A0A077ZMI4_TRITR Loading...

AP endonuclease

AlphaFold DB , UniProt , Accession A0A077ZMI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.4Very high97.9Very high141 Ų14134 Ų3470%0.69520%0.199SC*.  0134.30179.6173-177.500107.9Y3 D254 G255M1-Y3 HydrophobicContact CE-CD1 4.32Å; M1-Y3 HydrophobicContact CE-CE1 3.94Å; M1-Y3 HydrophobicContact CG-CE1 4.14Å; M1-Y3 HydrophobicContact SD-CE1 3.88Å; M1-D254 PolarHBondContact N-OD2 3.35Å; M1-G255 PolarHBondContact O-N 3.42Å
2K98.7Very high97.8Very high12 Ų1237.9 Ų37.95%0.05225%0.252CS..  trans-98145.9174.5-66-173.1163.670.20110.5I4 I247 M248 D250 D254 L258 Q279K2-I4 HydrophobicContact CB-CD1 4.33Å; K2-I4 HydrophobicContact CB-CG1 4.29Å; K2-I247 VanDerWaalsContact CE-O 3.25Å; K2-I247 WeakPolarHBondContact CE-O 3.45Å; K2-M248 HydrophobicContact CB-CE 4.21Å; K2-M248 HydrophobicContact CD-CE 3.4Å; K2-M248 HydrophobicContact CD-SD 3.94Å; K2-M248 VanDerWaalsContact CE-O 3.26Å; K2-M248 WeakPolarHBondContact CE-O 3.25Å; K2-M248 HydrophobicContact CG-CE 4.4Å; K2-M248 PolarHBondContact NZ-O 3Å; K2-D250 WeakPolarHBondContact CE-O 3.33Å; K2-D250 PolarHBondContact NZ-O 3.44Å; K2-D254 WeakPolarHBondContact CE-OD1 3.32Å; K2-D254 WeakPolarHBondContact CG-OD1 3.43Å; K2-D254 IonicContact NZ-OD1 3.5Å; K2-D254 PolarHBondContact NZ-OD1 2.98Å; K2-L258 HydrophobicContact CB-CD1 3.95Å; K2-L258 HydrophobicContact CD-CD1 3.87Å; K2-L258 HydrophobicContact CG-CD1 4.14Å; K2-Q279 HydrophobicContact CD-CG 4.49Å
3Y98.9Very high97.7Very high47 Ų4737.5 Ų37.518%0.18426%0.258CS..EExtended strand (participates in β ladder)trans-113.8113.3175-55.8-59.2000109M1 Q65 L258M1-Y3 HydrophobicContact CE-CD1 4.32Å; M1-Y3 HydrophobicContact CE-CE1 3.94Å; M1-Y3 HydrophobicContact CG-CE1 4.14Å; M1-Y3 HydrophobicContact SD-CE1 3.88Å; Y3-Q65 HydrophobicContact CD1-CG 3.71Å; Y3-Q65 HydrophobicContact CD2-CG 3.83Å; Y3-Q65 HydrophobicContact CE1-CG 3.87Å; Y3-Q65 HydrophobicContact CE2-CG 3.99Å; Y3-Q65 HydrophobicContact CG-CG 3.69Å; Y3-L258 WeakPolarHBondContact O-CB 3.19Å; Y3-L258 PolarHBondContact O-N 3.43Å
4I98.9Very high97.8Very high1 Ų135.9 Ų35.91%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-121133-167.4-52.8143.7000109.1K2 T27 A28 M248 L258 I272 L275 K276K2-I4 HydrophobicContact CB-CD1 4.33Å; K2-I4 HydrophobicContact CB-CG1 4.29Å; I4-T27 PolarHBondContact N-OG1 3.3Å; I4-T27 PolarHBondContact O-N 3.22Å; I4-T27 PolarHBondContact O-OG1 2.92Å; I4-A28 PolarHBondContact O-N 2.85Å; I4-M248 HydrophobicContact CD1-CE 3.34Å; I4-M248 HydrophobicContact CG1-CE 3.75Å; I4-L258 WeakPolarHBondContact CA-O 3.42Å; I4-L258 HydrophobicContact CG1-CD1 4.24Å; I4-I272 HydrophobicContact CG2-CG1 4.39Å; I4-I272 HydrophobicContact CG2-CG2 4.28Å; I4-L275 HydrophobicContact CG2-CB 4.06Å; I4-L275 HydrophobicContact CG2-CD1 3.64Å; I4-K276 HydrophobicContact CD1-CB 4.36Å; I4-K276 HydrophobicContact CD1-CG 3.46Å; I4-K276 VanDerWaalsContact CD1-CG 3.46Å
5G98.9Very high97.8Very high0 Ų034.3 Ų34.30%024%0.236CC..EExtended strand (participates in β ladder)trans-168.6-151.6176.300000113.3A28 L258 I259 L260G5-A28 VanDerWaalsContact CA-O 3.31Å; G5-A28 WeakPolarHBondContact CA-O 3.39Å; G5-L258 PolarHBondContact N-O 2.7Å; G5-I259 CarbonylContact O-C 3.58Å; G5-L260 WeakPolarHBondContact O-CB 3.23Å; G5-L260 WeakPolarHBondContact O-CG 3.33Å; G5-L260 PolarHBondContact O-N 2.89Å
6A98.9Very high97.9Very high0 Ų035.4 Ų35.40%024%0.238CC..EExtended strand (participates in β ladder)trans-139.8164.7-176.600000112.2V8 I24 F29 A30 L260 W268A6-V8 HydrophobicContact CB-CG1 4.24Å; A6-V8 PolarHBondContact O-N 2.67Å; A6-V8 VanDerWaalsContact O-N 3.14Å; A6-I24 HydrophobicContact CB-CD1 4.06Å; A6-F29 WeakPolarHBondContact O-CA 3.38Å; A6-A30 PolarHBondContact O-N 3.18Å; A6-L260 CarbonylContact C-O 3.38Å; A6-L260 VanDerWaalsContact CA-O 3.26Å; A6-L260 WeakPolarHBondContact CA-O 3.38Å; A6-L260 HydrophobicContact CB-CB 4Å; A6-W268 HydrophobicContact CB-CD2 3.63Å; A6-W268 HydrophobicContact CB-CE3 3.69Å; A6-W268 HydrophobicContact CB-CG 4.05Å; A6-W268 HydrophobicContact CB-CH2 4.45Å; A6-W268 HydrophobicContact CB-CZ2 4.41Å; A6-W268 HydrophobicContact CB-CZ3 4.11Å
7H98.8Very high97.9Very high25 Ų2533.3 Ų33.312%0.11622%0.224CC..EExtended strand (participates in β ladder)trans-79.389.4167.5-166.2147.3000110A30 F32 I259 L260 E261 W268H7-A30 HydrophobicContact CB-CB 3.88Å; H7-F32 AromaticContact CE1-CD2 3.86Å; H7-F32 AromaticContact CE1-CE1 3.74Å; H7-F32 AromaticContact CE1-CE2 3.46Å; H7-F32 VanDerWaalsContact CE1-CE2 3.46Å; H7-F32 WeakPolarHBondContact CE1-CE2 3.26Å; H7-F32 AromaticContact CE1-CZ 3.38Å; H7-F32 WeakPolarHBondContact CE1-CZ 3.26Å; H7-F32 AromaticContact NE2-CD2 3.37Å; H7-F32 WeakPolarHBondContact NE2-CD2 3.38Å; H7-F32 AromaticContact NE2-CE2 3.34Å; H7-F32 VanDerWaalsContact NE2-CE2 3.34Å; H7-F32 WeakPolarHBondContact NE2-CE2 3.39Å; H7-F32 AromaticContact NE2-CG 3.83Å; H7-F32 AromaticContact NE2-CZ 3.78Å; H7-F32 PolarHBondContact NE2-N 3.11Å; H7-I259 HydrophobicContact CB-CG2 4.16Å; H7-L260 PolarHBondContact N-O 2.98Å; H7-E261 HydrophobicContact CB-CG 3.99Å; H7-E261 IonicContact ND1-OE1 3.02Å; H7-E261 PolarHBondContact ND1-OE1 2.66Å; H7-W268 VanDerWaalsContact O-CH2 3.24Å; H7-W268 WeakPolarHBondContact O-CH2 3.45Å
8V98.7Very high98Very high5 Ų531.4 Ų31.43%0.0321%0.212CC..  trans-85.8156.1-173.7-640000112.3A6 A17 R20 A21 I24 F29 A30 W268A6-V8 HydrophobicContact CB-CG1 4.24Å; A6-V8 PolarHBondContact O-N 2.67Å; A6-V8 VanDerWaalsContact O-N 3.14Å; V8-A17 HydrophobicContact CG2-CB 3.93Å; V8-A17 WeakPolarHBondContact CG2-O 3.49Å; V8-R20 HydrophobicContact CB-CB 4.25Å; V8-A21 HydrophobicContact CG2-CB 4.34Å; V8-I24 HydrophobicContact CG1-CD1 3.96Å; V8-F29 HydrophobicContact CG2-CB 4.19Å; V8-F29 HydrophobicContact CG2-CD2 4.11Å; V8-F29 HydrophobicContact CG2-CG 4.49Å; V8-A30 PolarHBondContact N-O 2.78Å; V8-A30 VanDerWaalsContact N-O 3.08Å; V8-W268 HydrophobicContact CG1-CE3 4.46Å; V8-W268 HydrophobicContact CG1-CZ3 4.18Å
9S97.9Very high98Very high62 Ų6232.5 Ų32.543%0.43421%0.214SC..  trans-66.8139.1177.5-179.40000111.9A11 R20S9-A11 VanDerWaalsContact OG-CB 3.24Å; S9-A11 WeakPolarHBondContact OG-CB 3.37Å; S9-A11 PolarHBondContact OG-N 3.32Å; S9-A11 VanDerWaalsContact OG-N 3.07Å; S9-R20 WeakPolarHBondContact O-CD 3.34Å; S9-R20 PolarHBondContact O-NH1 3.3Å
10A97.7Very high98.1Very high26 Ų2634.4 Ų34.422%0.21522%0.217CC..  trans-98.615.9167.600000112.7G12 G13 L14 A17A10-G12 PolarHBondContact O-N 3.39Å; A10-G13 CarbonylContact O-C 3.59Å; A10-G13 PolarHBondContact O-N 3.37Å; A10-G13 VanDerWaalsContact O-O 3.06Å; A10-L14 HydrophobicContact CB-CD2 4.03Å; A10-A17 HydrophobicContact CB-CB 4.4Å
11A96.2Very high98.1Very high55 Ų5532.8 Ų32.846%0.45521%0.207SC..THydrogen-bonded Turntrans-58.5134.6179.900000111.4S9 G13 N16 R20S9-A11 VanDerWaalsContact OG-CB 3.24Å; S9-A11 WeakPolarHBondContact OG-CB 3.37Å; S9-A11 PolarHBondContact OG-N 3.32Å; S9-A11 VanDerWaalsContact OG-N 3.07Å; A11-G13 VanDerWaalsContact C-N 3.3Å; A11-N16 PolarHBondContact O-ND2 3.13Å; A11-R20 PolarHBondContact O-NH1 3.29Å; A11-R20 PolarHBondContact O-NH2 2.97Å
12G96.4Very high98.4Very high81 Ų8127.5 Ų27.584%0.83519%0.186SC*.THydrogen-bonded Turntrans80.21.8-175.500000115.1A10 N16A10-G12 PolarHBondContact O-N 3.39Å; G12-N16 VanDerWaalsContact C-ND2 3.31Å; G12-N16 PolarHBondContact O-ND2 3.11Å
13G96.7Very high98.4Very high33 Ų3333.8 Ų33.834%0.3422%0.216SC..  trans132.4152.2177.500000112.5A10 A11 A15 N16A10-G13 CarbonylContact O-C 3.59Å; A10-G13 PolarHBondContact O-N 3.37Å; A10-G13 VanDerWaalsContact O-O 3.06Å; A11-G13 VanDerWaalsContact C-N 3.3Å; G13-A15 VanDerWaalsContact C-N 3.29Å; G13-A15 PolarHBondContact O-N 2.97Å; G13-N16 WeakPolarHBondContact O-CB 3.11Å; G13-N16 PolarHBondContact O-N 3.34Å; G13-N16 VanDerWaalsContact O-N 3.09Å
14L98.5Very high98.4Very high14 Ų1432.9 Ų32.97%0.07321%0.214CC..THydrogen-bonded Turntrans-60.9-37.2-175.5-60.3-176.1000112.6A10 N16 A17 L31 L44 T48 F52 L101A10-L14 HydrophobicContact CB-CD2 4.03Å; L14-N16 PolarHBondContact O-N 3.16Å; L14-N16 VanDerWaalsContact O-N 3.16Å; L14-A17 VanDerWaalsContact O-CB 3.26Å; L14-A17 WeakPolarHBondContact O-CB 3.23Å; L14-A17 PolarHBondContact O-N 3.26Å; L14-L31 HydrophobicContact CD2-CD1 4.1Å; L14-L44 HydrophobicContact CD1-CD2 3.8Å; L14-T48 HydrophobicContact CB-CG2 4.46Å; L14-T48 HydrophobicContact CD1-CG2 3.98Å; L14-T48 HydrophobicContact CG-CG2 4.14Å; L14-F52 HydrophobicContact CB-CB 4.29Å; L14-F52 HydrophobicContact CB-CD2 3.8Å; L14-F52 HydrophobicContact CB-CG 4.3Å; L14-L101 HydrophobicContact CD1-CD1 3.72Å; L14-L101 HydrophobicContact CD1-CD2 3.79Å; L14-L101 HydrophobicContact CD1-CG 4.41Å
15A98.7Very high98.4Very high13 Ų1338 Ų3811%0.10724%0.241CC..Hα-helixtrans-57.3-29.9177.200000113.1G13 A17 A18 I19 E51 A55G13-A15 VanDerWaalsContact C-N 3.29Å; G13-A15 PolarHBondContact O-N 2.97Å; A15-A17 PolarHBondContact O-N 2.95Å; A15-A18 PolarHBondContact O-N 2.8Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 2.89Å; A15-E51 HydrophobicContact CB-CB 4.1Å; A15-E51 WeakPolarHBondContact CB-O 3.28Å; A15-A55 HydrophobicContact CB-CB 4.01Å
16N98.7Very high98.4Very high51 Ų5138.4 Ų38.427%0.27324%0.244SC..Hα-helixtrans-67.8-21177.2-65.6-19.7000112.8A11 G12 G13 L14 I19 R20A11-N16 PolarHBondContact O-ND2 3.13Å; G12-N16 VanDerWaalsContact C-ND2 3.31Å; G12-N16 PolarHBondContact O-ND2 3.11Å; G13-N16 WeakPolarHBondContact O-CB 3.11Å; G13-N16 PolarHBondContact O-N 3.34Å; G13-N16 VanDerWaalsContact O-N 3.09Å; L14-N16 PolarHBondContact O-N 3.16Å; L14-N16 VanDerWaalsContact O-N 3.16Å; N16-I19 PolarHBondContact O-N 2.73Å; N16-R20 VanDerWaalsContact CB-NH1 3.29Å; N16-R20 WeakPolarHBondContact O-CB 3.26Å; N16-R20 VanDerWaalsContact O-CG 3.23Å; N16-R20 WeakPolarHBondContact O-CG 3.25Å; N16-R20 PolarHBondContact O-N 3.33Å
17A98.9Very high98.4Very high0 Ų040 Ų400%025%0.254CS..Hα-helixtrans-63.8-48.4171.900000110.4V8 A10 L14 A15 I19 R20 A21 F29 L31V8-A17 HydrophobicContact CG2-CB 3.93Å; V8-A17 WeakPolarHBondContact CG2-O 3.49Å; A10-A17 HydrophobicContact CB-CB 4.4Å; L14-A17 VanDerWaalsContact O-CB 3.26Å; L14-A17 WeakPolarHBondContact O-CB 3.23Å; L14-A17 PolarHBondContact O-N 3.26Å; A15-A17 PolarHBondContact O-N 2.95Å; A17-I19 VanDerWaalsContact C-N 3.33Å; A17-I19 PolarHBondContact O-N 3.08Å; A17-R20 PolarHBondContact O-N 2.74Å; A17-A21 WeakPolarHBondContact O-CB 3.3Å; A17-A21 PolarHBondContact O-N 2.73Å; A17-F29 HydrophobicContact CB-CD2 4.31Å; A17-F29 HydrophobicContact CB-CE2 3.99Å; A17-L31 HydrophobicContact CB-CB 4.12Å; A17-L31 HydrophobicContact CB-CD1 3.94Å
18A98.9Very high98.4Very high0 Ų038.9 Ų38.90%025%0.249CC..Hα-helixtrans-62.9-38.1176.200000112.4A15 A22 F29 A55 Y61A15-A18 PolarHBondContact O-N 2.8Å; A18-A22 PolarHBondContact O-N 3.23Å; A18-F29 HydrophobicContact CB-CE1 4.3Å; A18-F29 HydrophobicContact CB-CZ 4.13Å; A18-A55 HydrophobicContact CB-CB 3.93Å; A18-Y61 HydrophobicContact CB-CD2 4.25Å; A18-Y61 HydrophobicContact CB-CE2 4.49Å
19I98.9Very high98.4Very high51 Ų5138.6 Ų38.626%0.26225%0.247SC..Hα-helixtrans-61.7-50.9174.6-63.2167.9000110.5A15 N16 A17 A21 A22 E23 Y59A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 2.89Å; N16-I19 PolarHBondContact O-N 2.73Å; A17-I19 VanDerWaalsContact C-N 3.33Å; A17-I19 PolarHBondContact O-N 3.08Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.45Å; I19-A22 WeakPolarHBondContact O-CB 3.47Å; I19-A22 PolarHBondContact O-N 3.18Å; I19-A22 VanDerWaalsContact O-N 3.1Å; I19-E23 HydrophobicContact CG2-CG 4.48Å; I19-E23 WeakPolarHBondContact O-CG 3.37Å; I19-E23 PolarHBondContact O-N 3.39Å; I19-Y59 HydrophobicContact CB-CE2 4.37Å; I19-Y59 HydrophobicContact CG1-CE2 3.77Å
20R98.8Very high98.4Very high71 Ų7135.7 Ų35.727%0.26823%0.227SC..Hα-helixtrans-63.6-37.6-180-73.3174.6-173.8113.37.1112.7V8 S9 A11 N16 A17 A22 E23 I24V8-R20 HydrophobicContact CB-CB 4.25Å; S9-R20 WeakPolarHBondContact O-CD 3.34Å; S9-R20 PolarHBondContact O-NH1 3.3Å; A11-R20 PolarHBondContact O-NH1 3.29Å; A11-R20 PolarHBondContact O-NH2 2.97Å; N16-R20 VanDerWaalsContact CB-NH1 3.29Å; N16-R20 WeakPolarHBondContact O-CB 3.26Å; N16-R20 VanDerWaalsContact O-CG 3.23Å; N16-R20 WeakPolarHBondContact O-CG 3.25Å; N16-R20 PolarHBondContact O-N 3.33Å; A17-R20 PolarHBondContact O-N 2.74Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-E23 PolarHBondContact O-N 3.41Å; R20-I24 PolarHBondContact O-N 2.86Å
21A98.9Very high98.5Very high0 Ų034.4 Ų34.40%022%0.216CC..Hα-helixtrans-60.5-43.7173.200000110.8V8 A17 I19 E23 I24 D25 A26 F29 Y61V8-A21 HydrophobicContact CG2-CB 4.34Å; A17-A21 WeakPolarHBondContact O-CB 3.3Å; A17-A21 PolarHBondContact O-N 2.73Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.45Å; A21-E23 PolarHBondContact O-N 3.31Å; A21-I24 VanDerWaalsContact O-CG1 3.24Å; A21-I24 WeakPolarHBondContact O-CG1 3.5Å; A21-I24 PolarHBondContact O-N 2.88Å; A21-D25 PolarHBondContact O-N 2.89Å; A21-A26 HydrophobicContact CB-CB 4.1Å; A21-A26 WeakPolarHBondContact O-CB 3.16Å; A21-A26 PolarHBondContact O-N 3.01Å; A21-F29 HydrophobicContact CB-CB 3.69Å; A21-F29 HydrophobicContact CB-CD1 4.01Å; A21-F29 HydrophobicContact CB-CG 3.93Å; A21-Y61 HydrophobicContact CB-CE2 4.07Å; A21-Y61 VanDerWaalsContact CB-OH 3.3Å; A21-Y61 WeakPolarHBondContact CB-OH 3.19Å; A21-Y61 PolarHBondContact O-OH 3.47Å
22A98.8Very high98.6Very high31 Ų3134.8 Ų34.826%0.25621%0.208SC..Hα-helixtrans-65.9-35.6176.500000113.1A18 I19 R20 I24 D25 Y59 Y61A18-A22 PolarHBondContact O-N 3.23Å; I19-A22 WeakPolarHBondContact O-CB 3.47Å; I19-A22 PolarHBondContact O-N 3.18Å; I19-A22 VanDerWaalsContact O-N 3.1Å; R20-A22 VanDerWaalsContact C-N 3.31Å; A22-I24 PolarHBondContact O-N 2.95Å; A22-D25 PolarHBondContact O-N 2.87Å; A22-D25 VanDerWaalsContact O-N 3.09Å; A22-Y59 HydrophobicContact CB-CD1 3.41Å; A22-Y59 VanDerWaalsContact CB-CD1 3.41Å; A22-Y59 HydrophobicContact CB-CD2 4.08Å; A22-Y59 HydrophobicContact CB-CE1 3.85Å; A22-Y59 HydrophobicContact CB-CE2 4.48Å; A22-Y59 HydrophobicContact CB-CG 3.54Å; A22-Y61 WeakPolarHBondContact CA-OH 3.05Å; A22-Y61 PolarHBondContact N-OH 2.86Å; A22-Y61 VanDerWaalsContact N-OH 3.11Å
23E98.8Very high98.6Very high144 Ų14431 Ų3167%0.67317%0.169SC*.Hα-helixtrans-62.4-27.5177.4-72.6168.6171.900113.3I19 R20 A21I19-E23 HydrophobicContact CG2-CG 4.48Å; I19-E23 WeakPolarHBondContact O-CG 3.37Å; I19-E23 PolarHBondContact O-N 3.39Å; R20-E23 PolarHBondContact O-N 3.41Å; A21-E23 PolarHBondContact O-N 3.31Å
24I98.8Very high98.4Very high28 Ų2830.3 Ų30.314%0.14416%0.156CC..THydrogen-bonded Turntrans-100.116.6176.366.1178.6000112.9A6 V8 R20 A21 A22 A26 W268 A269 I272A6-I24 HydrophobicContact CB-CD1 4.06Å; V8-I24 HydrophobicContact CG1-CD1 3.96Å; R20-I24 PolarHBondContact O-N 2.86Å; A21-I24 VanDerWaalsContact O-CG1 3.24Å; A21-I24 WeakPolarHBondContact O-CG1 3.5Å; A21-I24 PolarHBondContact O-N 2.88Å; A22-I24 PolarHBondContact O-N 2.95Å; I24-A26 HydrophobicContact CD1-CB 4.47Å; I24-A26 HydrophobicContact CG1-CB 4.06Å; I24-A26 PolarHBondContact O-N 3.48Å; I24-W268 HydrophobicContact CD1-CB 4.14Å; I24-W268 HydrophobicContact CD1-CE3 4.3Å; I24-A269 HydrophobicContact CB-CB 4.05Å; I24-A269 HydrophobicContact CG2-CB 4.31Å; I24-I272 HydrophobicContact CB-CD1 4.26Å; I24-I272 HydrophobicContact CD1-CD1 3.56Å; I24-I272 HydrophobicContact CG1-CD1 3.75Å
25D98.8Very high98Very high108 Ų10833.4 Ų33.458%0.57817%0.173SC*.THydrogen-bonded Turntrans55.233.2-178.2-168.152.5000113.3A21 A22 K276A21-D25 PolarHBondContact O-N 2.89Å; A22-D25 PolarHBondContact O-N 2.87Å; A22-D25 VanDerWaalsContact O-N 3.09Å; D25-K276 PolarHBondContact O-NZ 2.93Å; D25-K276 IonicContact OD2-NZ 2.73Å; D25-K276 PolarHBondContact OD2-NZ 3.47Å
26A98.9Very high97.6Very high9 Ų935.7 Ų35.77%0.07418%0.181CC..  trans-69.9152.7178.300000111.8A21 I24 A28 Y61 I272A21-A26 HydrophobicContact CB-CB 4.1Å; A21-A26 WeakPolarHBondContact O-CB 3.16Å; A21-A26 PolarHBondContact O-N 3.01Å; I24-A26 HydrophobicContact CD1-CB 4.47Å; I24-A26 HydrophobicContact CG1-CB 4.06Å; I24-A26 PolarHBondContact O-N 3.48Å; A26-A28 VanDerWaalsContact CB-O 3.28Å; A26-A28 WeakPolarHBondContact CB-O 3.44Å; A26-Y61 WeakPolarHBondContact O-CE1 3.4Å; A26-Y61 PolarHBondContact O-OH 3.24Å; A26-I272 HydrophobicContact CB-CD1 4.14Å
27T98.9Very high97Very high34 Ų3442.1 Ų42.121%0.20920%0.202CC..SBendtrans-118.3-3.4172.850.50000112.3I4 Q65I4-T27 PolarHBondContact N-OG1 3.3Å; I4-T27 PolarHBondContact O-N 3.22Å; I4-T27 PolarHBondContact O-OG1 2.92Å; T27-Q65 PolarHBondContact O-NE2 3Å
28A99Very high96.4Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-138166165.100000109.4I4 G5 A26 Q65 P257 I259I4-A28 PolarHBondContact O-N 2.85Å; G5-A28 VanDerWaalsContact CA-O 3.31Å; G5-A28 WeakPolarHBondContact CA-O 3.39Å; A26-A28 VanDerWaalsContact CB-O 3.28Å; A26-A28 WeakPolarHBondContact CB-O 3.44Å; A28-Q65 CarbonylContact C-O 3.56Å; A28-Q65 WeakPolarHBondContact CA-O 3.2Å; A28-Q65 WeakPolarHBondContact CB-O 3.17Å; A28-P257 HydrophobicContact CB-CB 4.05Å; A28-I259 HydrophobicContact CB-CD1 3.85Å
29F98.9Very high95.6Very high0 Ų052.4 Ų52.40%025%0.245CC..EExtended strand (participates in β ladder)trans-155.4158.3163.868.9-84.5000112.2A6 V8 A17 A18 A21 L31 F52 Y61 Q65 I66 L67A6-F29 WeakPolarHBondContact O-CA 3.38Å; V8-F29 HydrophobicContact CG2-CB 4.19Å; V8-F29 HydrophobicContact CG2-CD2 4.11Å; V8-F29 HydrophobicContact CG2-CG 4.49Å; A17-F29 HydrophobicContact CB-CD2 4.31Å; A17-F29 HydrophobicContact CB-CE2 3.99Å; A18-F29 HydrophobicContact CB-CE1 4.3Å; A18-F29 HydrophobicContact CB-CZ 4.13Å; A21-F29 HydrophobicContact CB-CB 3.69Å; A21-F29 HydrophobicContact CB-CD1 4.01Å; A21-F29 HydrophobicContact CB-CG 3.93Å; F29-L31 HydrophobicContact CD2-CD2 4.29Å; F29-L31 HydrophobicContact CE2-CD1 4.47Å; F29-L31 HydrophobicContact CE2-CD2 3.84Å; F29-F52 HydrophobicContact CE2-CE2 4.23Å; F29-F52 HydrophobicContact CE2-CZ 4.46Å; F29-F52 AromaticContact CZ-CE2 4Å; F29-F52 HydrophobicContact CZ-CE2 4Å; F29-F52 HydrophobicContact CZ-CZ 4.04Å; F29-Y61 AromaticContact CD1-CD1 3.84Å; F29-Y61 HydrophobicContact CD1-CD1 3.84Å; F29-Y61 HydrophobicContact CD1-CD2 4.09Å; F29-Y61 HydrophobicContact CD1-CE1 4.04Å; F29-Y61 HydrophobicContact CD1-CE2 4.28Å; F29-Y61 AromaticContact CD1-CG 3.86Å; F29-Y61 HydrophobicContact CD1-CG 3.86Å; F29-Y61 HydrophobicContact CE1-CD1 4.07Å; F29-Y61 AromaticContact CE1-CD2 3.74Å; F29-Y61 HydrophobicContact CE1-CD2 3.74Å; F29-Y61 HydrophobicContact CE1-CE2 4.31Å; F29-Y61 AromaticContact CE1-CG 3.61Å; F29-Y61 HydrophobicContact CE1-CG 3.61Å; F29-Q65 PolarHBondContact N-O 3.34Å; F29-I66 HydrophobicContact CD1-CG1 4.03Å; F29-I66 HydrophobicContact CD2-CG2 4.23Å; F29-I66 HydrophobicContact CE1-CB 4.46Å; F29-I66 HydrophobicContact CE1-CD1 3.58Å; F29-I66 HydrophobicContact CE1-CG1 3.49Å; F29-I66 VanDerWaalsContact CE1-CG1 3.49Å; F29-I66 HydrophobicContact CE1-CG2 4.25Å; F29-I66 HydrophobicContact CE2-CG2 3.84Å; F29-I66 HydrophobicContact CZ-CB 4.48Å; F29-I66 HydrophobicContact CZ-CD1 3.6Å; F29-I66 HydrophobicContact CZ-CG1 3.81Å; F29-I66 HydrophobicContact CZ-CG2 3.84Å; F29-I66 VanDerWaalsContact O-CA 3.3Å; F29-I66 WeakPolarHBondContact O-CA 3.46Å; F29-L67 PolarHBondContact O-N 3.36Å
30A98.9Very high94.9Very high0 Ų059.3 Ų59.30%027%0.268CS..EExtended strand (participates in β ladder)trans-112.8157.7167.100000110.4A6 H7 V8 L67 I259A6-A30 PolarHBondContact O-N 3.18Å; H7-A30 HydrophobicContact CB-CB 3.88Å; V8-A30 PolarHBondContact N-O 2.78Å; V8-A30 VanDerWaalsContact N-O 3.08Å; A30-L67 VanDerWaalsContact CA-O 3.27Å; A30-L67 WeakPolarHBondContact CA-O 3.22Å; A30-L67 WeakPolarHBondContact CB-O 3.38Å; A30-I259 HydrophobicContact CB-CD1 4.38Å; A30-I259 HydrophobicContact CB-CG1 4.21Å; A30-I259 HydrophobicContact CB-CG2 3.62Å
31L98.8Very high94.4Very high0 Ų057 Ų570%026%0.264CS..  trans-155.5159.7174.477.3165.7000111.1L14 A17 F29 F52 I66 P68 H69L14-L31 HydrophobicContact CD2-CD1 4.1Å; A17-L31 HydrophobicContact CB-CB 4.12Å; A17-L31 HydrophobicContact CB-CD1 3.94Å; F29-L31 HydrophobicContact CD2-CD2 4.29Å; F29-L31 HydrophobicContact CE2-CD1 4.47Å; F29-L31 HydrophobicContact CE2-CD2 3.84Å; L31-F52 HydrophobicContact CD1-CE2 4.09Å; L31-I66 HydrophobicContact CD2-CG2 3.9Å; L31-P68 HydrophobicContact CD2-CB 4.27Å; L31-P68 HydrophobicContact CD2-CG 4.24Å; L31-P68 WeakPolarHBondContact O-CA 3.44Å; L31-H69 PolarHBondContact O-N 2.99Å
32F98.2Very high94.1Very high62 Ų6260.6 Ų60.627%0.27229%0.294SS..BIsolated β-bridgetrans-86.8132.3159-62.6-66.1000109.4H7 K34 H69 D70H7-F32 AromaticContact CE1-CD2 3.86Å; H7-F32 AromaticContact CE1-CE1 3.74Å; H7-F32 AromaticContact CE1-CE2 3.46Å; H7-F32 VanDerWaalsContact CE1-CE2 3.46Å; H7-F32 WeakPolarHBondContact CE1-CE2 3.26Å; H7-F32 AromaticContact CE1-CZ 3.38Å; H7-F32 WeakPolarHBondContact CE1-CZ 3.26Å; H7-F32 AromaticContact NE2-CD2 3.37Å; H7-F32 WeakPolarHBondContact NE2-CD2 3.38Å; H7-F32 AromaticContact NE2-CE2 3.34Å; H7-F32 VanDerWaalsContact NE2-CE2 3.34Å; H7-F32 WeakPolarHBondContact NE2-CE2 3.39Å; H7-F32 AromaticContact NE2-CG 3.83Å; H7-F32 AromaticContact NE2-CZ 3.78Å; H7-F32 PolarHBondContact NE2-N 3.11Å; F32-K34 VanDerWaalsContact C-N 3.28Å; F32-K34 PolarHBondContact O-N 2.95Å; F32-H69 HydrophobicContact CD1-CB 4.13Å; F32-H69 VanDerWaalsContact CD1-O 3.27Å; F32-H69 WeakPolarHBondContact CD1-O 3.35Å; F32-H69 HydrophobicContact CE1-CB 3.78Å; F32-H69 AromaticContact CE1-CG 4Å; F32-D70 VanDerWaalsContact CE1-O 3.26Å; F32-D70 WeakPolarHBondContact CE1-O 3.48Å
33T96Very high94.1Very high2 Ų264.5 Ų64.51%0.01232%0.316CS..SBendtrans-78.6-15.5179.284.40000113P68 E94 R97 L101T33-P68 HydrophobicContact CG2-CB 4.17Å; T33-E94 PolarHBondContact OG1-OE2 2.94Å; T33-R97 PolarHBondContact O-NH2 3.1Å; T33-R97 WeakPolarHBondContact OG1-CD 3.47Å; T33-R97 PolarHBondContact OG1-NE 3.32Å; T33-L101 HydrophobicContact CG2-CD1 4.28Å
34K93.6Very high94Very high19 Ų1958.7 Ų58.78%0.08329%0.29CS..SBendtrans-151.7169.8179.854.1-177.1-100.9-85.10110.8F32 Q36 Q38 A41 E94F32-K34 VanDerWaalsContact C-N 3.28Å; F32-K34 PolarHBondContact O-N 2.95Å; K34-Q36 PolarHBondContact O-N 2.85Å; K34-Q38 WeakPolarHBondContact CE-O 3.38Å; K34-Q38 PolarHBondContact NZ-O 3.1Å; K34-A41 HydrophobicContact CB-CB 3.77Å; K34-A41 HydrophobicContact CD-CB 3.62Å; K34-A41 HydrophobicContact CG-CB 4.32Å; K34-E94 WeakPolarHBondContact CD-OE1 3.31Å; K34-E94 WeakPolarHBondContact CG-OE1 3.42Å; K34-E94 IonicContact NZ-OE1 3.04Å; K34-E94 PolarHBondContact NZ-OE1 3.4Å
35N90.9Very high94Very high78 Ų7860.9 Ų60.942%0.41731%0.305SS..  trans-64.9120.9174.3-174-47.5000110.1R37 Q38N35-R37 PolarHBondContact O-N 3.33Å; N35-R37 VanDerWaalsContact O-N 3.12Å; N35-R37 WeakPolarHBondContact OD1-CB 3.39Å; N35-R37 PolarHBondContact OD1-N 3.28Å; N35-Q38 PolarHBondContact O-N 3.31Å; N35-Q38 VanDerWaalsContact O-N 3.15Å
36Q88.5Confident94Very high61 Ų6161 Ų6129%0.28531%0.31SS..THydrogen-bonded Turntrans-63.3-18-176.264.5-779.500114.2K34 S71 Y72 L73K34-Q36 PolarHBondContact O-N 2.85Å; Q36-S71 PolarHBondContact O-OG 3.35Å; Q36-Y72 HydrophobicContact CB-CD1 4.17Å; Q36-Y72 HydrophobicContact CB-CE1 4.03Å; Q36-Y72 HydrophobicContact CG-CD1 3.86Å; Q36-Y72 HydrophobicContact CG-CE1 3.34Å; Q36-L73 VanDerWaalsContact O-CD1 3.26Å; Q36-L73 WeakPolarHBondContact O-CD1 3.28Å
37R86.9Confident94Very high186 Ų18666.5 Ų66.570%0.70233%0.334SS*.THydrogen-bonded Turntrans-85.9-5.1178.1-62.4-176176.9-1790.6114.4N35N35-R37 PolarHBondContact O-N 3.33Å; N35-R37 VanDerWaalsContact O-N 3.12Å; N35-R37 WeakPolarHBondContact OD1-CB 3.39Å; N35-R37 PolarHBondContact OD1-N 3.28Å
38Q86.7Confident93.9Very high103 Ų10366.8 Ų66.848%0.48134%0.336SS..  trans-107127-178.1-67.6-177.7-10.600111.3K34 N35K34-Q38 WeakPolarHBondContact CE-O 3.38Å; K34-Q38 PolarHBondContact NZ-O 3.1Å; N35-Q38 PolarHBondContact O-N 3.31Å; N35-Q38 VanDerWaalsContact O-N 3.15Å
39W81.4Confident93.9Very high113 Ų11367.8 Ų67.843%0.42834%0.341SS..SBendtrans-63.9-38.9175.2-83.695.6000112.9K86 A90W39-K86 HydrophobicContact CE3-CB 3.92Å; W39-K86 HydrophobicContact CH2-CB 3.77Å; W39-K86 HydrophobicContact CZ3-CB 3.45Å; W39-K86 VanDerWaalsContact CZ3-CB 3.45Å; W39-K86 VanDerWaalsContact CZ3-O 3.25Å; W39-K86 WeakPolarHBondContact CZ3-O 3.17Å; W39-A90 HydrophobicContact CE3-CB 4.09Å; W39-A90 HydrophobicContact CZ3-CB 4.32Å
40R84.2Confident93.9Very high196 Ų19672.6 Ų72.674%0.7437%0.366SS*.SBendtrans-128.9120.9178.7-65.8-178178.7178.8-2.7108.8D89R40-D89 IonicContact NH2-OD2 3.94Å
41A88.5Confident93.9Very high22 Ų2277 Ų7718%0.18239%0.387CS..PPolyproline II helixtrans-86.2160.2172.800000110.6K34K34-A41 HydrophobicContact CB-CB 3.77Å; K34-A41 HydrophobicContact CD-CB 3.62Å; K34-A41 HydrophobicContact CG-CB 4.32Å
42A93.6Very high93.9Very high77 Ų7777 Ų7764%0.63639%0.387SS*.PPolyproline II helixtrans-60.4143.8164.100000109.6R97A42-R97 PolarHBondContact O-NH1 2.96Å; A42-R97 VanDerWaalsContact O-NH1 3.15Å
43P97.1Very high94Very high112 Ų11277.6 Ų77.673%0.72739%0.389SS*.PPolyproline II helixtrans-52.6144.5172.8-26.134.7000111.3T45P43-T45 PolarHBondContact O-N 3.13Å
44L97.9Very high94.1Very high22 Ų2280.2 Ų80.212%0.11541%0.411CS..PPolyproline II helixtrans-61.3134.9170.7-73.4169.7000109.4L14 T48 I49 R97 Q100 L101L14-L44 HydrophobicContact CD1-CD2 3.8Å; L44-T48 HydrophobicContact CD2-CG2 3.8Å; L44-I49 HydrophobicContact CB-CD1 3.92Å; L44-I49 HydrophobicContact CB-CG1 3.94Å; L44-I49 HydrophobicContact CD1-CG1 4.25Å; L44-R97 HydrophobicContact CD1-CB 4.03Å; L44-R97 HydrophobicContact CD1-CG 4.06Å; L44-R97 HydrophobicContact CG-CG 4.46Å; L44-Q100 HydrophobicContact CD1-CB 4.17Å; L44-L101 HydrophobicContact CD1-CD1 4.13Å; L44-L101 HydrophobicContact CD1-CD2 4.01Å; L44-L101 HydrophobicContact CD1-CG 3.8Å
45T98.4Very high94.3Very high75 Ų7579.8 Ų79.846%0.4641%0.411SS..PPolyproline II helixtrans-82152.8169.762.80000109.3P43 Q47 T48 I49P43-T45 PolarHBondContact O-N 3.13Å; T45-Q47 PolarHBondContact O-N 3.04Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.13Å; T45-T48 PolarHBondContact OG1-N 3.23Å; T45-T48 VanDerWaalsContact OG1-N 3.16Å; T45-T48 PolarHBondContact OG1-OG1 3.04Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 2.7Å; T45-I49 VanDerWaalsContact O-N 3.09Å
46T98.3Very high94.7Very high111 Ų11176.5 Ų76.568%0.68139%0.394SS*.Hα-helixtrans-55.6-39.9173.251.10000111.3T48 I49 D50T46-T48 PolarHBondContact O-N 3.48Å; T46-I49 PolarHBondContact O-N 2.68Å; T46-D50 WeakPolarHBondContact O-CB 3.33Å; T46-D50 VanDerWaalsContact O-CG 3.25Å; T46-D50 PolarHBondContact O-N 3.05Å
47Q98.5Very high95.2Very high123 Ų12380.7 Ų80.758%0.57541%0.414SS*.Hα-helixtrans-56.6-49.7174.7-178177.5-0.500112.5T45 I49 D50 E51T45-Q47 PolarHBondContact O-N 3.04Å; Q47-I49 VanDerWaalsContact C-N 3.29Å; Q47-I49 PolarHBondContact O-N 2.81Å; Q47-D50 PolarHBondContact O-N 3.3Å; Q47-E51 HydrophobicContact CG-CG 4.35Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.42Å; Q47-E51 PolarHBondContact NE2-OE1 3.34Å; Q47-E51 WeakPolarHBondContact O-CB 3.47Å; Q47-E51 VanDerWaalsContact O-CG 3.26Å; Q47-E51 WeakPolarHBondContact O-CG 3.29Å; Q47-E51 PolarHBondContact O-N 3.06Å
48T98.5Very high95.8Very high41 Ų4178.6 Ų78.625%0.25241%0.41SS..Hα-helixtrans-61.8-38.7178.3-65.20000111.8L14 L44 T45 T46 F52L14-T48 HydrophobicContact CB-CG2 4.46Å; L14-T48 HydrophobicContact CD1-CG2 3.98Å; L14-T48 HydrophobicContact CG-CG2 4.14Å; L44-T48 HydrophobicContact CD2-CG2 3.8Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.13Å; T45-T48 PolarHBondContact OG1-N 3.23Å; T45-T48 VanDerWaalsContact OG1-N 3.16Å; T45-T48 PolarHBondContact OG1-OG1 3.04Å; T46-T48 PolarHBondContact O-N 3.48Å; T48-F52 WeakPolarHBondContact O-CB 3.2Å; T48-F52 PolarHBondContact O-N 2.78Å; T48-F52 VanDerWaalsContact O-N 3.1Å
49I98.8Very high96.4Very high21 Ų2177.4 Ų77.411%0.10840%0.401CS..Hα-helixtrans-65.2-48.9178.6-66.7163.8000110.3L44 T45 T46 Q47 F52 K53 Q100 L101L44-I49 HydrophobicContact CB-CD1 3.92Å; L44-I49 HydrophobicContact CB-CG1 3.94Å; L44-I49 HydrophobicContact CD1-CG1 4.25Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 2.7Å; T45-I49 VanDerWaalsContact O-N 3.09Å; T46-I49 PolarHBondContact O-N 2.68Å; Q47-I49 VanDerWaalsContact C-N 3.29Å; Q47-I49 PolarHBondContact O-N 2.81Å; I49-F52 PolarHBondContact O-N 3.12Å; I49-K53 HydrophobicContact CG2-CD 4.04Å; I49-K53 WeakPolarHBondContact O-CG 3.17Å; I49-K53 PolarHBondContact O-N 3.04Å; I49-Q100 HydrophobicContact CD1-CB 4.08Å; I49-Q100 WeakPolarHBondContact CG2-O 3.49Å; I49-L101 HydrophobicContact CG1-CD2 4.3Å
50D98.8Very high97.2Very high100 Ų10079.2 Ų79.254%0.53541%0.414SS..Hα-helixtrans-66.5-42.1-177.8-67.5-19.7000111.4T46 Q47 F52 K53 A54T46-D50 WeakPolarHBondContact O-CB 3.33Å; T46-D50 VanDerWaalsContact O-CG 3.25Å; T46-D50 PolarHBondContact O-N 3.05Å; Q47-D50 PolarHBondContact O-N 3.3Å; D50-F52 PolarHBondContact O-N 3.09Å; D50-K53 PolarHBondContact O-N 3.36Å; D50-A54 VanDerWaalsContact O-CB 3.23Å; D50-A54 WeakPolarHBondContact O-CB 3.31Å; D50-A54 PolarHBondContact O-N 2.81Å
51E98.8Very high97.9Very high92 Ų9270.5 Ų70.543%0.4338%0.381SS..Hα-helixtrans-61.3-42.9175.5-74.5172.5-175.800111.8A15 Q47 A55A15-E51 HydrophobicContact CB-CB 4.1Å; A15-E51 WeakPolarHBondContact CB-O 3.28Å; Q47-E51 HydrophobicContact CG-CG 4.35Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.42Å; Q47-E51 PolarHBondContact NE2-OE1 3.34Å; Q47-E51 WeakPolarHBondContact O-CB 3.47Å; Q47-E51 VanDerWaalsContact O-CG 3.26Å; Q47-E51 WeakPolarHBondContact O-CG 3.29Å; Q47-E51 PolarHBondContact O-N 3.06Å; E51-A55 WeakPolarHBondContact O-CB 3.36Å; E51-A55 PolarHBondContact O-N 3.12Å
52F98.9Very high98.4Very high2 Ų273 Ų731%0.00940%0.395CS..Hα-helixtrans-64.4-47.7177.1177.1-101.1000111.8L14 F29 L31 T48 I49 D50 A55 C56 I66 L101 L103L14-F52 HydrophobicContact CB-CB 4.29Å; L14-F52 HydrophobicContact CB-CD2 3.8Å; L14-F52 HydrophobicContact CB-CG 4.3Å; F29-F52 HydrophobicContact CE2-CE2 4.23Å; F29-F52 HydrophobicContact CE2-CZ 4.46Å; F29-F52 AromaticContact CZ-CE2 4Å; F29-F52 HydrophobicContact CZ-CE2 4Å; F29-F52 HydrophobicContact CZ-CZ 4.04Å; L31-F52 HydrophobicContact CD1-CE2 4.09Å; T48-F52 WeakPolarHBondContact O-CB 3.2Å; T48-F52 PolarHBondContact O-N 2.78Å; T48-F52 VanDerWaalsContact O-N 3.1Å; I49-F52 PolarHBondContact O-N 3.12Å; D50-F52 PolarHBondContact O-N 3.09Å; F52-A55 PolarHBondContact O-N 2.59Å; F52-C56 VanDerWaalsContact CZ-SG 3.52Å; F52-C56 PolarHBondContact O-N 3.04Å; F52-C56 PolarHBondContact O-SG 3.02Å; F52-I66 HydrophobicContact CZ-CD1 4.27Å; F52-L101 HydrophobicContact CB-CD2 4.09Å; F52-L101 HydrophobicContact CD1-CB 4.02Å; F52-L101 HydrophobicContact CD1-CD2 3.75Å; F52-L101 HydrophobicContact CD1-CG 4.38Å; F52-L101 HydrophobicContact CE1-CB 4.04Å; F52-L101 HydrophobicContact CE1-CD2 4.45Å; F52-L101 HydrophobicContact CG-CD2 4.02Å; F52-L103 HydrophobicContact CE1-CD1 4.24Å; F52-L103 HydrophobicContact CE1-CD2 3.77Å; F52-L103 HydrophobicContact CE1-CG 4.18Å; F52-L103 HydrophobicContact CZ-CD1 4.28Å; F52-L103 HydrophobicContact CZ-CD2 3.95Å
53K98.9Very high98.6Very high74 Ų7471.7 Ų71.732%0.32238%0.381SS..Hα-helixtrans-62-46.1178.6-72.9178.8-178.8174.20111.5I49 D50 A55 C56 E57 Q100 L101I49-K53 HydrophobicContact CG2-CD 4.04Å; I49-K53 WeakPolarHBondContact O-CG 3.17Å; I49-K53 PolarHBondContact O-N 3.04Å; D50-K53 PolarHBondContact O-N 3.36Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 2.97Å; K53-C56 PolarHBondContact O-N 3.03Å; K53-E57 WeakPolarHBondContact O-CG 3.43Å; K53-E57 PolarHBondContact O-N 2.99Å; K53-Q100 VanDerWaalsContact CE-O 3.29Å; K53-Q100 WeakPolarHBondContact CE-O 3.47Å; K53-Q100 PolarHBondContact NZ-O 3.4Å; K53-L101 VanDerWaalsContact CE-C 3.42Å; K53-L101 VanDerWaalsContact CE-O 3.26Å; K53-L101 WeakPolarHBondContact CE-O 3.48Å
54A98.9Very high98.7Very high56 Ų5668.3 Ų68.346%0.46336%0.362SS..Hα-helixtrans-61.5-38.9177.400000112.4D50 K58D50-A54 VanDerWaalsContact O-CB 3.23Å; D50-A54 WeakPolarHBondContact O-CB 3.31Å; D50-A54 PolarHBondContact O-N 2.81Å; A54-K58 VanDerWaalsContact O-CB 3.23Å; A54-K58 WeakPolarHBondContact O-CB 3.46Å; A54-K58 PolarHBondContact O-N 3.12Å
55A98.9Very high98.8Very high10 Ų1068.1 Ų68.18%0.08336%0.361CS..Hα-helixtrans-66.4-43.2174.500000111.9A15 A18 E51 F52 K53 K58 Y59A15-A55 HydrophobicContact CB-CB 4.01Å; A18-A55 HydrophobicContact CB-CB 3.93Å; E51-A55 WeakPolarHBondContact O-CB 3.36Å; E51-A55 PolarHBondContact O-N 3.12Å; F52-A55 PolarHBondContact O-N 2.59Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 2.97Å; A55-K58 PolarHBondContact O-N 3.08Å; A55-Y59 WeakPolarHBondContact O-CD2 3.4Å; A55-Y59 PolarHBondContact O-N 3.03Å; A55-Y59 VanDerWaalsContact O-N 3.11Å
56C98.9Very high98.8Very high9 Ų964.7 Ų64.76%0.06134%0.339CS..Hα-helixtrans-61.3-45.6176.4-67.50000111.9F52 K53 Y59 H60 Y61F52-C56 VanDerWaalsContact CZ-SG 3.52Å; F52-C56 PolarHBondContact O-N 3.04Å; F52-C56 PolarHBondContact O-SG 3.02Å; K53-C56 PolarHBondContact O-N 3.03Å; C56-Y59 CarbonylContact O-C 3.6Å; C56-Y59 PolarHBondContact O-N 3.05Å; C56-H60 PolarHBondContact O-N 3.33Å; C56-Y61 PolarHBondContact O-N 3.48Å
57E98.8Very high98.8Very high150 Ų15059.4 Ų59.470%0.70131%0.307SS*.Hα-helixtrans-62.2-44.9176.1-73175.6-166.100112K53 Y59 H60K53-E57 WeakPolarHBondContact O-CG 3.43Å; K53-E57 PolarHBondContact O-N 2.99Å; E57-Y59 VanDerWaalsContact C-N 3.27Å; E57-Y59 PolarHBondContact O-N 3.12Å; E57-H60 PolarHBondContact O-N 3.36Å
58K98.8Very high98.8Very high141 Ų14153.5 Ų53.561%0.61328%0.28SS*.Hα-helixtrans-58-38.5178.7178-175.8175.7101.40112.6A54 A55A54-K58 VanDerWaalsContact O-CB 3.23Å; A54-K58 WeakPolarHBondContact O-CB 3.46Å; A54-K58 PolarHBondContact O-N 3.12Å; A55-K58 PolarHBondContact O-N 3.08Å
59Y98.8Very high98.8Very high78 Ų7852.3 Ų52.331%0.30627%0.271SS..THydrogen-bonded Turntrans-105.214.4-176.8-59.8-64.1000113.7I19 A22 A55 C56 E57 Y61I19-Y59 HydrophobicContact CB-CE2 4.37Å; I19-Y59 HydrophobicContact CG1-CE2 3.77Å; A22-Y59 HydrophobicContact CB-CD1 3.41Å; A22-Y59 VanDerWaalsContact CB-CD1 3.41Å; A22-Y59 HydrophobicContact CB-CD2 4.08Å; A22-Y59 HydrophobicContact CB-CE1 3.85Å; A22-Y59 HydrophobicContact CB-CE2 4.48Å; A22-Y59 HydrophobicContact CB-CG 3.54Å; A55-Y59 WeakPolarHBondContact O-CD2 3.4Å; A55-Y59 PolarHBondContact O-N 3.03Å; A55-Y59 VanDerWaalsContact O-N 3.11Å; C56-Y59 CarbonylContact O-C 3.6Å; C56-Y59 PolarHBondContact O-N 3.05Å; E57-Y59 VanDerWaalsContact C-N 3.27Å; E57-Y59 PolarHBondContact O-N 3.12Å; Y59-Y61 PolarHBondContact O-N 2.98Å
60H98.7Very high98.8Very high152 Ų15251.5 Ų51.570%0.70427%0.267SS*.THydrogen-bonded Turntrans62.536.9173.1-46.9-59.2000115.4C56 E57 Q65C56-H60 PolarHBondContact O-N 3.33Å; E57-H60 PolarHBondContact O-N 3.36Å; H60-Q65 PolarHBondContact O-NE2 2.99Å; H60-Q65 PolarHBondContact O-OE1 2.87Å
61Y98.9Very high98.6Very high12 Ų1246.9 Ų46.95%0.04724%0.242CC..  trans-96.9108.4170.2-59.3-66.8000110.6A18 A21 A22 A26 F29 C56 Y59A18-Y61 HydrophobicContact CB-CD2 4.25Å; A18-Y61 HydrophobicContact CB-CE2 4.49Å; A21-Y61 HydrophobicContact CB-CE2 4.07Å; A21-Y61 VanDerWaalsContact CB-OH 3.3Å; A21-Y61 WeakPolarHBondContact CB-OH 3.19Å; A21-Y61 PolarHBondContact O-OH 3.47Å; A22-Y61 WeakPolarHBondContact CA-OH 3.05Å; A22-Y61 PolarHBondContact N-OH 2.86Å; A22-Y61 VanDerWaalsContact N-OH 3.11Å; A26-Y61 WeakPolarHBondContact O-CE1 3.4Å; A26-Y61 PolarHBondContact O-OH 3.24Å; F29-Y61 AromaticContact CD1-CD1 3.84Å; F29-Y61 HydrophobicContact CD1-CD1 3.84Å; F29-Y61 HydrophobicContact CD1-CD2 4.09Å; F29-Y61 HydrophobicContact CD1-CE1 4.04Å; F29-Y61 HydrophobicContact CD1-CE2 4.28Å; F29-Y61 AromaticContact CD1-CG 3.86Å; F29-Y61 HydrophobicContact CD1-CG 3.86Å; F29-Y61 HydrophobicContact CE1-CD1 4.07Å; F29-Y61 AromaticContact CE1-CD2 3.74Å; F29-Y61 HydrophobicContact CE1-CD2 3.74Å; F29-Y61 HydrophobicContact CE1-CE2 4.31Å; F29-Y61 AromaticContact CE1-CG 3.61Å; F29-Y61 HydrophobicContact CE1-CG 3.61Å; C56-Y61 PolarHBondContact O-N 3.48Å; Y59-Y61 PolarHBondContact O-N 2.98Å
62T98.9Very high98.2Very high76 Ų7649.3 Ų49.347%0.46625%0.249SC..  trans-83.2166.2168.5690000110.8A64 Q65T62-A64 PolarHBondContact O-N 2.97Å; T62-A64 VanDerWaalsContact O-N 3.08Å; T62-Q65 WeakPolarHBondContact O-CB 3.36Å; T62-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 PolarHBondContact OG1-OE1 3.45Å
63S98.8Very high97.9Very high49 Ų4952.5 Ų52.534%0.34327%0.266SS..G310 helixtrans-60.6-19.4178.463.80000114.4Q65 G102 S104S63-Q65 VanDerWaalsContact C-N 3.29Å; S63-G102 VanDerWaalsContact CB-O 3.26Å; S63-G102 WeakPolarHBondContact CB-O 3.3Å; S63-S104 PolarHBondContact O-OG 3.07Å
64A98.6Very high97.9Very high41 Ų4149.7 Ų49.734%0.33925%0.254SS..G310 helixtrans-78.5-12.2175.800000113.4T62 P257T62-A64 PolarHBondContact O-N 2.97Å; T62-A64 VanDerWaalsContact O-N 3.08Å; A64-P257 WeakPolarHBondContact O-CD 3.26Å; A64-P257 WeakPolarHBondContact O-CG 3.37Å
65Q98.9Very high97.9Very high18 Ų1847.7 Ų47.78%0.08424%0.235CC..G310 helixtrans-104.5-0.1-177-67164-9000112.6Y3 T27 A28 F29 H60 T62 S63Y3-Q65 HydrophobicContact CD1-CG 3.71Å; Y3-Q65 HydrophobicContact CD2-CG 3.83Å; Y3-Q65 HydrophobicContact CE1-CG 3.87Å; Y3-Q65 HydrophobicContact CE2-CG 3.99Å; Y3-Q65 HydrophobicContact CG-CG 3.69Å; T27-Q65 PolarHBondContact O-NE2 3Å; A28-Q65 CarbonylContact C-O 3.56Å; A28-Q65 WeakPolarHBondContact CA-O 3.2Å; A28-Q65 WeakPolarHBondContact CB-O 3.17Å; F29-Q65 PolarHBondContact N-O 3.34Å; H60-Q65 PolarHBondContact O-NE2 2.99Å; H60-Q65 PolarHBondContact O-OE1 2.87Å; T62-Q65 WeakPolarHBondContact O-CB 3.36Å; T62-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 PolarHBondContact OG1-OE1 3.45Å; S63-Q65 VanDerWaalsContact C-N 3.29Å
66I98.9Very high97.9Very high2 Ų247.2 Ų47.21%0.0123%0.232CC..BIsolated β-bridgetrans-119.2124.8-173.4-51172.9000108.5F29 L31 F52 P68 L103F29-I66 HydrophobicContact CD1-CG1 4.03Å; F29-I66 HydrophobicContact CD2-CG2 4.23Å; F29-I66 HydrophobicContact CE1-CB 4.46Å; F29-I66 HydrophobicContact CE1-CD1 3.58Å; F29-I66 HydrophobicContact CE1-CG1 3.49Å; F29-I66 VanDerWaalsContact CE1-CG1 3.49Å; F29-I66 HydrophobicContact CE1-CG2 4.25Å; F29-I66 HydrophobicContact CE2-CG2 3.84Å; F29-I66 HydrophobicContact CZ-CB 4.48Å; F29-I66 HydrophobicContact CZ-CD1 3.6Å; F29-I66 HydrophobicContact CZ-CG1 3.81Å; F29-I66 HydrophobicContact CZ-CG2 3.84Å; F29-I66 VanDerWaalsContact O-CA 3.3Å; F29-I66 WeakPolarHBondContact O-CA 3.46Å; L31-I66 HydrophobicContact CD2-CG2 3.9Å; F52-I66 HydrophobicContact CZ-CD1 4.27Å; I66-P68 HydrophobicContact CG2-CG 4.33Å; I66-P68 WeakPolarHBondContact O-CD 3.36Å; I66-L103 HydrophobicContact CB-CD2 3.92Å; I66-L103 HydrophobicContact CD1-CD2 3.66Å; I66-L103 HydrophobicContact CG1-CD2 4.38Å; I66-L103 HydrophobicContact CG2-CD2 3.79Å
67L98.9Very high97.9Very high0 Ų046.8 Ų46.80%023%0.229CC..  trans-119.381.4179.5-170.365.4000109.9F29 A30 L105 N107 V143 P257 I259F29-L67 PolarHBondContact O-N 3.36Å; A30-L67 VanDerWaalsContact CA-O 3.27Å; A30-L67 WeakPolarHBondContact CA-O 3.22Å; A30-L67 WeakPolarHBondContact CB-O 3.38Å; L67-L105 HydrophobicContact CD1-CB 3.9Å; L67-L105 HydrophobicContact CD1-CD1 3.82Å; L67-L105 HydrophobicContact CD1-CG 4.48Å; L67-N107 HydrophobicContact CD1-CB 3.98Å; L67-N107 HydrophobicContact CD2-CB 4.36Å; L67-N107 HydrophobicContact CG-CB 3.9Å; L67-V143 HydrophobicContact CD1-CG1 4.43Å; L67-V143 HydrophobicContact CD1-CG2 4.43Å; L67-P257 HydrophobicContact CB-CB 3.85Å; L67-P257 HydrophobicContact CB-CG 4.03Å; L67-I259 HydrophobicContact CB-CG1 4.23Å; L67-I259 HydrophobicContact CD2-CG1 4.21Å
68P98.9Very high97.9Very high0 Ų041.4 Ų41.40%020%0.203CC..  trans-58.8145.3175.6-19.533.6000110.5L31 T33 I66 L103 L105 L106 N107L31-P68 HydrophobicContact CD2-CB 4.27Å; L31-P68 HydrophobicContact CD2-CG 4.24Å; L31-P68 WeakPolarHBondContact O-CA 3.44Å; T33-P68 HydrophobicContact CG2-CB 4.17Å; I66-P68 HydrophobicContact CG2-CG 4.33Å; I66-P68 WeakPolarHBondContact O-CD 3.36Å; P68-L103 HydrophobicContact CG-CB 4.28Å; P68-L103 HydrophobicContact CG-CD1 3.52Å; P68-L103 HydrophobicContact CG-CG 4.36Å; P68-L105 WeakPolarHBondContact CD-O 3.34Å; P68-L105 WeakPolarHBondContact CG-O 3.37Å; P68-L106 HydrophobicContact CB-CD1 4.09Å; P68-N107 WeakPolarHBondContact O-CB 3.39Å; P68-N107 PolarHBondContact O-N 2.84Å
69H98.7Very high97.8Very high16 Ų1635.3 Ų35.37%0.07418%0.178CC..BIsolated β-bridgetrans-110.5139.6173.8-160-51.3000109.8L31 F32 N107 H109 E145 H216 E261L31-H69 PolarHBondContact O-N 2.99Å; F32-H69 HydrophobicContact CD1-CB 4.13Å; F32-H69 VanDerWaalsContact CD1-O 3.27Å; F32-H69 WeakPolarHBondContact CD1-O 3.35Å; F32-H69 HydrophobicContact CE1-CB 3.78Å; F32-H69 AromaticContact CE1-CG 4Å; H69-N107 CarbonylContact C-O 3.41Å; H69-N107 WeakPolarHBondContact CA-O 3.31Å; H69-N107 PolarHBondContact CD2-ND2 2.76Å; H69-N107 PolarHBondContact NE2-ND2 2.86Å; H69-H109 AromaticContact NE2-CD2 3.88Å; H69-H109 AromaticContact NE2-NE2 3.83Å; H69-E145 IonicContact CD2-OE2 3.4Å; H69-E145 IonicContact NE2-OE2 3.25Å; H69-E145 PolarHBondContact NE2-OE2 3.25Å; H69-H216 AromaticContact CD2-CE1 3.93Å; H69-E261 IonicContact CD2-OE1 3.1Å
70D97.8Very high97.8Very high3 Ų334.9 Ų34.92%0.01618%0.184CC..  trans-76177.4173.788.9-28.9000112.8F32 I74 E94 L106 N107 F108F32-D70 VanDerWaalsContact CE1-O 3.26Å; F32-D70 WeakPolarHBondContact CE1-O 3.48Å; D70-I74 HydrophobicContact CB-CD1 4.23Å; D70-I74 WeakPolarHBondContact OD2-CD1 3.32Å; D70-E94 HydrophobicContact CB-CG 4.4Å; D70-L106 HydrophobicContact CB-CD1 4.15Å; D70-L106 HydrophobicContact CB-CD2 4.49Å; D70-L106 HydrophobicContact CB-CG 4.47Å; D70-N107 PolarHBondContact N-O 3.14Å; D70-F108 HydrophobicContact CB-CB 4.06Å; D70-F108 WeakPolarHBondContact OD1-CA 2.96Å; D70-F108 WeakPolarHBondContact OD1-CB 3.19Å; D70-F108 WeakPolarHBondContact OD2-CB 3.44Å
71S95Very high97.8Very high3 Ų331.5 Ų31.52%0.02117%0.174CC..  trans-76.7133.9176.4170.10000112.2Q36 L73 I74Q36-S71 PolarHBondContact O-OG 3.35Å; S71-L73 PolarHBondContact O-N 2.88Å; S71-L73 WeakPolarHBondContact OG-CB 3.31Å; S71-L73 PolarHBondContact OG-N 3.21Å; S71-L73 VanDerWaalsContact OG-N 3.08Å; S71-I74 WeakPolarHBondContact O-CB 3.38Å; S71-I74 PolarHBondContact O-N 3.09Å
72Y91.1Very high97.8Very high144 Ų14437.1 Ų37.157%0.56520%0.2SC*.THydrogen-bonded Turntrans-57.8-10.6170.368.7-104000115.1Q36 I74Q36-Y72 HydrophobicContact CB-CD1 4.17Å; Q36-Y72 HydrophobicContact CB-CE1 4.03Å; Q36-Y72 HydrophobicContact CG-CD1 3.86Å; Q36-Y72 HydrophobicContact CG-CE1 3.34Å; Y72-I74 VanDerWaalsContact C-N 3.34Å
73L92.4Very high97.8Very high69 Ų6934.6 Ų34.636%0.36119%0.187SC..THydrogen-bonded Turntrans-79.1-18.1173.8-65.4-176.9000113Q36 S71Q36-L73 VanDerWaalsContact O-CD1 3.26Å; Q36-L73 WeakPolarHBondContact O-CD1 3.28Å; S71-L73 PolarHBondContact O-N 2.88Å; S71-L73 WeakPolarHBondContact OG-CB 3.31Å; S71-L73 PolarHBondContact OG-N 3.21Å; S71-L73 VanDerWaalsContact OG-N 3.08Å
74I97.8Very high97.8Very high15 Ų1532.4 Ų32.48%0.07717%0.172CC..  trans-74.3127.5-179.8-65.5175.3000108.4D70 S71 Y72 L76 A90 F91 E94D70-I74 HydrophobicContact CB-CD1 4.23Å; D70-I74 WeakPolarHBondContact OD2-CD1 3.32Å; S71-I74 WeakPolarHBondContact O-CB 3.38Å; S71-I74 PolarHBondContact O-N 3.09Å; Y72-I74 VanDerWaalsContact C-N 3.34Å; I74-L76 HydrophobicContact CG2-CD2 3.56Å; I74-L76 HydrophobicContact CG2-CG 3.86Å; I74-A90 HydrophobicContact CD1-CB 4.04Å; I74-A90 HydrophobicContact CG1-CB 4.06Å; I74-F91 HydrophobicContact CD1-CB 4.27Å; I74-F91 HydrophobicContact CD1-CD2 4.41Å; I74-F91 HydrophobicContact CG2-CB 4.18Å; I74-F91 HydrophobicContact CG2-CD2 4.32Å; I74-E94 HydrophobicContact CD1-CG 4.12Å
75N98.5Very high97.8Very high14 Ų1434.2 Ų34.28%0.07517%0.173CC..  trans-128.796.2171.4179.93.2000108.8G77 H78 S87 G111 S112N75-G77 PolarHBondContact O-N 3.38Å; N75-G77 WeakPolarHBondContact OD1-CA 3.33Å; N75-G77 PolarHBondContact OD1-N 3.46Å; N75-H78 HydrophobicContact CB-CB 4.12Å; N75-H78 WeakPolarHBondContact O-CB 3.49Å; N75-H78 PolarHBondContact O-N 3.13Å; N75-H78 VanDerWaalsContact O-N 3.17Å; N75-H78 PolarHBondContact OD1-N 3.29Å; N75-S87 PolarHBondContact N-OG 2.96Å; N75-S87 VanDerWaalsContact N-OG 3.07Å; N75-S87 WeakPolarHBondContact O-CB 3.31Å; N75-G111 WeakPolarHBondContact OD1-CA 3.36Å; N75-S112 PolarHBondContact ND2-O 3.31Å; N75-S112 PolarHBondContact ND2-OG 2.86Å; N75-S112 PolarHBondContact OD1-N 3.46Å; N75-S112 PolarHBondContact OD1-O 3.23Å
76L98.9Very high97.7Very high0 Ų037.8 Ų37.80%019%0.188CC..THydrogen-bonded Turntrans-72.7-6.2-179.4-59.9-172.1000113.6I74 L84 F91 F108 R125 I126 S129I74-L76 HydrophobicContact CG2-CD2 3.56Å; I74-L76 HydrophobicContact CG2-CG 3.86Å; L76-L84 WeakPolarHBondContact O-CD1 3.31Å; L76-F91 HydrophobicContact CD1-CD1 3.89Å; L76-F91 HydrophobicContact CD1-CD2 4.04Å; L76-F91 HydrophobicContact CD1-CE1 3.99Å; L76-F91 HydrophobicContact CD1-CE2 4.14Å; L76-F91 HydrophobicContact CD1-CG 3.92Å; L76-F91 HydrophobicContact CD1-CZ 4.12Å; L76-F91 HydrophobicContact CD2-CB 3.79Å; L76-F91 HydrophobicContact CD2-CD1 4.41Å; L76-F91 HydrophobicContact CD2-CG 4.01Å; L76-F91 HydrophobicContact CG-CG 4.49Å; L76-F108 HydrophobicContact CD1-CD2 3.93Å; L76-F108 HydrophobicContact CD1-CE2 3.69Å; L76-F108 HydrophobicContact CD1-CZ 4.42Å; L76-R125 CarbonylContact O-C 3.14Å; L76-I126 HydrophobicContact CB-CG1 4.28Å; L76-I126 HydrophobicContact CB-CG2 4.36Å; L76-I126 WeakPolarHBondContact O-CA 3.26Å; L76-I126 PolarHBondContact O-N 3.28Å; L76-S129 PolarHBondContact O-OG 3.37Å
77G98.8Very high97.7Very high0 Ų037.7 Ų37.70%019%0.188CC..THydrogen-bonded Turntrans-107.713.1173.500000113.5N75 C122 I126N75-G77 PolarHBondContact O-N 3.38Å; N75-G77 WeakPolarHBondContact OD1-CA 3.33Å; N75-G77 PolarHBondContact OD1-N 3.46Å; G77-C122 PolarHBondContact O-SG 3.25Å; G77-I126 VanDerWaalsContact CA-CG1 3.49Å
78H98.8Very high97.6Very high37 Ų3738.9 Ų38.917%0.17119%0.192CC..  trans-56.1131-171-161-71.7000111.7N75 V80 A83 L84 R125N75-H78 HydrophobicContact CB-CB 4.12Å; N75-H78 WeakPolarHBondContact O-CB 3.49Å; N75-H78 PolarHBondContact O-N 3.13Å; N75-H78 VanDerWaalsContact O-N 3.17Å; N75-H78 PolarHBondContact OD1-N 3.29Å; H78-V80 PolarHBondContact ND1-N 2.62Å; H78-V80 VanDerWaalsContact ND1-N 3.14Å; H78-V80 PolarHBondContact ND1-O 3.42Å; H78-A83 VanDerWaalsContact CE1-CB 3.42Å; H78-A83 WeakPolarHBondContact CE1-CB 3.37Å; H78-A83 WeakPolarHBondContact ND1-CB 3.44Å; H78-L84 HydrophobicContact CB-CB 4.08Å; H78-L84 HydrophobicContact CB-CD1 4.44Å; H78-R125 PolarHBondContact O-NH1 2.97Å
79P98.6Very high97.6Very high13 Ų1342.8 Ų42.88%0.08421%0.213CC..SBendtrans-69.9-36.6-175.825.2-34.7000113T81 L114 Q116 I117 R125P79-T81 PolarHBondContact O-N 2.82Å; P79-L114 HydrophobicContact CG-CB 3.99Å; P79-L114 HydrophobicContact CG-CD1 3.96Å; P79-L114 HydrophobicContact CG-CG 4.15Å; P79-Q116 HydrophobicContact CB-CB 3.64Å; P79-Q116 HydrophobicContact CG-CB 3.79Å; P79-Q116 HydrophobicContact CG-CG 4.42Å; P79-I117 HydrophobicContact CB-CB 4.47Å; P79-I117 HydrophobicContact CB-CD1 4.13Å; P79-I117 HydrophobicContact CB-CG1 4.05Å; P79-I117 HydrophobicContact CB-CG2 3.78Å; P79-R125 PolarHBondContact O-NH1 3.43Å
80V98.6Very high97.6Very high69 Ų6942.2 Ų42.242%0.41821%0.211SC..SBendtrans-78.9115.7175.6-175.50000109.8H78 E82 A83 L84H78-V80 PolarHBondContact ND1-N 2.62Å; H78-V80 VanDerWaalsContact ND1-N 3.14Å; H78-V80 PolarHBondContact ND1-O 3.42Å; V80-E82 PolarHBondContact O-N 3.1Å; V80-A83 HydrophobicContact CB-CB 4.4Å; V80-A83 PolarHBondContact O-N 2.78Å; V80-A83 VanDerWaalsContact O-N 3.12Å; V80-L84 PolarHBondContact O-N 2.96Å
81T98.6Very high97.6Very high81 Ų8142.1 Ų42.150%0.49721%0.211SC..Hα-helixtrans-55.8-42.3-174.4-53.20000113.4P79 A83 L84 E85P79-T81 PolarHBondContact O-N 2.82Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 2.97Å; T81-L84 WeakPolarHBondContact O-CB 3.15Å; T81-L84 PolarHBondContact O-N 3.03Å; T81-L84 VanDerWaalsContact O-N 3.17Å; T81-E85 HydrophobicContact CG2-CG 4.44Å; T81-E85 WeakPolarHBondContact O-CG 3.41Å; T81-E85 PolarHBondContact O-N 2.92Å
82E98.4Very high97.7Very high130 Ų13043 Ų4361%0.60722%0.215SC*.Hα-helixtrans-61.5-40179.1-169.6-163150.700112.5V80 K86V80-E82 PolarHBondContact O-N 3.1Å; E82-K86 WeakPolarHBondContact O-CG 3.4Å; E82-K86 PolarHBondContact O-N 3.29Å; E82-K86 WeakPolarHBondContact OE1-CE 3.3Å; E82-K86 IonicContact OE1-NZ 3.96Å; E82-K86 PolarHBondContact OE1-NZ 3.49Å
83A98.2Very high98.1Very high22 Ų2238.2 Ų38.218%0.18220%0.199CC..Hα-helixtrans-73.8-33.417700000111.7H78 V80 T81 K86 S87H78-A83 VanDerWaalsContact CE1-CB 3.42Å; H78-A83 WeakPolarHBondContact CE1-CB 3.37Å; H78-A83 WeakPolarHBondContact ND1-CB 3.44Å; V80-A83 HydrophobicContact CB-CB 4.4Å; V80-A83 PolarHBondContact O-N 2.78Å; V80-A83 VanDerWaalsContact O-N 3.12Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 2.97Å; A83-K86 PolarHBondContact O-N 2.92Å; A83-S87 PolarHBondContact O-N 2.82Å; A83-S87 PolarHBondContact O-OG 3.4Å
84L98.7Very high98.4Very high4 Ų435 Ų352%0.02118%0.182CC..Hα-helixtrans-59.3-47.8170.9177.661.2000111.3L76 H78 V80 T81 K86 S87 R88 R125L76-L84 WeakPolarHBondContact O-CD1 3.31Å; H78-L84 HydrophobicContact CB-CB 4.08Å; H78-L84 HydrophobicContact CB-CD1 4.44Å; V80-L84 PolarHBondContact O-N 2.96Å; T81-L84 WeakPolarHBondContact O-CB 3.15Å; T81-L84 PolarHBondContact O-N 3.03Å; T81-L84 VanDerWaalsContact O-N 3.17Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.26Å; L84-S87 CarbonylContact O-C 3.41Å; L84-S87 WeakPolarHBondContact O-CB 3.47Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 VanDerWaalsContact O-N 3.08Å; L84-R88 HydrophobicContact CD1-CG 4.42Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 2.93Å; L84-R125 HydrophobicContact CD2-CB 4.48Å; L84-R125 HydrophobicContact CD2-CG 4.28Å
85E98.6Very high98.4Very high78 Ų7834.3 Ų34.336%0.36418%0.179SC..Hα-helixtrans-63.3-38.2178.5-63.3-49.4151.400111.9T81 S87 R88 D89T81-E85 HydrophobicContact CG2-CG 4.44Å; T81-E85 WeakPolarHBondContact O-CG 3.41Å; T81-E85 PolarHBondContact O-N 2.92Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 3.3Å; E85-R88 PolarHBondContact O-N 2.94Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 PolarHBondContact OE1-NH1 3.25Å; E85-R88 WeakPolarHBondContact OE2-CD 3.13Å; E85-R88 IonicContact OE2-NH1 3.74Å; E85-D89 WeakPolarHBondContact O-CB 3.28Å; E85-D89 PolarHBondContact O-N 3.22Å
86K97.5Very high98.4Very high93 Ų9337.8 Ų37.840%0.40419%0.194SC..Hα-helixtrans-61.2-41.2172.2-70.3172.1-173.2163.40111.7W39 E82 A83 L84 A90W39-K86 HydrophobicContact CE3-CB 3.92Å; W39-K86 HydrophobicContact CH2-CB 3.77Å; W39-K86 HydrophobicContact CZ3-CB 3.45Å; W39-K86 VanDerWaalsContact CZ3-CB 3.45Å; W39-K86 VanDerWaalsContact CZ3-O 3.25Å; W39-K86 WeakPolarHBondContact CZ3-O 3.17Å; E82-K86 WeakPolarHBondContact O-CG 3.4Å; E82-K86 PolarHBondContact O-N 3.29Å; E82-K86 WeakPolarHBondContact OE1-CE 3.3Å; E82-K86 IonicContact OE1-NZ 3.96Å; E82-K86 PolarHBondContact OE1-NZ 3.49Å; A83-K86 PolarHBondContact O-N 2.92Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.29Å
87S98.2Very high98.4Very high1 Ų138.5 Ų38.51%0.00720%0.197CC..Hα-helixtrans-67.5-38.5177.1-73.70000112N75 A83 L84 E85 A90 F91N75-S87 PolarHBondContact N-OG 2.96Å; N75-S87 VanDerWaalsContact N-OG 3.07Å; N75-S87 WeakPolarHBondContact O-CB 3.31Å; A83-S87 PolarHBondContact O-N 2.82Å; A83-S87 PolarHBondContact O-OG 3.4Å; L84-S87 CarbonylContact O-C 3.41Å; L84-S87 WeakPolarHBondContact O-CB 3.47Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 VanDerWaalsContact O-N 3.08Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 3.3Å; S87-A90 PolarHBondContact O-N 3.13Å; S87-F91 WeakPolarHBondContact O-CB 3.44Å; S87-F91 PolarHBondContact O-N 3.31Å
88R98.5Very high98.4Very high24 Ų2438.5 Ų38.59%0.09120%0.197CC..Hα-helixtrans-62.2-48.1172.8-72.8169.2172-176.7-11.9111.6L84 E85 A90 F91 I92 E128 S129L84-R88 HydrophobicContact CD1-CG 4.42Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 2.93Å; E85-R88 PolarHBondContact O-N 2.94Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 PolarHBondContact OE1-NH1 3.25Å; E85-R88 WeakPolarHBondContact OE2-CD 3.13Å; E85-R88 IonicContact OE2-NH1 3.74Å; R88-A90 VanDerWaalsContact C-N 3.3Å; R88-A90 PolarHBondContact O-N 3.41Å; R88-F91 PolarHBondContact O-N 2.89Å; R88-I92 WeakPolarHBondContact O-CB 3.45Å; R88-I92 WeakPolarHBondContact O-CD1 3.36Å; R88-I92 VanDerWaalsContact O-CG1 3.29Å; R88-I92 WeakPolarHBondContact O-CG1 3.3Å; R88-I92 PolarHBondContact O-N 3.3Å; R88-E128 VanDerWaalsContact NH2-CG 3.35Å; R88-S129 PolarHBondContact NE-OG 2.76Å; R88-S129 PolarHBondContact NH2-OG 3.04Å
89D97.8Very high98.4Very high82 Ų8240.6 Ų40.644%0.43921%0.207SC..Hα-helixtrans-55.1-46.1174.9-78.9-8000111.4R40 E85 D93R40-D89 IonicContact NH2-OD2 3.94Å; E85-D89 WeakPolarHBondContact O-CB 3.28Å; E85-D89 PolarHBondContact O-N 3.22Å; D89-D93 PolarHBondContact O-N 3.38Å
90A97.9Very high98.4Very high4 Ų443.6 Ų43.63%0.03322%0.22CC..Hα-helixtrans-67.7-38.4179.600000112.6W39 I74 K86 S87 R88 D93 E94W39-A90 HydrophobicContact CE3-CB 4.09Å; W39-A90 HydrophobicContact CZ3-CB 4.32Å; I74-A90 HydrophobicContact CD1-CB 4.04Å; I74-A90 HydrophobicContact CG1-CB 4.06Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.29Å; S87-A90 PolarHBondContact O-N 3.13Å; R88-A90 VanDerWaalsContact C-N 3.3Å; R88-A90 PolarHBondContact O-N 3.41Å; A90-D93 WeakPolarHBondContact O-CB 3.37Å; A90-D93 PolarHBondContact O-N 3.42Å; A90-E94 WeakPolarHBondContact O-CG 3.49Å; A90-E94 PolarHBondContact O-N 3.39Å
91F98.4Very high98.4Very high1 Ų140.4 Ų40.40%0.00420%0.201CC..Hα-helixtrans-70.9-37.7178.1-171.4-105.5000112.1I74 L76 S87 R88 D93 E94 M95 L106 F108 A133 A142I74-F91 HydrophobicContact CD1-CB 4.27Å; I74-F91 HydrophobicContact CD1-CD2 4.41Å; I74-F91 HydrophobicContact CG2-CB 4.18Å; I74-F91 HydrophobicContact CG2-CD2 4.32Å; L76-F91 HydrophobicContact CD1-CD1 3.89Å; L76-F91 HydrophobicContact CD1-CD2 4.04Å; L76-F91 HydrophobicContact CD1-CE1 3.99Å; L76-F91 HydrophobicContact CD1-CE2 4.14Å; L76-F91 HydrophobicContact CD1-CG 3.92Å; L76-F91 HydrophobicContact CD1-CZ 4.12Å; L76-F91 HydrophobicContact CD2-CB 3.79Å; L76-F91 HydrophobicContact CD2-CD1 4.41Å; L76-F91 HydrophobicContact CD2-CG 4.01Å; L76-F91 HydrophobicContact CG-CG 4.49Å; S87-F91 WeakPolarHBondContact O-CB 3.44Å; S87-F91 PolarHBondContact O-N 3.31Å; R88-F91 PolarHBondContact O-N 2.89Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.06Å; F91-E94 PolarHBondContact O-N 3.09Å; F91-M95 HydrophobicContact CD1-CG 4.2Å; F91-M95 HydrophobicContact CE1-CG 3.93Å; F91-M95 HydrophobicContact CE1-SD 4.36Å; F91-M95 HydrophobicContact CZ-CG 4.24Å; F91-M95 HydrophobicContact CZ-SD 4.28Å; F91-M95 WeakPolarHBondContact O-CG 3.43Å; F91-M95 PolarHBondContact O-N 3.16Å; F91-L106 HydrophobicContact CD2-CD2 4.19Å; F91-L106 HydrophobicContact CE2-CD2 3.69Å; F91-L106 HydrophobicContact CE2-CG 4.38Å; F91-L106 HydrophobicContact CZ-CD2 4.08Å; F91-F108 HydrophobicContact CE2-CB 3.86Å; F91-F108 AromaticContact CE2-CD1 3.66Å; F91-F108 HydrophobicContact CE2-CD1 3.66Å; F91-F108 HydrophobicContact CE2-CD2 4.06Å; F91-F108 HydrophobicContact CE2-CE1 4.23Å; F91-F108 AromaticContact CE2-CG 3.58Å; F91-F108 HydrophobicContact CE2-CG 3.58Å; F91-F108 AromaticContact CZ-CD1 3.64Å; F91-F108 HydrophobicContact CZ-CD1 3.64Å; F91-F108 HydrophobicContact CZ-CD2 4.34Å; F91-F108 AromaticContact CZ-CE1 3.76Å; F91-F108 HydrophobicContact CZ-CE1 3.76Å; F91-F108 HydrophobicContact CZ-CE2 4.44Å; F91-F108 AromaticContact CZ-CG 3.97Å; F91-F108 HydrophobicContact CZ-CG 3.97Å; F91-F108 HydrophobicContact CZ-CZ 4.15Å; F91-A133 HydrophobicContact CD1-CB 3.67Å; F91-A133 HydrophobicContact CE1-CB 3.85Å; F91-A142 HydrophobicContact CZ-CB 4.46Å
92I98.4Very high98.4Very high23 Ų2338.7 Ų38.712%0.11820%0.199CC..Hα-helixtrans-59-45.1169.9-70.7159.8000110.3R88 E94 M95 Q96 I132 A133 K136R88-I92 WeakPolarHBondContact O-CB 3.45Å; R88-I92 WeakPolarHBondContact O-CD1 3.36Å; R88-I92 VanDerWaalsContact O-CG1 3.29Å; R88-I92 WeakPolarHBondContact O-CG1 3.3Å; R88-I92 PolarHBondContact O-N 3.3Å; I92-E94 PolarHBondContact O-N 3.18Å; I92-M95 PolarHBondContact O-N 3.32Å; I92-Q96 HydrophobicContact CG2-CG 4.25Å; I92-Q96 VanDerWaalsContact CG2-OE1 3.25Å; I92-Q96 WeakPolarHBondContact O-CB 3.27Å; I92-Q96 VanDerWaalsContact O-CG 3.31Å; I92-Q96 WeakPolarHBondContact O-CG 3.17Å; I92-Q96 PolarHBondContact O-N 3.38Å; I92-I132 HydrophobicContact CD1-CG2 4.01Å; I92-A133 HydrophobicContact CG1-CB 4.09Å; I92-K136 HydrophobicContact CD1-CG 4.42Å; I92-K136 HydrophobicContact CG2-CB 4.25Å
93D97.9Very high98.4Very high42 Ų4232.9 Ų32.923%0.22517%0.172CC..Hα-helixtrans-58-47.2175178.364.4000111.8D89 A90 F91 M95 Q96 R97D89-D93 PolarHBondContact O-N 3.38Å; A90-D93 WeakPolarHBondContact O-CB 3.37Å; A90-D93 PolarHBondContact O-N 3.42Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.06Å; D93-M95 PolarHBondContact O-N 3.45Å; D93-Q96 PolarHBondContact O-N 3.23Å; D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 2.93Å
94E98.4Very high98.5Very high3 Ų333.1 Ų33.11%0.01417%0.172CC..Hα-helixtrans-60.4-43.7176.9-63.2-79-17800112.1T33 K34 D70 I74 A90 F91 I92 R97 C98 L106T33-E94 PolarHBondContact OG1-OE2 2.94Å; K34-E94 WeakPolarHBondContact CD-OE1 3.31Å; K34-E94 WeakPolarHBondContact CG-OE1 3.42Å; K34-E94 IonicContact NZ-OE1 3.04Å; K34-E94 PolarHBondContact NZ-OE1 3.4Å; D70-E94 HydrophobicContact CB-CG 4.4Å; I74-E94 HydrophobicContact CD1-CG 4.12Å; A90-E94 WeakPolarHBondContact O-CG 3.49Å; A90-E94 PolarHBondContact O-N 3.39Å; F91-E94 PolarHBondContact O-N 3.09Å; I92-E94 PolarHBondContact O-N 3.18Å; E94-R97 WeakPolarHBondContact O-CB 3.16Å; E94-R97 PolarHBondContact O-N 3.49Å; E94-C98 PolarHBondContact O-N 3.04Å; E94-C98 PolarHBondContact O-SG 2.92Å; E94-L106 HydrophobicContact CB-CD1 4.46Å; E94-L106 HydrophobicContact CB-CD2 3.69Å
95M98.7Very high98.5Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-63.9-43.8176.8-70.2-74.8-77.700111.6F91 I92 D93 R97 C98 E99 L106 A133 L134 T137 V140 A142F91-M95 HydrophobicContact CD1-CG 4.2Å; F91-M95 HydrophobicContact CE1-CG 3.93Å; F91-M95 HydrophobicContact CE1-SD 4.36Å; F91-M95 HydrophobicContact CZ-CG 4.24Å; F91-M95 HydrophobicContact CZ-SD 4.28Å; F91-M95 WeakPolarHBondContact O-CG 3.43Å; F91-M95 PolarHBondContact O-N 3.16Å; I92-M95 PolarHBondContact O-N 3.32Å; D93-M95 PolarHBondContact O-N 3.45Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.31Å; M95-C98 WeakPolarHBondContact O-CB 3.39Å; M95-C98 PolarHBondContact O-N 3.36Å; M95-E99 PolarHBondContact O-N 3.49Å; M95-L106 HydrophobicContact CG-CD2 3.66Å; M95-L106 HydrophobicContact SD-CB 3.68Å; M95-L106 HydrophobicContact SD-CD2 3.52Å; M95-L106 VanDerWaalsContact SD-CD2 3.52Å; M95-L106 HydrophobicContact SD-CG 4.21Å; M95-A133 HydrophobicContact CG-CB 4.49Å; M95-L134 HydrophobicContact CE-CD2 3.83Å; M95-T137 HydrophobicContact CB-CG2 3.78Å; M95-V140 HydrophobicContact CE-CB 3.79Å; M95-V140 HydrophobicContact CE-CG1 3.74Å; M95-V140 HydrophobicContact SD-CB 4.23Å; M95-V140 HydrophobicContact SD-CG1 3.57Å; M95-V140 VanDerWaalsContact SD-CG1 3.57Å; M95-A142 HydrophobicContact CE-CB 4.47Å
96Q98.6Very high98.5Very high86 Ų8629.4 Ų29.440%0.40216%0.155SC..Hα-helixtrans-65-34175.6-73-176.1-94.200112.2I92 D93 E99 Q100 T137I92-Q96 HydrophobicContact CG2-CG 4.25Å; I92-Q96 VanDerWaalsContact CG2-OE1 3.25Å; I92-Q96 WeakPolarHBondContact O-CB 3.27Å; I92-Q96 VanDerWaalsContact O-CG 3.31Å; I92-Q96 WeakPolarHBondContact O-CG 3.17Å; I92-Q96 PolarHBondContact O-N 3.38Å; D93-Q96 PolarHBondContact O-N 3.23Å; Q96-E99 PolarHBondContact O-N 3.49Å; Q96-Q100 VanDerWaalsContact O-CG 3.28Å; Q96-Q100 WeakPolarHBondContact O-CG 3.15Å; Q96-Q100 PolarHBondContact O-N 3.04Å; Q96-Q100 PolarHBondContact O-NE2 3.37Å; Q96-T137 HydrophobicContact CG-CG2 3.75Å
97R98.6Very high98.6Very high15 Ų1525 Ų256%0.05714%0.136CC..Hα-helixtrans-66.3-42.4173.6-70.6170.178785.4110.8T33 A42 L44 D93 E94 M95 E99 Q100 L101T33-R97 PolarHBondContact O-NH2 3.1Å; T33-R97 WeakPolarHBondContact OG1-CD 3.47Å; T33-R97 PolarHBondContact OG1-NE 3.32Å; A42-R97 PolarHBondContact O-NH1 2.96Å; A42-R97 VanDerWaalsContact O-NH1 3.15Å; L44-R97 HydrophobicContact CD1-CB 4.03Å; L44-R97 HydrophobicContact CD1-CG 4.06Å; L44-R97 HydrophobicContact CG-CG 4.46Å; D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 2.93Å; E94-R97 WeakPolarHBondContact O-CB 3.16Å; E94-R97 PolarHBondContact O-N 3.49Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.31Å; R97-E99 VanDerWaalsContact C-N 3.34Å; R97-E99 PolarHBondContact O-N 2.85Å; R97-Q100 PolarHBondContact O-N 2.86Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 WeakPolarHBondContact O-CD1 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.49Å; R97-L101 PolarHBondContact O-N 2.97Å
98C98.8Very high98.6Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-57.5-47.6173.3-67.60000111.2E94 M95 Q100 L101 G102 L103 V140E94-C98 PolarHBondContact O-N 3.04Å; E94-C98 PolarHBondContact O-SG 2.92Å; M95-C98 WeakPolarHBondContact O-CB 3.39Å; M95-C98 PolarHBondContact O-N 3.36Å; C98-Q100 PolarHBondContact O-N 3.49Å; C98-L101 PolarHBondContact O-N 3.42Å; C98-G102 PolarHBondContact O-N 2.88Å; C98-G102 VanDerWaalsContact O-N 3.12Å; C98-L103 HydrophobicContact CB-CB 4Å; C98-L103 WeakPolarHBondContact O-CB 3.21Å; C98-L103 PolarHBondContact O-N 3.37Å; C98-V140 HydrophobicContact CB-CG1 3.92Å; C98-V140 HydrophobicContact CB-CG2 3.95Å
99E98.8Very high98.6Very high81 Ų8126.1 Ų26.138%0.37914%0.142SC..Hα-helixtrans-57.4-49176.7-173.1176.5163.200111.8M95 Q96 R97 L101 G102 Q138 V140M95-E99 PolarHBondContact O-N 3.49Å; Q96-E99 PolarHBondContact O-N 3.49Å; R97-E99 VanDerWaalsContact C-N 3.34Å; R97-E99 PolarHBondContact O-N 2.85Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 3.34Å; E99-G102 PolarHBondContact O-N 3.22Å; E99-Q138 PolarHBondContact OE2-N 3.01Å; E99-V140 HydrophobicContact CB-CG2 3.95Å
100Q98.8Very high98.6Very high76 Ų7622.2 Ų22.236%0.35512%0.121SC..Hα-helixtrans-59.7-41.1178-74.816890.500112.7L44 I49 K53 Q96 R97 C98 G102L44-Q100 HydrophobicContact CD1-CB 4.17Å; I49-Q100 HydrophobicContact CD1-CB 4.08Å; I49-Q100 WeakPolarHBondContact CG2-O 3.49Å; K53-Q100 VanDerWaalsContact CE-O 3.29Å; K53-Q100 WeakPolarHBondContact CE-O 3.47Å; K53-Q100 PolarHBondContact NZ-O 3.4Å; Q96-Q100 VanDerWaalsContact O-CG 3.28Å; Q96-Q100 WeakPolarHBondContact O-CG 3.15Å; Q96-Q100 PolarHBondContact O-N 3.04Å; Q96-Q100 PolarHBondContact O-NE2 3.37Å; R97-Q100 PolarHBondContact O-N 2.86Å; C98-Q100 PolarHBondContact O-N 3.49Å; Q100-G102 PolarHBondContact O-N 2.69Å
101L98.8Very high98.7Very high3 Ų322.3 Ų22.32%0.01612%0.122CC..Hα-helixtrans-74.4-7.5178.8-66.9168.1000113.1L14 T33 L44 I49 F52 K53 R97 C98 E99 L103L14-L101 HydrophobicContact CD1-CD1 3.72Å; L14-L101 HydrophobicContact CD1-CD2 3.79Å; L14-L101 HydrophobicContact CD1-CG 4.41Å; T33-L101 HydrophobicContact CG2-CD1 4.28Å; L44-L101 HydrophobicContact CD1-CD1 4.13Å; L44-L101 HydrophobicContact CD1-CD2 4.01Å; L44-L101 HydrophobicContact CD1-CG 3.8Å; I49-L101 HydrophobicContact CG1-CD2 4.3Å; F52-L101 HydrophobicContact CB-CD2 4.09Å; F52-L101 HydrophobicContact CD1-CB 4.02Å; F52-L101 HydrophobicContact CD1-CD2 3.75Å; F52-L101 HydrophobicContact CD1-CG 4.38Å; F52-L101 HydrophobicContact CE1-CB 4.04Å; F52-L101 HydrophobicContact CE1-CD2 4.45Å; F52-L101 HydrophobicContact CG-CD2 4.02Å; K53-L101 VanDerWaalsContact CE-C 3.42Å; K53-L101 VanDerWaalsContact CE-O 3.26Å; K53-L101 WeakPolarHBondContact CE-O 3.48Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 WeakPolarHBondContact O-CD1 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.49Å; R97-L101 PolarHBondContact O-N 2.97Å; C98-L101 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 3.34Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 HydrophobicContact CB-CD1 3.84Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 3.97Å
102G98.7Very high98.7Very high44 Ų4423 Ų2345%0.45413%0.127SC..THydrogen-bonded Turntrans7621.7-176.100000113.4S63 C98 E99 Q100S63-G102 VanDerWaalsContact CB-O 3.26Å; S63-G102 WeakPolarHBondContact CB-O 3.3Å; C98-G102 PolarHBondContact O-N 2.88Å; C98-G102 VanDerWaalsContact O-N 3.12Å; E99-G102 PolarHBondContact O-N 3.22Å; Q100-G102 PolarHBondContact O-N 2.69Å
103L98.9Very high98.7Very high8 Ų823.4 Ų23.44%0.04213%0.129CC..  trans-86152176.9-55.7174.6000109.7F52 I66 P68 C98 L101F52-L103 HydrophobicContact CE1-CD1 4.24Å; F52-L103 HydrophobicContact CE1-CD2 3.77Å; F52-L103 HydrophobicContact CE1-CG 4.18Å; F52-L103 HydrophobicContact CZ-CD1 4.28Å; F52-L103 HydrophobicContact CZ-CD2 3.95Å; I66-L103 HydrophobicContact CB-CD2 3.92Å; I66-L103 HydrophobicContact CD1-CD2 3.66Å; I66-L103 HydrophobicContact CG1-CD2 4.38Å; I66-L103 HydrophobicContact CG2-CD2 3.79Å; P68-L103 HydrophobicContact CG-CB 4.28Å; P68-L103 HydrophobicContact CG-CD1 3.52Å; P68-L103 HydrophobicContact CG-CG 4.36Å; C98-L103 HydrophobicContact CB-CB 4Å; C98-L103 WeakPolarHBondContact O-CB 3.21Å; C98-L103 PolarHBondContact O-N 3.37Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 HydrophobicContact CB-CD1 3.84Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 3.97Å
104S98.9Very high98.7Very high27 Ų2724.3 Ų24.319%0.18913%0.133CC..  trans-116.9-5.6-173.371.60000114.2S63 T141S63-S104 PolarHBondContact O-OG 3.07Å; S104-T141 PolarHBondContact O-N 3.44Å
105L99Very high98.7Very high5 Ų532.2 Ų32.23%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-130.7150.6-177.3-54.5176.9000109L67 P68 T141 V143 R213 P257L67-L105 HydrophobicContact CD1-CB 3.9Å; L67-L105 HydrophobicContact CD1-CD1 3.82Å; L67-L105 HydrophobicContact CD1-CG 4.48Å; P68-L105 WeakPolarHBondContact CD-O 3.34Å; P68-L105 WeakPolarHBondContact CG-O 3.37Å; L105-T141 HydrophobicContact CD2-CG2 4.47Å; L105-V143 HydrophobicContact CB-CG2 4.11Å; L105-V143 HydrophobicContact CD2-CG2 3.97Å; L105-R213 HydrophobicContact CD2-CB 4.32Å; L105-R213 VanDerWaalsContact CD2-NH2 3.33Å; L105-P257 HydrophobicContact CD1-CG 4.08Å
106L98.9Very high98.7Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-140.5115.1162.417763.8000108.5P68 D70 F91 E94 M95 V140 T141 V143P68-L106 HydrophobicContact CB-CD1 4.09Å; D70-L106 HydrophobicContact CB-CD1 4.15Å; D70-L106 HydrophobicContact CB-CD2 4.49Å; D70-L106 HydrophobicContact CB-CG 4.47Å; F91-L106 HydrophobicContact CD2-CD2 4.19Å; F91-L106 HydrophobicContact CE2-CD2 3.69Å; F91-L106 HydrophobicContact CE2-CG 4.38Å; F91-L106 HydrophobicContact CZ-CD2 4.08Å; E94-L106 HydrophobicContact CB-CD1 4.46Å; E94-L106 HydrophobicContact CB-CD2 3.69Å; M95-L106 HydrophobicContact CG-CD2 3.66Å; M95-L106 HydrophobicContact SD-CB 3.68Å; M95-L106 HydrophobicContact SD-CD2 3.52Å; M95-L106 VanDerWaalsContact SD-CD2 3.52Å; M95-L106 HydrophobicContact SD-CG 4.21Å; L106-V140 HydrophobicContact CB-CG1 4.24Å; L106-T141 PolarHBondContact N-O 3.19Å; L106-V143 WeakPolarHBondContact O-CB 3.48Å; L106-V143 PolarHBondContact O-N 2.92Å
107N99Very high98.7Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-82.2138.7174.5-17281.3000111.1L67 P68 H69 D70 V143 E145 C177 H216L67-N107 HydrophobicContact CD1-CB 3.98Å; L67-N107 HydrophobicContact CD2-CB 4.36Å; L67-N107 HydrophobicContact CG-CB 3.9Å; P68-N107 WeakPolarHBondContact O-CB 3.39Å; P68-N107 PolarHBondContact O-N 2.84Å; H69-N107 CarbonylContact C-O 3.41Å; H69-N107 WeakPolarHBondContact CA-O 3.31Å; H69-N107 PolarHBondContact CD2-ND2 2.76Å; H69-N107 PolarHBondContact NE2-ND2 2.86Å; D70-N107 PolarHBondContact N-O 3.14Å; N107-V143 WeakPolarHBondContact CA-O 3.46Å; N107-E145 PolarHBondContact ND2-OE2 3.26Å; N107-C177 WeakPolarHBondContact OD1-CB 3.43Å; N107-H216 PolarHBondContact ND2-CE1 3.22Å
108F98.9Very high98.7Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-155.1154.1177.766.5-76000112.1D70 L76 F91 I130 A142 V143 I144 E145D70-F108 HydrophobicContact CB-CB 4.06Å; D70-F108 WeakPolarHBondContact OD1-CA 2.96Å; D70-F108 WeakPolarHBondContact OD1-CB 3.19Å; D70-F108 WeakPolarHBondContact OD2-CB 3.44Å; L76-F108 HydrophobicContact CD1-CD2 3.93Å; L76-F108 HydrophobicContact CD1-CE2 3.69Å; L76-F108 HydrophobicContact CD1-CZ 4.42Å; F91-F108 HydrophobicContact CE2-CB 3.86Å; F91-F108 AromaticContact CE2-CD1 3.66Å; F91-F108 HydrophobicContact CE2-CD1 3.66Å; F91-F108 HydrophobicContact CE2-CD2 4.06Å; F91-F108 HydrophobicContact CE2-CE1 4.23Å; F91-F108 AromaticContact CE2-CG 3.58Å; F91-F108 HydrophobicContact CE2-CG 3.58Å; F91-F108 AromaticContact CZ-CD1 3.64Å; F91-F108 HydrophobicContact CZ-CD1 3.64Å; F91-F108 HydrophobicContact CZ-CD2 4.34Å; F91-F108 AromaticContact CZ-CE1 3.76Å; F91-F108 HydrophobicContact CZ-CE1 3.76Å; F91-F108 HydrophobicContact CZ-CE2 4.44Å; F91-F108 AromaticContact CZ-CG 3.97Å; F91-F108 HydrophobicContact CZ-CG 3.97Å; F91-F108 HydrophobicContact CZ-CZ 4.15Å; F108-I130 HydrophobicContact CE2-CD1 4.43Å; F108-I130 HydrophobicContact CE2-CG1 4.5Å; F108-I130 HydrophobicContact CZ-CD1 3.79Å; F108-I130 HydrophobicContact CZ-CG1 3.92Å; F108-A142 HydrophobicContact CE1-CB 3.82Å; F108-A142 HydrophobicContact CZ-CB 4.38Å; F108-V143 VanDerWaalsContact CD1-O 3.22Å; F108-V143 WeakPolarHBondContact CD1-O 3.27Å; F108-V143 WeakPolarHBondContact CE1-O 3.47Å; F108-V143 PolarHBondContact N-O 3.07Å; F108-I144 HydrophobicContact CE1-CG1 4.12Å; F108-I144 HydrophobicContact CE2-CG1 4.46Å; F108-I144 HydrophobicContact CZ-CB 4.34Å; F108-I144 HydrophobicContact CZ-CG1 3.67Å; F108-E145 PolarHBondContact O-N 2.92Å
109H98.7Very high98.7Very high49 Ų4940.8 Ų40.823%0.22722%0.219CC..  trans-80.3135.9168.9-70.1-166.2000109.4H69 G111 E145 T147 H182H69-H109 AromaticContact NE2-CD2 3.88Å; H69-H109 AromaticContact NE2-NE2 3.83Å; H109-G111 PolarHBondContact O-N 3.45Å; H109-E145 IonicContact CD2-OE1 3.12Å; H109-E145 IonicContact CD2-OE2 3.71Å; H109-E145 PolarHBondContact CD2-OE2 3.18Å; H109-E145 IonicContact CE1-OE1 3.33Å; H109-E145 IonicContact NE2-OE1 3.16Å; H109-E145 PolarHBondContact NE2-OE1 2.89Å; H109-E145 IonicContact NE2-OE2 3.84Å; H109-E145 PolarHBondContact NE2-OE2 3.07Å; H109-E145 VanDerWaalsContact NE2-OE2 3.16Å; H109-T147 HydrophobicContact CB-CG2 4.13Å; H109-H182 AromaticContact CE1-CE1 3.66Å; H109-H182 AromaticContact NE2-CE1 3.71Å
110P98.8Very high98.7Very high0 Ų044.5 Ų44.50%024%0.236CC..  trans-63.2-47.4-166.918.8-30.7000113.4I126 I144 E145 T147 I164P110-I126 HydrophobicContact CB-CD1 4.07Å; P110-I126 HydrophobicContact CB-CG2 4.11Å; P110-I126 WeakPolarHBondContact O-CD1 3.28Å; P110-I126 VanDerWaalsContact O-CG1 3.31Å; P110-I126 WeakPolarHBondContact O-CG1 3.36Å; P110-I144 HydrophobicContact CB-CG2 3.8Å; P110-I144 HydrophobicContact CG-CG2 4.07Å; P110-E145 WeakPolarHBondContact CD-O 3.33Å; P110-T147 HydrophobicContact CG-CG2 4.39Å; P110-I164 HydrophobicContact CB-CD1 3.7Å
111G98.6Very high98.7Very high6 Ų645 Ų456%0.06224%0.242CC..  trans153.6-179.1179.100000113.9N75 H109 L154N75-G111 WeakPolarHBondContact OD1-CA 3.36Å; H109-G111 PolarHBondContact O-N 3.45Å; G111-L154 PolarHBondContact O-N 3.23Å
112S98.7Very high98.7Very high15 Ų1544.9 Ų44.911%0.10524%0.241CC..BIsolated β-bridgetrans-139.6139-179.560.50000112.3N75 L114 S152N75-S112 PolarHBondContact ND2-O 3.31Å; N75-S112 PolarHBondContact ND2-OG 2.86Å; N75-S112 PolarHBondContact OD1-N 3.46Å; N75-S112 PolarHBondContact OD1-O 3.23Å; S112-L114 WeakPolarHBondContact OG-CD2 3.25Å; S112-S152 WeakPolarHBondContact CA-O 3.3Å; S112-S152 VanDerWaalsContact CB-O 3.27Å; S112-S152 WeakPolarHBondContact CB-O 3.33Å
113H98.5Very high98.7Very high32 Ų3243.6 Ų43.615%0.14822%0.223CC..  trans-84.9-9.3-173.968.993.2000113.6M115 Q116 I117 C122 S152H113-M115 WeakPolarHBondContact ND1-CA 3.38Å; H113-M115 PolarHBondContact ND1-N 3.19Å; H113-M115 VanDerWaalsContact ND1-N 3.15Å; H113-M115 PolarHBondContact O-N 2.87Å; H113-Q116 PolarHBondContact O-N 2.92Å; H113-I117 HydrophobicContact CB-CG1 3.92Å; H113-I117 PolarHBondContact ND1-O 3.4Å; H113-C122 HydrophobicContact CB-CB 3.86Å; H113-S152 PolarHBondContact CD2-O 3.27Å; H113-S152 PolarHBondContact N-O 2.82Å; H113-S152 VanDerWaalsContact N-O 3.14Å; H113-S152 WeakPolarHBondContact NE2-CB 3.31Å
114L98.2Very high98.7Very high60 Ų6046.1 Ų46.131%0.31425%0.245SC..THydrogen-bonded Turntrans49.429.4178.3-47.3-179.6000114.6P79 S112 Q116 S152P79-L114 HydrophobicContact CG-CB 3.99Å; P79-L114 HydrophobicContact CG-CD1 3.96Å; P79-L114 HydrophobicContact CG-CG 4.15Å; S112-L114 WeakPolarHBondContact OG-CD2 3.25Å; L114-Q116 WeakPolarHBondContact O-CG 3.48Å; L114-Q116 PolarHBondContact O-N 2.85Å; L114-Q116 VanDerWaalsContact O-N 3.14Å; L114-Q116 PolarHBondContact O-NE2 3.4Å; L114-S152 VanDerWaalsContact CA-OG 3.3Å; L114-S152 WeakPolarHBondContact CA-OG 3.29Å; L114-S152 PolarHBondContact N-OG 3.37Å; L114-S152 VanDerWaalsContact N-OG 3.07Å
115M98.2Very high98.7Very high169 Ų16947.9 Ų47.983%0.83325%0.248SC*.THydrogen-bonded Turntrans55.922.7-175.6-54.2177.968.200114.5H113H113-M115 WeakPolarHBondContact ND1-CA 3.38Å; H113-M115 PolarHBondContact ND1-N 3.19Å; H113-M115 VanDerWaalsContact ND1-N 3.15Å; H113-M115 PolarHBondContact O-N 2.87Å
116Q98.7Very high98.7Very high120 Ų12047.6 Ų47.656%0.56125%0.247SC*.THydrogen-bonded Turntrans-113-19.7-175.8-75.616964.700113.8P79 H113 L114P79-Q116 HydrophobicContact CB-CB 3.64Å; P79-Q116 HydrophobicContact CG-CB 3.79Å; P79-Q116 HydrophobicContact CG-CG 4.42Å; H113-Q116 PolarHBondContact O-N 2.92Å; L114-Q116 WeakPolarHBondContact O-CG 3.48Å; L114-Q116 PolarHBondContact O-N 2.85Å; L114-Q116 VanDerWaalsContact O-N 3.14Å; L114-Q116 PolarHBondContact O-NE2 3.4Å
117I98.7Very high98.7Very high36 Ų3647.8 Ų47.819%0.18525%0.248CC..SBendtrans-134.3166174.361176.6000109.7P79 H113 D121 C122P79-I117 HydrophobicContact CB-CB 4.47Å; P79-I117 HydrophobicContact CB-CD1 4.13Å; P79-I117 HydrophobicContact CB-CG1 4.05Å; P79-I117 HydrophobicContact CB-CG2 3.78Å; H113-I117 HydrophobicContact CB-CG1 3.92Å; H113-I117 PolarHBondContact ND1-O 3.4Å; I117-D121 HydrophobicContact CB-CB 4.27Å; I117-D121 HydrophobicContact CD1-CB 4.39Å; I117-C122 HydrophobicContact CD1-CB 3.72Å; I117-C122 HydrophobicContact CG1-CB 4.12Å
118S98.7Very high98.7Very high50 Ų5051.9 Ų51.935%0.3527%0.267SS..  trans-67.7160.5174.773.80000111.5E120 D121 C122S118-E120 VanDerWaalsContact C-N 3.28Å; S118-E120 PolarHBondContact O-N 3.02Å; S118-D121 WeakPolarHBondContact OG-CB 3Å; S118-D121 PolarHBondContact OG-N 3.43Å; S118-D121 PolarHBondContact OG-OD2 2.85Å; S118-C122 WeakPolarHBondContact O-CB 3.32Å; S118-C122 PolarHBondContact O-N 2.96Å; S118-C122 VanDerWaalsContact O-N 3.11Å
119E98.8Very high98.8Very high76 Ų7652 Ų5236%0.35527%0.268SS..Hα-helixtrans-60.8-41.2172.5-60.7-167.215900110.6C122 L123 L154 H160E119-C122 WeakPolarHBondContact O-CB 3.27Å; E119-C122 PolarHBondContact O-N 2.86Å; E119-L123 VanDerWaalsContact O-CG 3.24Å; E119-L123 WeakPolarHBondContact O-CG 3.36Å; E119-L123 PolarHBondContact O-N 3.32Å; E119-L154 HydrophobicContact CB-CD1 4.21Å; E119-L154 HydrophobicContact CB-CD2 4.24Å; E119-L154 HydrophobicContact CG-CD2 3.84Å; E119-H160 IonicContact OE2-CE1 2.7Å; E119-H160 IonicContact OE2-NE2 3.73Å
120E98.8Very high98.8Very high158 Ų15849.6 Ų49.674%0.73826%0.257SS*.Hα-helixtrans-58.8-49.9178.2-174.5177.5175.400112.2S118 C122 L123 A124S118-E120 VanDerWaalsContact C-N 3.28Å; S118-E120 PolarHBondContact O-N 3.02Å; E120-C122 VanDerWaalsContact C-N 3.28Å; E120-C122 PolarHBondContact O-N 3.22Å; E120-L123 PolarHBondContact O-N 3.38Å; E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.41Å
121D98.9Very high98.8Very high88 Ų8850.2 Ų50.247%0.47126%0.26SS..Hα-helixtrans-63.1-36.2177.7-64.9-47.2000111.9I117 S118 R125I117-D121 HydrophobicContact CB-CB 4.27Å; I117-D121 HydrophobicContact CD1-CB 4.39Å; S118-D121 WeakPolarHBondContact OG-CB 3Å; S118-D121 PolarHBondContact OG-N 3.43Å; S118-D121 PolarHBondContact OG-OD2 2.85Å; D121-R125 VanDerWaalsContact O-CG 3.31Å; D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 3.26Å
122C98.9Very high98.8Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-66.8-47.5177.9-171.60000110.8G77 H113 I117 S118 E119 E120 A124 R125 I126 L154G77-C122 PolarHBondContact O-SG 3.25Å; H113-C122 HydrophobicContact CB-CB 3.86Å; I117-C122 HydrophobicContact CD1-CB 3.72Å; I117-C122 HydrophobicContact CG1-CB 4.12Å; S118-C122 WeakPolarHBondContact O-CB 3.32Å; S118-C122 PolarHBondContact O-N 2.96Å; S118-C122 VanDerWaalsContact O-N 3.11Å; E119-C122 WeakPolarHBondContact O-CB 3.27Å; E119-C122 PolarHBondContact O-N 2.86Å; E120-C122 VanDerWaalsContact C-N 3.28Å; E120-C122 PolarHBondContact O-N 3.22Å; C122-A124 VanDerWaalsContact C-N 3.33Å; C122-A124 PolarHBondContact O-N 3.43Å; C122-R125 WeakPolarHBondContact O-CB 3.32Å; C122-R125 PolarHBondContact O-N 3.22Å; C122-I126 WeakPolarHBondContact O-CD1 3.34Å; C122-I126 WeakPolarHBondContact O-CG1 3.26Å; C122-I126 PolarHBondContact O-N 2.88Å; C122-L154 HydrophobicContact CB-CD1 3.6Å
123L98.9Very high98.8Very high16 Ų1651.1 Ų51.18%0.08426%0.262CS..Hα-helixtrans-61-41.4176.5-64.1168.9000111.6E119 E120 R125 I126 A127 L154 H160 A163 I164E119-L123 VanDerWaalsContact O-CG 3.24Å; E119-L123 WeakPolarHBondContact O-CG 3.36Å; E119-L123 PolarHBondContact O-N 3.32Å; E120-L123 PolarHBondContact O-N 3.38Å; L123-R125 PolarHBondContact O-N 2.76Å; L123-I126 PolarHBondContact O-N 2.84Å; L123-A127 PolarHBondContact O-N 2.91Å; L123-L154 HydrophobicContact CD2-CB 4.18Å; L123-L154 HydrophobicContact CD2-CD1 3.85Å; L123-L154 HydrophobicContact CG-CD1 3.88Å; L123-H160 HydrophobicContact CD1-CB 4.34Å; L123-H160 HydrophobicContact CD2-CB 3.79Å; L123-A163 HydrophobicContact CD1-CB 4.14Å; L123-I164 HydrophobicContact CB-CG1 4.29Å; L123-I164 HydrophobicContact CD2-CD1 3.77Å; L123-I164 HydrophobicContact CD2-CG1 3.79Å
124A98.9Very high98.8Very high61 Ų6149.8 Ų49.850%0.50426%0.256SS..Hα-helixtrans-62.6-4117500000112.4E120 C122 I126 A127 E128E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.41Å; C122-A124 VanDerWaalsContact C-N 3.33Å; C122-A124 PolarHBondContact O-N 3.43Å; A124-I126 VanDerWaalsContact C-N 3.3Å; A124-I126 PolarHBondContact O-N 2.82Å; A124-A127 PolarHBondContact O-N 2.8Å; A124-E128 PolarHBondContact O-N 2.99Å
125R98.9Very high98.8Very high64 Ų6452.9 Ų52.924%0.24227%0.273CS..Hα-helixtrans-62.2-37.1174-78173.9178.5-122.3-3.9112.7L76 H78 P79 L84 D121 C122 L123 S129L76-R125 CarbonylContact O-C 3.14Å; H78-R125 PolarHBondContact O-NH1 2.97Å; P79-R125 PolarHBondContact O-NH1 3.43Å; L84-R125 HydrophobicContact CD2-CB 4.48Å; L84-R125 HydrophobicContact CD2-CG 4.28Å; D121-R125 VanDerWaalsContact O-CG 3.31Å; D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 3.26Å; C122-R125 WeakPolarHBondContact O-CB 3.32Å; C122-R125 PolarHBondContact O-N 3.22Å; L123-R125 PolarHBondContact O-N 2.76Å; R125-S129 WeakPolarHBondContact O-CB 3.5Å; R125-S129 PolarHBondContact O-N 2.88Å; R125-S129 PolarHBondContact O-OG 3.16Å
126I98.9Very high98.9Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-67.6-47.1178.5-64.1159.9000109.7L76 G77 P110 C122 L123 A124 E128 S129 I130 I164L76-I126 HydrophobicContact CB-CG1 4.28Å; L76-I126 HydrophobicContact CB-CG2 4.36Å; L76-I126 WeakPolarHBondContact O-CA 3.26Å; L76-I126 PolarHBondContact O-N 3.28Å; G77-I126 VanDerWaalsContact CA-CG1 3.49Å; P110-I126 HydrophobicContact CB-CD1 4.07Å; P110-I126 HydrophobicContact CB-CG2 4.11Å; P110-I126 WeakPolarHBondContact O-CD1 3.28Å; P110-I126 VanDerWaalsContact O-CG1 3.31Å; P110-I126 WeakPolarHBondContact O-CG1 3.36Å; C122-I126 WeakPolarHBondContact O-CD1 3.34Å; C122-I126 WeakPolarHBondContact O-CG1 3.26Å; C122-I126 PolarHBondContact O-N 2.88Å; L123-I126 PolarHBondContact O-N 2.84Å; A124-I126 VanDerWaalsContact C-N 3.3Å; A124-I126 PolarHBondContact O-N 2.82Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.35Å; I126-S129 WeakPolarHBondContact O-CB 3.46Å; I126-S129 PolarHBondContact O-N 3.49Å; I126-S129 VanDerWaalsContact O-N 3.16Å; I126-I130 HydrophobicContact CG2-CD1 4.23Å; I126-I130 WeakPolarHBondContact O-CG1 3.44Å; I126-I130 PolarHBondContact O-N 3.44Å; I126-I164 HydrophobicContact CB-CD1 4.39Å; I126-I164 HydrophobicContact CB-CG1 4.32Å; I126-I164 HydrophobicContact CD1-CD1 4.47Å; I126-I164 HydrophobicContact CG2-CD1 3.86Å; I126-I164 HydrophobicContact CG2-CG1 4.11Å; I126-I164 HydrophobicContact CG2-CG2 3.98Å
127A98.9Very high98.9Very high3 Ų346 Ų463%0.02524%0.237CC..Hα-helixtrans-56.9-46.117500000111.9L123 A124 S129 I130 N131 I164L123-A127 PolarHBondContact O-N 2.91Å; A124-A127 PolarHBondContact O-N 2.8Å; A127-S129 PolarHBondContact O-N 3.45Å; A127-I130 WeakPolarHBondContact O-CB 3.23Å; A127-I130 PolarHBondContact O-N 3.04Å; A127-N131 PolarHBondContact O-N 3Å; A127-N131 PolarHBondContact O-ND2 3.02Å; A127-I164 HydrophobicContact CB-CG2 4.34Å; A127-I164 WeakPolarHBondContact CB-O 3.41Å
128E99Very high98.9Very high86 Ų8651.3 Ų51.340%0.40226%0.261SS..Hα-helixtrans-63.4-39.8176.217859.9-170.300112.6R88 A124 I126 I130 N131 I132R88-E128 VanDerWaalsContact NH2-CG 3.35Å; A124-E128 PolarHBondContact O-N 2.99Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.35Å; E128-I130 VanDerWaalsContact C-N 3.27Å; E128-I130 PolarHBondContact O-N 3.33Å; E128-N131 PolarHBondContact O-N 2.85Å; E128-I132 HydrophobicContact CG-CD1 4.01Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.43Å; E128-I132 PolarHBondContact O-N 3.27Å
129S99Very high98.9Very high2 Ų251.7 Ų51.71%0.01427%0.273CS..Hα-helixtrans-62.3-36.5175.6-61.70000112.2L76 R88 R125 I126 A127 A133L76-S129 PolarHBondContact O-OG 3.37Å; R88-S129 PolarHBondContact NE-OG 2.76Å; R88-S129 PolarHBondContact NH2-OG 3.04Å; R125-S129 WeakPolarHBondContact O-CB 3.5Å; R125-S129 PolarHBondContact O-N 2.88Å; R125-S129 PolarHBondContact O-OG 3.16Å; I126-S129 WeakPolarHBondContact O-CB 3.46Å; I126-S129 PolarHBondContact O-N 3.49Å; I126-S129 VanDerWaalsContact O-N 3.16Å; A127-S129 PolarHBondContact O-N 3.45Å; S129-A133 PolarHBondContact O-N 3.32Å; S129-A133 VanDerWaalsContact O-N 3.12Å
130I98.9Very high98.9Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-65.7-48.6173.2-64.9163.8000109.8F108 I126 A127 E128 I132 A133 L134 A142 I144 I164 V168F108-I130 HydrophobicContact CE2-CD1 4.43Å; F108-I130 HydrophobicContact CE2-CG1 4.5Å; F108-I130 HydrophobicContact CZ-CD1 3.79Å; F108-I130 HydrophobicContact CZ-CG1 3.92Å; I126-I130 HydrophobicContact CG2-CD1 4.23Å; I126-I130 WeakPolarHBondContact O-CG1 3.44Å; I126-I130 PolarHBondContact O-N 3.44Å; A127-I130 WeakPolarHBondContact O-CB 3.23Å; A127-I130 PolarHBondContact O-N 3.04Å; E128-I130 VanDerWaalsContact C-N 3.27Å; E128-I130 PolarHBondContact O-N 3.33Å; I130-I132 VanDerWaalsContact C-N 3.31Å; I130-I132 PolarHBondContact O-N 3.34Å; I130-A133 PolarHBondContact O-N 2.91Å; I130-A133 VanDerWaalsContact O-N 3.09Å; I130-L134 HydrophobicContact CG2-CD1 3.71Å; I130-L134 HydrophobicContact CG2-CG 3.94Å; I130-L134 WeakPolarHBondContact O-CB 3.48Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.28Å; I130-L134 PolarHBondContact O-N 3.14Å; I130-A142 HydrophobicContact CG2-CB 3.9Å; I130-I144 HydrophobicContact CD1-CD1 4.2Å; I130-I144 HydrophobicContact CD1-CG1 4.21Å; I130-I164 HydrophobicContact CD1-CG2 3.46Å; I130-I164 VanDerWaalsContact CD1-CG2 3.46Å; I130-V168 HydrophobicContact CB-CG2 3.96Å; I130-V168 HydrophobicContact CD1-CG2 4.04Å; I130-V168 HydrophobicContact CG2-CG1 4.13Å; I130-V168 HydrophobicContact CG2-CG2 3.69Å
131N99Very high98.9Very high12 Ų1241 Ų416%0.06422%0.223CC..Hα-helixtrans-53.5-49.1177.3-70-28.5000111.5A127 E128 A133 L134 D135 G167 V168 E169A127-N131 PolarHBondContact O-N 3Å; A127-N131 PolarHBondContact O-ND2 3.02Å; E128-N131 PolarHBondContact O-N 2.85Å; N131-A133 VanDerWaalsContact C-N 3.34Å; N131-A133 PolarHBondContact O-N 3.29Å; N131-L134 PolarHBondContact O-N 3.08Å; N131-D135 PolarHBondContact O-N 3.06Å; N131-G167 PolarHBondContact ND2-O 2.81Å; N131-G167 VanDerWaalsContact ND2-O 3.07Å; N131-V168 VanDerWaalsContact OD1-CA 3.28Å; N131-V168 WeakPolarHBondContact OD1-CA 3.14Å; N131-E169 PolarHBondContact OD1-N 3.3Å
132I98.9Very high98.9Very high40 Ų4036.8 Ų36.821%0.20520%0.201CC..Hα-helixtrans-57.4-45.5177.4-68.4165.1000111.3I92 E128 I130 D135 K136I92-I132 HydrophobicContact CD1-CG2 4.01Å; E128-I132 HydrophobicContact CG-CD1 4.01Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.43Å; E128-I132 PolarHBondContact O-N 3.27Å; I130-I132 VanDerWaalsContact C-N 3.31Å; I130-I132 PolarHBondContact O-N 3.34Å; I132-D135 PolarHBondContact O-N 3.37Å; I132-K136 VanDerWaalsContact O-CG 3.27Å; I132-K136 WeakPolarHBondContact O-CG 3.37Å; I132-K136 PolarHBondContact O-N 3.33Å
133A98.9Very high98.9Very high1 Ų136.8 Ų36.81%0.00820%0.201CC..Hα-helixtrans-68.5-39-18000000112.6F91 I92 M95 S129 I130 N131 D135 K136 T137F91-A133 HydrophobicContact CD1-CB 3.67Å; F91-A133 HydrophobicContact CE1-CB 3.85Å; I92-A133 HydrophobicContact CG1-CB 4.09Å; M95-A133 HydrophobicContact CG-CB 4.49Å; S129-A133 PolarHBondContact O-N 3.32Å; S129-A133 VanDerWaalsContact O-N 3.12Å; I130-A133 PolarHBondContact O-N 2.91Å; I130-A133 VanDerWaalsContact O-N 3.09Å; N131-A133 VanDerWaalsContact C-N 3.34Å; N131-A133 PolarHBondContact O-N 3.29Å; A133-D135 VanDerWaalsContact C-N 3.34Å; A133-K136 PolarHBondContact O-N 2.79Å; A133-T137 PolarHBondContact O-N 2.78Å; A133-T137 PolarHBondContact O-OG1 2.88Å
134L98.9Very high98.9Very high3 Ų336 Ų362%0.01620%0.197CC..Hα-helixtrans-66-35.8176.7-68-173.5000111.6M95 I130 N131 K136 T137 A142 V168 D170 R173M95-L134 HydrophobicContact CE-CD2 3.83Å; I130-L134 HydrophobicContact CG2-CD1 3.71Å; I130-L134 HydrophobicContact CG2-CG 3.94Å; I130-L134 WeakPolarHBondContact O-CB 3.48Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.28Å; I130-L134 PolarHBondContact O-N 3.14Å; N131-L134 PolarHBondContact O-N 3.08Å; L134-K136 PolarHBondContact O-N 2.96Å; L134-T137 PolarHBondContact O-N 2.72Å; L134-A142 HydrophobicContact CD2-CB 4.49Å; L134-V168 HydrophobicContact CD1-CG1 3.95Å; L134-D170 HydrophobicContact CD1-CB 4.39Å; L134-R173 HydrophobicContact CD1-CB 4.09Å; L134-R173 HydrophobicContact CD2-CB 3.82Å; L134-R173 PolarHBondContact O-NH1 3.16Å; L134-R173 PolarHBondContact O-NH2 3.12Å
135D98.8Very high98.9Very high125 Ų12533.1 Ų33.167%0.66817%0.173SC*.Hα-helixtrans-67.9-18.6174.3-82.3-7.1000113.8N131 I132 A133N131-D135 PolarHBondContact O-N 3.06Å; I132-D135 PolarHBondContact O-N 3.37Å; A133-D135 VanDerWaalsContact C-N 3.34Å
136K98.7Very high98.9Very high140 Ų14030.1 Ų30.161%0.60916%0.161SC*.THydrogen-bonded Turntrans-103.1-3.6-178.1-61.6-60.5177.5-165.10114.1I92 I132 A133 L134I92-K136 HydrophobicContact CD1-CG 4.42Å; I92-K136 HydrophobicContact CG2-CB 4.25Å; I132-K136 VanDerWaalsContact O-CG 3.27Å; I132-K136 WeakPolarHBondContact O-CG 3.37Å; I132-K136 PolarHBondContact O-N 3.33Å; A133-K136 PolarHBondContact O-N 2.79Å; L134-K136 PolarHBondContact O-N 2.96Å
137T98.8Very high98.9Very high5 Ų530.3 Ų30.33%0.03116%0.163CC..  trans-139.9162.8-173.760.20000111.7M95 Q96 A133 L134 R173M95-T137 HydrophobicContact CB-CG2 3.78Å; Q96-T137 HydrophobicContact CG-CG2 3.75Å; A133-T137 PolarHBondContact O-N 2.78Å; A133-T137 PolarHBondContact O-OG1 2.88Å; L134-T137 PolarHBondContact O-N 2.72Å; T137-R173 PolarHBondContact O-NH1 3.33Å
138Q98.7Very high98.9Very high147 Ų14730.3 Ų30.369%0.68716%0.163SC*.SBendtrans-129.3147.7176.9-64.3178.543.400111.3E99 V140E99-Q138 PolarHBondContact OE2-N 3.01Å; Q138-V140 PolarHBondContact O-N 3.36Å
139G98.5Very high98.8Very high59 Ų5926.2 Ų26.261%0.60814%0.144SC*.SBendtrans73.7-10171.400000117.1
140V98.9Very high98.7Very high1 Ų130 Ų301%0.00616%0.161CC..  trans-99.1131178-169.50000110.9M95 C98 E99 L106 Q138M95-V140 HydrophobicContact CE-CB 3.79Å; M95-V140 HydrophobicContact CE-CG1 3.74Å; M95-V140 HydrophobicContact SD-CB 4.23Å; M95-V140 HydrophobicContact SD-CG1 3.57Å; M95-V140 VanDerWaalsContact SD-CG1 3.57Å; C98-V140 HydrophobicContact CB-CG1 3.92Å; C98-V140 HydrophobicContact CB-CG2 3.95Å; E99-V140 HydrophobicContact CB-CG2 3.95Å; L106-V140 HydrophobicContact CB-CG1 4.24Å; Q138-V140 PolarHBondContact O-N 3.36Å
141T99Very high98.6Very high7 Ų734 Ų344%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-92.4129.2174-57.30000110S104 L105 L106 V143 R173 R213S104-T141 PolarHBondContact O-N 3.44Å; L105-T141 HydrophobicContact CD2-CG2 4.47Å; L106-T141 PolarHBondContact N-O 3.19Å; T141-V143 HydrophobicContact CG2-CG2 4.12Å; T141-V143 PolarHBondContact O-N 2.87Å; T141-R173 CarbonylContact C-O 3.49Å; T141-R173 WeakPolarHBondContact CA-O 3.29Å; T141-R173 WeakPolarHBondContact CG2-O 3.23Å; T141-R213 PolarHBondContact OG1-NH1 3.2Å; T141-R213 PolarHBondContact OG1-NH2 2.63Å
142A99Very high98.6Very high0 Ų034.1 Ų34.10%020%0.204CC..EExtended strand (participates in β ladder)trans-75.9113.2168.900000109.6F91 M95 F108 I130 L134 R173 V174 G175F91-A142 HydrophobicContact CZ-CB 4.46Å; M95-A142 HydrophobicContact CE-CB 4.47Å; F108-A142 HydrophobicContact CE1-CB 3.82Å; F108-A142 HydrophobicContact CZ-CB 4.38Å; I130-A142 HydrophobicContact CG2-CB 3.9Å; L134-A142 HydrophobicContact CD2-CB 4.49Å; A142-R173 PolarHBondContact N-O 3.2Å; A142-V174 CarbonylContact O-C 3.52Å; A142-V174 WeakPolarHBondContact O-CA 3.37Å; A142-G175 PolarHBondContact O-N 3.4Å
143V99Very high98.6Very high0 Ų034.8 Ų34.80%021%0.208CC..EExtended strand (participates in β ladder)trans-105107.1-176.5-175.50000109.7L67 L105 L106 N107 F108 T141 G175 V176 C177 R213L67-V143 HydrophobicContact CD1-CG1 4.43Å; L67-V143 HydrophobicContact CD1-CG2 4.43Å; L105-V143 HydrophobicContact CB-CG2 4.11Å; L105-V143 HydrophobicContact CD2-CG2 3.97Å; L106-V143 WeakPolarHBondContact O-CB 3.48Å; L106-V143 PolarHBondContact O-N 2.92Å; N107-V143 WeakPolarHBondContact CA-O 3.46Å; F108-V143 VanDerWaalsContact CD1-O 3.22Å; F108-V143 WeakPolarHBondContact CD1-O 3.27Å; F108-V143 WeakPolarHBondContact CE1-O 3.47Å; F108-V143 PolarHBondContact N-O 3.07Å; T141-V143 HydrophobicContact CG2-CG2 4.12Å; T141-V143 PolarHBondContact O-N 2.87Å; V143-G175 WeakPolarHBondContact CA-O 3.34Å; V143-V176 VanDerWaalsContact CG1-C 3.42Å; V143-C177 HydrophobicContact CG1-CB 3.78Å; V143-R213 HydrophobicContact CG1-CB 4.16Å; V143-R213 HydrophobicContact CG2-CB 3.98Å
144I98.9Very high98.6Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-83.2117.2-175.7-46.4156.7000109.3F108 P110 I130 L161 I164 I165 V174 G175 V176 C177F108-I144 HydrophobicContact CE1-CG1 4.12Å; F108-I144 HydrophobicContact CE2-CG1 4.46Å; F108-I144 HydrophobicContact CZ-CB 4.34Å; F108-I144 HydrophobicContact CZ-CG1 3.67Å; P110-I144 HydrophobicContact CB-CG2 3.8Å; P110-I144 HydrophobicContact CG-CG2 4.07Å; I130-I144 HydrophobicContact CD1-CD1 4.2Å; I130-I144 HydrophobicContact CD1-CG1 4.21Å; I144-L161 HydrophobicContact CB-CD2 4.36Å; I144-L161 HydrophobicContact CG2-CD2 3.63Å; I144-I164 HydrophobicContact CD1-CB 4.07Å; I144-I164 HydrophobicContact CD1-CG2 3.54Å; I144-I164 HydrophobicContact CG1-CG2 4.47Å; I144-I164 HydrophobicContact CG2-CD1 4.29Å; I144-I165 HydrophobicContact CD1-CG1 4.02Å; I144-V174 HydrophobicContact CD1-CG2 3.66Å; I144-V174 HydrophobicContact CG1-CG2 4.2Å; I144-G175 PolarHBondContact N-O 3.22Å; I144-V176 HydrophobicContact CB-CG1 4.44Å; I144-V176 CarbonylContact O-C 3.36Å; I144-V176 WeakPolarHBondContact O-CA 3.38Å; I144-V176 WeakPolarHBondContact O-CB 3.46Å; I144-C177 PolarHBondContact O-N 3.35Å
145E98.9Very high98.6Very high0 Ų034.6 Ų34.60%021%0.207CC..EExtended strand (participates in β ladder)trans-84139.2175.8-158.3-168.6122.800111.5H69 N107 F108 H109 P110 C177 D179 H182 H216H69-E145 IonicContact CD2-OE2 3.4Å; H69-E145 IonicContact NE2-OE2 3.25Å; H69-E145 PolarHBondContact NE2-OE2 3.25Å; N107-E145 PolarHBondContact ND2-OE2 3.26Å; F108-E145 PolarHBondContact O-N 2.92Å; H109-E145 IonicContact CD2-OE1 3.12Å; H109-E145 IonicContact CD2-OE2 3.71Å; H109-E145 PolarHBondContact CD2-OE2 3.18Å; H109-E145 IonicContact CE1-OE1 3.33Å; H109-E145 IonicContact NE2-OE1 3.16Å; H109-E145 PolarHBondContact NE2-OE1 2.89Å; H109-E145 IonicContact NE2-OE2 3.84Å; H109-E145 PolarHBondContact NE2-OE2 3.07Å; H109-E145 VanDerWaalsContact NE2-OE2 3.16Å; P110-E145 WeakPolarHBondContact CD-O 3.33Å; E145-C177 WeakPolarHBondContact CA-O 3.44Å; E145-C177 HydrophobicContact CB-CB 4.33Å; E145-C177 HydrophobicContact CG-CB 4.09Å; E145-D179 HydrophobicContact CG-CB 4.33Å; E145-H182 IonicContact OE1-CE1 3.5Å; E145-H182 PolarHBondContact OE1-CE1 3.27Å; E145-H182 IonicContact OE1-ND1 3.53Å; E145-H182 PolarHBondContact OE1-ND1 3.15Å; E145-H216 IonicContact OE1-ND1 3.16Å; E145-H216 IonicContact OE2-CE1 3.56Å; E145-H216 PolarHBondContact OE2-CE1 3.37Å; E145-H216 IonicContact OE2-ND1 4Å; E145-H216 PolarHBondContact OE2-ND1 3.47Å
146N98.9Very high98.6Very high1 Ų129.3 Ų29.31%0.00518%0.178CC..PPolyproline II helixtrans-67.4154.9164.573.6-61.7000110.3G155 L161 C177 I178 D179 H182 A183N146-G155 VanDerWaalsContact CA-O 3.24Å; N146-G155 WeakPolarHBondContact CA-O 3.48Å; N146-G155 VanDerWaalsContact CB-O 3.32Å; N146-G155 WeakPolarHBondContact CB-O 3.22Å; N146-L161 HydrophobicContact CB-CD1 4.13Å; N146-C177 PolarHBondContact N-O 2.7Å; N146-C177 PolarHBondContact OD1-O 3.21Å; N146-I178 HydrophobicContact CB-CD1 4.21Å; N146-I178 VanDerWaalsContact OD1-CA 3.24Å; N146-I178 WeakPolarHBondContact OD1-CA 3.47Å; N146-D179 PolarHBondContact ND2-O 3.09Å; N146-D179 PolarHBondContact OD1-N 3.31Å; N146-H182 WeakPolarHBondContact ND2-CB 3.29Å; N146-H182 PolarHBondContact O-ND1 3.37Å; N146-A183 PolarHBondContact ND2-N 2.87Å; N146-A183 VanDerWaalsContact ND2-N 3.13Å
147T98.8Very high98.6Very high4 Ų426.8 Ų26.83%0.02517%0.167CC..  trans-122.2162.6-179.576.20000111.4H109 P110 G149 L154 G155 F156H109-T147 HydrophobicContact CB-CG2 4.13Å; P110-T147 HydrophobicContact CG-CG2 4.39Å; T147-G149 PolarHBondContact O-N 3.14Å; T147-G149 PolarHBondContact OG1-N 3.19Å; T147-G149 VanDerWaalsContact OG1-N 3.11Å; T147-L154 WeakPolarHBondContact CG2-O 3.39Å; T147-L154 PolarHBondContact OG1-O 3.09Å; T147-G155 PolarHBondContact N-O 3.34Å; T147-F156 WeakPolarHBondContact O-CA 3.45Å; T147-F156 WeakPolarHBondContact O-CB 3.43Å
148A98.7Very high98.6Very high3 Ų326.6 Ų26.63%0.02517%0.166CC..  trans-64.6-13.7168.900000112.8A185 R227 D229A148-A185 HydrophobicContact CB-CB 3.73Å; A148-R227 WeakPolarHBondContact O-CA 3.39Å; A148-R227 WeakPolarHBondContact O-CB 3.45Å; A148-D229 HydrophobicContact CB-CB 3.79Å
149G98.5Very high98.6Very high1 Ų124 Ų241%0.0115%0.154CC..  trans73.931.1-177.200000113.6T147 R227T147-G149 PolarHBondContact O-N 3.14Å; T147-G149 PolarHBondContact OG1-N 3.19Å; T147-G149 VanDerWaalsContact OG1-N 3.11Å; G149-R227 PolarHBondContact O-NE 3.15Å; G149-R227 PolarHBondContact O-NH2 3.34Å
150Q97Very high98.6Very high81 Ų8121.8 Ų21.838%0.37913%0.128SC..  trans-61.4140.9175-82.5-175.6102.500112.2S152 N153 R227Q150-S152 PolarHBondContact O-N 3.01Å; Q150-N153 VanDerWaalsContact O-CB 3.32Å; Q150-N153 WeakPolarHBondContact O-CB 3.47Å; Q150-N153 PolarHBondContact O-N 3.22Å; Q150-N153 PolarHBondContact O-OD1 2.97Å; Q150-N153 VanDerWaalsContact O-OD1 3.11Å; Q150-R227 WeakPolarHBondContact CG-O 3.14Å
151G96.9Very high98.6Very high83 Ų8321.7 Ų21.786%0.85613%0.127SC*.THydrogen-bonded Turntrans58.1-106.917600000112.4
152S98.3Very high98.6Very high16 Ų1622.1 Ų22.111%0.11213%0.131CC..THydrogen-bonded Turntrans-119.114.9179.662.20000112.9S112 H113 L114 Q150S112-S152 WeakPolarHBondContact CA-O 3.3Å; S112-S152 VanDerWaalsContact CB-O 3.27Å; S112-S152 WeakPolarHBondContact CB-O 3.33Å; H113-S152 PolarHBondContact CD2-O 3.27Å; H113-S152 PolarHBondContact N-O 2.82Å; H113-S152 VanDerWaalsContact N-O 3.14Å; H113-S152 WeakPolarHBondContact NE2-CB 3.31Å; L114-S152 VanDerWaalsContact CA-OG 3.3Å; L114-S152 WeakPolarHBondContact CA-OG 3.29Å; L114-S152 PolarHBondContact N-OG 3.37Å; L114-S152 VanDerWaalsContact N-OG 3.07Å; Q150-S152 PolarHBondContact O-N 3.01Å
153N98.7Very high98.6Very high53 Ų5324.1 Ų24.128%0.28315%0.148SC..BIsolated β-bridgetrans-67.3133.1176.8-70.448.1000110Q150 F156Q150-N153 VanDerWaalsContact O-CB 3.32Å; Q150-N153 WeakPolarHBondContact O-CB 3.47Å; Q150-N153 PolarHBondContact O-N 3.22Å; Q150-N153 PolarHBondContact O-OD1 2.97Å; Q150-N153 VanDerWaalsContact O-OD1 3.11Å; N153-F156 VanDerWaalsContact O-CD1 3.26Å; N153-F156 WeakPolarHBondContact O-CD1 3.35Å
154L98.8Very high98.6Very high0 Ų024.1 Ų24.10%015%0.148CC..  trans-94.8-173.3171.6-58.9-174.4000110.2G111 E119 C122 L123 T147 F156G111-L154 PolarHBondContact O-N 3.23Å; E119-L154 HydrophobicContact CB-CD1 4.21Å; E119-L154 HydrophobicContact CB-CD2 4.24Å; E119-L154 HydrophobicContact CG-CD2 3.84Å; C122-L154 HydrophobicContact CB-CD1 3.6Å; L123-L154 HydrophobicContact CD2-CB 4.18Å; L123-L154 HydrophobicContact CD2-CD1 3.85Å; L123-L154 HydrophobicContact CG-CD1 3.88Å; T147-L154 WeakPolarHBondContact CG2-O 3.39Å; T147-L154 PolarHBondContact OG1-O 3.09Å; L154-F156 HydrophobicContact CD2-CE1 4.12Å; L154-F156 PolarHBondContact O-N 3.19Å
155G98.8Very high98.6Very high0 Ų024.3 Ų24.30%015%0.149CC..  trans81.2-5.3-173.400000115N146 T147 K157 H160N146-G155 VanDerWaalsContact CA-O 3.24Å; N146-G155 WeakPolarHBondContact CA-O 3.48Å; N146-G155 VanDerWaalsContact CB-O 3.32Å; N146-G155 WeakPolarHBondContact CB-O 3.22Å; T147-G155 PolarHBondContact N-O 3.34Å; G155-K157 PolarHBondContact O-N 3.39Å; G155-H160 PolarHBondContact N-ND1 3.35Å
156F98.8Very high98.6Very high14 Ų1429.9 Ų29.96%0.06118%0.179CC..SBendtrans-74.5-8.6177.969.3-90.4000114.8T147 N153 L154 H160 A186 Y188T147-F156 WeakPolarHBondContact O-CA 3.45Å; T147-F156 WeakPolarHBondContact O-CB 3.43Å; N153-F156 VanDerWaalsContact O-CD1 3.26Å; N153-F156 WeakPolarHBondContact O-CD1 3.35Å; L154-F156 HydrophobicContact CD2-CE1 4.12Å; L154-F156 PolarHBondContact O-N 3.19Å; F156-H160 AromaticContact CD1-CE1 3.94Å; F156-H160 AromaticContact CD1-ND1 3.95Å; F156-H160 AromaticContact CE1-CE1 3.42Å; F156-H160 VanDerWaalsContact CE1-CE1 3.42Å; F156-H160 WeakPolarHBondContact CE1-CE1 3.36Å; F156-H160 AromaticContact CE1-ND1 3.89Å; F156-H160 AromaticContact CZ-CE1 3.54Å; F156-A186 HydrophobicContact CB-CB 3.93Å; F156-A186 VanDerWaalsContact O-CB 3.3Å; F156-A186 WeakPolarHBondContact O-CB 3.34Å; F156-Y188 WeakPolarHBondContact O-CE2 3.24Å
157K98.9Very high98.6Very high88 Ų8831.7 Ų31.738%0.38320%0.198SC..SBendtrans-114.7142.7169.8-66.8-177.5-176.1165.60109G155 E159 H160 Y188G155-K157 PolarHBondContact O-N 3.39Å; K157-E159 PolarHBondContact O-N 3.12Å; K157-H160 VanDerWaalsContact O-CB 3.29Å; K157-H160 WeakPolarHBondContact O-CB 3.47Å; K157-H160 PolarHBondContact O-N 2.98Å; K157-Y188 WeakPolarHBondContact CA-OH 3.33Å
158F98.9Very high98.6Very high0 Ų031.6 Ų31.60%020%0.197CC..Hα-helixtrans-58.5-32.1171.8-60.5-30.8000111.9H160 L161 A162 I178 Y188 T199 F203 I206 V207F158-H160 PolarHBondContact O-N 2.98Å; F158-L161 HydrophobicContact CD1-CD1 4.42Å; F158-L161 WeakPolarHBondContact O-CB 3.32Å; F158-L161 PolarHBondContact O-N 3.45Å; F158-L161 VanDerWaalsContact O-N 3.11Å; F158-A162 PolarHBondContact O-N 3.36Å; F158-I178 HydrophobicContact CD1-CD1 4.32Å; F158-I178 HydrophobicContact CE1-CD1 3.89Å; F158-Y188 HydrophobicContact CD1-CE2 4.3Å; F158-Y188 HydrophobicContact CD2-CD1 4.2Å; F158-Y188 AromaticContact CD2-CE1 3.49Å; F158-Y188 HydrophobicContact CD2-CE1 3.49Å; F158-Y188 VanDerWaalsContact CD2-CE1 3.49Å; F158-Y188 HydrophobicContact CD2-CE2 4.37Å; F158-Y188 AromaticContact CD2-CZ 3.59Å; F158-Y188 HydrophobicContact CE1-CD2 4.34Å; F158-Y188 HydrophobicContact CE1-CE2 4.1Å; F158-Y188 AromaticContact CE2-CD1 3.53Å; F158-Y188 HydrophobicContact CE2-CD1 3.53Å; F158-Y188 HydrophobicContact CE2-CD2 4.38Å; F158-Y188 AromaticContact CE2-CE1 3.31Å; F158-Y188 HydrophobicContact CE2-CE1 3.31Å; F158-Y188 HydrophobicContact CE2-CE2 4.19Å; F158-Y188 HydrophobicContact CE2-CG 4.07Å; F158-Y188 AromaticContact CE2-CZ 3.67Å; F158-Y188 HydrophobicContact CG-CE1 4.25Å; F158-Y188 HydrophobicContact CG-CE2 4.42Å; F158-Y188 AromaticContact CG-CZ 3.87Å; F158-Y188 AromaticContact CZ-CD1 3.9Å; F158-Y188 HydrophobicContact CZ-CD1 3.9Å; F158-Y188 HydrophobicContact CZ-CD2 4.03Å; F158-Y188 AromaticContact CZ-CE1 3.94Å; F158-Y188 HydrophobicContact CZ-CE1 3.94Å; F158-Y188 HydrophobicContact CZ-CE2 4.05Å; F158-Y188 AromaticContact CZ-CG 3.94Å; F158-Y188 HydrophobicContact CZ-CG 3.94Å; F158-Y188 PolarHBondContact N-OH 3.44Å; F158-T199 HydrophobicContact CE2-CG2 4.28Å; F158-T199 HydrophobicContact CZ-CG2 4.1Å; F158-F203 HydrophobicContact CD1-CD2 4.05Å; F158-F203 HydrophobicContact CD2-CB 3.96Å; F158-F203 HydrophobicContact CE1-CD2 4.17Å; F158-F203 HydrophobicContact CE2-CB 3.72Å; F158-F203 HydrophobicContact CG-CD2 4.26Å; F158-F203 HydrophobicContact CZ-CB 4.07Å; F158-F203 HydrophobicContact CZ-CD2 4.46Å; F158-I206 VanDerWaalsContact C-CG2 3.48Å; F158-I206 HydrophobicContact CB-CB 4.08Å; F158-I206 HydrophobicContact CB-CD1 4.07Å; F158-I206 HydrophobicContact CB-CG2 3.82Å; F158-I206 HydrophobicContact CD2-CD1 4.38Å; F158-V207 HydrophobicContact CB-CG2 4.06Å; F158-V207 WeakPolarHBondContact O-CG2 3.39Å
159E98.9Very high98.6Very high94 Ų9438.7 Ų38.744%0.43923%0.229SC..Hα-helixtrans-62.7-30.2175-68.283.1172.800112.6K157 A163 I206K157-E159 PolarHBondContact O-N 3.12Å; E159-A163 VanDerWaalsContact O-CB 3.31Å; E159-A163 WeakPolarHBondContact O-CB 3.4Å; E159-A163 PolarHBondContact O-N 2.95Å; E159-I206 HydrophobicContact CB-CG2 4.41Å; E159-I206 HydrophobicContact CG-CG2 3.93Å; E159-I206 VanDerWaalsContact OE1-CD1 3.24Å; E159-I206 WeakPolarHBondContact OE1-CD1 3.16Å
160H98.9Very high98.6Very high11 Ų1141.3 Ų41.35%0.05124%0.243CC..Hα-helixtrans-67.3-42.4174.1-62.4168.1000110.8E119 L123 G155 F156 K157 F158 A163 I164E119-H160 IonicContact OE2-CE1 2.7Å; E119-H160 IonicContact OE2-NE2 3.73Å; L123-H160 HydrophobicContact CD1-CB 4.34Å; L123-H160 HydrophobicContact CD2-CB 3.79Å; G155-H160 PolarHBondContact N-ND1 3.35Å; F156-H160 AromaticContact CD1-CE1 3.94Å; F156-H160 AromaticContact CD1-ND1 3.95Å; F156-H160 AromaticContact CE1-CE1 3.42Å; F156-H160 VanDerWaalsContact CE1-CE1 3.42Å; F156-H160 WeakPolarHBondContact CE1-CE1 3.36Å; F156-H160 AromaticContact CE1-ND1 3.89Å; F156-H160 AromaticContact CZ-CE1 3.54Å; K157-H160 VanDerWaalsContact O-CB 3.29Å; K157-H160 WeakPolarHBondContact O-CB 3.47Å; K157-H160 PolarHBondContact O-N 2.98Å; F158-H160 PolarHBondContact O-N 2.98Å; H160-A163 PolarHBondContact O-N 2.96Å; H160-I164 WeakPolarHBondContact O-CD1 3.24Å; H160-I164 VanDerWaalsContact O-CG1 3.31Å; H160-I164 WeakPolarHBondContact O-CG1 3.47Å; H160-I164 PolarHBondContact O-N 3.48Å; H160-I164 VanDerWaalsContact O-N 3.1Å
161L98.9Very high98.7Very high0 Ų041 Ų410%024%0.241CC..Hα-helixtrans-64.5-45.4177.4-53-177.2000110.9I144 N146 F158 A163 I164 I165 V176 I178 V207I144-L161 HydrophobicContact CB-CD2 4.36Å; I144-L161 HydrophobicContact CG2-CD2 3.63Å; N146-L161 HydrophobicContact CB-CD1 4.13Å; F158-L161 HydrophobicContact CD1-CD1 4.42Å; F158-L161 WeakPolarHBondContact O-CB 3.32Å; F158-L161 PolarHBondContact O-N 3.45Å; F158-L161 VanDerWaalsContact O-N 3.11Å; L161-A163 PolarHBondContact O-N 3.32Å; L161-I164 PolarHBondContact O-N 3.49Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.06Å; L161-V176 HydrophobicContact CB-CG1 4.24Å; L161-V176 HydrophobicContact CD1-CB 4.46Å; L161-V176 HydrophobicContact CD1-CG1 4.18Å; L161-I178 HydrophobicContact CD1-CD1 4.08Å; L161-V207 HydrophobicContact CB-CG2 4.06Å
162A98.9Very high98.8Very high15 Ų1541.1 Ų41.112%0.12423%0.228CC..Hα-helixtrans-58.8-46.417600000111.9F158 I164 I165 D166 I206 V207F158-A162 PolarHBondContact O-N 3.36Å; A162-I164 VanDerWaalsContact C-N 3.32Å; A162-I164 PolarHBondContact O-N 3.11Å; A162-I165 PolarHBondContact O-N 3.35Å; A162-D166 PolarHBondContact O-N 3.48Å; A162-I206 HydrophobicContact CB-CG2 3.99Å; A162-I206 WeakPolarHBondContact CB-O 3.46Å; A162-V207 HydrophobicContact CB-CG2 4.33Å
163A98.9Very high98.8Very high43 Ų4342.2 Ų42.236%0.35523%0.23SC..Hα-helixtrans-61.2-38.1178.400000113L123 E159 H160 L161 G167L123-A163 HydrophobicContact CD1-CB 4.14Å; E159-A163 VanDerWaalsContact O-CB 3.31Å; E159-A163 WeakPolarHBondContact O-CB 3.4Å; E159-A163 PolarHBondContact O-N 2.95Å; H160-A163 PolarHBondContact O-N 2.96Å; L161-A163 PolarHBondContact O-N 3.32Å; A163-G167 PolarHBondContact O-N 2.94Å
164I98.9Very high98.9Very high0 Ų039.8 Ų39.80%022%0.217CC..Hα-helixtrans-65.1-49.7174.4-65.7160.9000110P110 L123 I126 A127 I130 I144 H160 L161 A162 D166 G167 V168P110-I164 HydrophobicContact CB-CD1 3.7Å; L123-I164 HydrophobicContact CB-CG1 4.29Å; L123-I164 HydrophobicContact CD2-CD1 3.77Å; L123-I164 HydrophobicContact CD2-CG1 3.79Å; I126-I164 HydrophobicContact CB-CD1 4.39Å; I126-I164 HydrophobicContact CB-CG1 4.32Å; I126-I164 HydrophobicContact CD1-CD1 4.47Å; I126-I164 HydrophobicContact CG2-CD1 3.86Å; I126-I164 HydrophobicContact CG2-CG1 4.11Å; I126-I164 HydrophobicContact CG2-CG2 3.98Å; A127-I164 HydrophobicContact CB-CG2 4.34Å; A127-I164 WeakPolarHBondContact CB-O 3.41Å; I130-I164 HydrophobicContact CD1-CG2 3.46Å; I130-I164 VanDerWaalsContact CD1-CG2 3.46Å; I144-I164 HydrophobicContact CD1-CB 4.07Å; I144-I164 HydrophobicContact CD1-CG2 3.54Å; I144-I164 HydrophobicContact CG1-CG2 4.47Å; I144-I164 HydrophobicContact CG2-CD1 4.29Å; H160-I164 WeakPolarHBondContact O-CD1 3.24Å; H160-I164 VanDerWaalsContact O-CG1 3.31Å; H160-I164 WeakPolarHBondContact O-CG1 3.47Å; H160-I164 PolarHBondContact O-N 3.48Å; H160-I164 VanDerWaalsContact O-N 3.1Å; L161-I164 PolarHBondContact O-N 3.49Å; A162-I164 VanDerWaalsContact C-N 3.32Å; A162-I164 PolarHBondContact O-N 3.11Å; I164-D166 VanDerWaalsContact C-N 3.26Å; I164-D166 PolarHBondContact O-N 2.86Å; I164-G167 PolarHBondContact O-N 3.29Å; I164-G167 VanDerWaalsContact O-N 3.09Å; I164-V168 WeakPolarHBondContact O-CG2 3.44Å; I164-V168 PolarHBondContact O-N 2.94Å
165I98.9Very high98.9Very high3 Ų339.8 Ų39.82%0.01522%0.217CC..Hα-helixtrans-58.1-39.7179.5-68.4164.1000111.2I144 L161 A162 G167 V168 K171 V174 V176 V207 Y211I144-I165 HydrophobicContact CD1-CG1 4.02Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.06Å; A162-I165 PolarHBondContact O-N 3.35Å; I165-G167 VanDerWaalsContact C-N 3.27Å; I165-G167 PolarHBondContact O-N 2.7Å; I165-V168 PolarHBondContact O-N 3.3Å; I165-V168 VanDerWaalsContact O-N 3.14Å; I165-K171 WeakPolarHBondContact O-CE 3.36Å; I165-K171 PolarHBondContact O-NZ 3.04Å; I165-V174 HydrophobicContact CG1-CG1 4.22Å; I165-V174 HydrophobicContact CG1-CG2 4.13Å; I165-V174 HydrophobicContact CG2-CG1 4.09Å; I165-V176 HydrophobicContact CD1-CG1 3.84Å; I165-V207 HydrophobicContact CD1-CG1 3.89Å; I165-Y211 HydrophobicContact CD1-CD2 4.11Å; I165-Y211 HydrophobicContact CD1-CG 4.12Å; I165-Y211 HydrophobicContact CG2-CD1 4.47Å; I165-Y211 HydrophobicContact CG2-CD2 4.43Å; I165-Y211 HydrophobicContact CG2-CE1 3.92Å; I165-Y211 HydrophobicContact CG2-CE2 3.82Å
166D98.8Very high98.9Very high118 Ų11839.8 Ų39.863%0.63122%0.217SC*.Hα-helixtrans-59.5-39.4178-77.6-19.5000111.8A162 I164 K171A162-D166 PolarHBondContact O-N 3.48Å; I164-D166 VanDerWaalsContact C-N 3.26Å; I164-D166 PolarHBondContact O-N 2.86Å; D166-K171 PolarHBondContact O-NZ 3.45Å
167G98.8Very high98.9Very high39 Ų3939.1 Ų39.140%0.40221%0.214SC..Hα-helixtrans-77.8-11.8176.500000115.7N131 A163 I164 I165N131-G167 PolarHBondContact ND2-O 2.81Å; N131-G167 VanDerWaalsContact ND2-O 3.07Å; A163-G167 PolarHBondContact O-N 2.94Å; I164-G167 PolarHBondContact O-N 3.29Å; I164-G167 VanDerWaalsContact O-N 3.09Å; I165-G167 VanDerWaalsContact C-N 3.27Å; I165-G167 PolarHBondContact O-N 2.7Å
168V98.9Very high98.9Very high1 Ų135 Ų351%0.00620%0.196CC..  trans-80.3130.4176.5174.70000110.7I130 N131 L134 I164 I165 K171 V174I130-V168 HydrophobicContact CB-CG2 3.96Å; I130-V168 HydrophobicContact CD1-CG2 4.04Å; I130-V168 HydrophobicContact CG2-CG1 4.13Å; I130-V168 HydrophobicContact CG2-CG2 3.69Å; N131-V168 VanDerWaalsContact OD1-CA 3.28Å; N131-V168 WeakPolarHBondContact OD1-CA 3.14Å; L134-V168 HydrophobicContact CD1-CG1 3.95Å; I164-V168 WeakPolarHBondContact O-CG2 3.44Å; I164-V168 PolarHBondContact O-N 2.94Å; I165-V168 PolarHBondContact O-N 3.3Å; I165-V168 VanDerWaalsContact O-N 3.14Å; V168-K171 WeakPolarHBondContact O-CG 3.42Å; V168-K171 PolarHBondContact O-NZ 3.05Å; V168-V174 HydrophobicContact CB-CG1 4.37Å; V168-V174 HydrophobicContact CG1-CB 4.12Å; V168-V174 HydrophobicContact CG1-CG1 4.21Å; V168-V174 HydrophobicContact CG2-CG2 4.25Å
169E98.8Very high98.9Very high152 Ų15235 Ų3571%0.7120%0.196SC*.SBendtrans-72.9-58.4-178.9-63.7-175.6-169.800111.8N131 K171N131-E169 PolarHBondContact OD1-N 3.3Å; E169-K171 PolarHBondContact O-N 2.99Å
170D98.8Very high98.9Very high56 Ų5630.5 Ų30.530%0.29918%0.176SC..  trans-83.479.8176-178.99.4000111.2L134 S172 R173L134-D170 HydrophobicContact CD1-CB 4.39Å; D170-S172 PolarHBondContact O-N 2.88Å; D170-S172 WeakPolarHBondContact OD1-CB 3.45Å; D170-S172 PolarHBondContact OD1-N 3.17Å; D170-S172 VanDerWaalsContact OD1-N 3.12Å; D170-S172 PolarHBondContact OD1-OG 3.46Å; D170-R173 PolarHBondContact O-N 2.9Å; D170-R173 VanDerWaalsContact O-N 3.14Å; D170-R173 IonicContact OD2-CZ 3.88Å; D170-R173 IonicContact OD2-NE 2.7Å; D170-R173 PolarHBondContact OD2-NE 2.75Å; D170-R173 IonicContact OD2-NH2 2.91Å; D170-R173 PolarHBondContact OD2-NH2 2.97Å
171K98.8Very high98.9Very high74 Ų7430 Ų3032%0.32217%0.173SC..G310 helixtrans-65-7.2178.5-68.2175.1168.958.90114.1I165 D166 V168 E169 R173 V174 Y211I165-K171 WeakPolarHBondContact O-CE 3.36Å; I165-K171 PolarHBondContact O-NZ 3.04Å; D166-K171 PolarHBondContact O-NZ 3.45Å; V168-K171 WeakPolarHBondContact O-CG 3.42Å; V168-K171 PolarHBondContact O-NZ 3.05Å; E169-K171 PolarHBondContact O-N 2.99Å; K171-R173 VanDerWaalsContact C-N 3.31Å; K171-V174 HydrophobicContact CB-CG1 4.41Å; K171-Y211 HydrophobicContact CB-CE1 4.47Å
172S98.7Very high98.9Very high86 Ų8630.1 Ų30.160%0.60117%0.174SC*.G310 helixtrans-75.8-22.4174.280.50000112.8D170D170-S172 PolarHBondContact O-N 2.88Å; D170-S172 WeakPolarHBondContact OD1-CB 3.45Å; D170-S172 PolarHBondContact OD1-N 3.17Å; D170-S172 VanDerWaalsContact OD1-N 3.12Å; D170-S172 PolarHBondContact OD1-OG 3.46Å
173R98.9Very high98.9Very high39 Ų3929.5 Ų29.515%0.14717%0.168CC..G310 helixtrans-114.325-179.9-67-167.6-62.4150.1-8.2113.3L134 T137 T141 A142 D170 K171L134-R173 HydrophobicContact CD1-CB 4.09Å; L134-R173 HydrophobicContact CD2-CB 3.82Å; L134-R173 PolarHBondContact O-NH1 3.16Å; L134-R173 PolarHBondContact O-NH2 3.12Å; T137-R173 PolarHBondContact O-NH1 3.33Å; T141-R173 CarbonylContact C-O 3.49Å; T141-R173 WeakPolarHBondContact CA-O 3.29Å; T141-R173 WeakPolarHBondContact CG2-O 3.23Å; A142-R173 PolarHBondContact N-O 3.2Å; D170-R173 PolarHBondContact O-N 2.9Å; D170-R173 VanDerWaalsContact O-N 3.14Å; D170-R173 IonicContact OD2-CZ 3.88Å; D170-R173 IonicContact OD2-NE 2.7Å; D170-R173 PolarHBondContact OD2-NE 2.75Å; D170-R173 IonicContact OD2-NH2 2.91Å; D170-R173 PolarHBondContact OD2-NH2 2.97Å; K171-R173 VanDerWaalsContact C-N 3.31Å
174V99Very high98.9Very high2 Ų227.5 Ų27.51%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-119.8142.5163.672.70000109.9A142 I144 I165 V168 K171 Y211A142-V174 CarbonylContact O-C 3.52Å; A142-V174 WeakPolarHBondContact O-CA 3.37Å; I144-V174 HydrophobicContact CD1-CG2 3.66Å; I144-V174 HydrophobicContact CG1-CG2 4.2Å; I165-V174 HydrophobicContact CG1-CG1 4.22Å; I165-V174 HydrophobicContact CG1-CG2 4.13Å; I165-V174 HydrophobicContact CG2-CG1 4.09Å; V168-V174 HydrophobicContact CB-CG1 4.37Å; V168-V174 HydrophobicContact CG1-CB 4.12Å; V168-V174 HydrophobicContact CG1-CG1 4.21Å; V168-V174 HydrophobicContact CG2-CG2 4.25Å; K171-V174 HydrophobicContact CB-CG1 4.41Å; V174-Y211 HydrophobicContact CG1-CD1 4.47Å; V174-Y211 HydrophobicContact CG1-CE1 4.26Å
175G98.9Very high98.9Very high0 Ų027.5 Ų27.50%015%0.152CC..EExtended strand (participates in β ladder)trans-151-172.2173.300000110.7A142 V143 I144 Y211A142-G175 PolarHBondContact O-N 3.4Å; V143-G175 WeakPolarHBondContact CA-O 3.34Å; I144-G175 PolarHBondContact N-O 3.22Å; G175-Y211 CarbonylContact C-O 3.6Å; G175-Y211 WeakPolarHBondContact CA-O 3.4Å
176V99Very high98.9Very high0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans-133.2149.1179.4-59.40000111.5V143 I144 L161 I165 F203 V207 Y211 L212 R213V143-V176 VanDerWaalsContact CG1-C 3.42Å; I144-V176 HydrophobicContact CB-CG1 4.44Å; I144-V176 CarbonylContact O-C 3.36Å; I144-V176 WeakPolarHBondContact O-CA 3.38Å; I144-V176 WeakPolarHBondContact O-CB 3.46Å; L161-V176 HydrophobicContact CB-CG1 4.24Å; L161-V176 HydrophobicContact CD1-CB 4.46Å; L161-V176 HydrophobicContact CD1-CG1 4.18Å; I165-V176 HydrophobicContact CD1-CG1 3.84Å; V176-F203 HydrophobicContact CG2-CE2 3.78Å; V176-F203 HydrophobicContact CG2-CZ 3.61Å; V176-V207 HydrophobicContact CG1-CG1 4.13Å; V176-V207 HydrophobicContact CG2-CG1 4.14Å; V176-Y211 PolarHBondContact N-O 3.45Å; V176-L212 HydrophobicContact CG2-CD1 4.24Å; V176-R213 PolarHBondContact O-N 2.95Å
177C99Very high98.9Very high0 Ų024.3 Ų24.30%015%0.145CC..EExtended strand (participates in β ladder)trans-110.5134.6163.8-178.10000107.9N107 V143 I144 E145 N146 G214 H216N107-C177 WeakPolarHBondContact OD1-CB 3.43Å; V143-C177 HydrophobicContact CG1-CB 3.78Å; I144-C177 PolarHBondContact O-N 3.35Å; E145-C177 WeakPolarHBondContact CA-O 3.44Å; E145-C177 HydrophobicContact CB-CB 4.33Å; E145-C177 HydrophobicContact CG-CB 4.09Å; N146-C177 PolarHBondContact N-O 2.7Å; N146-C177 PolarHBondContact OD1-O 3.21Å; C177-G214 WeakPolarHBondContact CA-O 3.3Å; C177-H216 VanDerWaalsContact SG-CD2 3.52Å
178I98.9Very high98.9Very high2 Ų224 Ų241%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-104.8116.9170-57.5-59.2000109.3N146 F158 L161 A183 F203 L212 G214 M215 H216N146-I178 HydrophobicContact CB-CD1 4.21Å; N146-I178 VanDerWaalsContact OD1-CA 3.24Å; N146-I178 WeakPolarHBondContact OD1-CA 3.47Å; F158-I178 HydrophobicContact CD1-CD1 4.32Å; F158-I178 HydrophobicContact CE1-CD1 3.89Å; L161-I178 HydrophobicContact CD1-CD1 4.08Å; I178-A183 HydrophobicContact CG2-CB 4.49Å; I178-F203 HydrophobicContact CD1-CD2 4Å; I178-F203 HydrophobicContact CD1-CE2 3.74Å; I178-F203 HydrophobicContact CG1-CD2 4.17Å; I178-F203 HydrophobicContact CG1-CE2 3.84Å; I178-F203 HydrophobicContact CG1-CZ 4.24Å; I178-L212 HydrophobicContact CG1-CD1 4.01Å; I178-G214 PolarHBondContact N-O 3.24Å; I178-M215 HydrophobicContact CB-CE 4.05Å; I178-M215 HydrophobicContact CB-SD 3.64Å; I178-M215 HydrophobicContact CG2-CE 4.15Å; I178-M215 HydrophobicContact CG2-SD 4.37Å; I178-M215 WeakPolarHBondContact O-CA 3.16Å; I178-M215 VanDerWaalsContact O-CE 3.25Å; I178-M215 WeakPolarHBondContact O-CE 3.39Å; I178-M215 VanDerWaalsContact O-SD 3.42Å; I178-H216 PolarHBondContact O-N 2.84Å
179D98.9Very high98.9Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-89.4124.1167.1-179.4-54.4000109.8E145 N146 C181 H182 A183 H216 N218 H231E145-D179 HydrophobicContact CG-CB 4.33Å; N146-D179 PolarHBondContact ND2-O 3.09Å; N146-D179 PolarHBondContact OD1-N 3.31Å; D179-C181 WeakPolarHBondContact OD1-CA 3.36Å; D179-C181 WeakPolarHBondContact OD1-CB 3.3Å; D179-C181 PolarHBondContact OD1-N 2.89Å; D179-H182 HydrophobicContact CB-CB 3.81Å; D179-H182 WeakPolarHBondContact CB-ND1 3.29Å; D179-H182 PolarHBondContact O-N 3.21Å; D179-H182 IonicContact OD1-CD2 3.4Å; D179-H182 IonicContact OD1-CG 3.86Å; D179-H182 PolarHBondContact OD1-N 3Å; D179-H182 IonicContact OD1-ND1 3.15Å; D179-H182 IonicContact OD2-CE1 3.37Å; D179-H182 IonicContact OD2-ND1 3.32Å; D179-A183 WeakPolarHBondContact O-CB 3.46Å; D179-A183 PolarHBondContact O-N 3.47Å; D179-H216 WeakPolarHBondContact CA-O 3.43Å; D179-H216 HydrophobicContact CB-CB 3.83Å; D179-H216 VanDerWaalsContact OD2-CB 3.29Å; D179-H216 WeakPolarHBondContact OD2-CB 3.21Å; D179-H216 IonicContact OD2-CG 2.81Å; D179-H216 IonicContact OD2-ND1 3.01Å; D179-N218 PolarHBondContact OD2-ND2 2.95Å; D179-H231 IonicContact OD2-CE1 2.83Å; D179-H231 IonicContact OD2-NE2 3.65Å
180T98.9Very high98.9Very high0 Ų017.9 Ų17.90%010%0.104CC..Hα-helixtrans-69.2-36.9-177.250.80000113.6F184 L190 M215 H216 N218 I239 I247T180-F184 WeakPolarHBondContact O-CB 3.49Å; T180-F184 PolarHBondContact O-N 2.9Å; T180-L190 HydrophobicContact CG2-CD1 4.06Å; T180-M215 HydrophobicContact CG2-CE 3.99Å; T180-H216 PolarHBondContact N-O 3.29Å; T180-H216 VanDerWaalsContact N-O 3.09Å; T180-H216 PolarHBondContact OG1-O 2.88Å; T180-N218 PolarHBondContact OG1-N 3.36Å; T180-N218 PolarHBondContact OG1-O 3.21Å; T180-I239 WeakPolarHBondContact O-CD1 3.44Å; T180-I247 HydrophobicContact CG2-CD1 3.77Å
181C98.9Very high98.9Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-66.3-44.2175.2173.40000110.3D179 F184 A185 N218 A220 H231D179-C181 WeakPolarHBondContact OD1-CA 3.36Å; D179-C181 WeakPolarHBondContact OD1-CB 3.3Å; D179-C181 PolarHBondContact OD1-N 2.89Å; C181-F184 PolarHBondContact O-N 3.36Å; C181-A185 VanDerWaalsContact O-CB 3.28Å; C181-A185 WeakPolarHBondContact O-CB 3.24Å; C181-A185 PolarHBondContact O-N 3.35Å; C181-N218 HydrophobicContact CB-CB 3.59Å; C181-N218 PolarHBondContact N-O 3.36Å; C181-A220 HydrophobicContact CB-CB 4.4Å; C181-H231 PolarHBondContact SG-CD2 2.81Å
182H98.9Very high98.9Very high3 Ų319.7 Ų19.71%0.01411%0.111CC..Hα-helixtrans-61.4-46.5175.9-69.6171.5000112.1H109 E145 N146 D179 F184 A185 A186 D229 H231H109-H182 AromaticContact CE1-CE1 3.66Å; H109-H182 AromaticContact NE2-CE1 3.71Å; E145-H182 IonicContact OE1-CE1 3.5Å; E145-H182 PolarHBondContact OE1-CE1 3.27Å; E145-H182 IonicContact OE1-ND1 3.53Å; E145-H182 PolarHBondContact OE1-ND1 3.15Å; N146-H182 WeakPolarHBondContact ND2-CB 3.29Å; N146-H182 PolarHBondContact O-ND1 3.37Å; D179-H182 HydrophobicContact CB-CB 3.81Å; D179-H182 WeakPolarHBondContact CB-ND1 3.29Å; D179-H182 PolarHBondContact O-N 3.21Å; D179-H182 IonicContact OD1-CD2 3.4Å; D179-H182 IonicContact OD1-CG 3.86Å; D179-H182 PolarHBondContact OD1-N 3Å; D179-H182 IonicContact OD1-ND1 3.15Å; D179-H182 IonicContact OD2-CE1 3.37Å; D179-H182 IonicContact OD2-ND1 3.32Å; H182-F184 VanDerWaalsContact C-N 3.35Å; H182-F184 PolarHBondContact O-N 3.09Å; H182-A185 PolarHBondContact O-N 2.92Å; H182-A186 WeakPolarHBondContact O-CB 3.05Å; H182-A186 PolarHBondContact O-N 2.76Å; H182-D229 IonicContact CD2-OD1 3.22Å; H182-D229 IonicContact NE2-OD1 2.95Å; H182-D229 PolarHBondContact NE2-OD1 3.12Å; H182-D229 IonicContact NE2-OD2 3.66Å; H182-D229 PolarHBondContact NE2-OD2 3.25Å; H182-H231 AromaticContact NE2-NE2 3.66Å
183A98.9Very high98.8Very high1 Ų116.8 Ų16.81%0.0089%0.09CC..Hα-helixtrans-59.7-47.5178.200000110.7N146 I178 D179 A186 G187 Y188 L190N146-A183 PolarHBondContact ND2-N 2.87Å; N146-A183 VanDerWaalsContact ND2-N 3.13Å; I178-A183 HydrophobicContact CG2-CB 4.49Å; D179-A183 WeakPolarHBondContact O-CB 3.46Å; D179-A183 PolarHBondContact O-N 3.47Å; A183-A186 PolarHBondContact O-N 2.81Å; A183-G187 PolarHBondContact O-N 3.49Å; A183-G187 VanDerWaalsContact O-N 3.1Å; A183-Y188 HydrophobicContact CB-CD2 4.42Å; A183-Y188 WeakPolarHBondContact O-CB 3.48Å; A183-Y188 PolarHBondContact O-N 3.5Å; A183-L190 HydrophobicContact CB-CD1 4.46Å
184F98.9Very high98.8Very high1 Ų118.6 Ų18.60%0.00411%0.113CC..Hα-helixtrans-61.7-46.2177.4-178-102.2000113.1T180 C181 H182 A186 G187 Y188 R191 A220 F224 G225 N238 I239T180-F184 WeakPolarHBondContact O-CB 3.49Å; T180-F184 PolarHBondContact O-N 2.9Å; C181-F184 PolarHBondContact O-N 3.36Å; H182-F184 VanDerWaalsContact C-N 3.35Å; H182-F184 PolarHBondContact O-N 3.09Å; F184-A186 VanDerWaalsContact C-N 3.26Å; F184-A186 PolarHBondContact O-N 3.3Å; F184-G187 PolarHBondContact O-N 2.7Å; F184-G187 VanDerWaalsContact O-N 3.15Å; F184-Y188 VanDerWaalsContact CA-O 3.29Å; F184-Y188 WeakPolarHBondContact CA-O 3.28Å; F184-R191 HydrophobicContact CE2-CG 3.87Å; F184-A220 HydrophobicContact CD1-CB 3.59Å; F184-A220 HydrophobicContact CE1-CB 4.07Å; F184-A220 HydrophobicContact CG-CB 4.48Å; F184-F224 AromaticContact CD2-CD2 3.81Å; F184-F224 HydrophobicContact CD2-CD2 3.81Å; F184-F224 HydrophobicContact CE1-CB 4.07Å; F184-F224 HydrophobicContact CE2-CB 3.79Å; F184-F224 AromaticContact CE2-CD2 3.71Å; F184-F224 HydrophobicContact CE2-CD2 3.71Å; F184-F224 HydrophobicContact CE2-CG 4.19Å; F184-F224 HydrophobicContact CG-CD2 4.48Å; F184-F224 HydrophobicContact CZ-CB 3.54Å; F184-F224 HydrophobicContact CZ-CD2 4.31Å; F184-F224 HydrophobicContact CZ-CG 4.42Å; F184-G225 PolarHBondContact O-N 3.13Å; F184-N238 HydrophobicContact CE1-CB 3.68Å; F184-N238 HydrophobicContact CZ-CB 3.79Å; F184-N238 WeakPolarHBondContact CZ-O 3.4Å; F184-I239 HydrophobicContact CB-CD1 3.64Å; F184-I239 HydrophobicContact CB-CG1 3.74Å; F184-I239 HydrophobicContact CD1-CD1 4.4Å; F184-I239 HydrophobicContact CD1-CG1 3.88Å; F184-I239 HydrophobicContact CD2-CG1 3.71Å; F184-I239 HydrophobicContact CE1-CG1 4.38Å; F184-I239 HydrophobicContact CE2-CG1 4.23Å; F184-I239 HydrophobicContact CG-CD1 3.98Å; F184-I239 HydrophobicContact CG-CG1 3.5Å; F184-I239 VanDerWaalsContact CG-CG1 3.5Å
185A98.8Very high98.8Very high0 Ų021.1 Ų21.10%013%0.125CC..Hα-helixtrans-64.7-30.8176.400000112.2A148 C181 H182 G187 G225 S226 R227 V228A148-A185 HydrophobicContact CB-CB 3.73Å; C181-A185 VanDerWaalsContact O-CB 3.28Å; C181-A185 WeakPolarHBondContact O-CB 3.24Å; C181-A185 PolarHBondContact O-N 3.35Å; H182-A185 PolarHBondContact O-N 2.92Å; A185-G187 VanDerWaalsContact C-N 3.32Å; A185-G225 CarbonylContact O-C 3.48Å; A185-G225 WeakPolarHBondContact O-CA 3.46Å; A185-S226 PolarHBondContact O-N 3.47Å; A185-R227 WeakPolarHBondContact O-CA 3.24Å; A185-R227 PolarHBondContact O-N 2.95Å; A185-V228 WeakPolarHBondContact CB-O 3.5Å
186A98.8Very high98.8Very high22 Ų2221.1 Ų21.118%0.18213%0.125CC..Hα-helixtrans-79.1-11.2175.900000114.2F156 H182 A183 F184 Y188F156-A186 HydrophobicContact CB-CB 3.93Å; F156-A186 VanDerWaalsContact O-CB 3.3Å; F156-A186 WeakPolarHBondContact O-CB 3.34Å; H182-A186 WeakPolarHBondContact O-CB 3.05Å; H182-A186 PolarHBondContact O-N 2.76Å; A183-A186 PolarHBondContact O-N 2.81Å; F184-A186 VanDerWaalsContact C-N 3.26Å; F184-A186 PolarHBondContact O-N 3.3Å; A186-Y188 HydrophobicContact CB-CD2 4.33Å
187G98.8Very high98.8Very high32 Ų3225.2 Ų25.233%0.3314%0.144SC..THydrogen-bonded Turntrans105.513.9176.400000115.3A183 F184 A185 F224A183-G187 PolarHBondContact O-N 3.49Å; A183-G187 VanDerWaalsContact O-N 3.1Å; F184-G187 PolarHBondContact O-N 2.7Å; F184-G187 VanDerWaalsContact O-N 3.15Å; A185-G187 VanDerWaalsContact C-N 3.32Å; G187-F224 WeakPolarHBondContact O-CE2 3.44Å; G187-F224 WeakPolarHBondContact O-CZ 3.28Å
188Y98.9Very high98.8Very high33 Ų3331.9 Ų31.913%0.12917%0.173CC..  trans-90.4111.5167.8-63.2-77.9000109.7F156 K157 F158 A183 F184 A186 T199F156-Y188 WeakPolarHBondContact O-CE2 3.24Å; K157-Y188 WeakPolarHBondContact CA-OH 3.33Å; F158-Y188 HydrophobicContact CD1-CE2 4.3Å; F158-Y188 HydrophobicContact CD2-CD1 4.2Å; F158-Y188 AromaticContact CD2-CE1 3.49Å; F158-Y188 HydrophobicContact CD2-CE1 3.49Å; F158-Y188 VanDerWaalsContact CD2-CE1 3.49Å; F158-Y188 HydrophobicContact CD2-CE2 4.37Å; F158-Y188 AromaticContact CD2-CZ 3.59Å; F158-Y188 HydrophobicContact CE1-CD2 4.34Å; F158-Y188 HydrophobicContact CE1-CE2 4.1Å; F158-Y188 AromaticContact CE2-CD1 3.53Å; F158-Y188 HydrophobicContact CE2-CD1 3.53Å; F158-Y188 HydrophobicContact CE2-CD2 4.38Å; F158-Y188 AromaticContact CE2-CE1 3.31Å; F158-Y188 HydrophobicContact CE2-CE1 3.31Å; F158-Y188 HydrophobicContact CE2-CE2 4.19Å; F158-Y188 HydrophobicContact CE2-CG 4.07Å; F158-Y188 AromaticContact CE2-CZ 3.67Å; F158-Y188 HydrophobicContact CG-CE1 4.25Å; F158-Y188 HydrophobicContact CG-CE2 4.42Å; F158-Y188 AromaticContact CG-CZ 3.87Å; F158-Y188 AromaticContact CZ-CD1 3.9Å; F158-Y188 HydrophobicContact CZ-CD1 3.9Å; F158-Y188 HydrophobicContact CZ-CD2 4.03Å; F158-Y188 AromaticContact CZ-CE1 3.94Å; F158-Y188 HydrophobicContact CZ-CE1 3.94Å; F158-Y188 HydrophobicContact CZ-CE2 4.05Å; F158-Y188 AromaticContact CZ-CG 3.94Å; F158-Y188 HydrophobicContact CZ-CG 3.94Å; F158-Y188 PolarHBondContact N-OH 3.44Å; A183-Y188 HydrophobicContact CB-CD2 4.42Å; A183-Y188 WeakPolarHBondContact O-CB 3.48Å; A183-Y188 PolarHBondContact O-N 3.5Å; F184-Y188 VanDerWaalsContact CA-O 3.29Å; F184-Y188 WeakPolarHBondContact CA-O 3.28Å; A186-Y188 HydrophobicContact CB-CD2 4.33Å; Y188-T199 HydrophobicContact CD1-CG2 4.3Å; Y188-T199 HydrophobicContact CG-CG2 4.3Å
189D98.8Very high98.8Very high23 Ų2332.1 Ų32.112%0.12318%0.175CC..  trans-77.9142.8-171.9-152.2-18.6000111.2R191 E195 T199 F224D189-R191 WeakPolarHBondContact OD1-CG 3.26Å; D189-R191 IonicContact OD1-CZ 3.74Å; D189-R191 PolarHBondContact OD1-N 2.76Å; D189-R191 IonicContact OD1-NE 3.77Å; D189-R191 PolarHBondContact OD1-NE 2.9Å; D189-R191 IonicContact OD1-NH2 3.78Å; D189-R191 IonicContact OD2-CZ 2.96Å; D189-R191 IonicContact OD2-NE 3.72Å; D189-R191 PolarHBondContact OD2-NE 3.48Å; D189-R191 IonicContact OD2-NH2 3.68Å; D189-R191 PolarHBondContact OD2-NH2 3.4Å; D189-E195 HydrophobicContact CB-CB 4.01Å; D189-E195 HydrophobicContact CB-CG 4.06Å; D189-E195 CarbonylContact O-C 3.56Å; D189-T199 PolarHBondContact N-OG1 3.41Å; D189-T199 PolarHBondContact O-OG1 3.27Å; D189-F224 HydrophobicContact CB-CD2 4.36Å; D189-F224 HydrophobicContact CB-CE2 3.64Å; D189-F224 HydrophobicContact CB-CZ 4.04Å
190L98.9Very high98.8Very high2 Ų232.2 Ų32.21%0.0118%0.175CC..  trans-136.55.4-175.5-64.9176.4000112T180 A183 T192 C196 T199 F200 I239 A243T180-L190 HydrophobicContact CG2-CD1 4.06Å; A183-L190 HydrophobicContact CB-CD1 4.46Å; L190-T192 PolarHBondContact O-N 3.24Å; L190-C196 HydrophobicContact CD2-CB 4.46Å; L190-C196 PolarHBondContact O-SG 3.11Å; L190-T199 HydrophobicContact CD2-CG2 3.97Å; L190-F200 HydrophobicContact CD2-CE2 4.19Å; L190-I239 HydrophobicContact CB-CG2 3.85Å; L190-A243 HydrophobicContact CB-CB 4.16Å; L190-A243 WeakPolarHBondContact O-CB 3.3Å
191R98.7Very high98.8Very high113 Ų11334.1 Ų34.143%0.42619%0.191SC..SBendtrans-71.6-16.4-170.3-72.1173.4-70.6-179.5-0.4114.1F184 D189 E195 N238F184-R191 HydrophobicContact CE2-CG 3.87Å; D189-R191 WeakPolarHBondContact OD1-CG 3.26Å; D189-R191 IonicContact OD1-CZ 3.74Å; D189-R191 PolarHBondContact OD1-N 2.76Å; D189-R191 IonicContact OD1-NE 3.77Å; D189-R191 PolarHBondContact OD1-NE 2.9Å; D189-R191 IonicContact OD1-NH2 3.78Å; D189-R191 IonicContact OD2-CZ 2.96Å; D189-R191 IonicContact OD2-NE 3.72Å; D189-R191 PolarHBondContact OD2-NE 3.48Å; D189-R191 IonicContact OD2-NH2 3.68Å; D189-R191 PolarHBondContact OD2-NH2 3.4Å; R191-E195 WeakPolarHBondContact CB-OE2 3.45Å; R191-E195 PolarHBondContact N-OE2 2.91Å; R191-N238 WeakPolarHBondContact CD-O 3.46Å; R191-N238 WeakPolarHBondContact CG-O 3.18Å
192T98.6Very high98.8Very high55 Ų5536 Ų3634%0.33720%0.201SC..SBendtrans-136158.8176.363.90000111.3L190 A194 E195 C196L190-T192 PolarHBondContact O-N 3.24Å; T192-A194 VanDerWaalsContact C-N 3.25Å; T192-A194 PolarHBondContact O-N 3.21Å; T192-E195 WeakPolarHBondContact CB-OE2 3.41Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.38Å; T192-E195 PolarHBondContact N-OE2 3.46Å; T192-E195 PolarHBondContact O-N 2.69Å; T192-E195 VanDerWaalsContact O-N 3.12Å; T192-E195 WeakPolarHBondContact OG1-CB 3.31Å; T192-E195 VanDerWaalsContact OG1-CG 3.29Å; T192-E195 WeakPolarHBondContact OG1-CG 3.31Å; T192-E195 PolarHBondContact OG1-N 3.26Å; T192-E195 PolarHBondContact OG1-OE2 3.01Å; T192-C196 PolarHBondContact O-N 2.91Å; T192-C196 PolarHBondContact O-SG 3.38Å
193P98.4Very high98.8Very high24 Ų2435.8 Ų35.816%0.15620%0.2CC..Hα-helixtrans-55.1-37.6173.5-29.537000114.1C196 E197 V284 A285P193-C196 WeakPolarHBondContact O-CB 3.39Å; P193-C196 PolarHBondContact O-N 3.2Å; P193-E197 PolarHBondContact O-N 3.39Å; P193-V284 HydrophobicContact CG-CB 4.18Å; P193-A285 WeakPolarHBondContact CB-O 3.46Å
194A98.6Very high98.8Very high77 Ų7737.7 Ų37.764%0.63622%0.216SC*.Hα-helixtrans-67.6-36.7177.800000112.5T192 K198T192-A194 VanDerWaalsContact C-N 3.25Å; T192-A194 PolarHBondContact O-N 3.21Å; A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3Å
195E98.8Very high98.8Very high56 Ų5645.9 Ų45.926%0.26225%0.247SC..Hα-helixtrans-71.2-39.1173.9-73.8157.4167.400111.4D189 R191 T192 K198 T199D189-E195 HydrophobicContact CB-CB 4.01Å; D189-E195 HydrophobicContact CB-CG 4.06Å; D189-E195 CarbonylContact O-C 3.56Å; R191-E195 WeakPolarHBondContact CB-OE2 3.45Å; R191-E195 PolarHBondContact N-OE2 2.91Å; T192-E195 WeakPolarHBondContact CB-OE2 3.41Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.38Å; T192-E195 PolarHBondContact N-OE2 3.46Å; T192-E195 PolarHBondContact O-N 2.69Å; T192-E195 VanDerWaalsContact O-N 3.12Å; T192-E195 WeakPolarHBondContact OG1-CB 3.31Å; T192-E195 VanDerWaalsContact OG1-CG 3.29Å; T192-E195 WeakPolarHBondContact OG1-CG 3.31Å; T192-E195 PolarHBondContact OG1-N 3.26Å; T192-E195 PolarHBondContact OG1-OE2 3.01Å; E195-K198 PolarHBondContact O-N 3.41Å; E195-T199 WeakPolarHBondContact O-CB 3.24Å; E195-T199 PolarHBondContact O-N 3.3Å; E195-T199 PolarHBondContact O-OG1 3.43Å
196C98.8Very high98.7Very high0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-57.7-53.1171.9-66.30000111.2L190 T192 P193 K198 T199 F200 W246L190-C196 HydrophobicContact CD2-CB 4.46Å; L190-C196 PolarHBondContact O-SG 3.11Å; T192-C196 PolarHBondContact O-N 2.91Å; T192-C196 PolarHBondContact O-SG 3.38Å; P193-C196 WeakPolarHBondContact O-CB 3.39Å; P193-C196 PolarHBondContact O-N 3.2Å; C196-K198 VanDerWaalsContact C-N 3.29Å; C196-K198 PolarHBondContact O-N 2.89Å; C196-T199 PolarHBondContact O-N 2.84Å; C196-F200 VanDerWaalsContact O-CD2 3.31Å; C196-F200 WeakPolarHBondContact O-CD2 3.48Å; C196-F200 PolarHBondContact O-N 3.17Å; C196-W246 HydrophobicContact CB-CD2 3.58Å; C196-W246 HydrophobicContact CB-CE3 3.71Å; C196-W246 HydrophobicContact CB-CG 4.02Å; C196-W246 HydrophobicContact CB-CH2 4.41Å; C196-W246 HydrophobicContact CB-CZ2 4.28Å; C196-W246 HydrophobicContact CB-CZ3 4.13Å
197E98.7Very high98.7Very high85 Ų8547.2 Ų47.240%0.39725%0.251SS..Hα-helixtrans-60.5-40.1178.9178.355.7-15700111.5P193 F200 A201 W246 R252P193-E197 PolarHBondContact O-N 3.39Å; E197-F200 PolarHBondContact O-N 3.07Å; E197-A201 WeakPolarHBondContact O-CB 3.31Å; E197-A201 PolarHBondContact O-N 3.22Å; E197-W246 HydrophobicContact CB-CZ2 4.17Å; E197-W246 WeakPolarHBondContact OE2-CZ2 3.42Å; E197-R252 IonicContact OE2-CZ 3.36Å; E197-R252 IonicContact OE2-NH1 3.19Å; E197-R252 IonicContact OE2-NH2 3.64Å; E197-R252 PolarHBondContact OE2-NH2 3.45Å
198K98.8Very high98.7Very high141 Ų14146.3 Ų46.361%0.61324%0.241SC*.Hα-helixtrans-60.2-49.7174.5-178.8-177.5175-172.40111.8A194 E195 C196 F200 A201 D202A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3Å; E195-K198 PolarHBondContact O-N 3.41Å; C196-K198 VanDerWaalsContact C-N 3.29Å; C196-K198 PolarHBondContact O-N 2.89Å; K198-F200 PolarHBondContact O-N 3.3Å; K198-A201 PolarHBondContact O-N 2.78Å; K198-D202 PolarHBondContact O-N 2.74Å
199T98.8Very high98.7Very high7 Ų746.8 Ų46.84%0.04324%0.244CC..Hα-helixtrans-59.1-46.9178.8-74.40000111.1F158 Y188 D189 L190 E195 C196 D202 F203F158-T199 HydrophobicContact CE2-CG2 4.28Å; F158-T199 HydrophobicContact CZ-CG2 4.1Å; Y188-T199 HydrophobicContact CD1-CG2 4.3Å; Y188-T199 HydrophobicContact CG-CG2 4.3Å; D189-T199 PolarHBondContact N-OG1 3.41Å; D189-T199 PolarHBondContact O-OG1 3.27Å; L190-T199 HydrophobicContact CD2-CG2 3.97Å; E195-T199 WeakPolarHBondContact O-CB 3.24Å; E195-T199 PolarHBondContact O-N 3.3Å; E195-T199 PolarHBondContact O-OG1 3.43Å; C196-T199 PolarHBondContact O-N 2.84Å; T199-D202 PolarHBondContact O-N 3.26Å; T199-F203 PolarHBondContact O-N 3.34Å
200F98.8Very high98.7Very high2 Ų253.8 Ų53.81%0.00927%0.273CS..Hα-helixtrans-76.8-23.2-178.9-77.6-72.5000113.7L190 C196 E197 K198 F203 A204 F209 M215 W246 F253L190-F200 HydrophobicContact CD2-CE2 4.19Å; C196-F200 VanDerWaalsContact O-CD2 3.31Å; C196-F200 WeakPolarHBondContact O-CD2 3.48Å; C196-F200 PolarHBondContact O-N 3.17Å; E197-F200 PolarHBondContact O-N 3.07Å; K198-F200 PolarHBondContact O-N 3.3Å; F200-F203 HydrophobicContact CD1-CB 4.47Å; F200-F203 HydrophobicContact CD1-CD1 4.32Å; F200-A204 VanDerWaalsContact O-CB 3.27Å; F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 3.14Å; F200-F209 HydrophobicContact CB-CE2 4.44Å; F200-F209 HydrophobicContact CB-CZ 4.03Å; F200-F209 HydrophobicContact CD1-CE1 4.32Å; F200-F209 AromaticContact CD1-CZ 3.79Å; F200-F209 HydrophobicContact CD1-CZ 3.79Å; F200-F209 HydrophobicContact CG-CZ 4.24Å; F200-M215 HydrophobicContact CE1-CE 4.4Å; F200-M215 HydrophobicContact CZ-CE 3.94Å; F200-W246 HydrophobicContact CB-CH2 3.97Å; F200-W246 HydrophobicContact CD2-CE3 4.31Å; F200-W246 AromaticContact CD2-CH2 3.54Å; F200-W246 HydrophobicContact CD2-CH2 3.54Å; F200-W246 AromaticContact CD2-CZ3 3.28Å; F200-W246 HydrophobicContact CD2-CZ3 3.28Å; F200-W246 HydrophobicContact CE2-CE3 4.39Å; F200-W246 HydrophobicContact CE2-CH2 4.34Å; F200-W246 AromaticContact CE2-CZ3 3.62Å; F200-W246 HydrophobicContact CE2-CZ3 3.62Å; F200-W246 AromaticContact CG-CH2 3.98Å; F200-W246 HydrophobicContact CG-CH2 3.98Å; F200-W246 HydrophobicContact CG-CZ3 4.06Å; F200-F253 HydrophobicContact CD1-CE1 4.09Å; F200-F253 AromaticContact CD1-CZ 3.8Å; F200-F253 HydrophobicContact CD1-CZ 3.8Å; F200-F253 HydrophobicContact CD2-CZ 4.13Å; F200-F253 AromaticContact CE1-CE1 3.53Å; F200-F253 HydrophobicContact CE1-CE1 3.53Å; F200-F253 AromaticContact CE1-CZ 3.59Å; F200-F253 HydrophobicContact CE1-CZ 3.59Å; F200-F253 HydrophobicContact CE2-CE1 4.47Å; F200-F253 AromaticContact CE2-CZ 3.93Å; F200-F253 HydrophobicContact CE2-CZ 3.93Å; F200-F253 HydrophobicContact CG-CZ 4.07Å; F200-F253 AromaticContact CZ-CE1 3.75Å; F200-F253 HydrophobicContact CZ-CE1 3.75Å; F200-F253 AromaticContact CZ-CZ 3.66Å; F200-F253 HydrophobicContact CZ-CZ 3.66Å
201A98.7Very high98.7Very high39 Ų3955.3 Ų55.332%0.32228%0.279SS..Hα-helixtrans-69.2-39.1167.400000111.7E197 K198 A204 R205E197-A201 WeakPolarHBondContact O-CB 3.31Å; E197-A201 PolarHBondContact O-N 3.22Å; K198-A201 PolarHBondContact O-N 2.78Å; A201-A204 PolarHBondContact O-N 3.1Å; A201-R205 WeakPolarHBondContact O-CB 3.33Å; A201-R205 PolarHBondContact O-N 2.99Å
202D98.7Very high98.7Very high39 Ų3950.5 Ų50.521%0.20926%0.261CS..Hα-helixtrans-63.9-46.2171.9-74.2-22.3000110.8K198 T199 A204 R205 I206K198-D202 PolarHBondContact O-N 2.74Å; T199-D202 PolarHBondContact O-N 3.26Å; D202-A204 PolarHBondContact O-N 3.29Å; D202-R205 PolarHBondContact O-N 2.99Å; D202-R205 IonicContact OD1-CZ 3Å; D202-R205 IonicContact OD1-NH1 2.82Å; D202-R205 PolarHBondContact OD1-NH1 3.5Å; D202-R205 IonicContact OD1-NH2 2.99Å; D202-R205 PolarHBondContact OD1-NH2 3.22Å; D202-I206 HydrophobicContact CB-CD1 4.42Å; D202-I206 WeakPolarHBondContact O-CB 3.49Å; D202-I206 WeakPolarHBondContact O-CD1 3.24Å; D202-I206 VanDerWaalsContact O-CG1 3.29Å; D202-I206 WeakPolarHBondContact O-CG1 3.32Å; D202-I206 PolarHBondContact O-N 2.81Å
203F98.9Very high98.7Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-56.4-46.3172.7173.9-103.7000112.3F158 V176 I178 T199 F200 R205 I206 V207 G208 F209 L212F158-F203 HydrophobicContact CD1-CD2 4.05Å; F158-F203 HydrophobicContact CD2-CB 3.96Å; F158-F203 HydrophobicContact CE1-CD2 4.17Å; F158-F203 HydrophobicContact CE2-CB 3.72Å; F158-F203 HydrophobicContact CG-CD2 4.26Å; F158-F203 HydrophobicContact CZ-CB 4.07Å; F158-F203 HydrophobicContact CZ-CD2 4.46Å; V176-F203 HydrophobicContact CG2-CE2 3.78Å; V176-F203 HydrophobicContact CG2-CZ 3.61Å; I178-F203 HydrophobicContact CD1-CD2 4Å; I178-F203 HydrophobicContact CD1-CE2 3.74Å; I178-F203 HydrophobicContact CG1-CD2 4.17Å; I178-F203 HydrophobicContact CG1-CE2 3.84Å; I178-F203 HydrophobicContact CG1-CZ 4.24Å; T199-F203 PolarHBondContact O-N 3.34Å; F200-F203 HydrophobicContact CD1-CB 4.47Å; F200-F203 HydrophobicContact CD1-CD1 4.32Å; F203-R205 VanDerWaalsContact C-N 3.3Å; F203-R205 PolarHBondContact O-N 3.43Å; F203-I206 PolarHBondContact O-N 3.44Å; F203-V207 HydrophobicContact CD2-CB 4.01Å; F203-V207 HydrophobicContact CD2-CG2 4.18Å; F203-V207 HydrophobicContact CE2-CB 3.69Å; F203-V207 HydrophobicContact CE2-CG1 3.82Å; F203-V207 HydrophobicContact CE2-CG2 4.08Å; F203-V207 HydrophobicContact CZ-CB 4.25Å; F203-V207 HydrophobicContact CZ-CG1 4.11Å; F203-V207 PolarHBondContact O-N 3.01Å; F203-G208 PolarHBondContact O-N 2.87Å; F203-F209 HydrophobicContact CD1-CD2 4.2Å; F203-F209 HydrophobicContact CD1-CE1 4.38Å; F203-F209 HydrophobicContact CD1-CE2 4.04Å; F203-F209 HydrophobicContact CD1-CG 4.45Å; F203-F209 HydrophobicContact CD1-CZ 4.14Å; F203-F209 HydrophobicContact CE1-CD1 4.13Å; F203-F209 HydrophobicContact CE1-CD2 4.35Å; F203-F209 HydrophobicContact CE1-CE1 4.31Å; F203-F209 HydrophobicContact CE1-CG 4.16Å; F203-L212 HydrophobicContact CE1-CB 4.35Å; F203-L212 HydrophobicContact CE1-CD1 4.43Å; F203-L212 HydrophobicContact CZ-CB 4.31Å; F203-L212 HydrophobicContact CZ-CD1 4.11Å
204A98.7Very high98.8Very high41 Ų4149.9 Ų49.934%0.33925%0.25SS..Hα-helixtrans-61.4-38.1178.900000112.5F200 A201 D202 G208 F209F200-A204 VanDerWaalsContact O-CB 3.27Å; F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 3.14Å; A201-A204 PolarHBondContact O-N 3.1Å; D202-A204 PolarHBondContact O-N 3.29Å; A204-G208 VanDerWaalsContact O-CA 3.3Å; A204-G208 WeakPolarHBondContact O-CA 3.47Å; A204-G208 PolarHBondContact O-N 3.39Å; A204-F209 HydrophobicContact CB-CD2 3.82Å; A204-F209 HydrophobicContact CB-CE2 3.9Å
205R98.8Very high98.8Very high173 Ų17346.2 Ų46.265%0.65322%0.22SC*.Hα-helixtrans-71.9-39.9178.9-176.2178.466.4-117.8-2.6112.4A201 D202 F203A201-R205 WeakPolarHBondContact O-CB 3.33Å; A201-R205 PolarHBondContact O-N 2.99Å; D202-R205 PolarHBondContact O-N 2.99Å; D202-R205 IonicContact OD1-CZ 3Å; D202-R205 IonicContact OD1-NH1 2.82Å; D202-R205 PolarHBondContact OD1-NH1 3.5Å; D202-R205 IonicContact OD1-NH2 2.99Å; D202-R205 PolarHBondContact OD1-NH2 3.22Å; F203-R205 VanDerWaalsContact C-N 3.3Å; F203-R205 PolarHBondContact O-N 3.43Å
206I98.8Very high98.8Very high37 Ų3743.6 Ų43.619%0.1921%0.207CC..Hα-helixtrans-89.1-47.1-170.3-63.6160.3000111.7F158 E159 A162 D202 F203F158-I206 VanDerWaalsContact C-CG2 3.48Å; F158-I206 HydrophobicContact CB-CB 4.08Å; F158-I206 HydrophobicContact CB-CD1 4.07Å; F158-I206 HydrophobicContact CB-CG2 3.82Å; F158-I206 HydrophobicContact CD2-CD1 4.38Å; E159-I206 HydrophobicContact CB-CG2 4.41Å; E159-I206 HydrophobicContact CG-CG2 3.93Å; E159-I206 VanDerWaalsContact OE1-CD1 3.24Å; E159-I206 WeakPolarHBondContact OE1-CD1 3.16Å; A162-I206 HydrophobicContact CB-CG2 3.99Å; A162-I206 WeakPolarHBondContact CB-O 3.46Å; D202-I206 HydrophobicContact CB-CD1 4.42Å; D202-I206 WeakPolarHBondContact O-CB 3.49Å; D202-I206 WeakPolarHBondContact O-CD1 3.24Å; D202-I206 VanDerWaalsContact O-CG1 3.29Å; D202-I206 WeakPolarHBondContact O-CG1 3.32Å; D202-I206 PolarHBondContact O-N 2.81Å; F203-I206 PolarHBondContact O-N 3.44Å
207V98.8Very high98.8Very high13 Ų1343.7 Ų43.78%0.07921%0.208CC..THydrogen-bonded Turntrans-107.1-51.3-177.4179.50000110.4F158 L161 A162 I165 V176 F203 Y211F158-V207 HydrophobicContact CB-CG2 4.06Å; F158-V207 WeakPolarHBondContact O-CG2 3.39Å; L161-V207 HydrophobicContact CB-CG2 4.06Å; A162-V207 HydrophobicContact CB-CG2 4.33Å; I165-V207 HydrophobicContact CD1-CG1 3.89Å; V176-V207 HydrophobicContact CG1-CG1 4.13Å; V176-V207 HydrophobicContact CG2-CG1 4.14Å; F203-V207 HydrophobicContact CD2-CB 4.01Å; F203-V207 HydrophobicContact CD2-CG2 4.18Å; F203-V207 HydrophobicContact CE2-CB 3.69Å; F203-V207 HydrophobicContact CE2-CG1 3.82Å; F203-V207 HydrophobicContact CE2-CG2 4.08Å; F203-V207 HydrophobicContact CZ-CB 4.25Å; F203-V207 HydrophobicContact CZ-CG1 4.11Å; F203-V207 PolarHBondContact O-N 3.01Å; V207-Y211 HydrophobicContact CG1-CD2 4.25Å; V207-Y211 WeakPolarHBondContact O-CD2 3.18Å
208G98.6Very high98.8Very high12 Ų1239.6 Ų39.612%0.12419%0.189CC..  trans91.3134.1-176.500000113.6F203 A204 K210 Y211F203-G208 PolarHBondContact O-N 2.87Å; A204-G208 VanDerWaalsContact O-CA 3.3Å; A204-G208 WeakPolarHBondContact O-CA 3.47Å; A204-G208 PolarHBondContact O-N 3.39Å; G208-K210 PolarHBondContact O-N 3.16Å; G208-Y211 PolarHBondContact O-N 2.91Å; G208-Y211 VanDerWaalsContact O-N 3.08Å
209F98.7Very high98.8Very high44 Ų4432.9 Ų32.919%0.19316%0.16CC..G310 helixtrans-57.9-20-178.7-85-85.7000114.9F200 F203 A204 Y211 L212 R252 F253F200-F209 HydrophobicContact CB-CE2 4.44Å; F200-F209 HydrophobicContact CB-CZ 4.03Å; F200-F209 HydrophobicContact CD1-CE1 4.32Å; F200-F209 AromaticContact CD1-CZ 3.79Å; F200-F209 HydrophobicContact CD1-CZ 3.79Å; F200-F209 HydrophobicContact CG-CZ 4.24Å; F203-F209 HydrophobicContact CD1-CD2 4.2Å; F203-F209 HydrophobicContact CD1-CE1 4.38Å; F203-F209 HydrophobicContact CD1-CE2 4.04Å; F203-F209 HydrophobicContact CD1-CG 4.45Å; F203-F209 HydrophobicContact CD1-CZ 4.14Å; F203-F209 HydrophobicContact CE1-CD1 4.13Å; F203-F209 HydrophobicContact CE1-CD2 4.35Å; F203-F209 HydrophobicContact CE1-CE1 4.31Å; F203-F209 HydrophobicContact CE1-CG 4.16Å; A204-F209 HydrophobicContact CB-CD2 3.82Å; A204-F209 HydrophobicContact CB-CE2 3.9Å; F209-Y211 PolarHBondContact O-N 3.41Å; F209-Y211 VanDerWaalsContact O-N 3.12Å; F209-L212 HydrophobicContact CD1-CB 4.42Å; F209-L212 HydrophobicContact CD1-CD2 3.75Å; F209-L212 HydrophobicContact CE1-CD2 3.85Å; F209-L212 WeakPolarHBondContact O-CB 3.48Å; F209-L212 PolarHBondContact O-N 2.98Å; F209-R252 HydrophobicContact CD1-CB 3.76Å; F209-R252 HydrophobicContact CE1-CB 3.59Å; F209-R252 HydrophobicContact CE1-CG 4.41Å; F209-R252 HydrophobicContact CG-CB 4.43Å; F209-R252 HydrophobicContact CZ-CB 4.13Å; F209-F253 HydrophobicContact CE1-CE1 4.1Å; F209-F253 HydrophobicContact CE1-CZ 4.14Å; F209-F253 HydrophobicContact CZ-CZ 4.37Å
210K98.6Very high98.8Very high169 Ų16932.6 Ų32.674%0.73516%0.158SC*.G310 helixtrans-58.8-22.5174.269.6-175.8-179.3-172.30113.8G208G208-K210 PolarHBondContact O-N 3.16Å
211Y98.9Very high98.8Very high35 Ų3536.1 Ų36.114%0.13717%0.173CC..G310 helixtrans-97.1-6.6176.5-67.2-65.3000113.2I165 K171 V174 G175 V176 V207 G208 F209 R213I165-Y211 HydrophobicContact CD1-CD2 4.11Å; I165-Y211 HydrophobicContact CD1-CG 4.12Å; I165-Y211 HydrophobicContact CG2-CD1 4.47Å; I165-Y211 HydrophobicContact CG2-CD2 4.43Å; I165-Y211 HydrophobicContact CG2-CE1 3.92Å; I165-Y211 HydrophobicContact CG2-CE2 3.82Å; K171-Y211 HydrophobicContact CB-CE1 4.47Å; V174-Y211 HydrophobicContact CG1-CD1 4.47Å; V174-Y211 HydrophobicContact CG1-CE1 4.26Å; G175-Y211 CarbonylContact C-O 3.6Å; G175-Y211 WeakPolarHBondContact CA-O 3.4Å; V176-Y211 PolarHBondContact N-O 3.45Å; V207-Y211 HydrophobicContact CG1-CD2 4.25Å; V207-Y211 WeakPolarHBondContact O-CD2 3.18Å; G208-Y211 PolarHBondContact O-N 2.91Å; G208-Y211 VanDerWaalsContact O-N 3.08Å; F209-Y211 PolarHBondContact O-N 3.41Å; F209-Y211 VanDerWaalsContact O-N 3.12Å; Y211-R213 WeakPolarHBondContact O-CG 3.45Å; Y211-R213 PolarHBondContact O-N 3.03Å
212L98.9Very high98.8Very high11 Ų1134.7 Ų34.76%0.05816%0.161CC..EExtended strand (participates in β ladder)trans-69.5119.5179.6-170.766.5000109.5V176 I178 F203 F209 G214 M215 F253 I256V176-L212 HydrophobicContact CG2-CD1 4.24Å; I178-L212 HydrophobicContact CG1-CD1 4.01Å; F203-L212 HydrophobicContact CE1-CB 4.35Å; F203-L212 HydrophobicContact CE1-CD1 4.43Å; F203-L212 HydrophobicContact CZ-CB 4.31Å; F203-L212 HydrophobicContact CZ-CD1 4.11Å; F209-L212 HydrophobicContact CD1-CB 4.42Å; F209-L212 HydrophobicContact CD1-CD2 3.75Å; F209-L212 HydrophobicContact CE1-CD2 3.85Å; F209-L212 WeakPolarHBondContact O-CB 3.48Å; F209-L212 PolarHBondContact O-N 2.98Å; L212-G214 WeakPolarHBondContact CD1-O 3.17Å; L212-M215 HydrophobicContact CD1-SD 4.02Å; L212-M215 HydrophobicContact CD2-SD 4.32Å; L212-F253 HydrophobicContact CD2-CD1 3.87Å; L212-F253 HydrophobicContact CD2-CE1 4.05Å; L212-I256 HydrophobicContact CD2-CD1 3.81Å; L212-I256 HydrophobicContact CG-CD1 3.8Å
213R98.9Very high98.8Very high67 Ų6737 Ų3725%0.25318%0.176SC..EExtended strand (participates in β ladder)trans-122.5-7.4-176.9-61.5-62.7-76.4-83.9-7.3113.6L105 T141 V143 V176 Y211 P257L105-R213 HydrophobicContact CD2-CB 4.32Å; L105-R213 VanDerWaalsContact CD2-NH2 3.33Å; T141-R213 PolarHBondContact OG1-NH1 3.2Å; T141-R213 PolarHBondContact OG1-NH2 2.63Å; V143-R213 HydrophobicContact CG1-CB 4.16Å; V143-R213 HydrophobicContact CG2-CB 3.98Å; V176-R213 PolarHBondContact O-N 2.95Å; Y211-R213 WeakPolarHBondContact O-CG 3.45Å; Y211-R213 PolarHBondContact O-N 3.03Å; R213-P257 VanDerWaalsContact O-CD 3.31Å; R213-P257 WeakPolarHBondContact O-CD 3.26Å
214G98.9Very high98.8Very high0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-170.5168177.200000111.3C177 I178 L212 P257C177-G214 WeakPolarHBondContact CA-O 3.3Å; I178-G214 PolarHBondContact N-O 3.24Å; L212-G214 WeakPolarHBondContact CD1-O 3.17Å; G214-P257 VanDerWaalsContact CA-O 3.31Å; G214-P257 WeakPolarHBondContact CA-O 3.43Å
215M98.9Very high98.8Very high0 Ų040.8 Ų40.80%020%0.196CC..EExtended strand (participates in β ladder)trans-137.4143.4170-68.2-74.1-57.600109I178 T180 F200 L212 L217 I247 F253 I256 P257 L258 I259I178-M215 HydrophobicContact CB-CE 4.05Å; I178-M215 HydrophobicContact CB-SD 3.64Å; I178-M215 HydrophobicContact CG2-CE 4.15Å; I178-M215 HydrophobicContact CG2-SD 4.37Å; I178-M215 WeakPolarHBondContact O-CA 3.16Å; I178-M215 VanDerWaalsContact O-CE 3.25Å; I178-M215 WeakPolarHBondContact O-CE 3.39Å; I178-M215 VanDerWaalsContact O-SD 3.42Å; T180-M215 HydrophobicContact CG2-CE 3.99Å; F200-M215 HydrophobicContact CE1-CE 4.4Å; F200-M215 HydrophobicContact CZ-CE 3.94Å; L212-M215 HydrophobicContact CD1-SD 4.02Å; L212-M215 HydrophobicContact CD2-SD 4.32Å; M215-L217 HydrophobicContact CB-CD2 4.06Å; M215-L217 HydrophobicContact CE-CD2 4.36Å; M215-I247 HydrophobicContact CE-CD1 4.23Å; M215-F253 HydrophobicContact CE-CE1 4.21Å; M215-F253 HydrophobicContact CG-CD1 3.9Å; M215-F253 HydrophobicContact CG-CE1 4.41Å; M215-F253 HydrophobicContact SD-CD1 3.94Å; M215-F253 HydrophobicContact SD-CE1 3.85Å; M215-I256 HydrophobicContact CG-CD1 4.16Å; M215-P257 PolarHBondContact N-O 3.19Å; M215-L258 HydrophobicContact CB-CD2 3.63Å; M215-L258 HydrophobicContact CG-CD2 3.68Å; M215-I259 PolarHBondContact O-N 3.43Å
216H99Very high98.8Very high1 Ų134.4 Ų34.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-103.2124.2161.1-59.5168.8000109.3H69 N107 E145 C177 I178 D179 T180 I259 E261H69-H216 AromaticContact CD2-CE1 3.93Å; N107-H216 PolarHBondContact ND2-CE1 3.22Å; E145-H216 IonicContact OE1-ND1 3.16Å; E145-H216 IonicContact OE2-CE1 3.56Å; E145-H216 PolarHBondContact OE2-CE1 3.37Å; E145-H216 IonicContact OE2-ND1 4Å; E145-H216 PolarHBondContact OE2-ND1 3.47Å; C177-H216 VanDerWaalsContact SG-CD2 3.52Å; I178-H216 PolarHBondContact O-N 2.84Å; D179-H216 WeakPolarHBondContact CA-O 3.43Å; D179-H216 HydrophobicContact CB-CB 3.83Å; D179-H216 VanDerWaalsContact OD2-CB 3.29Å; D179-H216 WeakPolarHBondContact OD2-CB 3.21Å; D179-H216 IonicContact OD2-CG 2.81Å; D179-H216 IonicContact OD2-ND1 3.01Å; T180-H216 PolarHBondContact N-O 3.29Å; T180-H216 VanDerWaalsContact N-O 3.09Å; T180-H216 PolarHBondContact OG1-O 2.88Å; H216-I259 CarbonylContact C-O 3.54Å; H216-I259 VanDerWaalsContact CA-O 3.23Å; H216-I259 WeakPolarHBondContact CA-O 3.26Å; H216-E261 IonicContact CE1-OE1 2.62Å; H216-E261 IonicContact CE1-OE2 2.91Å; H216-E261 IonicContact CG-OE2 2.65Å; H216-E261 IonicContact ND1-OE1 2.7Å; H216-E261 IonicContact ND1-OE2 2.83Å; H216-E261 PolarHBondContact ND1-OE2 3.37Å
217L98.9Very high98.8Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..  trans-101.488-174.7-58.2-173.2000108.9M215 L234 F244 I247 L258 I259 L260 L275M215-L217 HydrophobicContact CB-CD2 4.06Å; M215-L217 HydrophobicContact CE-CD2 4.36Å; L217-L234 WeakPolarHBondContact O-CD2 3.33Å; L217-F244 HydrophobicContact CB-CD1 4.4Å; L217-I247 HydrophobicContact CD2-CD1 4.02Å; L217-I247 HydrophobicContact CD2-CG2 4.26Å; L217-L258 HydrophobicContact CD1-CB 3.91Å; L217-L258 HydrophobicContact CG-CB 4.34Å; L217-I259 PolarHBondContact N-O 2.9Å; L217-L260 HydrophobicContact CB-CD2 4.12Å; L217-L260 WeakPolarHBondContact O-CD2 3.29Å; L217-L275 HydrophobicContact CD1-CD1 3.69Å; L217-L275 HydrophobicContact CD1-CD2 4.14Å
218N98.9Very high98.8Very high0 Ų039 Ų390%020%0.197CC..  trans-124.8129.3-175.5-65.1-45.7000110D179 T180 C181 H231 I239 E261 T262D179-N218 PolarHBondContact OD2-ND2 2.95Å; T180-N218 PolarHBondContact OG1-N 3.36Å; T180-N218 PolarHBondContact OG1-O 3.21Å; C181-N218 HydrophobicContact CB-CB 3.59Å; C181-N218 PolarHBondContact N-O 3.36Å; N218-H231 HydrophobicContact CB-CB 4.38Å; N218-H231 PolarHBondContact ND2-CE1 2.87Å; N218-H231 PolarHBondContact ND2-ND1 3.02Å; N218-I239 WeakPolarHBondContact O-CD1 3.17Å; N218-E261 PolarHBondContact ND2-OE2 3.06Å; N218-E261 VanDerWaalsContact OD1-CA 3.24Å; N218-E261 WeakPolarHBondContact OD1-CA 3.44Å; N218-E261 WeakPolarHBondContact OD1-CB 3.33Å; N218-E261 PolarHBondContact OD1-N 2.94Å; N218-E261 PolarHBondContact OD1-O 3.11Å; N218-T262 PolarHBondContact OD1-N 3.01Å
219D98.9Very high98.7Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-77.4167.6163.2-156.2-25.7000109.1H231 H232 S233 G235 E236 G237 N238 I239 G240 F244D219-H231 CarbonylContact O-C 3.57Å; D219-H231 VanDerWaalsContact O-CA 3.32Å; D219-H231 WeakPolarHBondContact O-CA 3.35Å; D219-H232 HydrophobicContact CB-CB 4.13Å; D219-H232 PolarHBondContact N-O 3.19Å; D219-H232 PolarHBondContact O-N 3.1Å; D219-S233 VanDerWaalsContact CB-O 3.28Å; D219-S233 WeakPolarHBondContact CB-O 3.28Å; D219-G235 VanDerWaalsContact OD2-CA 3.28Å; D219-G235 WeakPolarHBondContact OD2-CA 3.35Å; D219-G235 PolarHBondContact OD2-N 3.32Å; D219-E236 PolarHBondContact OD2-N 3.3Å; D219-G237 VanDerWaalsContact CG-N 3.31Å; D219-G237 WeakPolarHBondContact OD1-CA 3.37Å; D219-G237 PolarHBondContact OD2-N 3.42Å; D219-N238 PolarHBondContact OD1-N 2.65Å; D219-I239 VanDerWaalsContact OD1-CB 3.3Å; D219-I239 WeakPolarHBondContact OD1-CB 3.31Å; D219-I239 PolarHBondContact OD1-N 3.1Å; D219-G240 PolarHBondContact OD1-N 3.02Å; D219-G240 PolarHBondContact OD2-N 2.9Å; D219-F244 HydrophobicContact CB-CE2 4.09Å; D219-F244 HydrophobicContact CB-CZ 3.9Å
220A98.8Very high98.7Very high0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-117.5118.6-172.500000112.4C181 F184 S222 G237 N238 I239C181-A220 HydrophobicContact CB-CB 4.4Å; F184-A220 HydrophobicContact CD1-CB 3.59Å; F184-A220 HydrophobicContact CE1-CB 4.07Å; F184-A220 HydrophobicContact CG-CB 4.48Å; A220-S222 VanDerWaalsContact C-N 3.27Å; A220-G237 CarbonylContact O-C 3.38Å; A220-G237 WeakPolarHBondContact O-CA 3.21Å; A220-N238 PolarHBondContact O-N 3.32Å; A220-N238 PolarHBondContact O-ND2 3.18Å; A220-N238 VanDerWaalsContact O-ND2 3.08Å; A220-I239 HydrophobicContact CB-CD1 3.99Å; A220-I239 HydrophobicContact CB-CG1 4.14Å
221K98.7Very high98.7Very high77 Ų7739 Ų3934%0.33519%0.192SC..SBendtrans-66.2-33.6162.6-84.2177.5-179.1170.70111.5R230 H231 H232 N238 I263K221-R230 HydrophobicContact CB-CB 3.87Å; K221-R230 WeakPolarHBondContact CB-O 3.15Å; K221-R230 PolarHBondContact N-O 3.03Å; K221-H231 VanDerWaalsContact CD-O 3.32Å; K221-H231 WeakPolarHBondContact CD-O 3.34Å; K221-H231 WeakPolarHBondContact CG-O 3.32Å; K221-H232 WeakPolarHBondContact CE-CD2 3.29Å; K221-H232 WeakPolarHBondContact CE-NE2 3.38Å; K221-H232 HydrophobicContact CG-CB 3.96Å; K221-H232 WeakPolarHBondContact CG-CD2 3.45Å; K221-N238 PolarHBondContact O-ND2 2.83Å; K221-N238 VanDerWaalsContact O-ND2 3.13Å; K221-I263 VanDerWaalsContact CE-CD1 3.44Å
222S98.4Very high98.7Very high9 Ų939 Ų396%0.06319%0.194CC..SBendtrans-73.6162.2176.759.70000111.2A220 S226 V228 N238A220-S222 VanDerWaalsContact C-N 3.27Å; S222-S226 WeakPolarHBondContact CB-OG 3.34Å; S222-V228 WeakPolarHBondContact CB-O 3.32Å; S222-V228 PolarHBondContact OG-O 3.37Å; S222-N238 PolarHBondContact O-ND2 3.5Å
223T98.8Very high98.7Very high87 Ų8738.6 Ų38.653%0.53419%0.192SC..PPolyproline II helixtrans-90.6162.3-178.852.90000111.8G225 S226T223-G225 PolarHBondContact O-N 3.27Å; T223-S226 WeakPolarHBondContact O-CB 3.38Å; T223-S226 PolarHBondContact O-N 2.95Å; T223-S226 VanDerWaalsContact O-N 3.1Å; T223-S226 PolarHBondContact O-OG 2.82Å
224F98.8Very high98.7Very high83 Ų8336.5 Ų36.536%0.36419%0.185SC..THydrogen-bonded Turntrans-53.5129.7178.7178.6-111.8000111.9F184 G187 D189 S226F184-F224 AromaticContact CD2-CD2 3.81Å; F184-F224 HydrophobicContact CD2-CD2 3.81Å; F184-F224 HydrophobicContact CE1-CB 4.07Å; F184-F224 HydrophobicContact CE2-CB 3.79Å; F184-F224 AromaticContact CE2-CD2 3.71Å; F184-F224 HydrophobicContact CE2-CD2 3.71Å; F184-F224 HydrophobicContact CE2-CG 4.19Å; F184-F224 HydrophobicContact CG-CD2 4.48Å; F184-F224 HydrophobicContact CZ-CB 3.54Å; F184-F224 HydrophobicContact CZ-CD2 4.31Å; F184-F224 HydrophobicContact CZ-CG 4.42Å; G187-F224 WeakPolarHBondContact O-CE2 3.44Å; G187-F224 WeakPolarHBondContact O-CZ 3.28Å; D189-F224 HydrophobicContact CB-CD2 4.36Å; D189-F224 HydrophobicContact CB-CE2 3.64Å; D189-F224 HydrophobicContact CB-CZ 4.04Å; F224-S226 PolarHBondContact O-N 2.91Å; F224-S226 VanDerWaalsContact O-N 3.15Å
225G98.6Very high98.7Very high37 Ų3738.1 Ų38.138%0.38120%0.202SC..THydrogen-bonded Turntrans6513.5178.400000114.8F184 A185 T223 R227F184-G225 PolarHBondContact O-N 3.13Å; A185-G225 CarbonylContact O-C 3.48Å; A185-G225 WeakPolarHBondContact O-CA 3.46Å; T223-G225 PolarHBondContact O-N 3.27Å; G225-R227 PolarHBondContact O-N 3.12Å
226S98.6Very high98.7Very high40 Ų4043.9 Ų43.928%0.2823%0.229SC..  trans-68.2-18.8-177.959.10000114.1A185 S222 T223 F224 V228A185-S226 PolarHBondContact O-N 3.47Å; S222-S226 WeakPolarHBondContact CB-OG 3.34Å; T223-S226 WeakPolarHBondContact O-CB 3.38Å; T223-S226 PolarHBondContact O-N 2.95Å; T223-S226 VanDerWaalsContact O-N 3.1Å; T223-S226 PolarHBondContact O-OG 2.82Å; F224-S226 PolarHBondContact O-N 2.91Å; F224-S226 VanDerWaalsContact O-N 3.15Å; S226-V228 PolarHBondContact O-N 2.92Å; S226-V228 PolarHBondContact OG-N 2.89Å
227R98.3Very high98.7Very high94 Ų9444.8 Ų44.836%0.35524%0.239SC..  trans51.437.3-166.9-60.5-173.366.2165.72.3113A148 G149 Q150 A185 G225A148-R227 WeakPolarHBondContact O-CA 3.39Å; A148-R227 WeakPolarHBondContact O-CB 3.45Å; G149-R227 PolarHBondContact O-NE 3.15Å; G149-R227 PolarHBondContact O-NH2 3.34Å; Q150-R227 WeakPolarHBondContact CG-O 3.14Å; A185-R227 WeakPolarHBondContact O-CA 3.24Å; A185-R227 PolarHBondContact O-N 2.95Å; G225-R227 PolarHBondContact O-N 3.12Å
228V98.6Very high98.7Very high53 Ų5348.2 Ų48.232%0.32126%0.257SS..  trans-121.8121.8176.9176.20000109.1A185 S222 S226 R230A185-V228 WeakPolarHBondContact CB-O 3.5Å; S222-V228 WeakPolarHBondContact CB-O 3.32Å; S222-V228 PolarHBondContact OG-O 3.37Å; S226-V228 PolarHBondContact O-N 2.92Å; S226-V228 PolarHBondContact OG-N 2.89Å; V228-R230 HydrophobicContact CG1-CG 3.9Å; V228-R230 PolarHBondContact O-N 2.86Å
229D98.4Very high98.7Very high52 Ų5248.6 Ų48.628%0.27826%0.259SS..  trans-84.7107.6174.4174.113.2000109.6A148 H182 H231A148-D229 HydrophobicContact CB-CB 3.79Å; H182-D229 IonicContact CD2-OD1 3.22Å; H182-D229 IonicContact NE2-OD1 2.95Å; H182-D229 PolarHBondContact NE2-OD1 3.12Å; H182-D229 IonicContact NE2-OD2 3.66Å; H182-D229 PolarHBondContact NE2-OD2 3.25Å; D229-H231 IonicContact OD1-CD2 3.86Å; D229-H231 PolarHBondContact OD1-CD2 3.47Å; D229-H231 IonicContact OD1-NE2 3.98Å; D229-H231 PolarHBondContact OD1-NE2 3.39Å; D229-H231 VanDerWaalsContact OD1-NE2 3.1Å
230R98.5Very high98.6Very high144 Ų14449.3 Ų49.354%0.54327%0.267SS..  trans-147.9104.1169.7-68.5-177.271.9-150.42109.1K221 V228K221-R230 HydrophobicContact CB-CB 3.87Å; K221-R230 WeakPolarHBondContact CB-O 3.15Å; K221-R230 PolarHBondContact N-O 3.03Å; V228-R230 HydrophobicContact CG1-CG 3.9Å; V228-R230 PolarHBondContact O-N 2.86Å
231H98.7Very high98.6Very high27 Ų2754 Ų5413%0.12529%0.288CS..EExtended strand (participates in β ladder)trans-67.2161.6179.3-59.1-175.7000112.7D179 C181 H182 N218 D219 K221 D229 E261 I263D179-H231 IonicContact OD2-CE1 2.83Å; D179-H231 IonicContact OD2-NE2 3.65Å; C181-H231 PolarHBondContact SG-CD2 2.81Å; H182-H231 AromaticContact NE2-NE2 3.66Å; N218-H231 HydrophobicContact CB-CB 4.38Å; N218-H231 PolarHBondContact ND2-CE1 2.87Å; N218-H231 PolarHBondContact ND2-ND1 3.02Å; D219-H231 CarbonylContact O-C 3.57Å; D219-H231 VanDerWaalsContact O-CA 3.32Å; D219-H231 WeakPolarHBondContact O-CA 3.35Å; K221-H231 VanDerWaalsContact CD-O 3.32Å; K221-H231 WeakPolarHBondContact CD-O 3.34Å; K221-H231 WeakPolarHBondContact CG-O 3.32Å; D229-H231 IonicContact OD1-CD2 3.86Å; D229-H231 PolarHBondContact OD1-CD2 3.47Å; D229-H231 IonicContact OD1-NE2 3.98Å; D229-H231 PolarHBondContact OD1-NE2 3.39Å; D229-H231 VanDerWaalsContact OD1-NE2 3.1Å; H231-E261 IonicContact CE1-OE2 3.65Å; H231-E261 PolarHBondContact ND1-O 3.08Å; H231-I263 HydrophobicContact CB-CG2 4.02Å; H231-I263 WeakPolarHBondContact O-CG2 3.4Å
232H98.8Very high98.6Very high36 Ų3652.6 Ų52.617%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-137.3161.4164.7-142.9-50.2000110.3D219 K221 E236 T262D219-H232 HydrophobicContact CB-CB 4.13Å; D219-H232 PolarHBondContact N-O 3.19Å; D219-H232 PolarHBondContact O-N 3.1Å; K221-H232 WeakPolarHBondContact CE-CD2 3.29Å; K221-H232 WeakPolarHBondContact CE-NE2 3.38Å; K221-H232 HydrophobicContact CG-CB 3.96Å; K221-H232 WeakPolarHBondContact CG-CD2 3.45Å; H232-E236 PolarHBondContact CD2-O 2.91Å; H232-E236 VanDerWaalsContact CE1-CB 3.4Å; H232-E236 WeakPolarHBondContact CE1-CB 3.44Å; H232-E236 IonicContact CE1-OE2 3.57Å; H232-E236 PolarHBondContact CE1-OE2 3.24Å; H232-E236 VanDerWaalsContact ND1-CB 3.29Å; H232-E236 WeakPolarHBondContact ND1-CB 3.24Å; H232-E236 IonicContact ND1-OE2 3.84Å; H232-E236 PolarHBondContact ND1-OE2 2.83Å; H232-E236 VanDerWaalsContact ND1-OE2 3.15Å; H232-T262 WeakPolarHBondContact O-CG2 3.4Å
233S98.9Very high98.6Very high2 Ų252.2 Ų52.21%0.01428%0.282CS..  trans-54.4151.1161.6-22.10000111.6D219 G235 E236 E271D219-S233 VanDerWaalsContact CB-O 3.28Å; D219-S233 WeakPolarHBondContact CB-O 3.28Å; S233-G235 PolarHBondContact O-N 2.77Å; S233-E236 WeakPolarHBondContact CB-OE2 3.38Å; S233-E236 PolarHBondContact O-N 3.25Å; S233-E236 PolarHBondContact OG-OE2 2.86Å; S233-E271 VanDerWaalsContact CA-OE1 3.3Å; S233-E271 WeakPolarHBondContact CA-OE1 3.13Å; S233-E271 WeakPolarHBondContact CB-OE1 3.13Å
234L98.8Very high98.6Very high24 Ų2448.1 Ų48.113%0.12626%0.257CS..THydrogen-bonded Turntrans-59.9123.5-175.4-56.9-171.3000111.7L217 E236 F244 L260 T262 E271 W274 L275L217-L234 WeakPolarHBondContact O-CD2 3.33Å; L234-E236 VanDerWaalsContact C-N 3.28Å; L234-E236 PolarHBondContact O-N 3.4Å; L234-F244 HydrophobicContact CB-CD2 4.23Å; L234-F244 HydrophobicContact CB-CE2 4.26Å; L234-F244 HydrophobicContact CD2-CD1 3.93Å; L234-F244 HydrophobicContact CD2-CD2 4.06Å; L234-F244 HydrophobicContact CD2-CE1 3.68Å; L234-F244 HydrophobicContact CD2-CE2 3.82Å; L234-F244 HydrophobicContact CD2-CG 4.13Å; L234-F244 HydrophobicContact CD2-CZ 3.63Å; L234-L260 HydrophobicContact CD1-CD2 3.85Å; L234-L260 HydrophobicContact CD2-CD2 4Å; L234-L260 HydrophobicContact CG-CD2 4.05Å; L234-T262 HydrophobicContact CD2-CG2 3.88Å; L234-T262 HydrophobicContact CG-CG2 4.2Å; L234-E271 HydrophobicContact CD1-CB 4.19Å; L234-E271 HydrophobicContact CD1-CG 4.44Å; L234-E271 HydrophobicContact CG-CG 4.33Å; L234-E271 WeakPolarHBondContact CG-OE1 3.48Å; L234-E271 PolarHBondContact N-OE1 2.83Å; L234-W274 HydrophobicContact CD1-CE3 4.12Å; L234-W274 HydrophobicContact CD1-CZ3 4.09Å; L234-L275 HydrophobicContact CD1-CD1 3.97Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L234-L275 HydrophobicContact CD1-CG 3.87Å
235G98.4Very high98.6Very high34 Ų3446.3 Ų46.335%0.35125%0.248SC..THydrogen-bonded Turntrans84-5177.300000115D219 S233D219-G235 VanDerWaalsContact OD2-CA 3.28Å; D219-G235 WeakPolarHBondContact OD2-CA 3.35Å; D219-G235 PolarHBondContact OD2-N 3.32Å; S233-G235 PolarHBondContact O-N 2.77Å
236E98.6Very high98.6Very high120 Ų12045.5 Ų45.556%0.56123%0.233SC*.SBendtrans-96.1-6.5177.8-63.7-169.1143.600113.3D219 H232 S233 L234D219-E236 PolarHBondContact OD2-N 3.3Å; H232-E236 PolarHBondContact CD2-O 2.91Å; H232-E236 VanDerWaalsContact CE1-CB 3.4Å; H232-E236 WeakPolarHBondContact CE1-CB 3.44Å; H232-E236 IonicContact CE1-OE2 3.57Å; H232-E236 PolarHBondContact CE1-OE2 3.24Å; H232-E236 VanDerWaalsContact ND1-CB 3.29Å; H232-E236 WeakPolarHBondContact ND1-CB 3.24Å; H232-E236 IonicContact ND1-OE2 3.84Å; H232-E236 PolarHBondContact ND1-OE2 2.83Å; H232-E236 VanDerWaalsContact ND1-OE2 3.15Å; S233-E236 WeakPolarHBondContact CB-OE2 3.38Å; S233-E236 PolarHBondContact O-N 3.25Å; S233-E236 PolarHBondContact OG-OE2 2.86Å; L234-E236 VanDerWaalsContact C-N 3.28Å; L234-E236 PolarHBondContact O-N 3.4Å
237G98.6Very high98.6Very high21 Ų2143.7 Ų43.722%0.21622%0.22CC..SBendtrans-104.8-161.4-179.200000114D219 A220D219-G237 VanDerWaalsContact CG-N 3.31Å; D219-G237 WeakPolarHBondContact OD1-CA 3.37Å; D219-G237 PolarHBondContact OD2-N 3.42Å; A220-G237 CarbonylContact O-C 3.38Å; A220-G237 WeakPolarHBondContact O-CA 3.21Å
238N98.8Very high98.6Very high73 Ų7339.2 Ų39.239%0.3920%0.203SC..SBendtrans-88.2-6.6-176.1-64.4-74000113.8F184 R191 D219 A220 K221 S222F184-N238 HydrophobicContact CE1-CB 3.68Å; F184-N238 HydrophobicContact CZ-CB 3.79Å; F184-N238 WeakPolarHBondContact CZ-O 3.4Å; R191-N238 WeakPolarHBondContact CD-O 3.46Å; R191-N238 WeakPolarHBondContact CG-O 3.18Å; D219-N238 PolarHBondContact OD1-N 2.65Å; A220-N238 PolarHBondContact O-N 3.32Å; A220-N238 PolarHBondContact O-ND2 3.18Å; A220-N238 VanDerWaalsContact O-ND2 3.08Å; K221-N238 PolarHBondContact O-ND2 2.83Å; K221-N238 VanDerWaalsContact O-ND2 3.13Å; S222-N238 PolarHBondContact O-ND2 3.5Å
239I98.9Very high98.6Very high7 Ų739.6 Ų39.64%0.03620%0.202CC..SBendtrans-84.2-47.6170.5-63.1165.9000109.1T180 F184 L190 N218 D219 A220 A243 F244T180-I239 WeakPolarHBondContact O-CD1 3.44Å; F184-I239 HydrophobicContact CB-CD1 3.64Å; F184-I239 HydrophobicContact CB-CG1 3.74Å; F184-I239 HydrophobicContact CD1-CD1 4.4Å; F184-I239 HydrophobicContact CD1-CG1 3.88Å; F184-I239 HydrophobicContact CD2-CG1 3.71Å; F184-I239 HydrophobicContact CE1-CG1 4.38Å; F184-I239 HydrophobicContact CE2-CG1 4.23Å; F184-I239 HydrophobicContact CG-CD1 3.98Å; F184-I239 HydrophobicContact CG-CG1 3.5Å; F184-I239 VanDerWaalsContact CG-CG1 3.5Å; L190-I239 HydrophobicContact CB-CG2 3.85Å; N218-I239 WeakPolarHBondContact O-CD1 3.17Å; D219-I239 VanDerWaalsContact OD1-CB 3.3Å; D219-I239 WeakPolarHBondContact OD1-CB 3.31Å; D219-I239 PolarHBondContact OD1-N 3.1Å; A220-I239 HydrophobicContact CB-CD1 3.99Å; A220-I239 HydrophobicContact CB-CG1 4.14Å; I239-A243 HydrophobicContact CG2-CB 3.5Å; I239-F244 HydrophobicContact CG2-CZ 4.45Å
240G98.5Very high98.6Very high16 Ų1638.3 Ų38.317%0.16520%0.195CC..  trans83.8180-178.300000113.6D219 F244D219-G240 PolarHBondContact OD1-N 3.02Å; D219-G240 PolarHBondContact OD2-N 2.9Å; G240-F244 VanDerWaalsContact O-CD2 3.28Å; G240-F244 WeakPolarHBondContact O-CD2 3.36Å; G240-F244 WeakPolarHBondContact O-CE2 3.43Å
241H98.3Very high98.6Very high97 Ų9737.5 Ų37.545%0.44920%0.201SC..Hα-helixtrans-75.9-27.6-17050.5-94.2000114.7A243 F244 R245 W274H241-A243 VanDerWaalsContact C-N 3.32Å; H241-A243 PolarHBondContact O-N 2.76Å; H241-F244 PolarHBondContact O-N 3.48Å; H241-R245 WeakPolarHBondContact O-CG 3.31Å; H241-R245 PolarHBondContact O-N 3.04Å; H241-W274 HydrophobicContact CB-CH2 4.07Å; H241-W274 HydrophobicContact CB-CZ2 4.12Å
242D98.3Very high98.6Very high49 Ų4939.8 Ų39.826%0.26221%0.209SC..Hα-helixtrans-66-32-169.9-80.9-22000113.4F244 R245 W246D242-F244 VanDerWaalsContact C-N 3.33Å; D242-F244 PolarHBondContact O-N 2.81Å; D242-R245 PolarHBondContact O-N 3.24Å; D242-R245 IonicContact OD1-NH1 2.82Å; D242-R245 PolarHBondContact OD1-NH1 3.08Å; D242-W246 WeakPolarHBondContact O-CB 3.5Å; D242-W246 PolarHBondContact O-N 3.15Å
243A98.7Very high98.6Very high1 Ų138 Ų381%0.00820%0.201CC..Hα-helixtrans-58.4-46.2174.500000111.7L190 I239 H241 W246 I247L190-A243 HydrophobicContact CB-CB 4.16Å; L190-A243 WeakPolarHBondContact O-CB 3.3Å; I239-A243 HydrophobicContact CG2-CB 3.5Å; H241-A243 VanDerWaalsContact C-N 3.32Å; H241-A243 PolarHBondContact O-N 2.76Å; A243-W246 WeakPolarHBondContact O-CB 3.5Å; A243-W246 PolarHBondContact O-N 3.01Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.48Å
244F98.8Very high98.6Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-70.1-37.7-177.7-50.4-65.7000111L217 D219 L234 I239 G240 H241 D242 W246 I247 M248 W274 L275L217-F244 HydrophobicContact CB-CD1 4.4Å; D219-F244 HydrophobicContact CB-CE2 4.09Å; D219-F244 HydrophobicContact CB-CZ 3.9Å; L234-F244 HydrophobicContact CB-CD2 4.23Å; L234-F244 HydrophobicContact CB-CE2 4.26Å; L234-F244 HydrophobicContact CD2-CD1 3.93Å; L234-F244 HydrophobicContact CD2-CD2 4.06Å; L234-F244 HydrophobicContact CD2-CE1 3.68Å; L234-F244 HydrophobicContact CD2-CE2 3.82Å; L234-F244 HydrophobicContact CD2-CG 4.13Å; L234-F244 HydrophobicContact CD2-CZ 3.63Å; I239-F244 HydrophobicContact CG2-CZ 4.45Å; G240-F244 VanDerWaalsContact O-CD2 3.28Å; G240-F244 WeakPolarHBondContact O-CD2 3.36Å; G240-F244 WeakPolarHBondContact O-CE2 3.43Å; H241-F244 PolarHBondContact O-N 3.48Å; D242-F244 VanDerWaalsContact C-N 3.33Å; D242-F244 PolarHBondContact O-N 2.81Å; F244-W246 VanDerWaalsContact C-N 3.34Å; F244-W246 PolarHBondContact O-N 2.96Å; F244-I247 PolarHBondContact O-N 2.91Å; F244-M248 WeakPolarHBondContact O-CB 3.36Å; F244-M248 WeakPolarHBondContact O-CG 3.17Å; F244-M248 PolarHBondContact O-N 3.23Å; F244-W274 HydrophobicContact CB-CH2 4.01Å; F244-W274 HydrophobicContact CB-CZ3 3.74Å; F244-L275 HydrophobicContact CB-CD2 3.92Å
245R98.6Very high98.6Very high45 Ų4541.6 Ų41.617%0.1723%0.229CC..Hα-helixtrans-59.8-46.1172-62.3175.467.2-145.9-5.5111.2H241 D242 M248 Q249 W274 Q278 K282 V284H241-R245 WeakPolarHBondContact O-CG 3.31Å; H241-R245 PolarHBondContact O-N 3.04Å; D242-R245 PolarHBondContact O-N 3.24Å; D242-R245 IonicContact OD1-NH1 2.82Å; D242-R245 PolarHBondContact OD1-NH1 3.08Å; R245-M248 PolarHBondContact O-N 3.2Å; R245-Q249 WeakPolarHBondContact O-CG 3.42Å; R245-Q249 PolarHBondContact O-N 3.44Å; R245-Q249 VanDerWaalsContact O-N 3.13Å; R245-W274 HydrophobicContact CG-CH2 3.76Å; R245-W274 HydrophobicContact CG-CZ2 3.82Å; R245-Q278 HydrophobicContact CG-CB 4.36Å; R245-Q278 HydrophobicContact CG-CG 3.86Å; R245-Q278 VanDerWaalsContact NE-OE1 3.15Å; R245-K282 PolarHBondContact NH2-O 3.14Å; R245-V284 HydrophobicContact CB-CG1 3.71Å
246W98.7Very high98.6Very high21 Ų2140.9 Ų40.98%0.0822%0.217CC..Hα-helixtrans-59.2-48.7177.5-175.689.9000111.8C196 E197 F200 D242 A243 F244 M248 Q249 D250 R252 F253 V284C196-W246 HydrophobicContact CB-CD2 3.58Å; C196-W246 HydrophobicContact CB-CE3 3.71Å; C196-W246 HydrophobicContact CB-CG 4.02Å; C196-W246 HydrophobicContact CB-CH2 4.41Å; C196-W246 HydrophobicContact CB-CZ2 4.28Å; C196-W246 HydrophobicContact CB-CZ3 4.13Å; E197-W246 HydrophobicContact CB-CZ2 4.17Å; E197-W246 WeakPolarHBondContact OE2-CZ2 3.42Å; F200-W246 HydrophobicContact CB-CH2 3.97Å; F200-W246 HydrophobicContact CD2-CE3 4.31Å; F200-W246 AromaticContact CD2-CH2 3.54Å; F200-W246 HydrophobicContact CD2-CH2 3.54Å; F200-W246 AromaticContact CD2-CZ3 3.28Å; F200-W246 HydrophobicContact CD2-CZ3 3.28Å; F200-W246 HydrophobicContact CE2-CE3 4.39Å; F200-W246 HydrophobicContact CE2-CH2 4.34Å; F200-W246 AromaticContact CE2-CZ3 3.62Å; F200-W246 HydrophobicContact CE2-CZ3 3.62Å; F200-W246 AromaticContact CG-CH2 3.98Å; F200-W246 HydrophobicContact CG-CH2 3.98Å; F200-W246 HydrophobicContact CG-CZ3 4.06Å; D242-W246 WeakPolarHBondContact O-CB 3.5Å; D242-W246 PolarHBondContact O-N 3.15Å; A243-W246 WeakPolarHBondContact O-CB 3.5Å; A243-W246 PolarHBondContact O-N 3.01Å; F244-W246 VanDerWaalsContact C-N 3.34Å; F244-W246 PolarHBondContact O-N 2.96Å; W246-M248 PolarHBondContact O-N 3.31Å; W246-Q249 PolarHBondContact O-N 3.36Å; W246-D250 PolarHBondContact O-N 2.96Å; W246-R252 VanDerWaalsContact CH2-NH2 3.35Å; W246-F253 HydrophobicContact CE3-CE2 4.34Å; W246-F253 HydrophobicContact CH2-CE2 4.13Å; W246-F253 HydrophobicContact CH2-CZ 4.32Å; W246-F253 AromaticContact CZ3-CE2 3.57Å; W246-F253 HydrophobicContact CZ3-CE2 3.57Å; W246-F253 AromaticContact CZ3-CZ 3.72Å; W246-F253 HydrophobicContact CZ3-CZ 3.72Å; W246-V284 HydrophobicContact CB-CG2 3.94Å; W246-V284 HydrophobicContact CG-CG2 4.41Å
247I98.8Very high98.6Very high1 Ų135.2 Ų35.21%0.00519%0.191CC..Hα-helixtrans-58.7-45.8176.4-69166.6000111K2 T180 M215 L217 A243 F244 Q249 D250 F253K2-I247 VanDerWaalsContact CE-O 3.25Å; K2-I247 WeakPolarHBondContact CE-O 3.45Å; T180-I247 HydrophobicContact CG2-CD1 3.77Å; M215-I247 HydrophobicContact CE-CD1 4.23Å; L217-I247 HydrophobicContact CD2-CD1 4.02Å; L217-I247 HydrophobicContact CD2-CG2 4.26Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.48Å; F244-I247 PolarHBondContact O-N 2.91Å; I247-Q249 PolarHBondContact O-N 3.11Å; I247-D250 PolarHBondContact O-N 2.9Å; I247-F253 HydrophobicContact CB-CD2 4.47Å; I247-F253 HydrophobicContact CG1-CE2 4.41Å; I247-F253 HydrophobicContact CG1-CZ 4.42Å; I247-F253 HydrophobicContact CG2-CB 4.23Å; I247-F253 HydrophobicContact CG2-CD1 4.21Å; I247-F253 HydrophobicContact CG2-CD2 3.97Å; I247-F253 HydrophobicContact CG2-CE2 4.4Å; I247-F253 HydrophobicContact CG2-CG 3.87Å
248M98.7Very high98.6Very high1 Ų134.2 Ų34.21%0.00518%0.18CC..Hα-helixtrans-66.4-26.9-176.8-68.3-45.6-64.800113.3K2 I4 F244 R245 W246 L258 L275 Q278 Q279K2-M248 HydrophobicContact CB-CE 4.21Å; K2-M248 HydrophobicContact CD-CE 3.4Å; K2-M248 HydrophobicContact CD-SD 3.94Å; K2-M248 VanDerWaalsContact CE-O 3.26Å; K2-M248 WeakPolarHBondContact CE-O 3.25Å; K2-M248 HydrophobicContact CG-CE 4.4Å; K2-M248 PolarHBondContact NZ-O 3Å; I4-M248 HydrophobicContact CD1-CE 3.34Å; I4-M248 HydrophobicContact CG1-CE 3.75Å; F244-M248 WeakPolarHBondContact O-CB 3.36Å; F244-M248 WeakPolarHBondContact O-CG 3.17Å; F244-M248 PolarHBondContact O-N 3.23Å; R245-M248 PolarHBondContact O-N 3.2Å; W246-M248 PolarHBondContact O-N 3.31Å; M248-L258 HydrophobicContact CE-CD1 4.4Å; M248-L258 HydrophobicContact SD-CD1 4Å; M248-L275 HydrophobicContact CE-CB 4.25Å; M248-L275 WeakPolarHBondContact CE-O 3.42Å; M248-L275 HydrophobicContact CG-CB 4.18Å; M248-L275 HydrophobicContact CG-CD2 3.64Å; M248-L275 WeakPolarHBondContact CG-O 3.45Å; M248-L275 HydrophobicContact SD-CB 4.17Å; M248-L275 HydrophobicContact SD-CD2 3.98Å; M248-Q278 HydrophobicContact CB-CB 3.96Å; M248-Q278 HydrophobicContact CG-CB 4.33Å; M248-Q279 HydrophobicContact CB-CG 4.13Å; M248-Q279 HydrophobicContact CE-CG 3.57Å
249Q98.4Very high98.7Very high61 Ų6130.7 Ų30.729%0.28516%0.162SC..Hα-helixtrans-87.7-8177.7-70.9176.9-16400114.6R245 W246 I247 Q278 K282 A283 V284R245-Q249 WeakPolarHBondContact O-CG 3.42Å; R245-Q249 PolarHBondContact O-N 3.44Å; R245-Q249 VanDerWaalsContact O-N 3.13Å; W246-Q249 PolarHBondContact O-N 3.36Å; I247-Q249 PolarHBondContact O-N 3.11Å; Q249-Q278 WeakPolarHBondContact CG-O 3.26Å; Q249-K282 PolarHBondContact OE1-O 2.99Å; Q249-A283 VanDerWaalsContact OE1-CA 3.29Å; Q249-V284 VanDerWaalsContact NE2-CG2 3.28Å; Q249-V284 VanDerWaalsContact NE2-N 3.14Å
250D98.5Very high98.7Very high24 Ų2430.4 Ų30.413%0.12816%0.16CC..  trans-101.6127.9-175-174-47.3000111.3K2 W246 I247 R252 F253K2-D250 WeakPolarHBondContact CE-O 3.33Å; K2-D250 PolarHBondContact NZ-O 3.44Å; W246-D250 PolarHBondContact O-N 2.96Å; I247-D250 PolarHBondContact O-N 2.9Å; D250-R252 VanDerWaalsContact C-N 3.25Å; D250-R252 PolarHBondContact O-N 3.06Å; D250-R252 WeakPolarHBondContact OD1-CB 3.22Å; D250-R252 WeakPolarHBondContact OD1-CG 3.21Å; D250-R252 IonicContact OD1-CZ 3.52Å; D250-R252 PolarHBondContact OD1-N 3.2Å; D250-R252 IonicContact OD1-NE 3.95Å; D250-R252 PolarHBondContact OD1-NE 3.44Å; D250-R252 IonicContact OD2-CZ 2.78Å; D250-R252 IonicContact OD2-NE 3.74Å; D250-R252 PolarHBondContact OD2-NE 3.07Å; D250-R252 IonicContact OD2-NH2 3.71Å; D250-R252 PolarHBondContact OD2-NH2 3.08Å; D250-F253 HydrophobicContact CB-CD2 3.75Å; D250-F253 HydrophobicContact CB-CE2 3.79Å
251D98.2Very high98.7Very high127 Ų12731.4 Ų31.468%0.67916%0.16SC*.G310 helixtrans-72.6-15.5-173.367.57.1000114F253 D254D251-F253 PolarHBondContact O-N 3.23Å; D251-F253 VanDerWaalsContact O-N 3.16Å; D251-D254 WeakPolarHBondContact O-CB 3.21Å; D251-D254 PolarHBondContact O-N 3.17Å; D251-D254 VanDerWaalsContact O-N 3.13Å
252R98.7Very high98.7Very high75 Ų7527 Ų2728%0.28314%0.14SC..G310 helixtrans-66.8-16.2178.8-60.3176.2-75.3-172.9-4.2112.7E197 F209 W246 D250E197-R252 IonicContact OE2-CZ 3.36Å; E197-R252 IonicContact OE2-NH1 3.19Å; E197-R252 IonicContact OE2-NH2 3.64Å; E197-R252 PolarHBondContact OE2-NH2 3.45Å; F209-R252 HydrophobicContact CD1-CB 3.76Å; F209-R252 HydrophobicContact CE1-CB 3.59Å; F209-R252 HydrophobicContact CE1-CG 4.41Å; F209-R252 HydrophobicContact CG-CB 4.43Å; F209-R252 HydrophobicContact CZ-CB 4.13Å; W246-R252 VanDerWaalsContact CH2-NH2 3.35Å; D250-R252 VanDerWaalsContact C-N 3.25Å; D250-R252 PolarHBondContact O-N 3.06Å; D250-R252 WeakPolarHBondContact OD1-CB 3.22Å; D250-R252 WeakPolarHBondContact OD1-CG 3.21Å; D250-R252 IonicContact OD1-CZ 3.52Å; D250-R252 PolarHBondContact OD1-N 3.2Å; D250-R252 IonicContact OD1-NE 3.95Å; D250-R252 PolarHBondContact OD1-NE 3.44Å; D250-R252 IonicContact OD2-CZ 2.78Å; D250-R252 IonicContact OD2-NE 3.74Å; D250-R252 PolarHBondContact OD2-NE 3.07Å; D250-R252 IonicContact OD2-NH2 3.71Å; D250-R252 PolarHBondContact OD2-NH2 3.08Å
253F98.8Very high98.7Very high0 Ų028 Ų280%015%0.145CC..G310 helixtrans-100.910.6178.2-52.9-80.1000113.4F200 F209 L212 M215 W246 I247 D250 D251 I256 L258F200-F253 HydrophobicContact CD1-CE1 4.09Å; F200-F253 AromaticContact CD1-CZ 3.8Å; F200-F253 HydrophobicContact CD1-CZ 3.8Å; F200-F253 HydrophobicContact CD2-CZ 4.13Å; F200-F253 AromaticContact CE1-CE1 3.53Å; F200-F253 HydrophobicContact CE1-CE1 3.53Å; F200-F253 AromaticContact CE1-CZ 3.59Å; F200-F253 HydrophobicContact CE1-CZ 3.59Å; F200-F253 HydrophobicContact CE2-CE1 4.47Å; F200-F253 AromaticContact CE2-CZ 3.93Å; F200-F253 HydrophobicContact CE2-CZ 3.93Å; F200-F253 HydrophobicContact CG-CZ 4.07Å; F200-F253 AromaticContact CZ-CE1 3.75Å; F200-F253 HydrophobicContact CZ-CE1 3.75Å; F200-F253 AromaticContact CZ-CZ 3.66Å; F200-F253 HydrophobicContact CZ-CZ 3.66Å; F209-F253 HydrophobicContact CE1-CE1 4.1Å; F209-F253 HydrophobicContact CE1-CZ 4.14Å; F209-F253 HydrophobicContact CZ-CZ 4.37Å; L212-F253 HydrophobicContact CD2-CD1 3.87Å; L212-F253 HydrophobicContact CD2-CE1 4.05Å; M215-F253 HydrophobicContact CE-CE1 4.21Å; M215-F253 HydrophobicContact CG-CD1 3.9Å; M215-F253 HydrophobicContact CG-CE1 4.41Å; M215-F253 HydrophobicContact SD-CD1 3.94Å; M215-F253 HydrophobicContact SD-CE1 3.85Å; W246-F253 HydrophobicContact CE3-CE2 4.34Å; W246-F253 HydrophobicContact CH2-CE2 4.13Å; W246-F253 HydrophobicContact CH2-CZ 4.32Å; W246-F253 AromaticContact CZ3-CE2 3.57Å; W246-F253 HydrophobicContact CZ3-CE2 3.57Å; W246-F253 AromaticContact CZ3-CZ 3.72Å; W246-F253 HydrophobicContact CZ3-CZ 3.72Å; I247-F253 HydrophobicContact CB-CD2 4.47Å; I247-F253 HydrophobicContact CG1-CE2 4.41Å; I247-F253 HydrophobicContact CG1-CZ 4.42Å; I247-F253 HydrophobicContact CG2-CB 4.23Å; I247-F253 HydrophobicContact CG2-CD1 4.21Å; I247-F253 HydrophobicContact CG2-CD2 3.97Å; I247-F253 HydrophobicContact CG2-CE2 4.4Å; I247-F253 HydrophobicContact CG2-CG 3.87Å; D250-F253 HydrophobicContact CB-CD2 3.75Å; D250-F253 HydrophobicContact CB-CE2 3.79Å; D251-F253 PolarHBondContact O-N 3.23Å; D251-F253 VanDerWaalsContact O-N 3.16Å; F253-I256 WeakPolarHBondContact O-CG1 3.47Å; F253-L258 HydrophobicContact CB-CD2 4.34Å
254D98.7Very high98.7Very high59 Ų5930.6 Ų30.632%0.31616%0.159SC..THydrogen-bonded Turntrans-77.3153.7175.6-79.821.5000112.1M1 K2 D251 I256M1-D254 PolarHBondContact N-OD2 3.35Å; K2-D254 WeakPolarHBondContact CE-OD1 3.32Å; K2-D254 WeakPolarHBondContact CG-OD1 3.43Å; K2-D254 IonicContact NZ-OD1 3.5Å; K2-D254 PolarHBondContact NZ-OD1 2.98Å; D251-D254 WeakPolarHBondContact O-CB 3.21Å; D251-D254 PolarHBondContact O-N 3.17Å; D251-D254 VanDerWaalsContact O-N 3.13Å; D254-I256 PolarHBondContact O-N 3.41Å
255G98.5Very high98.7Very high41 Ų4133.9 Ų33.942%0.42318%0.18SC..THydrogen-bonded Turntrans76.43.8170.700000115.6M1M1-G255 PolarHBondContact O-N 3.42Å
256I98.9Very high98.7Very high19 Ų1938.7 Ų38.710%0.09721%0.209CC..SBendtrans-120156.5179.160.3173.9000111.4L212 M215 F253 D254 L258L212-I256 HydrophobicContact CD2-CD1 3.81Å; L212-I256 HydrophobicContact CG-CD1 3.8Å; M215-I256 HydrophobicContact CG-CD1 4.16Å; F253-I256 WeakPolarHBondContact O-CG1 3.47Å; D254-I256 PolarHBondContact O-N 3.41Å; I256-L258 HydrophobicContact CD1-CD2 4.13Å; I256-L258 HydrophobicContact CG1-CD2 3.92Å; I256-L258 PolarHBondContact O-N 3.38Å
257P98.9Very high98.7Very high1 Ų139.7 Ų39.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-66.2124.7171.4-18.733.4000111.3A28 A64 L67 L105 R213 G214 M215 I259A28-P257 HydrophobicContact CB-CB 4.05Å; A64-P257 WeakPolarHBondContact O-CD 3.26Å; A64-P257 WeakPolarHBondContact O-CG 3.37Å; L67-P257 HydrophobicContact CB-CB 3.85Å; L67-P257 HydrophobicContact CB-CG 4.03Å; L105-P257 HydrophobicContact CD1-CG 4.08Å; R213-P257 VanDerWaalsContact O-CD 3.31Å; R213-P257 WeakPolarHBondContact O-CD 3.26Å; G214-P257 VanDerWaalsContact CA-O 3.31Å; G214-P257 WeakPolarHBondContact CA-O 3.43Å; M215-P257 PolarHBondContact N-O 3.19Å; P257-I259 HydrophobicContact CB-CD1 3.93Å; P257-I259 HydrophobicContact CB-CG1 4.09Å
258L99Very high98.7Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-110107171.9-50.2178.7000107.7K2 Y3 I4 G5 M215 L217 M248 F253 I256K2-L258 HydrophobicContact CB-CD1 3.95Å; K2-L258 HydrophobicContact CD-CD1 3.87Å; K2-L258 HydrophobicContact CG-CD1 4.14Å; Y3-L258 WeakPolarHBondContact O-CB 3.19Å; Y3-L258 PolarHBondContact O-N 3.43Å; I4-L258 WeakPolarHBondContact CA-O 3.42Å; I4-L258 HydrophobicContact CG1-CD1 4.24Å; G5-L258 PolarHBondContact N-O 2.7Å; M215-L258 HydrophobicContact CB-CD2 3.63Å; M215-L258 HydrophobicContact CG-CD2 3.68Å; L217-L258 HydrophobicContact CD1-CB 3.91Å; L217-L258 HydrophobicContact CG-CB 4.34Å; M248-L258 HydrophobicContact CE-CD1 4.4Å; M248-L258 HydrophobicContact SD-CD1 4Å; F253-L258 HydrophobicContact CB-CD2 4.34Å; I256-L258 HydrophobicContact CD1-CD2 4.13Å; I256-L258 HydrophobicContact CG1-CD2 3.92Å; I256-L258 PolarHBondContact O-N 3.38Å
259I99Very high98.7Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-114.3127.6-163.3-57.3-56.5000110.7G5 H7 A28 A30 L67 M215 H216 L217 P257 E261G5-I259 CarbonylContact O-C 3.58Å; H7-I259 HydrophobicContact CB-CG2 4.16Å; A28-I259 HydrophobicContact CB-CD1 3.85Å; A30-I259 HydrophobicContact CB-CD1 4.38Å; A30-I259 HydrophobicContact CB-CG1 4.21Å; A30-I259 HydrophobicContact CB-CG2 3.62Å; L67-I259 HydrophobicContact CB-CG1 4.23Å; L67-I259 HydrophobicContact CD2-CG1 4.21Å; M215-I259 PolarHBondContact O-N 3.43Å; H216-I259 CarbonylContact C-O 3.54Å; H216-I259 VanDerWaalsContact CA-O 3.23Å; H216-I259 WeakPolarHBondContact CA-O 3.26Å; L217-I259 PolarHBondContact N-O 2.9Å; P257-I259 HydrophobicContact CB-CD1 3.93Å; P257-I259 HydrophobicContact CB-CG1 4.09Å; I259-E261 HydrophobicContact CG2-CG 4.33Å
260L98.9Very high98.7Very high0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-78.9128166.8-60.2168.2000110G5 A6 H7 L217 L234 T262 E271 I272 L275G5-L260 WeakPolarHBondContact O-CB 3.23Å; G5-L260 WeakPolarHBondContact O-CG 3.33Å; G5-L260 PolarHBondContact O-N 2.89Å; A6-L260 CarbonylContact C-O 3.38Å; A6-L260 VanDerWaalsContact CA-O 3.26Å; A6-L260 WeakPolarHBondContact CA-O 3.38Å; A6-L260 HydrophobicContact CB-CB 4Å; H7-L260 PolarHBondContact N-O 2.98Å; L217-L260 HydrophobicContact CB-CD2 4.12Å; L217-L260 WeakPolarHBondContact O-CD2 3.29Å; L234-L260 HydrophobicContact CD1-CD2 3.85Å; L234-L260 HydrophobicContact CD2-CD2 4Å; L234-L260 HydrophobicContact CG-CD2 4.05Å; L260-T262 HydrophobicContact CB-CG2 4.36Å; L260-T262 HydrophobicContact CD2-CG2 3.91Å; L260-E271 HydrophobicContact CD1-CB 3.7Å; L260-I272 HydrophobicContact CD1-CG1 3.73Å; L260-L275 HydrophobicContact CD2-CD1 3.98Å; L260-L275 HydrophobicContact CG-CD1 4.48Å
261E98.8Very high98.7Very high37 Ų3746.4 Ų46.417%0.17325%0.252CS..  trans-118.330.8161.8-54177.8121.600109.4H7 H69 H216 N218 H231 I259H7-E261 HydrophobicContact CB-CG 3.99Å; H7-E261 IonicContact ND1-OE1 3.02Å; H7-E261 PolarHBondContact ND1-OE1 2.66Å; H69-E261 IonicContact CD2-OE1 3.1Å; H216-E261 IonicContact CE1-OE1 2.62Å; H216-E261 IonicContact CE1-OE2 2.91Å; H216-E261 IonicContact CG-OE2 2.65Å; H216-E261 IonicContact ND1-OE1 2.7Å; H216-E261 IonicContact ND1-OE2 2.83Å; H216-E261 PolarHBondContact ND1-OE2 3.37Å; N218-E261 PolarHBondContact ND2-OE2 3.06Å; N218-E261 VanDerWaalsContact OD1-CA 3.24Å; N218-E261 WeakPolarHBondContact OD1-CA 3.44Å; N218-E261 WeakPolarHBondContact OD1-CB 3.33Å; N218-E261 PolarHBondContact OD1-N 2.94Å; N218-E261 PolarHBondContact OD1-O 3.11Å; H231-E261 IonicContact CE1-OE2 3.65Å; H231-E261 PolarHBondContact ND1-O 3.08Å; I259-E261 HydrophobicContact CG2-CG 4.33Å
262T98.8Very high98.8Very high4 Ų440.4 Ų40.43%0.02522%0.22CC..  trans-64.2155.6178.757.90000110.5N218 H232 L234 L260 N264 W268 E271N218-T262 PolarHBondContact OD1-N 3.01Å; H232-T262 WeakPolarHBondContact O-CG2 3.4Å; L234-T262 HydrophobicContact CD2-CG2 3.88Å; L234-T262 HydrophobicContact CG-CG2 4.2Å; L260-T262 HydrophobicContact CB-CG2 4.36Å; L260-T262 HydrophobicContact CD2-CG2 3.91Å; T262-N264 VanDerWaalsContact C-N 3.31Å; T262-N264 PolarHBondContact O-N 3.15Å; T262-W268 PolarHBondContact O-NE1 2.72Å; T262-W268 PolarHBondContact OG1-NE1 3.38Å; T262-E271 WeakPolarHBondContact CB-OE2 3.42Å; T262-E271 PolarHBondContact OG1-OE2 3.14Å
263I98.5Very high98.8Very high72 Ų7239.4 Ų39.437%0.36923%0.228SC..SBendtrans-76.3-12.9-163.462171.5000115.4K221 H231K221-I263 VanDerWaalsContact CE-CD1 3.44Å; H231-I263 HydrophobicContact CB-CG2 4.02Å; H231-I263 WeakPolarHBondContact O-CG2 3.4Å
264N98.5Very high98.8Very high54 Ų5443.2 Ų43.229%0.28924%0.243SC..  trans-124.591.8-171.3-174.814000110.7T262 D266 I267T262-N264 VanDerWaalsContact C-N 3.31Å; T262-N264 PolarHBondContact O-N 3.15Å; N264-D266 PolarHBondContact O-N 3.2Å; N264-D266 VanDerWaalsContact O-N 3.14Å; N264-D266 WeakPolarHBondContact OD1-CB 3.39Å; N264-D266 PolarHBondContact OD1-N 2.85Å; N264-I267 HydrophobicContact CB-CD1 4.18Å; N264-I267 HydrophobicContact CB-CG1 3.98Å; N264-I267 VanDerWaalsContact O-CG1 3.26Å; N264-I267 WeakPolarHBondContact O-CG1 3.11Å; N264-I267 PolarHBondContact O-N 2.71Å
265P98.3Very high98.8Very high69 Ų6940.4 Ų40.445%0.44823%0.228SC..G310 helixtrans-59.9-24179.9-25.535.4000114.8I267 W268P265-I267 PolarHBondContact O-N 2.83Å; P265-W268 HydrophobicContact CB-CD2 3.97Å; P265-W268 HydrophobicContact CB-CE3 3.82Å; P265-W268 HydrophobicContact CB-CH2 3.97Å; P265-W268 HydrophobicContact CB-CZ2 4.09Å; P265-W268 HydrophobicContact CB-CZ3 3.82Å; P265-W268 HydrophobicContact CG-CH2 3.88Å; P265-W268 HydrophobicContact CG-CZ2 3.85Å; P265-W268 HydrophobicContact CG-CZ3 4.25Å; P265-W268 PolarHBondContact O-N 3.43Å
266D98.6Very high98.8Very high147 Ų14740.8 Ų40.879%0.78622%0.218SC*.G310 helixtrans-65.5-19.6-177.5-65.5-17.3000112.6N264N264-D266 PolarHBondContact O-N 3.2Å; N264-D266 VanDerWaalsContact O-N 3.14Å; N264-D266 WeakPolarHBondContact OD1-CB 3.39Å; N264-D266 PolarHBondContact OD1-N 2.85Å
267I98.7Very high98.7Very high41 Ų4141.3 Ų41.321%0.2123%0.225CC..G310 helixtrans-112.26.2-179.963.6171.1000113.4N264 P265 A269 E270 E271N264-I267 HydrophobicContact CB-CD1 4.18Å; N264-I267 HydrophobicContact CB-CG1 3.98Å; N264-I267 VanDerWaalsContact O-CG1 3.26Å; N264-I267 WeakPolarHBondContact O-CG1 3.11Å; N264-I267 PolarHBondContact O-N 2.71Å; P265-I267 PolarHBondContact O-N 2.83Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.79Å; I267-E270 WeakPolarHBondContact O-CA 3.4Å; I267-E270 WeakPolarHBondContact O-CB 3.45Å; I267-E270 PolarHBondContact O-N 2.86Å; I267-E271 HydrophobicContact CD1-CG 4.35Å; I267-E271 HydrophobicContact CG1-CG 4.35Å; I267-E271 PolarHBondContact O-N 2.66Å
268W98.8Very high98.7Very high30 Ų3041.4 Ų41.411%0.11423%0.225CC..Hα-helixtrans-58.8-37.6-178.7-77.6-17.6000113.2A6 H7 V8 I24 T262 P265 E270 E271 I272A6-W268 HydrophobicContact CB-CD2 3.63Å; A6-W268 HydrophobicContact CB-CE3 3.69Å; A6-W268 HydrophobicContact CB-CG 4.05Å; A6-W268 HydrophobicContact CB-CH2 4.45Å; A6-W268 HydrophobicContact CB-CZ2 4.41Å; A6-W268 HydrophobicContact CB-CZ3 4.11Å; H7-W268 VanDerWaalsContact O-CH2 3.24Å; H7-W268 WeakPolarHBondContact O-CH2 3.45Å; V8-W268 HydrophobicContact CG1-CE3 4.46Å; V8-W268 HydrophobicContact CG1-CZ3 4.18Å; I24-W268 HydrophobicContact CD1-CB 4.14Å; I24-W268 HydrophobicContact CD1-CE3 4.3Å; T262-W268 PolarHBondContact O-NE1 2.72Å; T262-W268 PolarHBondContact OG1-NE1 3.38Å; P265-W268 HydrophobicContact CB-CD2 3.97Å; P265-W268 HydrophobicContact CB-CE3 3.82Å; P265-W268 HydrophobicContact CB-CH2 3.97Å; P265-W268 HydrophobicContact CB-CZ2 4.09Å; P265-W268 HydrophobicContact CB-CZ3 3.82Å; P265-W268 HydrophobicContact CG-CH2 3.88Å; P265-W268 HydrophobicContact CG-CZ2 3.85Å; P265-W268 HydrophobicContact CG-CZ3 4.25Å; P265-W268 PolarHBondContact O-N 3.43Å; W268-E270 VanDerWaalsContact C-N 3.26Å; W268-E270 PolarHBondContact O-N 3.13Å; W268-E271 PolarHBondContact O-N 2.97Å; W268-I272 VanDerWaalsContact O-CB 3.31Å; W268-I272 WeakPolarHBondContact O-CB 3.38Å; W268-I272 WeakPolarHBondContact O-CD1 3.42Å; W268-I272 WeakPolarHBondContact O-CG1 3.45Å; W268-I272 PolarHBondContact O-N 3.42Å
269A98.8Very high98.7Very high44 Ų4444.8 Ų44.836%0.36424%0.241SC..Hα-helixtrans-60.7-37.9175.300000111.8I24 I267 A273I24-A269 HydrophobicContact CB-CB 4.05Å; I24-A269 HydrophobicContact CG2-CB 4.31Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.79Å; A269-A273 VanDerWaalsContact O-CB 3.31Å; A269-A273 WeakPolarHBondContact O-CB 3.46Å; A269-A273 PolarHBondContact O-N 3.17Å
270E98.8Very high98.5Very high141 Ų14151 Ų5166%0.65928%0.279SS*.Hα-helixtrans-72.2-43.6177.3-61.4-178-168.200111.5I267 W268 A273 W274I267-E270 WeakPolarHBondContact O-CA 3.4Å; I267-E270 WeakPolarHBondContact O-CB 3.45Å; I267-E270 PolarHBondContact O-N 2.86Å; W268-E270 VanDerWaalsContact C-N 3.26Å; W268-E270 PolarHBondContact O-N 3.13Å; E270-A273 PolarHBondContact O-N 3.35Å; E270-W274 VanDerWaalsContact O-CB 3.3Å; E270-W274 WeakPolarHBondContact O-CB 3.43Å; E270-W274 PolarHBondContact O-N 2.95Å
271E98.9Very high98.3Very high13 Ų1356.2 Ų56.26%0.06130%0.304CS..Hα-helixtrans-62.3-42.7175.8-69.7-173.5137.100111.7S233 L234 L260 T262 I267 W268 W274 L275S233-E271 VanDerWaalsContact CA-OE1 3.3Å; S233-E271 WeakPolarHBondContact CA-OE1 3.13Å; S233-E271 WeakPolarHBondContact CB-OE1 3.13Å; L234-E271 HydrophobicContact CD1-CB 4.19Å; L234-E271 HydrophobicContact CD1-CG 4.44Å; L234-E271 HydrophobicContact CG-CG 4.33Å; L234-E271 WeakPolarHBondContact CG-OE1 3.48Å; L234-E271 PolarHBondContact N-OE1 2.83Å; L260-E271 HydrophobicContact CD1-CB 3.7Å; T262-E271 WeakPolarHBondContact CB-OE2 3.42Å; T262-E271 PolarHBondContact OG1-OE2 3.14Å; I267-E271 HydrophobicContact CD1-CG 4.35Å; I267-E271 HydrophobicContact CG1-CG 4.35Å; I267-E271 PolarHBondContact O-N 2.66Å; W268-E271 PolarHBondContact O-N 2.97Å; E271-W274 PolarHBondContact O-N 2.89Å; E271-L275 WeakPolarHBondContact O-CG 3.4Å; E271-L275 PolarHBondContact O-N 3.27Å
272I98.9Very high97.8Very high1 Ų162.8 Ų62.81%0.00533%0.332CS..Hα-helixtrans-61.7-48.5175.2-70.6165.2000110.4I4 I24 A26 L260 W268 W274 L275 K276I4-I272 HydrophobicContact CG2-CG1 4.39Å; I4-I272 HydrophobicContact CG2-CG2 4.28Å; I24-I272 HydrophobicContact CB-CD1 4.26Å; I24-I272 HydrophobicContact CD1-CD1 3.56Å; I24-I272 HydrophobicContact CG1-CD1 3.75Å; A26-I272 HydrophobicContact CB-CD1 4.14Å; L260-I272 HydrophobicContact CD1-CG1 3.73Å; W268-I272 VanDerWaalsContact O-CB 3.31Å; W268-I272 WeakPolarHBondContact O-CB 3.38Å; W268-I272 WeakPolarHBondContact O-CD1 3.42Å; W268-I272 WeakPolarHBondContact O-CG1 3.45Å; W268-I272 PolarHBondContact O-N 3.42Å; I272-W274 VanDerWaalsContact C-N 3.31Å; I272-W274 PolarHBondContact O-N 3.3Å; I272-L275 PolarHBondContact O-N 3.12Å; I272-K276 HydrophobicContact CG2-CD 4.34Å; I272-K276 WeakPolarHBondContact O-CG 3.4Å; I272-K276 PolarHBondContact O-N 3.47Å
273A98.8Very high97.2Very high54 Ų5466.1 Ų66.145%0.44636%0.36SS..Hα-helixtrans-62.2-40.7178.700000111.7A269 E270 K276 A277A269-A273 VanDerWaalsContact O-CB 3.31Å; A269-A273 WeakPolarHBondContact O-CB 3.46Å; A269-A273 PolarHBondContact O-N 3.17Å; E270-A273 PolarHBondContact O-N 3.35Å; A273-K276 PolarHBondContact O-N 3.15Å; A273-A277 PolarHBondContact O-N 2.7Å
274W98.8Very high96.5Very high81 Ų8163.8 Ų63.831%0.30735%0.349SS..Hα-helixtrans-62.8-48.7177179.682.5000111.6L234 H241 F244 R245 E270 E271 I272 K276 A277 Q278L234-W274 HydrophobicContact CD1-CE3 4.12Å; L234-W274 HydrophobicContact CD1-CZ3 4.09Å; H241-W274 HydrophobicContact CB-CH2 4.07Å; H241-W274 HydrophobicContact CB-CZ2 4.12Å; F244-W274 HydrophobicContact CB-CH2 4.01Å; F244-W274 HydrophobicContact CB-CZ3 3.74Å; R245-W274 HydrophobicContact CG-CH2 3.76Å; R245-W274 HydrophobicContact CG-CZ2 3.82Å; E270-W274 VanDerWaalsContact O-CB 3.3Å; E270-W274 WeakPolarHBondContact O-CB 3.43Å; E270-W274 PolarHBondContact O-N 2.95Å; E271-W274 PolarHBondContact O-N 2.89Å; I272-W274 VanDerWaalsContact C-N 3.31Å; I272-W274 PolarHBondContact O-N 3.3Å; W274-K276 VanDerWaalsContact C-N 3.33Å; W274-K276 PolarHBondContact O-N 3.14Å; W274-A277 WeakPolarHBondContact O-CB 3.3Å; W274-A277 PolarHBondContact O-N 2.95Å; W274-Q278 HydrophobicContact CD2-CG 3.92Å; W274-Q278 HydrophobicContact CE3-CG 4.1Å; W274-Q278 HydrophobicContact CH2-CG 3.87Å; W274-Q278 HydrophobicContact CZ2-CG 3.66Å; W274-Q278 HydrophobicContact CZ3-CG 4.08Å; W274-Q278 WeakPolarHBondContact O-CG 3.27Å; W274-Q278 PolarHBondContact O-N 3.07Å; W274-Q278 PolarHBondContact O-NE2 2.71Å
275L98.8Very high95.2Very high0 Ų068 Ų680%039%0.39CS..Hα-helixtrans-56.6-45.3176.2-76172.2000111.9I4 L217 L234 F244 M248 L260 E271 I272 A277 Q278I4-L275 HydrophobicContact CG2-CB 4.06Å; I4-L275 HydrophobicContact CG2-CD1 3.64Å; L217-L275 HydrophobicContact CD1-CD1 3.69Å; L217-L275 HydrophobicContact CD1-CD2 4.14Å; L234-L275 HydrophobicContact CD1-CD1 3.97Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L234-L275 HydrophobicContact CD1-CG 3.87Å; F244-L275 HydrophobicContact CB-CD2 3.92Å; M248-L275 HydrophobicContact CE-CB 4.25Å; M248-L275 WeakPolarHBondContact CE-O 3.42Å; M248-L275 HydrophobicContact CG-CB 4.18Å; M248-L275 HydrophobicContact CG-CD2 3.64Å; M248-L275 WeakPolarHBondContact CG-O 3.45Å; M248-L275 HydrophobicContact SD-CB 4.17Å; M248-L275 HydrophobicContact SD-CD2 3.98Å; L260-L275 HydrophobicContact CD2-CD1 3.98Å; L260-L275 HydrophobicContact CG-CD1 4.48Å; E271-L275 WeakPolarHBondContact O-CG 3.4Å; E271-L275 PolarHBondContact O-N 3.27Å; I272-L275 PolarHBondContact O-N 3.12Å; L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 3.08Å; L275-Q278 PolarHBondContact O-N 3.04Å
276K98.7Very high95.1Very high48 Ų4867.9 Ų67.921%0.20939%0.388CS..Hα-helixtrans-57.1-42.9174.8-72.4175.8-176.1-178.70111.4I4 D25 I272 A273 W274 Q278 Q279I4-K276 HydrophobicContact CD1-CB 4.36Å; I4-K276 HydrophobicContact CD1-CG 3.46Å; I4-K276 VanDerWaalsContact CD1-CG 3.46Å; D25-K276 PolarHBondContact O-NZ 2.93Å; D25-K276 IonicContact OD2-NZ 2.73Å; D25-K276 PolarHBondContact OD2-NZ 3.47Å; I272-K276 HydrophobicContact CG2-CD 4.34Å; I272-K276 WeakPolarHBondContact O-CG 3.4Å; I272-K276 PolarHBondContact O-N 3.47Å; A273-K276 PolarHBondContact O-N 3.15Å; W274-K276 VanDerWaalsContact C-N 3.33Å; W274-K276 PolarHBondContact O-N 3.14Å; K276-Q278 PolarHBondContact O-N 2.81Å; K276-Q279 WeakPolarHBondContact O-CB 3.17Å; K276-Q279 WeakPolarHBondContact O-CG 3.37Å; K276-Q279 PolarHBondContact O-N 3.11Å; K276-Q279 PolarHBondContact O-OE1 3.29Å
277A98.5Very high94.9Very high31 Ų3163.7 Ų63.726%0.25637%0.367SS..Hα-helixtrans-64-39.1178.600000112.6A273 W274 L275 Q279 T280 E281A273-A277 PolarHBondContact O-N 2.7Å; W274-A277 WeakPolarHBondContact O-CB 3.3Å; W274-A277 PolarHBondContact O-N 2.95Å; L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 3.08Å; A277-Q279 PolarHBondContact O-N 2.97Å; A277-T280 PolarHBondContact O-N 3.33Å; A277-T280 VanDerWaalsContact O-N 3.13Å; A277-E281 HydrophobicContact CB-CG 4.47Å; A277-E281 WeakPolarHBondContact O-CG 2.95Å; A277-E281 PolarHBondContact O-N 3.15Å; A277-E281 VanDerWaalsContact O-N 3.12Å
278Q98.4Very high94.7Very high3 Ų365 Ų651%0.01438%0.375CS..Hα-helixtrans-61.7-18.2-178.1-60.3-42.5-68.300113.9R245 M248 Q249 W274 L275 K276 T280 E281R245-Q278 HydrophobicContact CG-CB 4.36Å; R245-Q278 HydrophobicContact CG-CG 3.86Å; R245-Q278 VanDerWaalsContact NE-OE1 3.15Å; M248-Q278 HydrophobicContact CB-CB 3.96Å; M248-Q278 HydrophobicContact CG-CB 4.33Å; Q249-Q278 WeakPolarHBondContact CG-O 3.26Å; W274-Q278 HydrophobicContact CD2-CG 3.92Å; W274-Q278 HydrophobicContact CE3-CG 4.1Å; W274-Q278 HydrophobicContact CH2-CG 3.87Å; W274-Q278 HydrophobicContact CZ2-CG 3.66Å; W274-Q278 HydrophobicContact CZ3-CG 4.08Å; W274-Q278 WeakPolarHBondContact O-CG 3.27Å; W274-Q278 PolarHBondContact O-N 3.07Å; W274-Q278 PolarHBondContact O-NE2 2.71Å; L275-Q278 PolarHBondContact O-N 3.04Å; K276-Q278 PolarHBondContact O-N 2.81Å; Q278-T280 PolarHBondContact O-N 3.1Å; Q278-E281 PolarHBondContact NE2-OE2 3.36Å
279Q98.2Very high94.5Very high70 Ų7067.1 Ų67.133%0.32739%0.391SS..THydrogen-bonded Turntrans-62.8-27.4176.6-59.1-175.9-9000113.5K2 M248 K276 A277K2-Q279 HydrophobicContact CD-CG 4.49Å; M248-Q279 HydrophobicContact CB-CG 4.13Å; M248-Q279 HydrophobicContact CE-CG 3.57Å; K276-Q279 WeakPolarHBondContact O-CB 3.17Å; K276-Q279 WeakPolarHBondContact O-CG 3.37Å; K276-Q279 PolarHBondContact O-N 3.11Å; K276-Q279 PolarHBondContact O-OE1 3.29Å; A277-Q279 PolarHBondContact O-N 2.97Å
280T95.7Very high94.2Very high131 Ų13168.5 Ų68.580%0.80439%0.392SS*.THydrogen-bonded Turntrans-130.9-3.7-174.756.50000114A277 Q278A277-T280 PolarHBondContact O-N 3.33Å; A277-T280 VanDerWaalsContact O-N 3.13Å; Q278-T280 PolarHBondContact O-N 3.1Å
281E93.7Very high93.9Very high109 Ų10963.7 Ų63.751%0.50938%0.375SS..SBendtrans-70.9-173172.6-81-169.317800112A277 Q278 A283A277-E281 HydrophobicContact CB-CG 4.47Å; A277-E281 WeakPolarHBondContact O-CG 2.95Å; A277-E281 PolarHBondContact O-N 3.15Å; A277-E281 VanDerWaalsContact O-N 3.12Å; Q278-E281 PolarHBondContact NE2-OE2 3.36Å; E281-A283 PolarHBondContact O-N 3.43Å; E281-A283 VanDerWaalsContact O-N 3.1Å
282K88.6Confident93.5Very high176 Ų17667.3 Ų67.377%0.76540%0.397SS*.SBendtrans-55.3119.6-174.8-175.6-178178.6-174.70110.9R245 Q249 V284R245-K282 PolarHBondContact NH2-O 3.14Å; Q249-K282 PolarHBondContact OE1-O 2.99Å; K282-V284 PolarHBondContact O-N 2.99Å
283A86.4Confident93.1Very high74 Ų7472.4 Ų72.461%0.61243%0.427SS*.PPolyproline II helixtrans-52.1125.4177.800000112.2Q249 E281Q249-A283 VanDerWaalsContact OE1-CA 3.29Å; E281-A283 PolarHBondContact O-N 3.43Å; E281-A283 VanDerWaalsContact O-N 3.1Å
284V82.8Confident92.6Very high23 Ų2373.9 Ų73.914%0.13943%0.426CS..PPolyproline II helixtrans-67.8154.7158.6-62.10000111.3P193 R245 W246 Q249 K282P193-V284 HydrophobicContact CG-CB 4.18Å; R245-V284 HydrophobicContact CB-CG1 3.71Å; W246-V284 HydrophobicContact CB-CG2 3.94Å; W246-V284 HydrophobicContact CG-CG2 4.41Å; Q249-V284 VanDerWaalsContact NE2-CG2 3.28Å; Q249-V284 VanDerWaalsContact NE2-N 3.14Å; K282-V284 PolarHBondContact O-N 2.99Å
285A73.1Confident92.1Very high141 Ų14173.3 Ų73.3100%1.16544%0.436SS*.  trans-66.90-17600000113.5P193P193-A285 WeakPolarHBondContact CB-O 3.46Å

Retrieved 285 of 285 residues in 62.7 ms (Link to these results)

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