A0A077ZJK0_TRITR Loading...

PfkB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 386 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
1M88.4Confident85.5Confident16 Ų16106.2 Ų106.28%0.07950%0.503CS..  0137.90-157.816340.900112.8F13 V15 A106 D108 T369 A370 Y373M1-F13 HydrophobicContact CE-CZ 4.15Å; M1-V15 PolarHBondContact N-O 2.95Å; M1-V15 VanDerWaalsContact N-O 3.16Å; M1-V15 WeakPolarHBondContact O-CA 3.44Å; M1-V15 VanDerWaalsContact O-O 3.13Å; M1-A106 HydrophobicContact CG-CB 4.05Å; M1-A106 HydrophobicContact SD-CB 4.46Å; M1-D108 WeakPolarHBondContact CA-OD2 3.33Å; M1-D108 HydrophobicContact CB-CB 4.3Å; M1-D108 WeakPolarHBondContact CB-OD2 3.47Å; M1-D108 HydrophobicContact CG-CB 4.03Å; M1-D108 PolarHBondContact N-OD2 3.26Å; M1-T369 HydrophobicContact CE-CG2 4.28Å; M1-T369 HydrophobicContact SD-CG2 3.77Å; M1-A370 HydrophobicContact CE-CB 4.09Å; M1-Y373 HydrophobicContact CE-CD1 3.73Å; M1-Y373 HydrophobicContact CE-CD2 4.25Å; M1-Y373 HydrophobicContact CE-CG 3.46Å; M1-Y373 VanDerWaalsContact CE-CG 3.46Å
2K91.3Very high85.3Confident93 Ų93108.8 Ų108.840%0.40451%0.506SS..  trans-71.7157.7168.2-73.4174.9-177.4165.10111.9A106 D107 H366K2-A106 PolarHBondContact N-O 2.98Å; K2-D107 HydrophobicContact CD-CB 3.73Å; K2-D107 HydrophobicContact CG-CB 3.99Å; K2-D107 IonicContact NZ-OD2 2.78Å; K2-H366 PolarHBondContact O-NE2 3.38Å
3F91Very high85.2Confident49 Ų49102.2 Ų102.222%0.21548%0.475CS..  trans-65.7138.6171.7-176.6-94.2000111.1G5 R7 F13 H366F3-G5 PolarHBondContact O-N 3.22Å; F3-G5 VanDerWaalsContact O-N 3.15Å; F3-R7 HydrophobicContact CE1-CG 3.88Å; F3-R7 HydrophobicContact CZ-CG 4.22Å; F3-F13 HydrophobicContact CB-CD1 4.18Å; F3-F13 HydrophobicContact CD2-CB 3.58Å; F3-F13 HydrophobicContact CD2-CD1 4.05Å; F3-F13 AromaticContact CD2-CD2 3.9Å; F3-F13 HydrophobicContact CD2-CD2 3.9Å; F3-F13 AromaticContact CD2-CG 3.58Å; F3-F13 HydrophobicContact CD2-CG 3.58Å; F3-F13 HydrophobicContact CE2-CB 4.17Å; F3-F13 HydrophobicContact CE2-CD2 4.32Å; F3-F13 HydrophobicContact CE2-CG 4.34Å; F3-H366 PolarHBondContact O-CE1 2.91Å
4P91.2Very high84.9Confident9 Ų995.1 Ų95.16%0.05844%0.443CS..SBendtrans-72105.4178.230-36.2000111.8R7 H366 D367 A370P4-R7 PolarHBondContact O-NH1 3Å; P4-H366 VanDerWaalsContact CA-CE1 3.43Å; P4-H366 WeakPolarHBondContact CA-CE1 3.18Å; P4-D367 HydrophobicContact CB-CB 4.08Å; P4-D367 HydrophobicContact CG-CB 4.4Å; P4-D367 VanDerWaalsContact CG-OD1 3.28Å; P4-D367 WeakPolarHBondContact CG-OD1 3.45Å; P4-A370 HydrophobicContact CB-CB 4.36Å; P4-A370 HydrophobicContact CG-CB 3.6Å
5G90.7Very high84.6Confident54 Ų5493.9 Ų93.956%0.55744%0.444SS*.SBendtrans88.9-163.4-179.400000114.3F3F3-G5 PolarHBondContact O-N 3.22Å; F3-G5 VanDerWaalsContact O-N 3.15Å
6K87.8Confident84.2Confident220 Ų22093.5 Ų93.596%0.95745%0.446SS*.SBendtrans-124.313.3-174-61.4-178.7-178.8175.90114.1
7R87Confident83.5Confident148 Ų14890.4 Ų90.456%0.55844%0.439SS*.PPolyproline II helixtrans-72151.1-178.767.5-178.4-176-78.16.8111.6F3 P4 S9 D367F3-R7 HydrophobicContact CE1-CG 3.88Å; F3-R7 HydrophobicContact CZ-CG 4.22Å; P4-R7 PolarHBondContact O-NH1 3Å; R7-S9 PolarHBondContact O-N 3.33Å; R7-D367 IonicContact NH2-OD1 3.7Å
8K76.4Confident82.8Confident212 Ų21296.7 Ų96.792%0.92246%0.458SS*.PPolyproline II helixtrans-67.8121.3168.8-67.6-178.4-1801780108.9
9S80.7Confident82.3Confident61 Ų6192.5 Ų92.543%0.42744%0.439SS..PPolyproline II helixtrans-92.9139.3178.561.90000111.3R7 H11R7-S9 PolarHBondContact O-N 3.33Å; S9-H11 VanDerWaalsContact C-N 3.28Å; S9-H11 VanDerWaalsContact CB-O 3.31Å; S9-H11 WeakPolarHBondContact CB-O 3.48Å; S9-H11 PolarHBondContact OG-O 2.91Å
10K75.7Confident81.8Confident199 Ų19992.6 Ų92.687%0.86545%0.447SS*.SBendtrans-68.7-31.4170.1180175.3177177.80111.8
11H80.4Confident81.4Confident107 Ų10793.3 Ų93.350%0.49545%0.453SS..SBendtrans-106.1143.2-179.3-59.2100.5000110.5S9 R378S9-H11 VanDerWaalsContact C-N 3.28Å; S9-H11 VanDerWaalsContact CB-O 3.31Å; S9-H11 WeakPolarHBondContact CB-O 3.48Å; S9-H11 PolarHBondContact OG-O 2.91Å; H11-R378 PolarHBondContact CD2-NH2 2.94Å; H11-R378 VanDerWaalsContact CD2-NH2 3.35Å
12Y83.6Confident80.5Confident137 Ų13793.3 Ų93.354%0.53745%0.453SS..  trans-63.8138.3171.3-172.2-107.4000110.9P14 D19 H374Y12-P14 HydrophobicContact CE1-CB 4.29Å; Y12-D19 WeakPolarHBondContact CE1-OD2 3.33Å; Y12-D19 PolarHBondContact OH-OD2 3.01Å; Y12-H374 PolarHBondContact O-NE2 3.36Å
13F83.7Confident79.3Confident23 Ų2394.5 Ų94.510%0.10146%0.46CS..  trans-123.6113.2176.5-168.4-87.1000108.6M1 F3 V15 A370 Y373 H374M1-F13 HydrophobicContact CE-CZ 4.15Å; F3-F13 HydrophobicContact CB-CD1 4.18Å; F3-F13 HydrophobicContact CD2-CB 3.58Å; F3-F13 HydrophobicContact CD2-CD1 4.05Å; F3-F13 AromaticContact CD2-CD2 3.9Å; F3-F13 HydrophobicContact CD2-CD2 3.9Å; F3-F13 AromaticContact CD2-CG 3.58Å; F3-F13 HydrophobicContact CD2-CG 3.58Å; F3-F13 HydrophobicContact CE2-CB 4.17Å; F3-F13 HydrophobicContact CE2-CD2 4.32Å; F3-F13 HydrophobicContact CE2-CG 4.34Å; F13-V15 PolarHBondContact O-N 3.38Å; F13-A370 HydrophobicContact CE2-CB 3.99Å; F13-A370 HydrophobicContact CZ-CB 3.89Å; F13-Y373 HydrophobicContact CE1-CD1 4.1Å; F13-Y373 HydrophobicContact CE1-CE1 4.11Å; F13-Y373 HydrophobicContact CE2-CD1 4.46Å; F13-Y373 AromaticContact CZ-CD1 3.74Å; F13-Y373 HydrophobicContact CZ-CD1 3.74Å; F13-Y373 HydrophobicContact CZ-CE1 4.21Å; F13-H374 HydrophobicContact CD2-CB 4.39Å; F13-H374 AromaticContact CD2-CD2 3.45Å; F13-H374 VanDerWaalsContact CD2-CD2 3.45Å; F13-H374 WeakPolarHBondContact CD2-CD2 3.44Å; F13-H374 HydrophobicContact CE2-CB 3.96Å; F13-H374 AromaticContact CE2-CD2 3.85Å
14P81Confident78.1Confident4 Ų499.6 Ų99.63%0.02648%0.484CS..  trans-69.5134.3176.928.3-32.3000110.8Y12 L22 Y373Y12-P14 HydrophobicContact CE1-CB 4.29Å; P14-L22 HydrophobicContact CB-CD1 3.19Å; P14-L22 HydrophobicContact CB-CG 4.49Å; P14-L22 HydrophobicContact CG-CD1 3.57Å; P14-L22 HydrophobicContact CG-CD2 4.25Å; P14-Y373 HydrophobicContact CG-CE1 4.15Å; P14-Y373 VanDerWaalsContact O-CE1 3.25Å; P14-Y373 WeakPolarHBondContact O-CE1 3.35Å
15V80.2Confident76.8Confident76 Ų76103.1 Ų103.146%0.46150%0.499SS..SBendtrans-86.9-29.6178.6-179.90000110.9M1 F13M1-V15 PolarHBondContact N-O 2.95Å; M1-V15 VanDerWaalsContact N-O 3.16Å; M1-V15 WeakPolarHBondContact O-CA 3.44Å; M1-V15 VanDerWaalsContact O-O 3.13Å; F13-V15 PolarHBondContact O-N 3.38Å
16N78.8Confident75.3Confident88 Ų88102.2 Ų102.247%0.47148%0.48SS..SBendtrans-141.9157.3175.863.455.3000110.2R18 D19N16-R18 PolarHBondContact O-N 2.8Å; N16-R18 WeakPolarHBondContact OD1-CA 3.5Å; N16-R18 WeakPolarHBondContact OD1-CB 3.39Å; N16-R18 PolarHBondContact OD1-N 3.41Å; N16-D19 PolarHBondContact O-N 3.26Å; N16-D19 PolarHBondContact OD1-N 2.76Å
17A71.3Confident74.1Confident41 Ų4194.8 Ų94.834%0.33946%0.455SS..THydrogen-bonded Turntrans-69.8-10.3177.600000113.3D19 Q26A17-D19 PolarHBondContact O-N 3.29Å; A17-Q26 PolarHBondContact O-OE1 3.15Å
18R71.2Confident72.6Confident204 Ų20497.2 Ų97.277%0.7747%0.472SS*.THydrogen-bonded Turntrans-83.67.3177.8-59.9-176.7-178.9178.30.3113N16N16-R18 PolarHBondContact O-N 2.8Å; N16-R18 WeakPolarHBondContact OD1-CA 3.5Å; N16-R18 WeakPolarHBondContact OD1-CB 3.39Å; N16-R18 PolarHBondContact OD1-N 3.41Å
19D73.2Confident71.5Confident17 Ų1794.4 Ų94.49%0.09147%0.467CS..  trans-59.4124.6173.9-167.7-51000110.1Y12 N16 A17 L21 L22 Q23Y12-D19 WeakPolarHBondContact CE1-OD2 3.33Å; Y12-D19 PolarHBondContact OH-OD2 3.01Å; N16-D19 PolarHBondContact O-N 3.26Å; N16-D19 PolarHBondContact OD1-N 2.76Å; A17-D19 PolarHBondContact O-N 3.29Å; D19-L21 PolarHBondContact O-N 2.97Å; D19-L21 VanDerWaalsContact O-N 3.09Å; D19-L21 WeakPolarHBondContact OD1-CB 3.14Å; D19-L21 PolarHBondContact OD1-N 2.95Å; D19-L22 HydrophobicContact CB-CB 4.34Å; D19-L22 HydrophobicContact CB-CD1 3.76Å; D19-L22 PolarHBondContact O-N 3.17Å; D19-Q23 PolarHBondContact O-N 3.12Å
20P72.8Confident70.3Confident93 Ų9395.9 Ų95.960%0.60447%0.467SS*.Hα-helixtrans-54.4-32.4-178.5-26.634.4000113.5
21L73.4Confident69.4Low109 Ų10992.8 Ų92.857%0.57147%0.466SS*.Hα-helixtrans-70.5-32.5177.9-65.8173.7000111.6D19 F25D19-L21 PolarHBondContact O-N 2.97Å; D19-L21 VanDerWaalsContact O-N 3.09Å; D19-L21 WeakPolarHBondContact OD1-CB 3.14Å; D19-L21 PolarHBondContact OD1-N 2.95Å; L21-F25 WeakPolarHBondContact O-CD2 3.33Å; L21-F25 WeakPolarHBondContact O-CE2 3.43Å
22L69Low68.7Low16 Ų1688.6 Ų88.68%0.08445%0.448CS..Hα-helixtrans-86.8-30.2177.6-82114.5000114.1P14 D19 Q24 F25 Q26 N377P14-L22 HydrophobicContact CB-CD1 3.19Å; P14-L22 HydrophobicContact CB-CG 4.49Å; P14-L22 HydrophobicContact CG-CD1 3.57Å; P14-L22 HydrophobicContact CG-CD2 4.25Å; D19-L22 HydrophobicContact CB-CB 4.34Å; D19-L22 HydrophobicContact CB-CD1 3.76Å; D19-L22 PolarHBondContact O-N 3.17Å; L22-Q24 PolarHBondContact O-N 3.46Å; L22-Q24 VanDerWaalsContact O-N 3.15Å; L22-F25 CarbonylContact O-C 3.57Å; L22-F25 PolarHBondContact O-N 3.42Å; L22-Q26 HydrophobicContact CB-CG 4.44Å; L22-Q26 PolarHBondContact O-N 3.45Å; L22-N377 HydrophobicContact CD2-CB 3.8Å
23Q66.3Low68.7Low118 Ų11885 Ų8555%0.55145%0.446SS*.Hα-helixtrans-57.7-29.8177.7-76.5-176.4-17.300112.3D19 F25D19-Q23 PolarHBondContact O-N 3.12Å; Q23-F25 VanDerWaalsContact C-N 3.28Å; Q23-F25 PolarHBondContact O-N 2.94Å
24Q65.2Low69.1Low156 Ų15684.2 Ų84.273%0.72945%0.445SS*.THydrogen-bonded Turntrans-72.1-19.4174.8-65.6-173.80.100113.7L22L22-Q24 PolarHBondContact O-N 3.46Å; L22-Q24 VanDerWaalsContact O-N 3.15Å
25F63.9Low69.9Low82 Ų8286.4 Ų86.436%0.3645%0.452SS..THydrogen-bonded Turntrans-114.6-12.6-175.5-59.2-67.3000114.1L21 L22 Q23 C380 V381L21-F25 WeakPolarHBondContact O-CD2 3.33Å; L21-F25 WeakPolarHBondContact O-CE2 3.43Å; L22-F25 CarbonylContact O-C 3.57Å; L22-F25 PolarHBondContact O-N 3.42Å; Q23-F25 VanDerWaalsContact C-N 3.28Å; Q23-F25 PolarHBondContact O-N 2.94Å; F25-C380 WeakPolarHBondContact O-CB 3.43Å; F25-V381 HydrophobicContact CB-CG2 3.94Å; F25-V381 HydrophobicContact CD1-CG1 4.37Å; F25-V381 HydrophobicContact CD2-CG2 4.27Å; F25-V381 HydrophobicContact CG-CG1 4.41Å; F25-V381 HydrophobicContact CG-CG2 4.11Å
26Q60.4Low70.7Confident35 Ų3582.8 Ų82.816%0.16443%0.43CS..SBendtrans-87.1126.5179.3-78.1-175.6-1500110.7A17 L22 N377 C380A17-Q26 PolarHBondContact O-OE1 3.15Å; L22-Q26 HydrophobicContact CB-CG 4.44Å; L22-Q26 PolarHBondContact O-N 3.45Å; Q26-N377 PolarHBondContact NE2-OD1 2.85Å; Q26-C380 HydrophobicContact CG-CB 4.47Å
27P62.1Low71.7Confident65 Ų6578.6 Ų78.642%0.42241%0.408SS..  trans-62.9145.1168.426.8-31.9000109.8N29 E30P27-N29 PolarHBondContact O-N 2.88Å; P27-E30 HydrophobicContact CG-CB 4.06Å; P27-E30 HydrophobicContact CG-CG 3.73Å; P27-E30 WeakPolarHBondContact CG-OE2 3.46Å; P27-E30 PolarHBondContact O-N 3.18Å
28E56.4Low73Confident199 Ų19976.7 Ų76.793%0.9339%0.392SS*.THydrogen-bonded Turntrans-54.1-17.6-170.8-70.4-169.515800115.2
29N52.9Low74.3Confident153 Ų15367 Ų6782%0.81836%0.355SS*.THydrogen-bonded Turntrans-115.17-170.7-68.5-27.3000115.5P27P27-N29 PolarHBondContact O-N 2.88Å
30E55.6Low75.5Confident91 Ų9166.2 Ų66.243%0.42535%0.351SS..  trans-93.2107-178.7-81.2-172.9168.800113.4P27 S32 C380P27-E30 HydrophobicContact CG-CB 4.06Å; P27-E30 HydrophobicContact CG-CG 3.73Å; P27-E30 WeakPolarHBondContact CG-OE2 3.46Å; P27-E30 PolarHBondContact O-N 3.18Å; E30-S32 PolarHBondContact O-N 2.92Å; E30-S32 VanDerWaalsContact O-N 3.1Å; E30-C380 PolarHBondContact OE2-SG 3.34Å
31T57.2Low76.7Confident135 Ų13562 Ų6283%0.82832%0.323SS*.  trans-74.795.5167.226.40000109.5A33T31-A33 PolarHBondContact O-N 3.47Å
32S64Low77.9Confident19 Ų1956.8 Ų56.813%0.13330%0.296CS..  trans-74.360.4171.4-70.50000111.7E30 Y373 N377E30-S32 PolarHBondContact O-N 2.92Å; E30-S32 VanDerWaalsContact O-N 3.1Å; S32-Y373 WeakPolarHBondContact O-CD2 3.43Å; S32-Y373 VanDerWaalsContact O-CE2 3.29Å; S32-Y373 WeakPolarHBondContact O-CE2 3.4Å; S32-N377 VanDerWaalsContact CB-OD1 3.24Å; S32-N377 WeakPolarHBondContact CB-OD1 3.31Å; S32-N377 PolarHBondContact OG-OD1 2.86Å
33A83.5Confident79.2Confident60 Ų6056.6 Ų56.650%0.49630%0.295SS..  trans-96.2132.1175.500000109.8T31 W35T31-A33 PolarHBondContact O-N 3.47Å; A33-W35 HydrophobicContact CB-CE3 4.14Å; A33-W35 HydrophobicContact CB-CZ3 3.98Å
34A92.5Very high80.7Confident8 Ų851 Ų517%0.06627%0.269CS..  trans-131131.9169.900000107.4T369A34-T369 HydrophobicContact CB-CG2 3.68Å
35W97.3Very high82.2Confident50 Ų5044.9 Ų44.919%0.18924%0.242CC..EExtended strand (participates in β ladder)trans-135.9171-179.560.885000111.2A33 R109 V183 S188A33-W35 HydrophobicContact CB-CE3 4.14Å; A33-W35 HydrophobicContact CB-CZ3 3.98Å; W35-R109 HydrophobicContact CB-CB 4.49Å; W35-R109 VanDerWaalsContact CB-O 3.23Å; W35-R109 WeakPolarHBondContact CB-O 3.3Å; W35-V183 PolarHBondContact NE1-O 2.75Å; W35-S188 PolarHBondContact O-N 3.27Å; W35-S188 PolarHBondContact O-OG 2.95Å
36V98.2Very high83.7Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-116.8144.5173.3-179.50000108.2M99 Y102 S110 V111 A189 V191 L365 T369V36-M99 HydrophobicContact CB-SD 4.5Å; V36-M99 HydrophobicContact CG1-CE 3.82Å; V36-M99 HydrophobicContact CG1-SD 3.98Å; V36-Y102 HydrophobicContact CB-CE1 4.37Å; V36-Y102 HydrophobicContact CB-CE2 4.47Å; V36-Y102 HydrophobicContact CG2-CD2 4.13Å; V36-Y102 HydrophobicContact CG2-CE1 4.24Å; V36-Y102 HydrophobicContact CG2-CE2 3.61Å; V36-S110 CarbonylContact O-C 3.55Å; V36-S110 WeakPolarHBondContact O-CA 3.27Å; V36-V111 PolarHBondContact O-N 3.1Å; V36-A189 HydrophobicContact CG1-CB 4.35Å; V36-V191 HydrophobicContact CG1-CG2 3.52Å; V36-L365 HydrophobicContact CG1-CD1 4.45Å; V36-L365 HydrophobicContact CG1-CD2 4.37Å; V36-T369 WeakPolarHBondContact CG2-OG1 3.28Å
37V98.7Very high85.4Confident0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-118.5137.8176.8-176.30000108.3V111 L113 V183 I184 A187 A189 L190 V191V37-V111 WeakPolarHBondContact CA-O 3.35Å; V37-V111 HydrophobicContact CG1-CB 4.47Å; V37-V111 HydrophobicContact CG2-CB 4.24Å; V37-L113 HydrophobicContact CG1-CD1 3.88Å; V37-L113 HydrophobicContact CG1-CG 3.98Å; V37-V183 HydrophobicContact CG1-CG1 4.18Å; V37-V183 HydrophobicContact CG2-CG1 3.53Å; V37-I184 HydrophobicContact CG1-CG1 4.42Å; V37-A187 HydrophobicContact CB-CB 4.29Å; V37-A187 HydrophobicContact CG2-CB 3.59Å; V37-A189 PolarHBondContact N-O 2.95Å; V37-A189 VanDerWaalsContact N-O 3.11Å; V37-L190 HydrophobicContact CB-CD1 4.47Å; V37-L190 HydrophobicContact CG1-CD1 4.29Å; V37-L190 CarbonylContact O-C 3.48Å; V37-L190 WeakPolarHBondContact O-CA 3.45Å; V37-V191 PolarHBondContact O-N 3.18Å
38G98.7Very high87.1Confident0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-131.2150.7174.700000112V111 L113 V191G38-V111 PolarHBondContact N-O 3.38Å; G38-L113 PolarHBondContact O-N 2.69Å; G38-V191 CarbonylContact C-O 3.58Å; G38-V191 WeakPolarHBondContact CA-O 3.5Å
39I98.8Very high88.9Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-110.1128.5169.8-52.5-176.7000108I95 L113 L174 I179 L190 V191 L192 L196 M205 A212I39-I95 WeakPolarHBondContact O-CB 3.47Å; I39-I95 WeakPolarHBondContact O-CG1 3.49Å; I39-I95 WeakPolarHBondContact O-CG2 3.31Å; I39-L113 WeakPolarHBondContact CA-O 3.38Å; I39-L113 HydrophobicContact CG1-CB 4.12Å; I39-L113 HydrophobicContact CG1-CD1 4.16Å; I39-L174 HydrophobicContact CG2-CD2 3.76Å; I39-I179 HydrophobicContact CD1-CD1 4.39Å; I39-L190 HydrophobicContact CD1-CD1 4.47Å; I39-L190 HydrophobicContact CG1-CD1 4.23Å; I39-V191 PolarHBondContact N-O 2.87Å; I39-L192 HydrophobicContact CB-CD2 3.85Å; I39-L192 HydrophobicContact CD1-CD2 3.76Å; I39-L192 HydrophobicContact CG1-CD2 3.78Å; I39-L196 HydrophobicContact CB-CD1 3.96Å; I39-L196 HydrophobicContact CG2-CD1 4.03Å; I39-L196 HydrophobicContact CG2-CD2 4.1Å; I39-M205 HydrophobicContact CG2-SD 4Å; I39-A212 HydrophobicContact CD1-CB 3.44Å; I39-A212 VanDerWaalsContact CD1-CB 3.44Å
40D98.5Very high91Very high2 Ų228.8 Ų28.81%0.01116%0.156CC..  trans-133.3160.2174.1-150.49.7000113.2T42 G93 T94 I95 G96 L112 L113D40-T42 PolarHBondContact O-N 3.44Å; D40-G93 WeakPolarHBondContact OD2-CA 3.4Å; D40-T94 PolarHBondContact OD2-N 2.89Å; D40-I95 HydrophobicContact CB-CB 3.74Å; D40-I95 HydrophobicContact CB-CG2 4.29Å; D40-I95 PolarHBondContact OD2-N 2.91Å; D40-I95 VanDerWaalsContact OD2-N 3.17Å; D40-G96 PolarHBondContact OD2-N 3.48Å; D40-L112 HydrophobicContact CB-CD1 3.97Å; D40-L113 PolarHBondContact N-O 3.28Å
41Q98.4Very high92.8Very high3 Ų327.5 Ų27.51%0.01415%0.151CC..  trans-76.8108.3158.2-75.1164.4-17.900107.7L43 M171 N172 Y195 L196 R198 M205Q41-L43 HydrophobicContact CB-CD1 4.17Å; Q41-L43 HydrophobicContact CB-CG 4.45Å; Q41-L43 WeakPolarHBondContact O-CD1 3.35Å; Q41-L43 VanDerWaalsContact O-CG 3.24Å; Q41-L43 WeakPolarHBondContact O-CG 3.32Å; Q41-L43 PolarHBondContact O-N 2.93Å; Q41-M171 HydrophobicContact CB-CB 4.09Å; Q41-M171 HydrophobicContact CB-CE 4.36Å; Q41-M171 HydrophobicContact CB-CG 3.97Å; Q41-M171 HydrophobicContact CB-SD 3.76Å; Q41-M171 HydrophobicContact CG-CB 4.47Å; Q41-M171 HydrophobicContact CG-CE 4.14Å; Q41-M171 HydrophobicContact CG-CG 4Å; Q41-M171 HydrophobicContact CG-SD 4.09Å; Q41-N172 WeakPolarHBondContact CG-OD1 3.42Å; Q41-N172 PolarHBondContact NE2-OD1 3.46Å; Q41-Y195 PolarHBondContact NE2-O 2.97Å; Q41-L196 HydrophobicContact CG-CD2 4.32Å; Q41-R198 PolarHBondContact NE2-O 2.89Å; Q41-M205 HydrophobicContact CG-CE 4.42Å
42T98.1Very high94.6Very high0 Ų025.9 Ų25.90%014%0.138CC..  trans-60.9111.5-177.9-52.90000110.4D40 V115 M116 Y129 I149 G150D40-T42 PolarHBondContact O-N 3.44Å; T42-V115 VanDerWaalsContact CB-O 3.29Å; T42-V115 WeakPolarHBondContact CB-O 3.2Å; T42-V115 WeakPolarHBondContact CG2-O 3.48Å; T42-V115 PolarHBondContact OG1-N 2.66Å; T42-V115 VanDerWaalsContact OG1-N 3.1Å; T42-V115 PolarHBondContact OG1-O 3.14Å; T42-M116 HydrophobicContact CG2-CE 3.88Å; T42-Y129 HydrophobicContact CG2-CD1 4.15Å; T42-Y129 HydrophobicContact CG2-CD2 4.09Å; T42-Y129 HydrophobicContact CG2-CE1 3.91Å; T42-Y129 HydrophobicContact CG2-CE2 3.86Å; T42-Y129 HydrophobicContact CG2-CG 4.23Å; T42-I149 HydrophobicContact CG2-CB 4.16Å; T42-I149 HydrophobicContact CG2-CD1 4.17Å; T42-I149 HydrophobicContact CG2-CG2 3.95Å; T42-G150 WeakPolarHBondContact O-CA 3.23Å; T42-G150 PolarHBondContact O-N 3.01Å
43L97.4Very high96Very high13 Ų1330.6 Ų30.67%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-128.1142.6-169.7-79.2160.4000112.1Q41 G92 Y129 G150 C152 I166 M171Q41-L43 HydrophobicContact CB-CD1 4.17Å; Q41-L43 HydrophobicContact CB-CG 4.45Å; Q41-L43 WeakPolarHBondContact O-CD1 3.35Å; Q41-L43 VanDerWaalsContact O-CG 3.24Å; Q41-L43 WeakPolarHBondContact O-CG 3.32Å; Q41-L43 PolarHBondContact O-N 2.93Å; L43-G92 CarbonylContact O-C 3.52Å; L43-G92 PolarHBondContact O-N 3.04Å; L43-Y129 VanDerWaalsContact O-CD2 3.23Å; L43-Y129 WeakPolarHBondContact O-CD2 3.27Å; L43-Y129 WeakPolarHBondContact O-CE2 3.32Å; L43-G150 WeakPolarHBondContact CA-O 3.29Å; L43-C152 HydrophobicContact CD2-CB 4.24Å; L43-I166 HydrophobicContact CD2-CG2 4.14Å; L43-M171 HydrophobicContact CD2-SD 3.89Å; L43-M171 HydrophobicContact CG-SD 4.25Å
44V96.9Very high96.7Very high0 Ų027.9 Ų27.90%014%0.135CC..EExtended strand (participates in β ladder)trans-108.6127.1164.4172.20000109.6I46 F90 Y125 Y129 I149 G150 C152V44-I46 HydrophobicContact CG1-CG1 4.47Å; V44-F90 WeakPolarHBondContact CG1-O 3.45Å; V44-Y125 HydrophobicContact CB-CD1 4.2Å; V44-Y125 HydrophobicContact CG1-CD1 3.64Å; V44-Y125 HydrophobicContact CG1-CE1 4.1Å; V44-Y125 HydrophobicContact CG2-CD1 4.47Å; V44-Y129 HydrophobicContact CG2-CD2 4.06Å; V44-I149 HydrophobicContact CG2-CD1 3.68Å; V44-G150 PolarHBondContact N-O 2.69Å; V44-C152 PolarHBondContact O-N 3.17Å
45D96.4Very high96.8Very high28 Ų2828 Ų2815%0.1513%0.134CC..EExtended strand (participates in β ladder)trans-81.7130.4174.7-69.1-10.8000109.7Q89 F90 G92 C152D45-Q89 VanDerWaalsContact O-CA 3.27Å; D45-Q89 WeakPolarHBondContact O-CA 3.49Å; D45-F90 PolarHBondContact N-O 3.32Å; D45-F90 PolarHBondContact O-N 3.43Å; D45-G92 WeakPolarHBondContact OD2-CA 3.35Å; D45-C152 CarbonylContact C-O 3.26Å; D45-C152 WeakPolarHBondContact CA-O 3.49Å; D45-C152 VanDerWaalsContact OD1-CB 3.31Å; D45-C152 WeakPolarHBondContact OD1-CB 3.39Å
46I96.6Very high96.6Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-120.499.4175-57.5169.5000106.1V44 I86 Q89 Y125 R151 C152 F153 T154V44-I46 HydrophobicContact CG1-CG1 4.47Å; I46-I86 HydrophobicContact CG2-CD1 4.08Å; I46-I86 HydrophobicContact CG2-CG1 4.15Å; I46-I86 HydrophobicContact CG2-CG2 3.95Å; I46-Q89 HydrophobicContact CG1-CG 4.46Å; I46-Q89 HydrophobicContact CG2-CG 4.44Å; I46-Y125 HydrophobicContact CD1-CE1 3.88Å; I46-Y125 HydrophobicContact CD1-CE2 4.36Å; I46-Y125 WeakPolarHBondContact CD1-OH 3.23Å; I46-Y125 HydrophobicContact CG1-CE1 4.09Å; I46-R151 HydrophobicContact CD1-CB 4.28Å; I46-R151 HydrophobicContact CD1-CG 4.46Å; I46-C152 PolarHBondContact N-O 2.92Å; I46-F153 HydrophobicContact CB-CD1 4Å; I46-F153 HydrophobicContact CB-CE1 4.41Å; I46-F153 HydrophobicContact CD1-CD1 4Å; I46-F153 HydrophobicContact CD1-CE1 3.58Å; I46-F153 HydrophobicContact CD1-CZ 4.24Å; I46-F153 HydrophobicContact CG2-CD1 4.11Å; I46-F153 HydrophobicContact CG2-CE1 4.42Å; I46-F153 WeakPolarHBondContact O-CA 3.38Å; I46-T154 PolarHBondContact O-N 2.89Å
47E95.9Very high96.5Very high47 Ų4738.5 Ų38.522%0.2218%0.18CC..EExtended strand (participates in β ladder)trans-90.1130.7-174.5-57.2-163.9176.100111.8T87 H88 T154E47-T87 PolarHBondContact O-N 3.37Å; E47-T87 PolarHBondContact O-OG1 2.99Å; E47-H88 HydrophobicContact CB-CB 4.27Å; E47-H88 HydrophobicContact CG-CB 4.39Å; E47-H88 PolarHBondContact N-O 2.91Å; E47-H88 PolarHBondContact O-N 3Å; E47-T154 WeakPolarHBondContact CA-O 3.49Å; E47-T154 HydrophobicContact CG-CG2 4.28Å
48A96.3Very high96.4Very high0 Ų039.9 Ų39.90%019%0.186CC..EExtended strand (participates in β ladder)trans-142.1145.8175.100000111.5V50 L80 L85 T154 L155 I156A48-V50 HydrophobicContact CB-CG1 4.31Å; A48-L80 HydrophobicContact CB-CD1 4.1Å; A48-L80 HydrophobicContact CB-CD2 3.58Å; A48-L80 HydrophobicContact CB-CG 4.45Å; A48-L85 WeakPolarHBondContact CA-O 3.41Å; A48-L85 HydrophobicContact CB-CB 4.32Å; A48-L85 WeakPolarHBondContact CB-O 3.16Å; A48-T154 PolarHBondContact N-O 3.36Å; A48-L155 HydrophobicContact CB-CD2 4.43Å; A48-L155 WeakPolarHBondContact O-CA 3.45Å; A48-I156 PolarHBondContact O-N 2.84Å
49K95.3Very high96.2Very high137 Ų13742.8 Ų42.860%0.59622%0.216SC*.EExtended strand (participates in β ladder)trans-88.8131.3166.9-69.8-174.3178.4-175.60109.1I156K49-I156 WeakPolarHBondContact CA-O 3.34Å; K49-I156 HydrophobicContact CG-CB 4.3Å
50V95.8Very high96.1Very high12 Ų1243.3 Ų43.37%0.07322%0.219CC..  trans-138.9161.1-175.2-58.60000111A48 F54 I55 L80 L155 I156A48-V50 HydrophobicContact CB-CG1 4.31Å; V50-F54 HydrophobicContact CB-CB 3.7Å; V50-F54 HydrophobicContact CB-CD1 4.03Å; V50-F54 HydrophobicContact CB-CD2 4.2Å; V50-F54 HydrophobicContact CB-CG 3.74Å; V50-F54 HydrophobicContact CG1-CB 4.37Å; V50-F54 HydrophobicContact CG1-CD1 3.89Å; V50-F54 HydrophobicContact CG1-CD2 3.99Å; V50-F54 HydrophobicContact CG1-CE1 4.15Å; V50-F54 HydrophobicContact CG1-CE2 4.27Å; V50-F54 HydrophobicContact CG1-CG 3.84Å; V50-F54 HydrophobicContact CG1-CZ 4.36Å; V50-F54 HydrophobicContact CG2-CB 4.06Å; V50-F54 HydrophobicContact CG2-CD1 4.13Å; V50-F54 HydrophobicContact CG2-CG 4.22Å; V50-I55 HydrophobicContact CG2-CD1 3.68Å; V50-I55 HydrophobicContact CG2-CG1 4.17Å; V50-L80 HydrophobicContact CG1-CD2 4Å; V50-L155 HydrophobicContact CG1-CD2 4.08Å; V50-L155 HydrophobicContact CG2-CB 3.84Å; V50-I156 PolarHBondContact N-O 3.34Å; V50-I156 VanDerWaalsContact N-O 3.07Å
51D95Very high95.7Very high63 Ų6346 Ų4634%0.33724%0.238SC..  trans-81.5163.2172.556.224.3000110.9E53 F54 I55D51-E53 WeakPolarHBondContact CB-OE2 3.38Å; D51-E53 PolarHBondContact O-N 3.35Å; D51-F54 VanDerWaalsContact O-CB 3.26Å; D51-F54 WeakPolarHBondContact O-CB 3.4Å; D51-F54 PolarHBondContact O-N 2.96Å; D51-F54 VanDerWaalsContact O-N 3.08Å; D51-F54 WeakPolarHBondContact OD1-CA 3.35Å; D51-F54 WeakPolarHBondContact OD1-CB 3.43Å; D51-F54 PolarHBondContact OD1-N 3.12Å; D51-I55 PolarHBondContact O-N 3.47Å
52D93.4Very high95.3Very high101 Ų10148.9 Ų48.954%0.5426%0.262SS..Hα-helixtrans-65-29.8-179.7-71.5-10.2000110.7F54 I55 E56D52-F54 VanDerWaalsContact C-N 3.28Å; D52-F54 PolarHBondContact O-N 2.71Å; D52-I55 WeakPolarHBondContact O-CB 3.24Å; D52-I55 PolarHBondContact O-N 3.43Å; D52-I55 VanDerWaalsContact O-N 3.14Å; D52-E56 PolarHBondContact O-N 3.04Å
53E95.1Very high94.7Very high119 Ų11949.9 Ų49.956%0.55627%0.272SS*.Hα-helixtrans-62.9-31.5173.1-63.984.6172.200112.6D51 R57D51-E53 WeakPolarHBondContact CB-OE2 3.38Å; D51-E53 PolarHBondContact O-N 3.35Å; E53-R57 WeakPolarHBondContact O-CB 3.42Å; E53-R57 PolarHBondContact O-N 3.27Å; E53-R57 PolarHBondContact O-NH1 3.13Å
54F96.2Very high94.4Very high2 Ų251.2 Ų51.21%0.00928%0.278CS..Hα-helixtrans-64.9-44.2172.3-164.7-74.2000110.9V50 D51 D52 R57 Y58 L76 E79 L80 L155V50-F54 HydrophobicContact CB-CB 3.7Å; V50-F54 HydrophobicContact CB-CD1 4.03Å; V50-F54 HydrophobicContact CB-CD2 4.2Å; V50-F54 HydrophobicContact CB-CG 3.74Å; V50-F54 HydrophobicContact CG1-CB 4.37Å; V50-F54 HydrophobicContact CG1-CD1 3.89Å; V50-F54 HydrophobicContact CG1-CD2 3.99Å; V50-F54 HydrophobicContact CG1-CE1 4.15Å; V50-F54 HydrophobicContact CG1-CE2 4.27Å; V50-F54 HydrophobicContact CG1-CG 3.84Å; V50-F54 HydrophobicContact CG1-CZ 4.36Å; V50-F54 HydrophobicContact CG2-CB 4.06Å; V50-F54 HydrophobicContact CG2-CD1 4.13Å; V50-F54 HydrophobicContact CG2-CG 4.22Å; D51-F54 VanDerWaalsContact O-CB 3.26Å; D51-F54 WeakPolarHBondContact O-CB 3.4Å; D51-F54 PolarHBondContact O-N 2.96Å; D51-F54 VanDerWaalsContact O-N 3.08Å; D51-F54 WeakPolarHBondContact OD1-CA 3.35Å; D51-F54 WeakPolarHBondContact OD1-CB 3.43Å; D51-F54 PolarHBondContact OD1-N 3.12Å; D52-F54 VanDerWaalsContact C-N 3.28Å; D52-F54 PolarHBondContact O-N 2.71Å; F54-R57 PolarHBondContact O-N 3Å; F54-Y58 AromaticContact CD1-CD2 3.71Å; F54-Y58 HydrophobicContact CD1-CD2 3.71Å; F54-Y58 AromaticContact CD1-CE2 3.94Å; F54-Y58 HydrophobicContact CD1-CE2 3.94Å; F54-Y58 HydrophobicContact CD2-CE2 4.33Å; F54-Y58 AromaticContact CE1-CD2 3.51Å; F54-Y58 HydrophobicContact CE1-CD2 3.51Å; F54-Y58 AromaticContact CE1-CE2 3.51Å; F54-Y58 HydrophobicContact CE1-CE2 3.51Å; F54-Y58 AromaticContact CE2-CE2 3.92Å; F54-Y58 HydrophobicContact CE2-CE2 3.92Å; F54-Y58 HydrophobicContact CG-CD2 4.36Å; F54-Y58 HydrophobicContact CG-CE2 4.31Å; F54-Y58 HydrophobicContact CZ-CD2 4Å; F54-Y58 AromaticContact CZ-CE2 3.48Å; F54-Y58 HydrophobicContact CZ-CE2 3.48Å; F54-Y58 VanDerWaalsContact CZ-CE2 3.48Å; F54-Y58 VanDerWaalsContact O-CD2 3.31Å; F54-Y58 WeakPolarHBondContact O-CD2 3.46Å; F54-Y58 PolarHBondContact O-N 3.46Å; F54-L76 HydrophobicContact CE1-CD1 4.13Å; F54-L76 HydrophobicContact CE1-CD2 4.35Å; F54-L76 HydrophobicContact CE1-CG 3.8Å; F54-L76 HydrophobicContact CZ-CD2 4.36Å; F54-L76 HydrophobicContact CZ-CG 3.94Å; F54-E79 HydrophobicContact CE2-CB 4.31Å; F54-E79 HydrophobicContact CE2-CG 4.06Å; F54-E79 WeakPolarHBondContact CE2-OE1 3.45Å; F54-L80 HydrophobicContact CE1-CD2 4.33Å; F54-L80 HydrophobicContact CE2-CD2 3.88Å; F54-L80 HydrophobicContact CE2-CG 4.5Å; F54-L80 HydrophobicContact CZ-CD2 3.57Å; F54-L80 HydrophobicContact CZ-CG 3.9Å; F54-L155 HydrophobicContact CD1-CD1 4.01Å; F54-L155 HydrophobicContact CE1-CD1 3.93Å; F54-L155 HydrophobicContact CE1-CD2 4.18Å
55I94.9Very high94.1Very high11 Ų1151.6 Ų51.66%0.05628%0.281CS..Hα-helixtrans-60.9-49.7178.8-58.1-59000109.9V50 D51 D52 R57 Y58 L60 L155 T163V50-I55 HydrophobicContact CG2-CD1 3.68Å; V50-I55 HydrophobicContact CG2-CG1 4.17Å; D51-I55 PolarHBondContact O-N 3.47Å; D52-I55 WeakPolarHBondContact O-CB 3.24Å; D52-I55 PolarHBondContact O-N 3.43Å; D52-I55 VanDerWaalsContact O-N 3.14Å; I55-R57 PolarHBondContact O-N 3.07Å; I55-Y58 PolarHBondContact O-N 3Å; I55-L60 HydrophobicContact CG2-CB 3.77Å; I55-L60 WeakPolarHBondContact O-CB 3.34Å; I55-L60 PolarHBondContact O-N 3.25Å; I55-L155 HydrophobicContact CD1-CB 3.7Å; I55-L155 HydrophobicContact CD1-CD1 3.69Å; I55-L155 HydrophobicContact CD1-CG 4.38Å; I55-T163 HydrophobicContact CD1-CG2 4.44Å
56E94.2Very high94Very high157 Ų15753 Ų5373%0.73429%0.288SS*.Hα-helixtrans-64.3-41.8179.9-171.5178-172.900112.3D52 Y58 G59D52-E56 PolarHBondContact O-N 3.04Å; E56-Y58 PolarHBondContact O-N 3.39Å; E56-G59 PolarHBondContact O-N 3.4Å
57R96.2Very high93.9Very high113 Ų11355.8 Ų55.843%0.42631%0.305SS..Hα-helixtrans-57.7-32.6-178.5173.716761-91.83113.7E53 F54 I55 E79E53-R57 WeakPolarHBondContact O-CB 3.42Å; E53-R57 PolarHBondContact O-N 3.27Å; E53-R57 PolarHBondContact O-NH1 3.13Å; F54-R57 PolarHBondContact O-N 3Å; I55-R57 PolarHBondContact O-N 3.07Å; R57-E79 IonicContact CZ-OE1 3.81Å; R57-E79 IonicContact CZ-OE2 2.94Å; R57-E79 IonicContact NE-OE1 3.82Å; R57-E79 IonicContact NE-OE2 2.95Å; R57-E79 PolarHBondContact NE-OE2 2.95Å; R57-E79 VanDerWaalsContact NH2-CD 3.34Å; R57-E79 IonicContact NH2-OE1 3.4Å; R57-E79 PolarHBondContact NH2-OE1 2.8Å; R57-E79 IonicContact NH2-OE2 2.72Å; R57-E79 PolarHBondContact NH2-OE2 2.94Å
58Y96.6Very high93.9Very high30 Ų3054.2 Ų54.212%0.11830%0.298CS..THydrogen-bonded Turntrans-97.412.4178.6-69.2-73.2000113.4F54 I55 E56 L60 V72 A75 L76 E79F54-Y58 AromaticContact CD1-CD2 3.71Å; F54-Y58 HydrophobicContact CD1-CD2 3.71Å; F54-Y58 AromaticContact CD1-CE2 3.94Å; F54-Y58 HydrophobicContact CD1-CE2 3.94Å; F54-Y58 HydrophobicContact CD2-CE2 4.33Å; F54-Y58 AromaticContact CE1-CD2 3.51Å; F54-Y58 HydrophobicContact CE1-CD2 3.51Å; F54-Y58 AromaticContact CE1-CE2 3.51Å; F54-Y58 HydrophobicContact CE1-CE2 3.51Å; F54-Y58 AromaticContact CE2-CE2 3.92Å; F54-Y58 HydrophobicContact CE2-CE2 3.92Å; F54-Y58 HydrophobicContact CG-CD2 4.36Å; F54-Y58 HydrophobicContact CG-CE2 4.31Å; F54-Y58 HydrophobicContact CZ-CD2 4Å; F54-Y58 AromaticContact CZ-CE2 3.48Å; F54-Y58 HydrophobicContact CZ-CE2 3.48Å; F54-Y58 VanDerWaalsContact CZ-CE2 3.48Å; F54-Y58 VanDerWaalsContact O-CD2 3.31Å; F54-Y58 WeakPolarHBondContact O-CD2 3.46Å; F54-Y58 PolarHBondContact O-N 3.46Å; I55-Y58 PolarHBondContact O-N 3Å; E56-Y58 PolarHBondContact O-N 3.39Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.96Å; Y58-V72 HydrophobicContact CD1-CG1 3.84Å; Y58-A75 HydrophobicContact CE1-CB 4.13Å; Y58-A75 PolarHBondContact OH-O 2.78Å; Y58-L76 HydrophobicContact CD1-CB 3.92Å; Y58-L76 HydrophobicContact CD1-CD1 4.29Å; Y58-L76 HydrophobicContact CD1-CG 4.42Å; Y58-L76 HydrophobicContact CD2-CB 4.45Å; Y58-L76 HydrophobicContact CD2-CD1 4.1Å; Y58-L76 HydrophobicContact CD2-CG 4.17Å; Y58-L76 HydrophobicContact CE1-CB 3.65Å; Y58-L76 HydrophobicContact CE1-CG 4.39Å; Y58-L76 HydrophobicContact CE2-CB 4.23Å; Y58-L76 HydrophobicContact CE2-CG 4.15Å; Y58-L76 HydrophobicContact CG-CB 4.32Å; Y58-L76 HydrophobicContact CG-CD1 3.96Å; Y58-L76 HydrophobicContact CG-CG 4.32Å; Y58-L76 VanDerWaalsContact CZ-CA 3.41Å; Y58-L76 WeakPolarHBondContact OH-CA 3.45Å; Y58-L76 PolarHBondContact OH-N 3.38Å; Y58-E79 WeakPolarHBondContact OH-CB 3.4Å; Y58-E79 PolarHBondContact OH-OE2 2.72Å
59G94.5Very high93.8Very high61 Ų6159 Ų5963%0.62932%0.32SS*.THydrogen-bonded Turntrans67.828.3177.900000113.3E56E56-G59 PolarHBondContact O-N 3.4Å
60L95.3Very high93.6Very high11 Ų1157 Ų576%0.05832%0.316CS..  trans-95.3166.5-179.6-56174.2000110.8I55 Y58 L66 I68 L155 T163 A165I55-L60 HydrophobicContact CG2-CB 3.77Å; I55-L60 WeakPolarHBondContact O-CB 3.34Å; I55-L60 PolarHBondContact O-N 3.25Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.96Å; L60-L66 HydrophobicContact CD2-CB 4.13Å; L60-L66 HydrophobicContact CD2-CD1 4.13Å; L60-I68 HydrophobicContact CD2-CG2 3.89Å; L60-L155 HydrophobicContact CD1-CD1 3.5Å; L60-T163 HydrophobicContact CB-CG2 3.99Å; L60-T163 HydrophobicContact CD1-CG2 4.37Å; L60-A165 HydrophobicContact CD1-CB 3.77Å; L60-A165 HydrophobicContact CD2-CB 3.86Å; L60-A165 HydrophobicContact CG-CB 4.49Å
61S92Very high93.5Very high58 Ų5862.1 Ų62.141%0.40634%0.343SS..  trans-133.1134.7175.5-65.70000109.5G63 H64 T163S61-G63 PolarHBondContact O-N 3.24Å; S61-H64 WeakPolarHBondContact CB-ND1 3.43Å; S61-H64 WeakPolarHBondContact O-CB 3.5Å; S61-H64 PolarHBondContact O-N 2.89Å; S61-H64 VanDerWaalsContact O-N 3.1Å; S61-H64 PolarHBondContact O-ND1 3Å; S61-T163 VanDerWaalsContact O-CG2 3.32Å; S61-T163 WeakPolarHBondContact O-CG2 3.48Å
62A89.1Confident93.6Very high64 Ų6461.2 Ų61.253%0.52934%0.34SS..THydrogen-bonded Turntrans-51.9136.7-177.100000111.8H64 E161 T163A62-H64 PolarHBondContact O-N 3.23Å; A62-H64 PolarHBondContact O-ND1 3.37Å; A62-E161 HydrophobicContact CB-CG 4.41Å; A62-T163 WeakPolarHBondContact CA-OG1 3.35Å
63G86.5Confident93.7Very high21 Ų2156.4 Ų56.422%0.21631%0.314CS..THydrogen-bonded Turntrans77.2-5.5179.200000115.5S61 R162 T163S61-G63 PolarHBondContact O-N 3.24Å; G63-R162 VanDerWaalsContact CA-O 3.23Å; G63-R162 WeakPolarHBondContact CA-O 3.4Å; G63-R162 PolarHBondContact N-O 3.2Å; G63-T163 PolarHBondContact N-OG1 3.43Å
64H89.2Confident93.8Very high41 Ų4154.3 Ų54.319%0.1930%0.304CS..  trans-88.3155.7-178.9-66.760.5000112.2S61 A62 L66 F164 F231S61-H64 WeakPolarHBondContact CB-ND1 3.43Å; S61-H64 WeakPolarHBondContact O-CB 3.5Å; S61-H64 PolarHBondContact O-N 2.89Å; S61-H64 VanDerWaalsContact O-N 3.1Å; S61-H64 PolarHBondContact O-ND1 3Å; A62-H64 PolarHBondContact O-N 3.23Å; A62-H64 PolarHBondContact O-ND1 3.37Å; H64-L66 HydrophobicContact CB-CD1 4.1Å; H64-L66 HydrophobicContact CB-CD2 4.31Å; H64-L66 HydrophobicContact CB-CG 3.85Å; H64-F164 PolarHBondContact O-N 3.3Å; H64-F231 AromaticContact CD2-CD2 3.4Å; H64-F231 WeakPolarHBondContact CD2-CD2 3.4Å; H64-F231 AromaticContact CD2-CE2 3.63Å; H64-F231 AromaticContact CD2-CG 3.62Å; H64-F231 AromaticContact CE1-CD2 3.9Å; H64-F231 AromaticContact CE1-CE1 3.58Å; H64-F231 AromaticContact CE1-CE2 3.3Å; H64-F231 WeakPolarHBondContact CE1-CE2 3.42Å; H64-F231 AromaticContact CE1-CZ 3.12Å; H64-F231 WeakPolarHBondContact CE1-CZ 3.35Å; H64-F231 AromaticContact CG-CD2 3.77Å; H64-F231 AromaticContact CG-CE2 3.7Å; H64-F231 AromaticContact ND1-CE2 3.49Å; H64-F231 WeakPolarHBondContact ND1-CE2 3.44Å; H64-F231 AromaticContact ND1-CZ 3.78Å; H64-F231 AromaticContact NE2-CD1 3.44Å; H64-F231 WeakPolarHBondContact NE2-CD1 3.26Å; H64-F231 AromaticContact NE2-CD2 3.51Å; H64-F231 AromaticContact NE2-CE1 3.33Å; H64-F231 VanDerWaalsContact NE2-CE1 3.33Å; H64-F231 WeakPolarHBondContact NE2-CE1 3.17Å; H64-F231 AromaticContact NE2-CE2 3.4Å; H64-F231 WeakPolarHBondContact NE2-CE2 3.33Å; H64-F231 AromaticContact NE2-CG 3.53Å; H64-F231 AromaticContact NE2-CZ 3.31Å; H64-F231 VanDerWaalsContact NE2-CZ 3.31Å; H64-F231 WeakPolarHBondContact NE2-CZ 3.43Å
65S92.6Very high93.8Very high8 Ų856.6 Ų56.66%0.05632%0.324CS..EExtended strand (participates in β ladder)trans-106.9109.2160.7179.30000108.4F164 R198S65-F164 CarbonylContact C-O 3.54Å; S65-F164 WeakPolarHBondContact CA-O 3.43Å; S65-R198 PolarHBondContact O-NH1 2.92Å; S65-R198 PolarHBondContact OG-NH2 2.93Å
66L93.8Very high94Very high56 Ų5656.1 Ų56.129%0.29332%0.321SS..EExtended strand (participates in β ladder)trans-119.3137.1-175.8-63.8170.1000110.5L60 H64 F164 A165 I166L60-L66 HydrophobicContact CD2-CB 4.13Å; L60-L66 HydrophobicContact CD2-CD1 4.13Å; H64-L66 HydrophobicContact CB-CD1 4.1Å; H64-L66 HydrophobicContact CB-CD2 4.31Å; H64-L66 HydrophobicContact CB-CG 3.85Å; L66-F164 PolarHBondContact N-O 3.3Å; L66-A165 WeakPolarHBondContact O-CA 3.31Å; L66-I166 PolarHBondContact O-N 2.96Å
67V94.7Very high94.1Very high60 Ų6050.5 Ų50.536%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-80.6132.5171178.50000108.4I166 P168V67-I166 WeakPolarHBondContact CA-O 3.31Å; V67-I166 HydrophobicContact CG2-CB 4.36Å; V67-P168 HydrophobicContact CG1-CG 3.47Å; V67-P168 VanDerWaalsContact CG1-CG 3.47Å
68I95.5Very high94.1Very high14 Ų1449.1 Ų49.17%0.07229%0.292CS..  trans-116.4152.1178.857.4168.6000110.7L60 V72 A73 L76 F153 A165 I166L60-I68 HydrophobicContact CD2-CG2 3.89Å; I68-V72 HydrophobicContact CB-CB 4.49Å; I68-V72 HydrophobicContact CB-CG1 4.37Å; I68-A73 HydrophobicContact CD1-CB 3.61Å; I68-A73 HydrophobicContact CG1-CB 4.07Å; I68-L76 HydrophobicContact CD1-CD1 4.35Å; I68-F153 HydrophobicContact CD1-CD2 4.37Å; I68-A165 HydrophobicContact CD1-CB 3.91Å; I68-A165 HydrophobicContact CG1-CB 4.39Å; I68-A165 HydrophobicContact CG2-CB 4.26Å; I68-I166 WeakPolarHBondContact CG1-O 3.4Å; I68-I166 PolarHBondContact N-O 3.09Å
69E93.5Very high94.2Very high100 Ų10049.4 Ų49.447%0.46729%0.294SS..  trans-71.1157.9175.1-63.6-57.7151.400111.7D71 V72 A73 K200E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 WeakPolarHBondContact CB-OD1 3.17Å; E69-D71 PolarHBondContact O-N 3.37Å; E69-V72 HydrophobicContact CB-CG2 4.43Å; E69-V72 PolarHBondContact O-N 3.48Å; E69-A73 WeakPolarHBondContact O-CB 3.26Å; E69-A73 PolarHBondContact O-N 3.26Å; E69-K200 IonicContact OE1-NZ 3.64Å; E69-K200 IonicContact OE2-NZ 2.62Å; E69-K200 PolarHBondContact OE2-NZ 3.06Å
70D91.5Very high94.4Very high94 Ų9446.5 Ų46.550%0.50326%0.264SS..Hα-helixtrans-64.1-34.3-169.8-69-25.4000113.4E74D70-E74 PolarHBondContact O-N 3.14Å
71D94.6Very high94.4Very high120 Ų12049.3 Ų49.364%0.64228%0.276SS*.Hα-helixtrans-69.5-42.2176.664.3-44000111.8E69 A73 E74 A75E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 WeakPolarHBondContact CB-OD1 3.17Å; E69-D71 PolarHBondContact O-N 3.37Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-E74 PolarHBondContact O-N 3.26Å; D71-A75 PolarHBondContact O-N 3.41Å
72V96.6Very high94.7Very high45 Ų4554.6 Ų54.627%0.27329%0.294SS..Hα-helixtrans-63-43.6174.1-176.90000110.3Y58 I68 E69 E74 A75 L76Y58-V72 HydrophobicContact CD1-CG1 3.84Å; I68-V72 HydrophobicContact CB-CB 4.49Å; I68-V72 HydrophobicContact CB-CG1 4.37Å; E69-V72 HydrophobicContact CB-CG2 4.43Å; E69-V72 PolarHBondContact O-N 3.48Å; V72-E74 PolarHBondContact O-N 3.02Å; V72-A75 PolarHBondContact O-N 2.98Å; V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 3Å
73A96.4Very high95.1Very high0 Ų056.7 Ų56.70%029%0.291CS..Hα-helixtrans-62.1-41.2177.400000112.7I68 E69 D71 Y77 F153I68-A73 HydrophobicContact CD1-CB 3.61Å; I68-A73 HydrophobicContact CG1-CB 4.07Å; E69-A73 WeakPolarHBondContact O-CB 3.26Å; E69-A73 PolarHBondContact O-N 3.26Å; D71-A73 VanDerWaalsContact C-N 3.35Å; A73-Y77 VanDerWaalsContact O-CB 3.28Å; A73-Y77 WeakPolarHBondContact O-CB 3.33Å; A73-Y77 PolarHBondContact O-N 3.42Å; A73-F153 HydrophobicContact CB-CE2 4.18Å
74E95.6Very high95.6Very high75 Ų7562.7 Ų62.735%0.3532%0.318SS..Hα-helixtrans-69.5-41.5177.9-172.956.3-154.500111.7D70 D71 V72 L76 Y77 Q78 R151D70-E74 PolarHBondContact O-N 3.14Å; D71-E74 PolarHBondContact O-N 3.26Å; V72-E74 PolarHBondContact O-N 3.02Å; E74-L76 PolarHBondContact O-N 2.78Å; E74-Y77 PolarHBondContact O-N 3.5Å; E74-Q78 HydrophobicContact CG-CG 4.48Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.37Å; E74-Q78 PolarHBondContact O-N 3.45Å; E74-Q78 WeakPolarHBondContact OE1-CG 3.45Å; E74-Q78 PolarHBondContact OE1-NE2 3.08Å; E74-R151 IonicContact OE2-NH1 2.76Å
75A97.4Very high95.9Very high50 Ų5063.3 Ų63.341%0.41332%0.323SS..Hα-helixtrans-59.9-45.1174.400000111.8Y58 D71 V72 Q78 E79Y58-A75 HydrophobicContact CE1-CB 4.13Å; Y58-A75 PolarHBondContact OH-O 2.78Å; D71-A75 PolarHBondContact O-N 3.41Å; V72-A75 PolarHBondContact O-N 2.98Å; A75-Q78 PolarHBondContact O-N 3.22Å; A75-E79 PolarHBondContact O-N 3.46Å
76L97.7Very high96.1Very high0 Ų064.8 Ų64.80%033%0.33CS..Hα-helixtrans-58.8-48.8174.7-172.4159.9000111.1F54 Y58 I68 V72 E74 Q78 E79 L80 F153 L155 A165F54-L76 HydrophobicContact CE1-CD1 4.13Å; F54-L76 HydrophobicContact CE1-CD2 4.35Å; F54-L76 HydrophobicContact CE1-CG 3.8Å; F54-L76 HydrophobicContact CZ-CD2 4.36Å; F54-L76 HydrophobicContact CZ-CG 3.94Å; Y58-L76 HydrophobicContact CD1-CB 3.92Å; Y58-L76 HydrophobicContact CD1-CD1 4.29Å; Y58-L76 HydrophobicContact CD1-CG 4.42Å; Y58-L76 HydrophobicContact CD2-CB 4.45Å; Y58-L76 HydrophobicContact CD2-CD1 4.1Å; Y58-L76 HydrophobicContact CD2-CG 4.17Å; Y58-L76 HydrophobicContact CE1-CB 3.65Å; Y58-L76 HydrophobicContact CE1-CG 4.39Å; Y58-L76 HydrophobicContact CE2-CB 4.23Å; Y58-L76 HydrophobicContact CE2-CG 4.15Å; Y58-L76 HydrophobicContact CG-CB 4.32Å; Y58-L76 HydrophobicContact CG-CD1 3.96Å; Y58-L76 HydrophobicContact CG-CG 4.32Å; Y58-L76 VanDerWaalsContact CZ-CA 3.41Å; Y58-L76 WeakPolarHBondContact OH-CA 3.45Å; Y58-L76 PolarHBondContact OH-N 3.38Å; I68-L76 HydrophobicContact CD1-CD1 4.35Å; V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 3Å; E74-L76 PolarHBondContact O-N 2.78Å; L76-Q78 PolarHBondContact O-N 2.69Å; L76-E79 PolarHBondContact O-N 3.08Å; L76-L80 HydrophobicContact CD2-CD1 3.53Å; L76-L80 HydrophobicContact CD2-CG 4Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 2.67Å; L76-F153 HydrophobicContact CD2-CB 3.91Å; L76-F153 HydrophobicContact CD2-CD1 3.5Å; L76-F153 VanDerWaalsContact CD2-CD1 3.5Å; L76-F153 HydrophobicContact CD2-CD2 3.97Å; L76-F153 HydrophobicContact CD2-CE1 3.94Å; L76-F153 HydrophobicContact CD2-CE2 4.37Å; L76-F153 HydrophobicContact CD2-CG 3.51Å; L76-F153 HydrophobicContact CD2-CZ 4.35Å; L76-L155 HydrophobicContact CD1-CD1 4.35Å; L76-A165 HydrophobicContact CD1-CB 4.25Å
77Y97Very high96.2Very high40 Ų4065.3 Ų65.316%0.15734%0.335CS..Hα-helixtrans-62.3-41.9-179.2-179.7-131.6000112.9A73 E74 K81 I86 Y125 F153A73-Y77 VanDerWaalsContact O-CB 3.28Å; A73-Y77 WeakPolarHBondContact O-CB 3.33Å; A73-Y77 PolarHBondContact O-N 3.42Å; E74-Y77 PolarHBondContact O-N 3.5Å; Y77-K81 HydrophobicContact CD1-CD 4.48Å; Y77-K81 HydrophobicContact CD2-CD 4.43Å; Y77-K81 HydrophobicContact CD2-CG 4.39Å; Y77-K81 HydrophobicContact CE1-CD 3.94Å; Y77-K81 VanDerWaalsContact CE1-CE 3.47Å; Y77-K81 HydrophobicContact CE2-CD 3.88Å; Y77-K81 HydrophobicContact CE2-CG 4.03Å; Y77-K81 WeakPolarHBondContact O-CG 3.41Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-K81 VanDerWaalsContact O-N 3.11Å; Y77-I86 HydrophobicContact CD2-CD1 4.48Å; Y77-I86 HydrophobicContact CE2-CD1 4.1Å; Y77-Y125 WeakPolarHBondContact CE2-OH 3.33Å; Y77-Y125 VanDerWaalsContact CZ-OH 3.25Å; Y77-Y125 PolarHBondContact OH-OH 3.3Å; Y77-F153 AromaticContact CD2-CE1 3.91Å; Y77-F153 HydrophobicContact CD2-CE1 3.91Å; Y77-F153 HydrophobicContact CD2-CZ 4.48Å; Y77-F153 HydrophobicContact CG-CE1 4.28Å; Y77-F153 HydrophobicContact CG-CZ 4.44Å
78Q97.4Very high96.1Very high84 Ų8468.2 Ų68.239%0.39335%0.345SS..Hα-helixtrans-66.3-40.4176.8-67.6-64.3-17.400111.7E74 A75 L76 K81 Q82E74-Q78 HydrophobicContact CG-CG 4.48Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.37Å; E74-Q78 PolarHBondContact O-N 3.45Å; E74-Q78 WeakPolarHBondContact OE1-CG 3.45Å; E74-Q78 PolarHBondContact OE1-NE2 3.08Å; A75-Q78 PolarHBondContact O-N 3.22Å; L76-Q78 PolarHBondContact O-N 2.69Å; Q78-K81 VanDerWaalsContact CD-NZ 3.34Å; Q78-K81 PolarHBondContact O-N 3.29Å; Q78-Q82 WeakPolarHBondContact O-CB 3.4Å; Q78-Q82 PolarHBondContact O-N 3.44Å
79E98Very high96.1Very high36 Ų3670.5 Ų70.517%0.16836%0.355CS..Hα-helixtrans-62.5-45.4176.6-165.4-175.114900111.6F54 R57 Y58 A75 L76 K81 Q82 K83F54-E79 HydrophobicContact CE2-CB 4.31Å; F54-E79 HydrophobicContact CE2-CG 4.06Å; F54-E79 WeakPolarHBondContact CE2-OE1 3.45Å; R57-E79 IonicContact CZ-OE1 3.81Å; R57-E79 IonicContact CZ-OE2 2.94Å; R57-E79 IonicContact NE-OE1 3.82Å; R57-E79 IonicContact NE-OE2 2.95Å; R57-E79 PolarHBondContact NE-OE2 2.95Å; R57-E79 VanDerWaalsContact NH2-CD 3.34Å; R57-E79 IonicContact NH2-OE1 3.4Å; R57-E79 PolarHBondContact NH2-OE1 2.8Å; R57-E79 IonicContact NH2-OE2 2.72Å; R57-E79 PolarHBondContact NH2-OE2 2.94Å; Y58-E79 WeakPolarHBondContact OH-CB 3.4Å; Y58-E79 PolarHBondContact OH-OE2 2.72Å; A75-E79 PolarHBondContact O-N 3.46Å; L76-E79 PolarHBondContact O-N 3.08Å; E79-K81 VanDerWaalsContact C-N 3.32Å; E79-K81 PolarHBondContact O-N 3.23Å; E79-Q82 PolarHBondContact O-N 3.05Å; E79-K83 HydrophobicContact CG-CD 4.14Å; E79-K83 PolarHBondContact O-N 3.43Å; E79-K83 WeakPolarHBondContact OE1-CE 3.42Å; E79-K83 IonicContact OE1-NZ 3.8Å; E79-K83 PolarHBondContact OE1-NZ 3.28Å
80L97.8Very high96.1Very high0 Ų070.4 Ų70.40%035%0.353CS..Hα-helixtrans-59.2-41.9176.8-71.1-177.2000112.4A48 V50 F54 L76 N84 L85 I86 F153 L155A48-L80 HydrophobicContact CB-CD1 4.1Å; A48-L80 HydrophobicContact CB-CD2 3.58Å; A48-L80 HydrophobicContact CB-CG 4.45Å; V50-L80 HydrophobicContact CG1-CD2 4Å; F54-L80 HydrophobicContact CE1-CD2 4.33Å; F54-L80 HydrophobicContact CE2-CD2 3.88Å; F54-L80 HydrophobicContact CE2-CG 4.5Å; F54-L80 HydrophobicContact CZ-CD2 3.57Å; F54-L80 HydrophobicContact CZ-CG 3.9Å; L76-L80 HydrophobicContact CD2-CD1 3.53Å; L76-L80 HydrophobicContact CD2-CG 4Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 2.67Å; L80-N84 PolarHBondContact O-N 3.27Å; L80-L85 HydrophobicContact CD2-CB 3.96Å; L80-L85 HydrophobicContact CD2-CD1 4.18Å; L80-L85 PolarHBondContact O-N 3.01Å; L80-I86 HydrophobicContact CB-CD1 4.26Å; L80-I86 HydrophobicContact CB-CG1 3.86Å; L80-F153 HydrophobicContact CD1-CD1 3.96Å; L80-L155 HydrophobicContact CD1-CD2 4.39Å
81K96.7Very high96.2Very high69 Ų6966.2 Ų66.230%0.333%0.332SS..Hα-helixtrans-67.2-46.9175.7-75.6-175.9-64.2-175.50111.8Y77 Q78 E79 K83 N84 I86Y77-K81 HydrophobicContact CD1-CD 4.48Å; Y77-K81 HydrophobicContact CD2-CD 4.43Å; Y77-K81 HydrophobicContact CD2-CG 4.39Å; Y77-K81 HydrophobicContact CE1-CD 3.94Å; Y77-K81 VanDerWaalsContact CE1-CE 3.47Å; Y77-K81 HydrophobicContact CE2-CD 3.88Å; Y77-K81 HydrophobicContact CE2-CG 4.03Å; Y77-K81 WeakPolarHBondContact O-CG 3.41Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-K81 VanDerWaalsContact O-N 3.11Å; Q78-K81 VanDerWaalsContact CD-NZ 3.34Å; Q78-K81 PolarHBondContact O-N 3.29Å; E79-K81 VanDerWaalsContact C-N 3.32Å; E79-K81 PolarHBondContact O-N 3.23Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 PolarHBondContact O-N 2.71Å; K81-N84 PolarHBondContact O-N 3.4Å; K81-N84 PolarHBondContact O-OD1 2.87Å; K81-I86 HydrophobicContact CG-CD1 3.93Å
82Q97.3Very high96.2Very high169 Ų16960.5 Ų60.579%0.7930%0.302SS*.Hα-helixtrans-64.6-33.4-175.9-176.3154.29.300112.5Q78 E79Q78-Q82 WeakPolarHBondContact O-CB 3.4Å; Q78-Q82 PolarHBondContact O-N 3.44Å; E79-Q82 PolarHBondContact O-N 3.05Å
83K97.3Very high96Very high108 Ų10858.7 Ų58.747%0.4729%0.291SS..THydrogen-bonded Turntrans-89.42.2175.3-66.6-178.8174.1176.20113.8E79 K81 L85E79-K83 HydrophobicContact CG-CD 4.14Å; E79-K83 PolarHBondContact O-N 3.43Å; E79-K83 WeakPolarHBondContact OE1-CE 3.42Å; E79-K83 IonicContact OE1-NZ 3.8Å; E79-K83 PolarHBondContact OE1-NZ 3.28Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 PolarHBondContact O-N 2.71Å; K83-L85 VanDerWaalsContact C-N 3.25Å; K83-L85 HydrophobicContact CB-CD1 3.72Å; K83-L85 HydrophobicContact CB-CD2 4.4Å; K83-L85 HydrophobicContact CB-CG 3.61Å; K83-L85 HydrophobicContact CD-CD1 3.91Å; K83-L85 HydrophobicContact CG-CD1 4.48Å; K83-L85 PolarHBondContact O-N 3.39Å
84N96.6Very high96Very high147 Ų14759.8 Ų59.879%0.78630%0.298SS*.THydrogen-bonded Turntrans49.942.1-174.9-71.7-23.7000113.5L80 K81L80-N84 PolarHBondContact O-N 3.27Å; K81-N84 PolarHBondContact O-N 3.4Å; K81-N84 PolarHBondContact O-OD1 2.87Å
85L97.1Very high96.1Very high54 Ų5456.2 Ų56.228%0.28328%0.282SS..  trans-89.4-13.5-175.4-66.4175.2000114A48 L80 K83 T87A48-L85 WeakPolarHBondContact CA-O 3.41Å; A48-L85 HydrophobicContact CB-CB 4.32Å; A48-L85 WeakPolarHBondContact CB-O 3.16Å; L80-L85 HydrophobicContact CD2-CB 3.96Å; L80-L85 HydrophobicContact CD2-CD1 4.18Å; L80-L85 PolarHBondContact O-N 3.01Å; K83-L85 VanDerWaalsContact C-N 3.25Å; K83-L85 HydrophobicContact CB-CD1 3.72Å; K83-L85 HydrophobicContact CB-CD2 4.4Å; K83-L85 HydrophobicContact CB-CG 3.61Å; K83-L85 HydrophobicContact CD-CD1 3.91Å; K83-L85 HydrophobicContact CG-CD1 4.48Å; K83-L85 PolarHBondContact O-N 3.39Å; L85-T87 PolarHBondContact O-N 3.33Å
86I96.4Very high96.1Very high40 Ų4054.2 Ų54.221%0.20527%0.266CS..EExtended strand (participates in β ladder)trans-68.8118.4-179.6-56.6176.7000109.2I46 Y77 L80 K81 Q89I46-I86 HydrophobicContact CG2-CD1 4.08Å; I46-I86 HydrophobicContact CG2-CG1 4.15Å; I46-I86 HydrophobicContact CG2-CG2 3.95Å; Y77-I86 HydrophobicContact CD2-CD1 4.48Å; Y77-I86 HydrophobicContact CE2-CD1 4.1Å; L80-I86 HydrophobicContact CB-CD1 4.26Å; L80-I86 HydrophobicContact CB-CG1 3.86Å; K81-I86 HydrophobicContact CG-CD1 3.93Å; I86-Q89 HydrophobicContact CG2-CG 3.83Å
87T94.8Very high96Very high67 Ų6756.1 Ų56.141%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-95.7-43.5-178.662.90000112.3E47 L85E47-T87 PolarHBondContact O-N 3.37Å; E47-T87 PolarHBondContact O-OG1 2.99Å; L85-T87 PolarHBondContact O-N 3.33Å
88H93Very high96Very high121 Ų12154.2 Ų54.256%0.5627%0.269SS*.EExtended strand (participates in β ladder)trans-143.1151.4-177.8-61.590.8000110.9E47E47-H88 HydrophobicContact CB-CB 4.27Å; E47-H88 HydrophobicContact CG-CB 4.39Å; E47-H88 PolarHBondContact N-O 2.91Å; E47-H88 PolarHBondContact O-N 3Å
89Q94.8Very high96.1Very high62 Ų6250.2 Ų50.229%0.2925%0.25SC..EExtended strand (participates in β ladder)trans-136.6119.1171.8-67172.265.900107.8D45 I46 I86 Y125D45-Q89 VanDerWaalsContact O-CA 3.27Å; D45-Q89 WeakPolarHBondContact O-CA 3.49Å; I46-Q89 HydrophobicContact CG1-CG 4.46Å; I46-Q89 HydrophobicContact CG2-CG 4.44Å; I86-Q89 HydrophobicContact CG2-CG 3.83Å; Q89-Y125 PolarHBondContact OE1-OH 3.11Å
90F94.3Very high96Very high97 Ų9750.4 Ų50.443%0.42525%0.251SS..EExtended strand (participates in β ladder)trans-147.2163.5-174.2-151.4-105.3000111.9V44 D45 G92 N132V44-F90 WeakPolarHBondContact CG1-O 3.45Å; D45-F90 PolarHBondContact N-O 3.32Å; D45-F90 PolarHBondContact O-N 3.43Å; F90-G92 PolarHBondContact O-N 2.88Å; F90-N132 HydrophobicContact CD1-CB 4.34Å; F90-N132 HydrophobicContact CD2-CB 3.87Å; F90-N132 WeakPolarHBondContact CD2-OD1 3.32Å; F90-N132 HydrophobicContact CE1-CB 4.1Å; F90-N132 HydrophobicContact CE2-CB 3.61Å; F90-N132 HydrophobicContact CG-CB 4.23Å; F90-N132 HydrophobicContact CZ-CB 3.73Å
91A94.4Very high96Very high7 Ų753 Ų536%0.05826%0.264CS..EExtended strand (participates in β ladder)trans-61.1134.5170.200000109.5Y129 N132A91-Y129 HydrophobicContact CB-CD2 3.76Å; A91-Y129 HydrophobicContact CB-CE2 3.9Å; A91-Y129 HydrophobicContact CB-CG 4.29Å; A91-N132 HydrophobicContact CB-CB 4Å
92G93.6Very high96Very high0 Ų049.7 Ų49.70%025%0.25CS..  trans-129.8-154.2-178.100000112.2L43 D45 F90L43-G92 CarbonylContact O-C 3.52Å; L43-G92 PolarHBondContact O-N 3.04Å; D45-G92 WeakPolarHBondContact OD2-CA 3.35Å; F90-G92 PolarHBondContact O-N 2.88Å
93G93.4Very high96Very high6 Ų641.8 Ų41.86%0.06221%0.213CC..  trans86137.7-173.900000112.1D40 I95 G96 N97D40-G93 WeakPolarHBondContact OD2-CA 3.4Å; G93-I95 VanDerWaalsContact C-N 3.34Å; G93-I95 PolarHBondContact O-N 2.81Å; G93-G96 PolarHBondContact O-N 3.01Å; G93-N97 VanDerWaalsContact O-CB 3.26Å; G93-N97 WeakPolarHBondContact O-CB 3.44Å; G93-N97 PolarHBondContact O-N 2.86Å; G93-N97 PolarHBondContact O-ND2 3.05Å
94T95.4Very high96Very high24 Ų2440.5 Ų40.515%0.14721%0.214CC..Hα-helixtrans-58.6-45.5-173.8-59.10000111.6D40 T98 T226 D358D40-T94 PolarHBondContact OD2-N 2.89Å; T94-T98 WeakPolarHBondContact O-CB 3.47Å; T94-T98 PolarHBondContact O-N 3.27Å; T94-T98 VanDerWaalsContact O-N 3.13Å; T94-T98 PolarHBondContact O-OG1 2.93Å; T94-T226 HydrophobicContact CG2-CG2 3.47Å; T94-T226 VanDerWaalsContact CG2-CG2 3.47Å; T94-D358 WeakPolarHBondContact CG2-OD1 3.41Å
95I97.8Very high96Very high0 Ų037.2 Ų37.20%020%0.196CC..Hα-helixtrans-83.1-32.3-178.6-60.4-51.3000111.5I39 D40 G93 T98 M99 L112 V191 T193 T226I39-I95 WeakPolarHBondContact O-CB 3.47Å; I39-I95 WeakPolarHBondContact O-CG1 3.49Å; I39-I95 WeakPolarHBondContact O-CG2 3.31Å; D40-I95 HydrophobicContact CB-CB 3.74Å; D40-I95 HydrophobicContact CB-CG2 4.29Å; D40-I95 PolarHBondContact OD2-N 2.91Å; D40-I95 VanDerWaalsContact OD2-N 3.17Å; G93-I95 VanDerWaalsContact C-N 3.34Å; G93-I95 PolarHBondContact O-N 2.81Å; I95-T98 PolarHBondContact O-N 2.84Å; I95-M99 HydrophobicContact CG2-CG 4.1Å; I95-M99 WeakPolarHBondContact O-CB 3.32Å; I95-M99 VanDerWaalsContact O-CG 3.29Å; I95-M99 WeakPolarHBondContact O-CG 3.46Å; I95-M99 PolarHBondContact O-N 2.98Å; I95-L112 HydrophobicContact CG2-CD1 4.32Å; I95-V191 HydrophobicContact CD1-CG1 3.72Å; I95-T193 HydrophobicContact CG1-CG2 3.8Å; I95-T226 HydrophobicContact CD1-CG2 3.74Å
96G96.8Very high95.9Very high7 Ų734.7 Ų34.77%0.07218%0.183CC..Hα-helixtrans-57.3-4917100000111.3D40 G93 T98 M99 H100D40-G96 PolarHBondContact OD2-N 3.48Å; G93-G96 PolarHBondContact O-N 3.01Å; G96-T98 PolarHBondContact O-N 3.28Å; G96-M99 PolarHBondContact O-N 3.33Å; G96-H100 VanDerWaalsContact O-CB 3.27Å; G96-H100 WeakPolarHBondContact O-CB 3.35Å; G96-H100 PolarHBondContact O-N 3.11Å
97N95.9Very high95.8Very high41 Ų4136 Ų3622%0.21919%0.191CC..Hα-helixtrans-60.8-43.8173.8-71.7-19.3000111.9G93 H100 N101G93-N97 VanDerWaalsContact O-CB 3.26Å; G93-N97 WeakPolarHBondContact O-CB 3.44Å; G93-N97 PolarHBondContact O-N 2.86Å; G93-N97 PolarHBondContact O-ND2 3.05Å; N97-H100 PolarHBondContact O-N 3.15Å; N97-N101 VanDerWaalsContact O-CB 3.28Å; N97-N101 WeakPolarHBondContact O-CB 3.11Å; N97-N101 VanDerWaalsContact O-CG 3.22Å; N97-N101 PolarHBondContact O-N 2.96Å; N97-N101 PolarHBondContact O-ND2 2.75Å
98T97.8Very high95.8Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-62.2-45.2177.8-58.70000111.7T94 I95 G96 N101 Y102 V191 L361 A362 L365T94-T98 WeakPolarHBondContact O-CB 3.47Å; T94-T98 PolarHBondContact O-N 3.27Å; T94-T98 VanDerWaalsContact O-N 3.13Å; T94-T98 PolarHBondContact O-OG1 2.93Å; I95-T98 PolarHBondContact O-N 2.84Å; G96-T98 PolarHBondContact O-N 3.28Å; T98-N101 PolarHBondContact O-N 3.12Å; T98-Y102 VanDerWaalsContact O-CB 3.29Å; T98-Y102 WeakPolarHBondContact O-CB 3.39Å; T98-Y102 PolarHBondContact O-N 3.45Å; T98-V191 HydrophobicContact CG2-CG1 4.47Å; T98-L361 HydrophobicContact CG2-CD2 3.99Å; T98-L361 HydrophobicContact CG2-CG 3.97Å; T98-A362 HydrophobicContact CG2-CB 4.41Å; T98-L365 HydrophobicContact CG2-CD1 3.52Å
99M98.2Very high96Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-68.3-38.9178.7-69.2-55.295.600112.3V36 I95 G96 S103 S110 L112 T137 V191 L365V36-M99 HydrophobicContact CB-SD 4.5Å; V36-M99 HydrophobicContact CG1-CE 3.82Å; V36-M99 HydrophobicContact CG1-SD 3.98Å; I95-M99 HydrophobicContact CG2-CG 4.1Å; I95-M99 WeakPolarHBondContact O-CB 3.32Å; I95-M99 VanDerWaalsContact O-CG 3.29Å; I95-M99 WeakPolarHBondContact O-CG 3.46Å; I95-M99 PolarHBondContact O-N 2.98Å; G96-M99 PolarHBondContact O-N 3.33Å; M99-S103 PolarHBondContact O-N 3.19Å; M99-S103 VanDerWaalsContact O-N 3.1Å; M99-S110 PolarHBondContact O-OG 2.89Å; M99-L112 HydrophobicContact CG-CD1 4.07Å; M99-T137 HydrophobicContact CB-CG2 4.28Å; M99-T137 PolarHBondContact O-OG1 3.49Å; M99-V191 HydrophobicContact CE-CB 3.95Å; M99-V191 HydrophobicContact CE-CG1 4.38Å; M99-V191 HydrophobicContact CE-CG2 3.73Å; M99-L365 HydrophobicContact CE-CD1 3.93Å
100H97.2Very high96.2Very high40 Ų4028.2 Ų28.219%0.18515%0.148CC..Hα-helixtrans-59.5-54.5172.8179.8112.2000110.5G96 N97 Y102 S103 V104 N132 S134G96-H100 VanDerWaalsContact O-CB 3.27Å; G96-H100 WeakPolarHBondContact O-CB 3.35Å; G96-H100 PolarHBondContact O-N 3.11Å; N97-H100 PolarHBondContact O-N 3.15Å; H100-Y102 PolarHBondContact O-N 2.9Å; H100-S103 PolarHBondContact O-N 2.96Å; H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 2.93Å; H100-N132 PolarHBondContact CE1-O 3.2Å; H100-S134 PolarHBondContact CE1-N 2.8Å; H100-S134 PolarHBondContact ND1-N 2.87Å; H100-S134 VanDerWaalsContact ND1-N 3.11Å
101N96.8Very high96.4Very high54 Ų5423.6 Ų23.629%0.28913%0.128SC..Hα-helixtrans-63.1-41.1-177.9-74.4-26.1000111.8N97 T98 S103 V104 L105 A362N97-N101 VanDerWaalsContact O-CB 3.28Å; N97-N101 WeakPolarHBondContact O-CB 3.11Å; N97-N101 VanDerWaalsContact O-CG 3.22Å; N97-N101 PolarHBondContact O-N 2.96Å; N97-N101 PolarHBondContact O-ND2 2.75Å; T98-N101 PolarHBondContact O-N 3.12Å; N101-S103 VanDerWaalsContact C-N 3.33Å; N101-S103 PolarHBondContact O-N 3.35Å; N101-V104 PolarHBondContact O-N 3.35Å; N101-L105 WeakPolarHBondContact O-CB 3.07Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.49Å; N101-L105 PolarHBondContact O-N 2.96Å; N101-A362 HydrophobicContact CB-CB 3.67Å
102Y98.1Very high96.6Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-55.8-49.3173.4165.4-88.7000110.8V36 T98 H100 V104 L105 A106 L365 H366 T369V36-Y102 HydrophobicContact CB-CE1 4.37Å; V36-Y102 HydrophobicContact CB-CE2 4.47Å; V36-Y102 HydrophobicContact CG2-CD2 4.13Å; V36-Y102 HydrophobicContact CG2-CE1 4.24Å; V36-Y102 HydrophobicContact CG2-CE2 3.61Å; T98-Y102 VanDerWaalsContact O-CB 3.29Å; T98-Y102 WeakPolarHBondContact O-CB 3.39Å; T98-Y102 PolarHBondContact O-N 3.45Å; H100-Y102 PolarHBondContact O-N 2.9Å; Y102-V104 VanDerWaalsContact C-N 3.3Å; Y102-V104 PolarHBondContact O-N 3.42Å; Y102-L105 PolarHBondContact O-N 2.86Å; Y102-A106 HydrophobicContact CE1-CB 4.38Å; Y102-A106 HydrophobicContact CE2-CB 4.1Å; Y102-A106 VanDerWaalsContact O-CB 3.28Å; Y102-A106 WeakPolarHBondContact O-CB 3.33Å; Y102-A106 PolarHBondContact O-N 3.47Å; Y102-L365 HydrophobicContact CD2-CB 3.94Å; Y102-H366 HydrophobicContact CD2-CB 4.48Å; Y102-T369 WeakPolarHBondContact OH-CG2 3.44Å
103S97.4Very high96.8Very high2 Ų223.3 Ų23.31%0.01413%0.125CC..Hα-helixtrans-63.9-35.3-179.5-88.10000112.8M99 H100 N101 D107 D108 S110 R136 T137M99-S103 PolarHBondContact O-N 3.19Å; M99-S103 VanDerWaalsContact O-N 3.1Å; H100-S103 PolarHBondContact O-N 2.96Å; N101-S103 VanDerWaalsContact C-N 3.33Å; N101-S103 PolarHBondContact O-N 3.35Å; S103-D107 VanDerWaalsContact O-CA 3.23Å; S103-D107 WeakPolarHBondContact O-CA 3.43Å; S103-D107 PolarHBondContact O-N 3.3Å; S103-D108 PolarHBondContact OG-O 2.85Å; S103-S110 PolarHBondContact OG-N 3.49Å; S103-S110 PolarHBondContact OG-OG 3.04Å; S103-R136 PolarHBondContact OG-O 2.92Å; S103-T137 PolarHBondContact OG-OG1 3.07Å
104V96.4Very high97.1Very high82 Ų8223 Ų2350%0.49712%0.122SC..Hα-helixtrans-67.9-44.7174.6173.10000111.6H100 N101 Y102H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 2.93Å; N101-V104 PolarHBondContact O-N 3.35Å; Y102-V104 VanDerWaalsContact C-N 3.3Å; Y102-V104 PolarHBondContact O-N 3.42Å
105L95.6Very high97.2Very high78 Ų7821.9 Ų21.941%0.40812%0.115SC..Hα-helixtrans-67.7-49.2-179.5-70.9170.2000112N101 Y102 A362 A363N101-L105 WeakPolarHBondContact O-CB 3.07Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.49Å; N101-L105 PolarHBondContact O-N 2.96Å; Y102-L105 PolarHBondContact O-N 2.86Å; L105-A362 HydrophobicContact CD1-CB 4.01Å; L105-A363 HydrophobicContact CD1-CB 4.4Å
106A95.5Very high97.3Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-84.5-19.8-173.500000113.6M1 K2 Y102 D108M1-A106 HydrophobicContact CG-CB 4.05Å; M1-A106 HydrophobicContact SD-CB 4.46Å; K2-A106 PolarHBondContact N-O 2.98Å; Y102-A106 HydrophobicContact CE1-CB 4.38Å; Y102-A106 HydrophobicContact CE2-CB 4.1Å; Y102-A106 VanDerWaalsContact O-CB 3.28Å; Y102-A106 WeakPolarHBondContact O-CB 3.33Å; Y102-A106 PolarHBondContact O-N 3.47Å; A106-D108 HydrophobicContact CB-CB 4.16Å; A106-D108 PolarHBondContact O-N 3.49Å
107D94.7Very high97.3Very high69 Ų6923.4 Ų23.437%0.36912%0.123SC..SBendtrans49.740.8-168-168.322.7000111.7K2 S103 R136K2-D107 HydrophobicContact CD-CB 3.73Å; K2-D107 HydrophobicContact CG-CB 3.99Å; K2-D107 IonicContact NZ-OD2 2.78Å; S103-D107 VanDerWaalsContact O-CA 3.23Å; S103-D107 WeakPolarHBondContact O-CA 3.43Å; S103-D107 PolarHBondContact O-N 3.3Å; D107-R136 PolarHBondContact O-NH1 2.89Å; D107-R136 PolarHBondContact O-NH2 3.27Å; D107-R136 VanDerWaalsContact O-NH2 3.14Å; D107-R136 IonicContact OD1-CZ 2.76Å; D107-R136 IonicContact OD1-NH1 2.84Å; D107-R136 PolarHBondContact OD1-NH1 3.01Å
108D94.4Very high97.4Very high25 Ų2524.3 Ų24.313%0.13413%0.133CC..SBendtrans-137166.3-177.8-136.2-36.7000111.7M1 S103 A106 S110M1-D108 WeakPolarHBondContact CA-OD2 3.33Å; M1-D108 HydrophobicContact CB-CB 4.3Å; M1-D108 WeakPolarHBondContact CB-OD2 3.47Å; M1-D108 HydrophobicContact CG-CB 4.03Å; M1-D108 PolarHBondContact N-OD2 3.26Å; S103-D108 PolarHBondContact OG-O 2.85Å; A106-D108 HydrophobicContact CB-CB 4.16Å; A106-D108 PolarHBondContact O-N 3.49Å; D108-S110 PolarHBondContact O-N 3.3Å
109R97.3Very high97.4Very high60 Ų6030.9 Ų30.923%0.22617%0.168CC..  trans-69.6128-174.6-177.5174.4174.1-106.64.6111.1W35 V111 R136 D138 Y141W35-R109 HydrophobicContact CB-CB 4.49Å; W35-R109 VanDerWaalsContact CB-O 3.23Å; W35-R109 WeakPolarHBondContact CB-O 3.3Å; R109-V111 HydrophobicContact CG-CG2 4.41Å; R109-V111 VanDerWaalsContact NH2-CG2 3.3Å; R109-R136 WeakPolarHBondContact CA-O 3.4Å; R109-D138 HydrophobicContact CG-CB 4.23Å; R109-D138 IonicContact CZ-OD2 2.67Å; R109-D138 IonicContact NE-OD2 2.77Å; R109-D138 PolarHBondContact NE-OD2 3.04Å; R109-D138 IonicContact NH2-OD2 3.22Å; R109-D138 PolarHBondContact NH2-OD2 3.1Å; R109-Y141 VanDerWaalsContact NH2-CE2 3.31Å
110S98.4Very high97.3Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-107.4156.8153.153.20000109.3V36 M99 S103 D108 R136 T137 D138V36-S110 CarbonylContact O-C 3.55Å; V36-S110 WeakPolarHBondContact O-CA 3.27Å; M99-S110 PolarHBondContact O-OG 2.89Å; S103-S110 PolarHBondContact OG-N 3.49Å; S103-S110 PolarHBondContact OG-OG 3.04Å; D108-S110 PolarHBondContact O-N 3.3Å; S110-R136 PolarHBondContact N-O 3.25Å; S110-T137 PolarHBondContact OG-OG1 3.39Å; S110-D138 WeakPolarHBondContact O-CB 3.29Å; S110-D138 PolarHBondContact O-N 3.43Å
111V98.7Very high97.3Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-118.6127.6172.3-169.90000108.7V36 V37 G38 R109 L113 D138 Y141 V183V36-V111 PolarHBondContact O-N 3.1Å; V37-V111 WeakPolarHBondContact CA-O 3.35Å; V37-V111 HydrophobicContact CG1-CB 4.47Å; V37-V111 HydrophobicContact CG2-CB 4.24Å; G38-V111 PolarHBondContact N-O 3.38Å; R109-V111 HydrophobicContact CG-CG2 4.41Å; R109-V111 VanDerWaalsContact NH2-CG2 3.3Å; V111-L113 HydrophobicContact CG1-CD2 4.37Å; V111-D138 HydrophobicContact CG2-CB 4.29Å; V111-Y141 HydrophobicContact CG1-CD2 3.7Å; V111-Y141 HydrophobicContact CG1-CE2 4.46Å; V111-Y141 HydrophobicContact CG1-CG 4.18Å; V111-V183 HydrophobicContact CB-CG1 4.01Å; V111-V183 HydrophobicContact CG1-CG1 3.91Å; V111-V183 HydrophobicContact CG2-CG1 4Å
112L98.8Very high97.3Very high1 Ų144 Ų441%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-103.1128.7175.6-172.467.4000109.8D40 I95 M99 Y129 T137 D138 L139 L142D40-L112 HydrophobicContact CB-CD1 3.97Å; I95-L112 HydrophobicContact CG2-CD1 4.32Å; M99-L112 HydrophobicContact CG-CD1 4.07Å; L112-Y129 HydrophobicContact CD2-CE1 4.35Å; L112-Y129 WeakPolarHBondContact CD2-OH 3.3Å; L112-T137 HydrophobicContact CB-CG2 4.24Å; L112-D138 PolarHBondContact N-O 2.89Å; L112-L139 HydrophobicContact CB-CD2 3.73Å; L112-L139 HydrophobicContact CD2-CD2 3.78Å; L112-L139 HydrophobicContact CG-CD2 4.35Å; L112-L142 HydrophobicContact CG-CD2 4.35Å; L112-L142 WeakPolarHBondContact O-CD2 3.32Å
113L98.8Very high97.2Very high1 Ų146.3 Ų46.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-104.8142.3169.7-53.1-178.6000108.7V37 G38 I39 D40 V111 I179 P180V37-L113 HydrophobicContact CG1-CD1 3.88Å; V37-L113 HydrophobicContact CG1-CG 3.98Å; G38-L113 PolarHBondContact O-N 2.69Å; I39-L113 WeakPolarHBondContact CA-O 3.38Å; I39-L113 HydrophobicContact CG1-CB 4.12Å; I39-L113 HydrophobicContact CG1-CD1 4.16Å; D40-L113 PolarHBondContact N-O 3.28Å; V111-L113 HydrophobicContact CG1-CD2 4.37Å; L113-I179 HydrophobicContact CD1-CD1 4.06Å; L113-I179 HydrophobicContact CD1-CG2 4.49Å; L113-P180 HydrophobicContact CD2-CG 3.78Å
114G98.7Very high97.1Very high0 Ų048 Ų480%027%0.268CS..SBendtrans161.4-159.5-170.600000109.6Q143G114-Q143 PolarHBondContact O-N 3.49Å
115V98.7Very high97.1Very high0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-112.8161.3-179.4-59.90000111.8T42 Q143 V145 H170 L174T42-V115 VanDerWaalsContact CB-O 3.29Å; T42-V115 WeakPolarHBondContact CB-O 3.2Å; T42-V115 WeakPolarHBondContact CG2-O 3.48Å; T42-V115 PolarHBondContact OG1-N 2.66Å; T42-V115 VanDerWaalsContact OG1-N 3.1Å; T42-V115 PolarHBondContact OG1-O 3.14Å; V115-Q143 CarbonylContact C-O 3.54Å; V115-Q143 VanDerWaalsContact CA-O 3.27Å; V115-Q143 WeakPolarHBondContact CA-O 3.44Å; V115-V145 HydrophobicContact CB-CG1 3.81Å; V115-V145 HydrophobicContact CB-CG2 4.01Å; V115-V145 HydrophobicContact CG1-CG1 3.7Å; V115-V145 HydrophobicContact CG2-CG2 4.33Å; V115-H170 WeakPolarHBondContact CG2-O 3.45Å; V115-L174 HydrophobicContact CG1-CB 4.2Å
116M98.6Very high97.2Very high15 Ų1542.5 Ų42.57%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-148.9147.5168.8-170.852.758.300109.8T42 S118 I120 A126 Y129 L130 L142 Q143 G144 V145 I149T42-M116 HydrophobicContact CG2-CE 3.88Å; M116-S118 PolarHBondContact O-N 3.13Å; M116-I120 HydrophobicContact CG-CD1 3.85Å; M116-I120 HydrophobicContact SD-CD1 4.22Å; M116-A126 HydrophobicContact SD-CB 3.77Å; M116-Y129 HydrophobicContact CE-CD1 3.64Å; M116-Y129 HydrophobicContact CE-CE1 4.21Å; M116-Y129 HydrophobicContact CE-CG 4.29Å; M116-L130 HydrophobicContact CE-CD2 3.95Å; M116-L130 HydrophobicContact SD-CD2 4.41Å; M116-L142 HydrophobicContact CB-CB 4.05Å; M116-L142 HydrophobicContact CB-CD1 4.01Å; M116-L142 HydrophobicContact CE-CD1 3.61Å; M116-Q143 PolarHBondContact N-O 3.39Å; M116-G144 CarbonylContact O-C 3.51Å; M116-G144 WeakPolarHBondContact O-CA 3.49Å; M116-V145 WeakPolarHBondContact O-CG2 3.48Å; M116-V145 PolarHBondContact O-N 2.78Å; M116-I149 HydrophobicContact SD-CG2 4.21Å
117C98Very high97.3Very high24 Ų2447 Ų4716%0.16225%0.251CS..EExtended strand (participates in β ladder)trans-56.4130.3174.9-60.10000110.3N119 I120 A126 G147C117-N119 PolarHBondContact O-N 3.23Å; C117-I120 HydrophobicContact CB-CG1 4.38Å; C117-I120 WeakPolarHBondContact O-CG1 3.29Å; C117-A126 HydrophobicContact CB-CB 4.04Å; C117-G147 PolarHBondContact SG-O 2.99Å; C117-G147 VanDerWaalsContact SG-O 3.38Å
118S97.4Very high97.4Very high60 Ų6047.6 Ų47.642%0.4225%0.248SC..SBendtrans-58.3-34.9177.2-56.80000112.2M116 V145 D146M116-S118 PolarHBondContact O-N 3.13Å; S118-V145 PolarHBondContact N-O 3.06Å; S118-V145 PolarHBondContact OG-N 2.83Å; S118-V145 PolarHBondContact OG-O 2.87Å; S118-D146 WeakPolarHBondContact CB-OD1 3.39Å; S118-D146 PolarHBondContact OG-OD1 3.01Å
119N96.6Very high97.5Very high137 Ų13746.5 Ų46.573%0.73324%0.242SC*.SBendtrans-120.3122177.1-60.3-63.9000109.3C117C117-N119 PolarHBondContact O-N 3.23Å
120I97.7Very high97.4Very high65 Ų6546.9 Ų46.933%0.33325%0.249SC..  trans-111.9111-174.3-56.3178.4000109.7M116 C117 A126 Y127 L130M116-I120 HydrophobicContact CG-CD1 3.85Å; M116-I120 HydrophobicContact SD-CD1 4.22Å; C117-I120 HydrophobicContact CB-CG1 4.38Å; C117-I120 WeakPolarHBondContact O-CG1 3.29Å; I120-A126 HydrophobicContact CG1-CB 4.34Å; I120-A126 HydrophobicContact CG2-CB 4.21Å; I120-Y127 HydrophobicContact CG2-CD2 4.3Å; I120-L130 HydrophobicContact CD1-CD1 3.47Å; I120-L130 VanDerWaalsContact CD1-CD1 3.47Å; I120-L130 HydrophobicContact CD1-CG 4.43Å
121E96.7Very high97.3Very high156 Ų15650.4 Ų50.473%0.72927%0.273SS*.  trans-83.8142.5174.2-64.3-178.1-167.100111.4G123 S124 Y127E121-G123 PolarHBondContact O-N 2.85Å; E121-S124 WeakPolarHBondContact O-CB 3.31Å; E121-S124 PolarHBondContact O-N 3.36Å; E121-S124 VanDerWaalsContact O-N 3.13Å; E121-S124 PolarHBondContact O-OG 3.34Å; E121-Y127 VanDerWaalsContact O-CB 3.31Å; E121-Y127 WeakPolarHBondContact O-CB 3.43Å
122I97.1Very high97.1Very high148 Ų14852 Ų5276%0.75928%0.281SS*.THydrogen-bonded Turntrans-60.7130.5177.2-63.8176.3000109.6S124 Y127I122-S124 VanDerWaalsContact C-N 3.3Å; I122-Y127 HydrophobicContact CG1-CD2 4.49Å; I122-Y127 HydrophobicContact CG1-CE2 4.23Å
123G95Very high96.9Very high50 Ų5052.9 Ų52.952%0.51529%0.287SS..THydrogen-bonded Turntrans86.1-7.2-179.600000114.9E121E121-G123 PolarHBondContact O-N 2.85Å
124S96Very high96.7Very high37 Ų3753.7 Ų53.726%0.25929%0.292SS..SBendtrans-66.2166.6173.569.20000112.8E121 I122 A126 Y127 R128E121-S124 WeakPolarHBondContact O-CB 3.31Å; E121-S124 PolarHBondContact O-N 3.36Å; E121-S124 VanDerWaalsContact O-N 3.13Å; E121-S124 PolarHBondContact O-OG 3.34Å; I122-S124 VanDerWaalsContact C-N 3.3Å; S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 2.98Å; S124-Y127 WeakPolarHBondContact O-CB 3.36Å; S124-Y127 PolarHBondContact O-N 3.23Å; S124-Y127 WeakPolarHBondContact OG-CB 3.42Å; S124-Y127 PolarHBondContact OG-N 2.87Å; S124-Y127 VanDerWaalsContact OG-N 3.14Å; S124-R128 WeakPolarHBondContact O-CB 3.12Å; S124-R128 PolarHBondContact O-N 3.42Å
125Y96.5Very high96.5Very high41 Ų4159.3 Ų59.316%0.16133%0.332CS..Hα-helixtrans-62-39.6173.8-74.8-56.3000112.8V44 I46 Y77 Q89 R128 Y129 R151V44-Y125 HydrophobicContact CB-CD1 4.2Å; V44-Y125 HydrophobicContact CG1-CD1 3.64Å; V44-Y125 HydrophobicContact CG1-CE1 4.1Å; V44-Y125 HydrophobicContact CG2-CD1 4.47Å; I46-Y125 HydrophobicContact CD1-CE1 3.88Å; I46-Y125 HydrophobicContact CD1-CE2 4.36Å; I46-Y125 WeakPolarHBondContact CD1-OH 3.23Å; I46-Y125 HydrophobicContact CG1-CE1 4.09Å; Y77-Y125 WeakPolarHBondContact CE2-OH 3.33Å; Y77-Y125 VanDerWaalsContact CZ-OH 3.25Å; Y77-Y125 PolarHBondContact OH-OH 3.3Å; Q89-Y125 PolarHBondContact OE1-OH 3.11Å; Y125-R128 PolarHBondContact O-N 3.42Å; Y125-Y129 PolarHBondContact O-N 2.82Å; Y125-R151 HydrophobicContact CD2-CG 4.46Å
126A97.1Very high96.4Very high3 Ų363.8 Ų63.83%0.02535%0.349CS..Hα-helixtrans-61.2-45.4173.400000111.7M116 C117 I120 S124 R128 Y129 L130 I149M116-A126 HydrophobicContact SD-CB 3.77Å; C117-A126 HydrophobicContact CB-CB 4.04Å; I120-A126 HydrophobicContact CG1-CB 4.34Å; I120-A126 HydrophobicContact CG2-CB 4.21Å; S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 2.98Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.37Å; A126-Y129 WeakPolarHBondContact O-CB 3.4Å; A126-Y129 PolarHBondContact O-N 3.25Å; A126-L130 WeakPolarHBondContact O-CG 3.44Å; A126-L130 PolarHBondContact O-N 3.27Å; A126-I149 HydrophobicContact CB-CD1 4.44Å
127Y97.3Very high96.4Very high94 Ų9463.6 Ų63.637%0.36935%0.348SS..Hα-helixtrans-59.6-45175.4-178.4-90.5000111.8I120 E121 I122 S124 Y129 L130 C131I120-Y127 HydrophobicContact CG2-CD2 4.3Å; E121-Y127 VanDerWaalsContact O-CB 3.31Å; E121-Y127 WeakPolarHBondContact O-CB 3.43Å; I122-Y127 HydrophobicContact CG1-CD2 4.49Å; I122-Y127 HydrophobicContact CG1-CE2 4.23Å; S124-Y127 WeakPolarHBondContact O-CB 3.36Å; S124-Y127 PolarHBondContact O-N 3.23Å; S124-Y127 WeakPolarHBondContact OG-CB 3.42Å; S124-Y127 PolarHBondContact OG-N 2.87Å; S124-Y127 VanDerWaalsContact OG-N 3.14Å; Y127-Y129 PolarHBondContact O-N 2.91Å; Y127-L130 PolarHBondContact O-N 2.93Å; Y127-C131 WeakPolarHBondContact CE1-SG 3.31Å; Y127-C131 VanDerWaalsContact CZ-SG 3.6Å; Y127-C131 PolarHBondContact O-N 3.1Å; Y127-C131 PolarHBondContact O-SG 3.44Å; Y127-C131 VanDerWaalsContact O-SG 3.38Å
128R96.6Very high96.4Very high82 Ų8263.7 Ų63.731%0.30935%0.347SS..Hα-helixtrans-60.5-43.6177.2-175.8177.2-56.6-73.9-6.5112S124 Y125 A126 L130 C131 N132S124-R128 WeakPolarHBondContact O-CB 3.12Å; S124-R128 PolarHBondContact O-N 3.42Å; Y125-R128 PolarHBondContact O-N 3.42Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.37Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 2.87Å; R128-C131 PolarHBondContact O-N 3.47Å; R128-N132 WeakPolarHBondContact CG-OD1 3.38Å; R128-N132 WeakPolarHBondContact O-CB 3.49Å; R128-N132 VanDerWaalsContact O-CG 3.25Å; R128-N132 PolarHBondContact O-N 2.82Å; R128-N132 PolarHBondContact O-OD1 3.21Å
129Y97.4Very high96.4Very high2 Ų262.3 Ų62.31%0.00834%0.335CS..Hα-helixtrans-55.7-48177.1-170.4-85.7000111.4T42 L43 V44 A91 L112 M116 Y125 A126 Y127 N132 T133 L139 I149T42-Y129 HydrophobicContact CG2-CD1 4.15Å; T42-Y129 HydrophobicContact CG2-CD2 4.09Å; T42-Y129 HydrophobicContact CG2-CE1 3.91Å; T42-Y129 HydrophobicContact CG2-CE2 3.86Å; T42-Y129 HydrophobicContact CG2-CG 4.23Å; L43-Y129 VanDerWaalsContact O-CD2 3.23Å; L43-Y129 WeakPolarHBondContact O-CD2 3.27Å; L43-Y129 WeakPolarHBondContact O-CE2 3.32Å; V44-Y129 HydrophobicContact CG2-CD2 4.06Å; A91-Y129 HydrophobicContact CB-CD2 3.76Å; A91-Y129 HydrophobicContact CB-CE2 3.9Å; A91-Y129 HydrophobicContact CB-CG 4.29Å; L112-Y129 HydrophobicContact CD2-CE1 4.35Å; L112-Y129 WeakPolarHBondContact CD2-OH 3.3Å; M116-Y129 HydrophobicContact CE-CD1 3.64Å; M116-Y129 HydrophobicContact CE-CE1 4.21Å; M116-Y129 HydrophobicContact CE-CG 4.29Å; Y125-Y129 PolarHBondContact O-N 2.82Å; A126-Y129 WeakPolarHBondContact O-CB 3.4Å; A126-Y129 PolarHBondContact O-N 3.25Å; Y127-Y129 PolarHBondContact O-N 2.91Å; Y129-N132 PolarHBondContact O-N 3.39Å; Y129-T133 WeakPolarHBondContact O-CB 3.32Å; Y129-T133 PolarHBondContact O-N 3.35Å; Y129-T133 PolarHBondContact O-OG1 3.21Å; Y129-L139 HydrophobicContact CD1-CD1 4.39Å; Y129-L139 HydrophobicContact CE1-CD1 4.24Å; Y129-I149 HydrophobicContact CD2-CD1 4.42Å; Y129-I149 HydrophobicContact CG-CD1 4.36Å
130L96.1Very high96.5Very high69 Ų6962.6 Ų62.636%0.36134%0.336SS..Hα-helixtrans-62.1-45.5177-62.2-175.3000112.3M116 I120 A126 Y127 R128 N132 L139M116-L130 HydrophobicContact CE-CD2 3.95Å; M116-L130 HydrophobicContact SD-CD2 4.41Å; I120-L130 HydrophobicContact CD1-CD1 3.47Å; I120-L130 VanDerWaalsContact CD1-CD1 3.47Å; I120-L130 HydrophobicContact CD1-CG 4.43Å; A126-L130 WeakPolarHBondContact O-CG 3.44Å; A126-L130 PolarHBondContact O-N 3.27Å; Y127-L130 PolarHBondContact O-N 2.93Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 2.87Å; L130-N132 VanDerWaalsContact C-N 3.29Å; L130-N132 PolarHBondContact O-N 3.29Å; L130-L139 HydrophobicContact CD2-CD1 3.53Å
131C95.9Very high96.6Very high74 Ų7463.4 Ų63.450%0.534%0.336SS..Hα-helixtrans-68.4-25.2-179.4-67.60000114Y127 R128Y127-C131 WeakPolarHBondContact CE1-SG 3.31Å; Y127-C131 VanDerWaalsContact CZ-SG 3.6Å; Y127-C131 PolarHBondContact O-N 3.1Å; Y127-C131 PolarHBondContact O-SG 3.44Å; Y127-C131 VanDerWaalsContact O-SG 3.38Å; R128-C131 PolarHBondContact O-N 3.47Å
132N94.6Very high96.6Very high34 Ų3457.1 Ų57.118%0.18231%0.307CS..Hα-helixtrans-96.2-19.1-177.2-67.2163.7000113.2F90 A91 H100 R128 Y129 L130F90-N132 HydrophobicContact CD1-CB 4.34Å; F90-N132 HydrophobicContact CD2-CB 3.87Å; F90-N132 WeakPolarHBondContact CD2-OD1 3.32Å; F90-N132 HydrophobicContact CE1-CB 4.1Å; F90-N132 HydrophobicContact CE2-CB 3.61Å; F90-N132 HydrophobicContact CG-CB 4.23Å; F90-N132 HydrophobicContact CZ-CB 3.73Å; A91-N132 HydrophobicContact CB-CB 4Å; H100-N132 PolarHBondContact CE1-O 3.2Å; R128-N132 WeakPolarHBondContact CG-OD1 3.38Å; R128-N132 WeakPolarHBondContact O-CB 3.49Å; R128-N132 VanDerWaalsContact O-CG 3.25Å; R128-N132 PolarHBondContact O-N 2.82Å; R128-N132 PolarHBondContact O-OD1 3.21Å; Y129-N132 PolarHBondContact O-N 3.39Å; L130-N132 VanDerWaalsContact C-N 3.29Å; L130-N132 PolarHBondContact O-N 3.29Å
133T94.3Very high96.7Very high19 Ų1950.6 Ų50.612%0.11727%0.273CS..SBendtrans-67.3142.3175.3-62.10000111Y129 S135 T137 L139Y129-T133 WeakPolarHBondContact O-CB 3.32Å; Y129-T133 PolarHBondContact O-N 3.35Å; Y129-T133 PolarHBondContact O-OG1 3.21Å; T133-S135 PolarHBondContact O-N 2.91Å; T133-T137 HydrophobicContact CG2-CG2 3.77Å; T133-L139 HydrophobicContact CG2-CD1 3.86Å; T133-L139 HydrophobicContact CG2-CD2 4.14Å; T133-L139 HydrophobicContact CG2-CG 4.14Å
134S94Very high96.9Very high17 Ų1750.2 Ų50.212%0.11927%0.27CS..  trans-57.8139179.9177.50000110.6H100 R136 T137H100-S134 PolarHBondContact CE1-N 2.8Å; H100-S134 PolarHBondContact ND1-N 2.87Å; H100-S134 VanDerWaalsContact ND1-N 3.11Å; S134-R136 PolarHBondContact O-N 3.33Å; S134-T137 WeakPolarHBondContact O-CB 3.23Å; S134-T137 PolarHBondContact O-N 3.22Å
135S95.4Very high97Very high119 Ų11949 Ų4983%0.83226%0.26SS*.THydrogen-bonded Turntrans-62.2-15.5-177.358.90000114.4T133T133-S135 PolarHBondContact O-N 2.91Å
136R96.3Very high97.1Very high94 Ų9453.7 Ų53.736%0.35529%0.288SS..THydrogen-bonded Turntrans-100.9-3.7177.4-53.4-61.6-66.8-78.1-6.4113S103 D107 R109 S110 S134S103-R136 PolarHBondContact OG-O 2.92Å; D107-R136 PolarHBondContact O-NH1 2.89Å; D107-R136 PolarHBondContact O-NH2 3.27Å; D107-R136 VanDerWaalsContact O-NH2 3.14Å; D107-R136 IonicContact OD1-CZ 2.76Å; D107-R136 IonicContact OD1-NH1 2.84Å; D107-R136 PolarHBondContact OD1-NH1 3.01Å; R109-R136 WeakPolarHBondContact CA-O 3.4Å; S110-R136 PolarHBondContact N-O 3.25Å; S134-R136 PolarHBondContact O-N 3.33Å
137T98.1Very high97Very high11 Ų1154.4 Ų54.47%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-84.9113.5170.6-58.80000108.6M99 S103 S110 L112 T133 S134 L139M99-T137 HydrophobicContact CB-CG2 4.28Å; M99-T137 PolarHBondContact O-OG1 3.49Å; S103-T137 PolarHBondContact OG-OG1 3.07Å; S110-T137 PolarHBondContact OG-OG1 3.39Å; L112-T137 HydrophobicContact CB-CG2 4.24Å; T133-T137 HydrophobicContact CG2-CG2 3.77Å; S134-T137 WeakPolarHBondContact O-CB 3.23Å; S134-T137 PolarHBondContact O-N 3.22Å; T137-L139 HydrophobicContact CG2-CD2 3.99Å; T137-L139 PolarHBondContact O-N 3.29Å
138D98.2Very high97Very high26 Ų2653.6 Ų53.614%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-80.4116.3-177.2-169.8-9.7000110.8R109 S110 V111 L112 N140R109-D138 HydrophobicContact CG-CB 4.23Å; R109-D138 IonicContact CZ-OD2 2.67Å; R109-D138 IonicContact NE-OD2 2.77Å; R109-D138 PolarHBondContact NE-OD2 3.04Å; R109-D138 IonicContact NH2-OD2 3.22Å; R109-D138 PolarHBondContact NH2-OD2 3.1Å; S110-D138 WeakPolarHBondContact O-CB 3.29Å; S110-D138 PolarHBondContact O-N 3.43Å; V111-D138 HydrophobicContact CG2-CB 4.29Å; L112-D138 PolarHBondContact N-O 2.89Å; D138-N140 VanDerWaalsContact OD1-CB 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.4Å; D138-N140 PolarHBondContact OD1-N 3.34Å; D138-N140 PolarHBondContact OD1-ND2 2.93Å
139L98.4Very high97Very high30 Ų3049.9 Ų49.916%0.15729%0.288CS..  trans-105.95.6-180-57.9-172.2000113L112 Y129 L130 T133 T137 Y141 L142L112-L139 HydrophobicContact CB-CD2 3.73Å; L112-L139 HydrophobicContact CD2-CD2 3.78Å; L112-L139 HydrophobicContact CG-CD2 4.35Å; Y129-L139 HydrophobicContact CD1-CD1 4.39Å; Y129-L139 HydrophobicContact CE1-CD1 4.24Å; L130-L139 HydrophobicContact CD2-CD1 3.53Å; T133-L139 HydrophobicContact CG2-CD1 3.86Å; T133-L139 HydrophobicContact CG2-CD2 4.14Å; T133-L139 HydrophobicContact CG2-CG 4.14Å; T137-L139 HydrophobicContact CG2-CD2 3.99Å; T137-L139 PolarHBondContact O-N 3.29Å; L139-Y141 PolarHBondContact O-N 3.25Å; L139-L142 HydrophobicContact CB-CD1 3.92Å; L139-L142 HydrophobicContact CB-CG 4.26Å; L139-L142 HydrophobicContact CD1-CD1 4.44Å; L139-L142 HydrophobicContact CD2-CD1 4.14Å; L139-L142 HydrophobicContact CG-CD1 4.4Å; L139-L142 WeakPolarHBondContact O-CG 3.48Å; L139-L142 PolarHBondContact O-N 3.14Å
140N98.2Very high97Very high143 Ų14349.8 Ų49.877%0.76529%0.288SS*.THydrogen-bonded Turntrans-69.3-13-176.9-65.3-60.7000113.4D138D138-N140 VanDerWaalsContact OD1-CB 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.4Å; D138-N140 PolarHBondContact OD1-N 3.34Å; D138-N140 PolarHBondContact OD1-ND2 2.93Å
141Y98.5Very high97.1Very high82 Ų8248.2 Ų48.232%0.32228%0.277SS..THydrogen-bonded Turntrans-1008179.7-65.3-89.2000113.1R109 V111 L139 P180 V183R109-Y141 VanDerWaalsContact NH2-CE2 3.31Å; V111-Y141 HydrophobicContact CG1-CD2 3.7Å; V111-Y141 HydrophobicContact CG1-CE2 4.46Å; V111-Y141 HydrophobicContact CG1-CG 4.18Å; L139-Y141 PolarHBondContact O-N 3.25Å; Y141-P180 HydrophobicContact CD1-CB 3.81Å; Y141-P180 HydrophobicContact CD1-CG 3.68Å; Y141-P180 HydrophobicContact CE1-CB 4.04Å; Y141-P180 HydrophobicContact CE1-CG 4.31Å; Y141-P180 HydrophobicContact CG-CG 4.26Å; Y141-V183 HydrophobicContact CD1-CG2 3.98Å; Y141-V183 HydrophobicContact CD2-CG2 4.45Å; Y141-V183 HydrophobicContact CE1-CG2 3.49Å; Y141-V183 VanDerWaalsContact CE1-CG2 3.49Å; Y141-V183 HydrophobicContact CE2-CG2 4.05Å; Y141-V183 HydrophobicContact CG-CG2 4.41Å
142L98.6Very high97.2Very high25 Ų2545 Ų4513%0.13126%0.255CS..PPolyproline II helixtrans-69.1140.8171.9-64.6-178.7000110.7L112 M116 L139L112-L142 HydrophobicContact CG-CD2 4.35Å; L112-L142 WeakPolarHBondContact O-CD2 3.32Å; M116-L142 HydrophobicContact CB-CB 4.05Å; M116-L142 HydrophobicContact CB-CD1 4.01Å; M116-L142 HydrophobicContact CE-CD1 3.61Å; L139-L142 HydrophobicContact CB-CD1 3.92Å; L139-L142 HydrophobicContact CB-CG 4.26Å; L139-L142 HydrophobicContact CD1-CD1 4.44Å; L139-L142 HydrophobicContact CD2-CD1 4.14Å; L139-L142 HydrophobicContact CG-CD1 4.4Å; L139-L142 WeakPolarHBondContact O-CG 3.48Å; L139-L142 PolarHBondContact O-N 3.14Å
143Q98.7Very high97.3Very high11 Ų1143.4 Ų43.45%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-83.2131.4178.5-172.1-161.9-89.300111.1G114 V115 M116 Q173 L174 S178G114-Q143 PolarHBondContact O-N 3.49Å; V115-Q143 CarbonylContact C-O 3.54Å; V115-Q143 VanDerWaalsContact CA-O 3.27Å; V115-Q143 WeakPolarHBondContact CA-O 3.44Å; M116-Q143 PolarHBondContact N-O 3.39Å; Q143-Q173 PolarHBondContact NE2-O 2.94Å; Q143-L174 HydrophobicContact CB-CD1 4Å; Q143-S178 WeakPolarHBondContact CG-OG 3.39Å; Q143-S178 PolarHBondContact OE1-OG 2.9Å
144G98.4Very high97.4Very high42 Ų4242.6 Ų42.643%0.43324%0.242SC..EExtended strand (participates in β ladder)trans-62137.4170.600000112.8M116M116-G144 CarbonylContact O-C 3.51Å; M116-G144 WeakPolarHBondContact O-CA 3.49Å
145V98.4Very high97.5Very high10 Ų1041.8 Ų41.86%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-135.2146.5172.4-64.90000111.6V115 M116 S118 G147 H170 Q173V115-V145 HydrophobicContact CB-CG1 3.81Å; V115-V145 HydrophobicContact CB-CG2 4.01Å; V115-V145 HydrophobicContact CG1-CG1 3.7Å; V115-V145 HydrophobicContact CG2-CG2 4.33Å; M116-V145 WeakPolarHBondContact O-CG2 3.48Å; M116-V145 PolarHBondContact O-N 2.78Å; S118-V145 PolarHBondContact N-O 3.06Å; S118-V145 PolarHBondContact OG-N 2.83Å; S118-V145 PolarHBondContact OG-O 2.87Å; V145-G147 VanDerWaalsContact C-N 3.25Å; V145-G147 PolarHBondContact O-N 2.69Å; V145-H170 HydrophobicContact CB-CB 4.13Å; V145-H170 HydrophobicContact CG1-CB 4.47Å; V145-H170 HydrophobicContact CG2-CB 3.96Å; V145-Q173 HydrophobicContact CG1-CB 3.97Å
146D97.6Very high97.4Very high141 Ų14137.4 Ų37.475%0.75420%0.203SC*.SBendtrans-93.750.4177.4-65.5-15.8000111.2S118S118-D146 WeakPolarHBondContact CB-OD1 3.39Å; S118-D146 PolarHBondContact OG-OD1 3.01Å
147G96.1Very high97.1Very high17 Ų1733.5 Ų33.518%0.17519%0.192CC..SBendtrans-163.7170.117900000110.9C117 V145C117-G147 PolarHBondContact SG-O 2.99Å; C117-G147 VanDerWaalsContact SG-O 3.38Å; V145-G147 VanDerWaalsContact C-N 3.25Å; V145-G147 PolarHBondContact O-N 2.69Å
148P96.5Very high96.5Very high77 Ų7741.3 Ų41.350%0.523%0.228SC..PPolyproline II helixtrans-69.8148.7-179.829.9-34.3000111.3H170P148-H170 PolarHBondContact O-N 3.12Å
149I97.9Very high95.7Very high5 Ų544.8 Ų44.83%0.02625%0.254CS..PPolyproline II helixtrans-65.1166.7162.863171.3000110.7T42 V44 M116 A126 Y129T42-I149 HydrophobicContact CG2-CB 4.16Å; T42-I149 HydrophobicContact CG2-CD1 4.17Å; T42-I149 HydrophobicContact CG2-CG2 3.95Å; V44-I149 HydrophobicContact CG2-CD1 3.68Å; M116-I149 HydrophobicContact SD-CG2 4.21Å; A126-I149 HydrophobicContact CB-CD1 4.44Å; Y129-I149 HydrophobicContact CD2-CD1 4.42Å; Y129-I149 HydrophobicContact CG-CD1 4.36Å
150G97.5Very high95Very high0 Ų045.6 Ų45.60%027%0.27CS..EExtended strand (participates in β ladder)trans-65.9152.1-179.800000112.7T42 L43 V44 S167 P168T42-G150 WeakPolarHBondContact O-CA 3.23Å; T42-G150 PolarHBondContact O-N 3.01Å; L43-G150 WeakPolarHBondContact CA-O 3.29Å; V44-G150 PolarHBondContact N-O 2.69Å; G150-S167 WeakPolarHBondContact CA-O 3.43Å; G150-P168 WeakPolarHBondContact CA-O 3.33Å
151R97.8Very high94.3Very high36 Ų3643 Ų4314%0.13625%0.253CS..EExtended strand (participates in β ladder)trans-121.6127.7171.4-59.9173.4-67.6175.11.2109.1I46 E74 Y125 F153 S167I46-R151 HydrophobicContact CD1-CB 4.28Å; I46-R151 HydrophobicContact CD1-CG 4.46Å; E74-R151 IonicContact OE2-NH1 2.76Å; Y125-R151 HydrophobicContact CD2-CG 4.46Å; R151-F153 HydrophobicContact CB-CE2 4.37Å; R151-F153 HydrophobicContact CB-CZ 4.43Å; R151-S167 PolarHBondContact N-O 3.17Å; R151-S167 PolarHBondContact NH2-OG 3.04Å; R151-S167 PolarHBondContact O-N 3.24Å
152C97.5Very high93.9Very high6 Ų640 Ų404%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-105.3111.3171.2176.90000108.8L43 V44 D45 I46 T154 I166L43-C152 HydrophobicContact CD2-CB 4.24Å; V44-C152 PolarHBondContact O-N 3.17Å; D45-C152 CarbonylContact C-O 3.26Å; D45-C152 WeakPolarHBondContact CA-O 3.49Å; D45-C152 VanDerWaalsContact OD1-CB 3.31Å; D45-C152 WeakPolarHBondContact OD1-CB 3.39Å; I46-C152 PolarHBondContact N-O 2.92Å; C152-T154 PolarHBondContact O-N 3.4Å; C152-I166 HydrophobicContact CB-CD1 3.7Å; C152-I166 VanDerWaalsContact SG-CD1 3.51Å
153F97.7Very high93.6Very high0 Ų039 Ų390%024%0.236CC..EExtended strand (participates in β ladder)trans-82.8104.2169.2-57.2-80.4000108.2I46 I68 A73 L76 Y77 L80 R151 L155 F164 A165I46-F153 HydrophobicContact CB-CD1 4Å; I46-F153 HydrophobicContact CB-CE1 4.41Å; I46-F153 HydrophobicContact CD1-CD1 4Å; I46-F153 HydrophobicContact CD1-CE1 3.58Å; I46-F153 HydrophobicContact CD1-CZ 4.24Å; I46-F153 HydrophobicContact CG2-CD1 4.11Å; I46-F153 HydrophobicContact CG2-CE1 4.42Å; I46-F153 WeakPolarHBondContact O-CA 3.38Å; I68-F153 HydrophobicContact CD1-CD2 4.37Å; A73-F153 HydrophobicContact CB-CE2 4.18Å; L76-F153 HydrophobicContact CD2-CB 3.91Å; L76-F153 HydrophobicContact CD2-CD1 3.5Å; L76-F153 VanDerWaalsContact CD2-CD1 3.5Å; L76-F153 HydrophobicContact CD2-CD2 3.97Å; L76-F153 HydrophobicContact CD2-CE1 3.94Å; L76-F153 HydrophobicContact CD2-CE2 4.37Å; L76-F153 HydrophobicContact CD2-CG 3.51Å; L76-F153 HydrophobicContact CD2-CZ 4.35Å; Y77-F153 AromaticContact CD2-CE1 3.91Å; Y77-F153 HydrophobicContact CD2-CE1 3.91Å; Y77-F153 HydrophobicContact CD2-CZ 4.48Å; Y77-F153 HydrophobicContact CG-CE1 4.28Å; Y77-F153 HydrophobicContact CG-CZ 4.44Å; L80-F153 HydrophobicContact CD1-CD1 3.96Å; R151-F153 HydrophobicContact CB-CE2 4.37Å; R151-F153 HydrophobicContact CB-CZ 4.43Å; F153-L155 HydrophobicContact CB-CD2 4.25Å; F153-L155 HydrophobicContact CB-CG 4.49Å; F153-L155 PolarHBondContact O-N 3.31Å; F153-F164 WeakPolarHBondContact O-CA 3.2Å; F153-A165 HydrophobicContact CB-CB 4.22Å; F153-A165 HydrophobicContact CD2-CB 4.47Å; F153-A165 WeakPolarHBondContact CD2-O 3.24Å; F153-A165 PolarHBondContact N-O 3.16Å; F153-A165 PolarHBondContact O-N 2.92Å
154T95.9Very high93.4Very high3 Ų340 Ų402%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-88.899.1178.3-60.10000108.3I46 E47 A48 C152 F164I46-T154 PolarHBondContact O-N 2.89Å; E47-T154 WeakPolarHBondContact CA-O 3.49Å; E47-T154 HydrophobicContact CG-CG2 4.28Å; A48-T154 PolarHBondContact N-O 3.36Å; C152-T154 PolarHBondContact O-N 3.4Å; T154-F164 HydrophobicContact CG2-CD1 4.06Å; T154-F164 HydrophobicContact CG2-CE1 3.76Å
155L96Very high93.4Very high0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans-96.6119.4-175.5-54.4-178.3000109.7A48 V50 F54 I55 L60 L76 L80 F153 T163A48-L155 HydrophobicContact CB-CD2 4.43Å; A48-L155 WeakPolarHBondContact O-CA 3.45Å; V50-L155 HydrophobicContact CG1-CD2 4.08Å; V50-L155 HydrophobicContact CG2-CB 3.84Å; F54-L155 HydrophobicContact CD1-CD1 4.01Å; F54-L155 HydrophobicContact CE1-CD1 3.93Å; F54-L155 HydrophobicContact CE1-CD2 4.18Å; I55-L155 HydrophobicContact CD1-CB 3.7Å; I55-L155 HydrophobicContact CD1-CD1 3.69Å; I55-L155 HydrophobicContact CD1-CG 4.38Å; L60-L155 HydrophobicContact CD1-CD1 3.5Å; L76-L155 HydrophobicContact CD1-CD1 4.35Å; L80-L155 HydrophobicContact CD1-CD2 4.39Å; F153-L155 HydrophobicContact CB-CD2 4.25Å; F153-L155 HydrophobicContact CB-CG 4.49Å; F153-L155 PolarHBondContact O-N 3.31Å; L155-T163 PolarHBondContact N-O 3.28Å; L155-T163 PolarHBondContact O-N 3.47Å
156I93.7Very high93.3Very high26 Ų2637.8 Ų37.813%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-105.8110.3-176.8-55.1163000107.8A48 K49 V50 R162A48-I156 PolarHBondContact O-N 2.84Å; K49-I156 WeakPolarHBondContact CA-O 3.34Å; K49-I156 HydrophobicContact CG-CB 4.3Å; V50-I156 PolarHBondContact N-O 3.34Å; V50-I156 VanDerWaalsContact N-O 3.07Å; I156-R162 HydrophobicContact CG1-CG 4.19Å
157G90.1Very high93.3Very high12 Ų1231.2 Ų31.212%0.12418%0.183CC..  trans-74.5175.2176.800000112.7S159 G160 E161G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 3.18Å; G157-G160 PolarHBondContact O-N 2.81Å; G157-G160 VanDerWaalsContact O-N 3.09Å; G157-E161 PolarHBondContact N-O 3.27Å; G157-E161 VanDerWaalsContact N-O 3.15Å
158E85.7Confident93.3Very high176 Ų17630.9 Ų30.982%0.82218%0.178SC*.THydrogen-bonded Turntrans-64.1-31.4-179.9-64.7-164.5160.400113.1G160E158-G160 PolarHBondContact O-N 3.32Å
159S81.8Confident93.3Very high99 Ų9928.1 Ų28.169%0.69216%0.164SC*.THydrogen-bonded Turntrans-67.7-12.817663.50000113.7G157 E161G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 3.18Å; S159-E161 VanDerWaalsContact C-N 3.27Å; S159-E161 WeakPolarHBondContact OG-CB 3.41Å; S159-E161 PolarHBondContact OG-N 3.42Å
160G82.3Confident93.3Very high47 Ų4731.1 Ų31.149%0.48518%0.177SC..SBendtrans85.1-4-171.300000113.9G157 E158G157-G160 PolarHBondContact O-N 2.81Å; G157-G160 VanDerWaalsContact O-N 3.09Å; E158-G160 PolarHBondContact O-N 3.32Å
161E84.8Confident93.3Very high88 Ų8831.1 Ų31.141%0.41118%0.178SC..  trans-66.6141.7175.1-164.563-8700110.7A62 G157 S159A62-E161 HydrophobicContact CB-CG 4.41Å; G157-E161 PolarHBondContact N-O 3.27Å; G157-E161 VanDerWaalsContact N-O 3.15Å; S159-E161 VanDerWaalsContact C-N 3.27Å; S159-E161 WeakPolarHBondContact OG-CB 3.41Å; S159-E161 PolarHBondContact OG-N 3.42Å
162R89.4Confident93.4Very high20 Ų2029.5 Ų29.58%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-106.2130.6-178.9-67.6-155.4-179.792-8.2112.1G63 I156 F164 M351 N352G63-R162 VanDerWaalsContact CA-O 3.23Å; G63-R162 WeakPolarHBondContact CA-O 3.4Å; G63-R162 PolarHBondContact N-O 3.2Å; I156-R162 HydrophobicContact CG1-CG 4.19Å; R162-F164 HydrophobicContact CB-CZ 4.31Å; R162-M351 PolarHBondContact NH2-O 2.79Å; R162-N352 VanDerWaalsContact CZ-CG 3.49Å; R162-N352 PolarHBondContact NH1-OD1 2.91Å; R162-N352 VanDerWaalsContact NH2-CG 3.25Å
163T92.4Very high93.4Very high3 Ų332.3 Ų32.32%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-115.6134.3174.7-50.40000109I55 L60 S61 A62 G63 L155I55-T163 HydrophobicContact CD1-CG2 4.44Å; L60-T163 HydrophobicContact CB-CG2 3.99Å; L60-T163 HydrophobicContact CD1-CG2 4.37Å; S61-T163 VanDerWaalsContact O-CG2 3.32Å; S61-T163 WeakPolarHBondContact O-CG2 3.48Å; A62-T163 WeakPolarHBondContact CA-OG1 3.35Å; G63-T163 PolarHBondContact N-OG1 3.43Å; L155-T163 PolarHBondContact N-O 3.28Å; L155-T163 PolarHBondContact O-N 3.47Å
164F94.8Very high93.5Very high32 Ų3232.3 Ų32.314%0.1418%0.184CC..EExtended strand (participates in β ladder)trans-111.9118.6-179.8-51.7-76.8000110.2H64 S65 L66 F153 T154 R162 I166 N354H64-F164 PolarHBondContact O-N 3.3Å; S65-F164 CarbonylContact C-O 3.54Å; S65-F164 WeakPolarHBondContact CA-O 3.43Å; L66-F164 PolarHBondContact N-O 3.3Å; F153-F164 WeakPolarHBondContact O-CA 3.2Å; T154-F164 HydrophobicContact CG2-CD1 4.06Å; T154-F164 HydrophobicContact CG2-CE1 3.76Å; R162-F164 HydrophobicContact CB-CZ 4.31Å; F164-I166 HydrophobicContact CB-CD1 4.17Å; F164-N354 HydrophobicContact CE2-CB 4.36Å; F164-N354 WeakPolarHBondContact CE2-ND2 3.46Å; F164-N354 HydrophobicContact CZ-CB 3.91Å; F164-N354 WeakPolarHBondContact CZ-ND2 3.48Å
165A96.9Very high93.6Very high0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-103.5117.6170.200000109.4L60 L66 I68 L76 F153L60-A165 HydrophobicContact CD1-CB 3.77Å; L60-A165 HydrophobicContact CD2-CB 3.86Å; L60-A165 HydrophobicContact CG-CB 4.49Å; L66-A165 WeakPolarHBondContact O-CA 3.31Å; I68-A165 HydrophobicContact CD1-CB 3.91Å; I68-A165 HydrophobicContact CG1-CB 4.39Å; I68-A165 HydrophobicContact CG2-CB 4.26Å; L76-A165 HydrophobicContact CD1-CB 4.25Å; F153-A165 HydrophobicContact CB-CB 4.22Å; F153-A165 HydrophobicContact CD2-CB 4.47Å; F153-A165 WeakPolarHBondContact CD2-O 3.24Å; F153-A165 PolarHBondContact N-O 3.16Å; F153-A165 PolarHBondContact O-N 2.92Å
166I97.2Very high93.7Very high6 Ų637.4 Ų37.43%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-102.9118.6-172.1-51.2-57.2000109.7L43 L66 V67 I68 C152 F164 P168 M171L43-I166 HydrophobicContact CD2-CG2 4.14Å; L66-I166 PolarHBondContact O-N 2.96Å; V67-I166 WeakPolarHBondContact CA-O 3.31Å; V67-I166 HydrophobicContact CG2-CB 4.36Å; I68-I166 WeakPolarHBondContact CG1-O 3.4Å; I68-I166 PolarHBondContact N-O 3.09Å; C152-I166 HydrophobicContact CB-CD1 3.7Å; C152-I166 VanDerWaalsContact SG-CD1 3.51Å; F164-I166 HydrophobicContact CB-CD1 4.17Å; I166-P168 WeakPolarHBondContact O-CD 3.27Å; I166-M171 HydrophobicContact CG2-CE 3.76Å; I166-M171 HydrophobicContact CG2-SD 4.08Å
167S97.5Very high94Very high2 Ų243.3 Ų43.31%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-96.9104.8165.5176.30000107.7G150 R151 G169G150-S167 WeakPolarHBondContact CA-O 3.43Å; R151-S167 PolarHBondContact N-O 3.17Å; R151-S167 PolarHBondContact NH2-OG 3.04Å; R151-S167 PolarHBondContact O-N 3.24Å; S167-G169 PolarHBondContact O-N 3.38Å
168P96.8Very high94.3Very high10 Ų1044.3 Ų44.37%0.06524%0.238CC..  trans-65.4-34.3-167.9-27.137.7000114.8V67 G150 I166 H170 M171V67-P168 HydrophobicContact CG1-CG 3.47Å; V67-P168 VanDerWaalsContact CG1-CG 3.47Å; G150-P168 WeakPolarHBondContact CA-O 3.33Å; I166-P168 WeakPolarHBondContact O-CD 3.27Å; P168-H170 PolarHBondContact O-N 2.6Å; P168-H170 VanDerWaalsContact O-N 3.13Å; P168-M171 HydrophobicContact CB-CE 3.78Å; P168-M171 HydrophobicContact CB-CG 4.1Å; P168-M171 HydrophobicContact CB-SD 4.14Å; P168-M171 HydrophobicContact CG-CE 4.14Å; P168-M171 VanDerWaalsContact O-CB 3.24Å; P168-M171 WeakPolarHBondContact O-CB 3.17Å; P168-M171 WeakPolarHBondContact O-CG 3.41Å; P168-M171 PolarHBondContact O-N 3.38Å
169G96.3Very high95Very high20 Ų2036.3 Ų36.321%0.20620%0.2CC..THydrogen-bonded Turntrans54.2-121.2-169.300000110.4S167S167-G169 PolarHBondContact O-N 3.38Å
170H97.9Very high95.8Very high67 Ų6732.4 Ų32.431%0.3117%0.173SC..THydrogen-bonded Turntrans-110.920.9175.3-74.631.7000112.6V115 V145 P148 P168 N172 Q173V115-H170 WeakPolarHBondContact CG2-O 3.45Å; V145-H170 HydrophobicContact CB-CB 4.13Å; V145-H170 HydrophobicContact CG1-CB 4.47Å; V145-H170 HydrophobicContact CG2-CB 3.96Å; P148-H170 PolarHBondContact O-N 3.12Å; P168-H170 PolarHBondContact O-N 2.6Å; P168-H170 VanDerWaalsContact O-N 3.13Å; H170-N172 PolarHBondContact O-N 2.85Å; H170-Q173 HydrophobicContact CB-CB 4.23Å; H170-Q173 HydrophobicContact CB-CG 3.9Å; H170-Q173 WeakPolarHBondContact O-CB 3.42Å; H170-Q173 PolarHBondContact O-N 3.33Å
171M98.1Very high96.5Very high1 Ų132.9 Ų32.91%0.00516%0.163CC..THydrogen-bonded Turntrans-57.6-26.5-176.874.7-176.4-169.100113.8Q41 L43 I166 P168 M205Q41-M171 HydrophobicContact CB-CB 4.09Å; Q41-M171 HydrophobicContact CB-CE 4.36Å; Q41-M171 HydrophobicContact CB-CG 3.97Å; Q41-M171 HydrophobicContact CB-SD 3.76Å; Q41-M171 HydrophobicContact CG-CB 4.47Å; Q41-M171 HydrophobicContact CG-CE 4.14Å; Q41-M171 HydrophobicContact CG-CG 4Å; Q41-M171 HydrophobicContact CG-SD 4.09Å; L43-M171 HydrophobicContact CD2-SD 3.89Å; L43-M171 HydrophobicContact CG-SD 4.25Å; I166-M171 HydrophobicContact CG2-CE 3.76Å; I166-M171 HydrophobicContact CG2-SD 4.08Å; P168-M171 HydrophobicContact CB-CE 3.78Å; P168-M171 HydrophobicContact CB-CG 4.1Å; P168-M171 HydrophobicContact CB-SD 4.14Å; P168-M171 HydrophobicContact CG-CE 4.14Å; P168-M171 VanDerWaalsContact O-CB 3.24Å; P168-M171 WeakPolarHBondContact O-CB 3.17Å; P168-M171 WeakPolarHBondContact O-CG 3.41Å; P168-M171 PolarHBondContact O-N 3.38Å; M171-M205 WeakPolarHBondContact O-CE 3.49Å
172N98.5Very high97.2Very high2 Ų233.7 Ų33.71%0.01117%0.169CC..THydrogen-bonded Turntrans-94.95.6180-69.3-34.5000114.3Q41 H170 L174 C199 E203 P204 M205Q41-N172 WeakPolarHBondContact CG-OD1 3.42Å; Q41-N172 PolarHBondContact NE2-OD1 3.46Å; H170-N172 PolarHBondContact O-N 2.85Å; N172-L174 PolarHBondContact O-N 3.48Å; N172-C199 HydrophobicContact CB-CB 4.05Å; N172-C199 VanDerWaalsContact ND2-CB 3.27Å; N172-C199 WeakPolarHBondContact ND2-CB 3.46Å; N172-E203 HydrophobicContact CB-CB 3.91Å; N172-E203 VanDerWaalsContact CB-CD 3.45Å; N172-E203 HydrophobicContact CB-CG 4.26Å; N172-E203 VanDerWaalsContact CB-OE2 3.32Å; N172-E203 WeakPolarHBondContact CB-OE2 3.46Å; N172-E203 PolarHBondContact ND2-OE2 3.46Å; N172-P204 WeakPolarHBondContact O-CD 3.31Å; N172-M205 HydrophobicContact CB-CB 4.01Å; N172-M205 WeakPolarHBondContact O-CB 3.33Å; N172-M205 PolarHBondContact O-N 3.3Å; N172-M205 VanDerWaalsContact O-N 3.12Å
173Q98.6Very high97.6Very high64 Ų6432.8 Ų32.830%0.29917%0.166SC..  trans-84.212.7-176.9-70.6-64.5111.800113.9Q143 V145 H170 R175Q143-Q173 PolarHBondContact NE2-O 2.94Å; V145-Q173 HydrophobicContact CG1-CB 3.97Å; H170-Q173 HydrophobicContact CB-CB 4.23Å; H170-Q173 HydrophobicContact CB-CG 3.9Å; H170-Q173 WeakPolarHBondContact O-CB 3.42Å; H170-Q173 PolarHBondContact O-N 3.33Å; Q173-R175 PolarHBondContact O-N 3.3Å
174L98.7Very high97.8Very high1 Ų132.7 Ų32.71%0.00517%0.166CC..  trans-65.2124.7173.8-179.763.7000110.3I39 V115 Q143 N172 I179 P204 M205 A208I39-L174 HydrophobicContact CG2-CD2 3.76Å; V115-L174 HydrophobicContact CG1-CB 4.2Å; Q143-L174 HydrophobicContact CB-CD1 4Å; N172-L174 PolarHBondContact O-N 3.48Å; L174-I179 HydrophobicContact CD2-CD1 4.05Å; L174-I179 HydrophobicContact CG-CD1 4.43Å; L174-P204 CarbonylContact O-C 3.57Å; L174-P204 VanDerWaalsContact O-C 3.26Å; L174-P204 WeakPolarHBondContact O-CB 3.26Å; L174-P204 WeakPolarHBondContact O-CG 3.38Å; L174-M205 HydrophobicContact CB-CE 3.57Å; L174-M205 HydrophobicContact CB-SD 3.98Å; L174-M205 HydrophobicContact CD2-CE 4.12Å; L174-M205 HydrophobicContact CD2-SD 3.88Å; L174-M205 PolarHBondContact O-N 2.82Å; L174-A208 HydrophobicContact CB-CB 4.44Å; L174-A208 HydrophobicContact CD2-CB 4.11Å; L174-A208 HydrophobicContact CG-CB 3.85Å; L174-A208 WeakPolarHBondContact O-CB 3.14Å
175R98.7Very high98Very high97 Ų9732.7 Ų32.737%0.36617%0.171SC..  trans-100149.7-178.7-58.3-175.7-61.3-77.4-2.7111.4Q173 E177 S178 P204Q173-R175 PolarHBondContact O-N 3.3Å; R175-E177 HydrophobicContact CB-CG 3.89Å; R175-E177 IonicContact CZ-OE1 3.23Å; R175-E177 IonicContact NE-OE1 3.83Å; R175-E177 PolarHBondContact NE-OE1 3.12Å; R175-E177 IonicContact NH2-OE1 3.68Å; R175-E177 PolarHBondContact NH2-OE1 2.75Å; R175-E177 VanDerWaalsContact NH2-OE1 3.12Å; R175-E177 PolarHBondContact O-N 2.81Å; R175-S178 WeakPolarHBondContact O-CB 3.23Å; R175-S178 PolarHBondContact O-N 2.67Å; R175-P204 HydrophobicContact CG-CB 4.36Å; R175-P204 HydrophobicContact CG-CG 4.11Å
176A98.5Very high97.9Very high12 Ų1234.3 Ų34.310%0.09919%0.188CC..G310 helixtrans-58.9-32.8178.800000113.6S178 I179 E207 K211A176-S178 PolarHBondContact O-N 3.35Å; A176-I179 WeakPolarHBondContact O-CB 3.47Å; A176-I179 WeakPolarHBondContact O-CG1 3.39Å; A176-I179 PolarHBondContact O-N 2.74Å; A176-E207 HydrophobicContact CB-CG 4.16Å; A176-K211 HydrophobicContact CB-CB 3.84Å; A176-K211 HydrophobicContact CB-CG 4.1Å
177E98.3Very high97.9Very high150 Ų15034.6 Ų34.670%0.70119%0.191SC*.G310 helixtrans-64.2-20.2175.164177.1-164.300113.9R175 I179R175-E177 HydrophobicContact CB-CG 3.89Å; R175-E177 IonicContact CZ-OE1 3.23Å; R175-E177 IonicContact NE-OE1 3.83Å; R175-E177 PolarHBondContact NE-OE1 3.12Å; R175-E177 IonicContact NH2-OE1 3.68Å; R175-E177 PolarHBondContact NH2-OE1 2.75Å; R175-E177 VanDerWaalsContact NH2-OE1 3.12Å; R175-E177 PolarHBondContact O-N 2.81Å; E177-I179 VanDerWaalsContact C-N 3.29Å
178S98.5Very high97.9Very high33 Ų3335 Ų3523%0.23119%0.194CC..G310 helixtrans-90.56.6179.7-610000112.5Q143 R175 A176 P180Q143-S178 WeakPolarHBondContact CG-OG 3.39Å; Q143-S178 PolarHBondContact OE1-OG 2.9Å; R175-S178 WeakPolarHBondContact O-CB 3.23Å; R175-S178 PolarHBondContact O-N 2.67Å; A176-S178 PolarHBondContact O-N 3.35Å; S178-P180 VanDerWaalsContact O-CD 3.29Å; S178-P180 WeakPolarHBondContact O-CD 3.49Å
179I98.7Very high98Very high8 Ų834.5 Ų34.54%0.04119%0.191CC..  trans-86.7112.4176.3-57.9-58.8000109.3I39 L113 L174 A176 E177 E181 I184 A208 K211 A212 Y215I39-I179 HydrophobicContact CD1-CD1 4.39Å; L113-I179 HydrophobicContact CD1-CD1 4.06Å; L113-I179 HydrophobicContact CD1-CG2 4.49Å; L174-I179 HydrophobicContact CD2-CD1 4.05Å; L174-I179 HydrophobicContact CG-CD1 4.43Å; A176-I179 WeakPolarHBondContact O-CB 3.47Å; A176-I179 WeakPolarHBondContact O-CG1 3.39Å; A176-I179 PolarHBondContact O-N 2.74Å; E177-I179 VanDerWaalsContact C-N 3.29Å; I179-E181 PolarHBondContact O-N 3.32Å; I179-I184 HydrophobicContact CG2-CD1 3.42Å; I179-I184 VanDerWaalsContact CG2-CD1 3.42Å; I179-A208 HydrophobicContact CD1-CB 4.14Å; I179-A208 HydrophobicContact CG1-CB 4.22Å; I179-K211 HydrophobicContact CB-CG 4.22Å; I179-K211 HydrophobicContact CG1-CB 4.48Å; I179-K211 HydrophobicContact CG1-CG 4.35Å; I179-A212 HydrophobicContact CG2-CB 3.91Å; I179-Y215 HydrophobicContact CB-CE2 4.21Å; I179-Y215 HydrophobicContact CG2-CD2 3.68Å; I179-Y215 HydrophobicContact CG2-CE2 3.83Å
180P98.4Very high98.1Very high18 Ų1833.6 Ų33.612%0.11718%0.181CC..  trans-77.3108.1-178.429.3-30.4000110.8L113 Y141 S178 D182 V183 I184L113-P180 HydrophobicContact CD2-CG 3.78Å; Y141-P180 HydrophobicContact CD1-CB 3.81Å; Y141-P180 HydrophobicContact CD1-CG 3.68Å; Y141-P180 HydrophobicContact CE1-CB 4.04Å; Y141-P180 HydrophobicContact CE1-CG 4.31Å; Y141-P180 HydrophobicContact CG-CG 4.26Å; S178-P180 VanDerWaalsContact O-CD 3.29Å; S178-P180 WeakPolarHBondContact O-CD 3.49Å; P180-D182 VanDerWaalsContact C-N 3.32Å; P180-D182 PolarHBondContact O-N 2.91Å; P180-V183 HydrophobicContact CB-CB 3.92Å; P180-V183 HydrophobicContact CB-CG2 3.74Å; P180-V183 HydrophobicContact CG-CB 3.7Å; P180-V183 HydrophobicContact CG-CG1 4.2Å; P180-V183 HydrophobicContact CG-CG2 3.77Å; P180-V183 PolarHBondContact O-N 3.29Å; P180-I184 PolarHBondContact O-N 3.15Å
181E98.6Very high98.2Very high57 Ų5730.4 Ų30.427%0.26617%0.167SC..Hα-helixtrans-59.1-40.9-178.9-179.4168.5-171.200112.8I179 V183 I184 A185 Y215 K218 Y219I179-E181 PolarHBondContact O-N 3.32Å; E181-V183 PolarHBondContact O-N 3.13Å; E181-I184 PolarHBondContact O-N 3.09Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.46Å; E181-A185 PolarHBondContact O-N 3.41Å; E181-Y215 HydrophobicContact CB-CD1 4.14Å; E181-Y215 HydrophobicContact CB-CD2 4.2Å; E181-Y215 HydrophobicContact CB-CE1 3.91Å; E181-Y215 HydrophobicContact CB-CE2 3.97Å; E181-Y215 HydrophobicContact CB-CG 4.27Å; E181-Y215 HydrophobicContact CG-CD1 3.63Å; E181-Y215 HydrophobicContact CG-CD2 4.46Å; E181-Y215 HydrophobicContact CG-CE1 3.69Å; E181-Y215 HydrophobicContact CG-CG 4.04Å; E181-Y215 WeakPolarHBondContact OE2-CE1 3.1Å; E181-K218 WeakPolarHBondContact OE1-CD 3.17Å; E181-K218 WeakPolarHBondContact OE1-CE 3.46Å; E181-K218 IonicContact OE1-NZ 3.49Å; E181-K218 PolarHBondContact OE1-NZ 2.89Å; E181-Y219 HydrophobicContact CG-CE2 3.82Å; E181-Y219 PolarHBondContact OE1-OH 3.45Å; E181-Y219 VanDerWaalsContact OE1-OH 3.12Å
182D97.6Very high98.2Very high104 Ų10430.4 Ų30.456%0.55617%0.167SC*.Hα-helixtrans-64.9-38.1-179.363.7-58.6000112.7P180 A185 G186P180-D182 VanDerWaalsContact C-N 3.32Å; P180-D182 PolarHBondContact O-N 2.91Å; D182-A185 PolarHBondContact O-N 3.3Å; D182-G186 PolarHBondContact O-N 2.83Å
183V97.9Very high98.1Very high2 Ų230.4 Ų30.41%0.01217%0.167CC..Hα-helixtrans-66.6-41.5177.1168.10000110.8W35 V37 V111 Y141 P180 E181W35-V183 PolarHBondContact NE1-O 2.75Å; V37-V183 HydrophobicContact CG1-CG1 4.18Å; V37-V183 HydrophobicContact CG2-CG1 3.53Å; V111-V183 HydrophobicContact CB-CG1 4.01Å; V111-V183 HydrophobicContact CG1-CG1 3.91Å; V111-V183 HydrophobicContact CG2-CG1 4Å; Y141-V183 HydrophobicContact CD1-CG2 3.98Å; Y141-V183 HydrophobicContact CD2-CG2 4.45Å; Y141-V183 HydrophobicContact CE1-CG2 3.49Å; Y141-V183 VanDerWaalsContact CE1-CG2 3.49Å; Y141-V183 HydrophobicContact CE2-CG2 4.05Å; Y141-V183 HydrophobicContact CG-CG2 4.41Å; P180-V183 HydrophobicContact CB-CB 3.92Å; P180-V183 HydrophobicContact CB-CG2 3.74Å; P180-V183 HydrophobicContact CG-CB 3.7Å; P180-V183 HydrophobicContact CG-CG1 4.2Å; P180-V183 HydrophobicContact CG-CG2 3.77Å; P180-V183 PolarHBondContact O-N 3.29Å; E181-V183 PolarHBondContact O-N 3.13Å
184I98.4Very high98Very high0 Ų027.4 Ų27.40%015%0.153CC..Hα-helixtrans-70.6-41.4176-67.3173.6000110.2V37 I179 P180 E181 G186 A187 A212 Y215 A216 V221V37-I184 HydrophobicContact CG1-CG1 4.42Å; I179-I184 HydrophobicContact CG2-CD1 3.42Å; I179-I184 VanDerWaalsContact CG2-CD1 3.42Å; P180-I184 PolarHBondContact O-N 3.15Å; E181-I184 PolarHBondContact O-N 3.09Å; I184-G186 VanDerWaalsContact C-N 3.26Å; I184-G186 PolarHBondContact O-N 2.95Å; I184-A187 VanDerWaalsContact O-CB 3.24Å; I184-A187 WeakPolarHBondContact O-CB 3.14Å; I184-A187 PolarHBondContact O-N 2.85Å; I184-A212 HydrophobicContact CD1-CB 3.61Å; I184-Y215 HydrophobicContact CD1-CD2 4.11Å; I184-A216 HydrophobicContact CG2-CB 4.21Å; I184-V221 VanDerWaalsContact O-CG2 3.3Å; I184-V221 WeakPolarHBondContact O-CG2 3.47Å
185A97.6Very high97.9Very high32 Ų3228.6 Ų28.626%0.26416%0.157SC..Hα-helixtrans-56.3-37.3-178.400000113.8E181 D182 Y219E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.46Å; E181-A185 PolarHBondContact O-N 3.41Å; D182-A185 PolarHBondContact O-N 3.3Å; A185-Y219 HydrophobicContact CB-CD1 3.72Å; A185-Y219 HydrophobicContact CB-CD2 3.44Å; A185-Y219 VanDerWaalsContact CB-CD2 3.44Å; A185-Y219 HydrophobicContact CB-CE1 3.79Å; A185-Y219 HydrophobicContact CB-CE2 3.55Å; A185-Y219 HydrophobicContact CB-CG 3.54Å
186G95.1Very high97.8Very high34 Ų3424 Ų2435%0.35114%0.14SC..THydrogen-bonded Turntrans-88.9-1.7177.200000115.1D182 I184D182-G186 PolarHBondContact O-N 2.83Å; I184-G186 VanDerWaalsContact C-N 3.26Å; I184-G186 PolarHBondContact O-N 2.95Å
187A97.8Very high97.6Very high12 Ų1226.1 Ų26.110%0.09915%0.152CC..EExtended strand (participates in β ladder)trans-74.4144.5-175.200000112.2V37 I184 V221V37-A187 HydrophobicContact CB-CB 4.29Å; V37-A187 HydrophobicContact CG2-CB 3.59Å; I184-A187 VanDerWaalsContact O-CB 3.24Å; I184-A187 WeakPolarHBondContact O-CB 3.14Å; I184-A187 PolarHBondContact O-N 2.85Å; A187-V221 HydrophobicContact CB-CG1 4.16Å
188S97.2Very high97.3Very high10 Ų1021.4 Ų21.47%0.0713%0.127CC..EExtended strand (participates in β ladder)trans-81.7-21171.561.10000113.3W35 P222 T369W35-S188 PolarHBondContact O-N 3.27Å; W35-S188 PolarHBondContact O-OG 2.95Å; S188-P222 VanDerWaalsContact O-CD 3.25Å; S188-P222 WeakPolarHBondContact O-CD 3.41Å; S188-P222 WeakPolarHBondContact O-CG 3.48Å; S188-T369 PolarHBondContact OG-OG1 2.92Å; S188-T369 VanDerWaalsContact OG-OG1 3.06Å
189A98.5Very high97.1Very high0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-160.8148174.500000110.3V36 V37 P222 V224 L365V36-A189 HydrophobicContact CG1-CB 4.35Å; V37-A189 PolarHBondContact N-O 2.95Å; V37-A189 VanDerWaalsContact N-O 3.11Å; A189-P222 WeakPolarHBondContact CA-O 3.48Å; A189-P222 HydrophobicContact CB-CG 4.29Å; A189-V224 HydrophobicContact CB-CG2 3.95Å; A189-L365 HydrophobicContact CB-CD2 4.06Å
190L98.8Very high96.9Very high1 Ų125.7 Ų25.71%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-105.6121.3166.9172.663.9000108.5V37 I39 L192 A212 I213 A216 V221 P222 V223 V224V37-L190 HydrophobicContact CB-CD1 4.47Å; V37-L190 HydrophobicContact CG1-CD1 4.29Å; V37-L190 CarbonylContact O-C 3.48Å; V37-L190 WeakPolarHBondContact O-CA 3.45Å; I39-L190 HydrophobicContact CD1-CD1 4.47Å; I39-L190 HydrophobicContact CG1-CD1 4.23Å; L190-L192 HydrophobicContact CD1-CD2 4.15Å; L190-L192 HydrophobicContact CD2-CD2 4.33Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.27Å; L190-A212 HydrophobicContact CD1-CB 4.47Å; L190-A212 HydrophobicContact CD2-CB 3.84Å; L190-I213 HydrophobicContact CD2-CG1 4.43Å; L190-A216 HydrophobicContact CB-CB 4.35Å; L190-A216 HydrophobicContact CD2-CB 3.88Å; L190-V221 HydrophobicContact CB-CG1 4.28Å; L190-P222 PolarHBondContact N-O 2.67Å; L190-V223 HydrophobicContact CD2-CG2 4.45Å; L190-V223 CarbonylContact O-C 3.56Å; L190-V223 WeakPolarHBondContact O-CA 3.24Å; L190-V224 PolarHBondContact O-N 2.86Å
191V98.8Very high96.7Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-110.4124.7-173.2-162.40000111.2V36 V37 G38 I39 I95 T98 M99 V224 L361 L365V36-V191 HydrophobicContact CG1-CG2 3.52Å; V37-V191 PolarHBondContact O-N 3.18Å; G38-V191 CarbonylContact C-O 3.58Å; G38-V191 WeakPolarHBondContact CA-O 3.5Å; I39-V191 PolarHBondContact N-O 2.87Å; I95-V191 HydrophobicContact CD1-CG1 3.72Å; T98-V191 HydrophobicContact CG2-CG1 4.47Å; M99-V191 HydrophobicContact CE-CB 3.95Å; M99-V191 HydrophobicContact CE-CG1 4.38Å; M99-V191 HydrophobicContact CE-CG2 3.73Å; V191-V224 HydrophobicContact CB-CB 4.43Å; V191-V224 HydrophobicContact CG1-CB 4.15Å; V191-V224 HydrophobicContact CG1-CG1 4.19Å; V191-V224 HydrophobicContact CG2-CB 4.3Å; V191-V224 HydrophobicContact CG2-CG2 4.41Å; V191-L361 HydrophobicContact CG1-CD2 4.17Å; V191-L365 HydrophobicContact CG1-CD1 4.3Å; V191-L365 HydrophobicContact CG2-CD1 3.77Å; V191-L365 HydrophobicContact CG2-CD2 3.71Å; V191-L365 HydrophobicContact CG2-CG 4.42Å
192L98.6Very high96.6Very high2 Ų232.7 Ų32.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-127.6157.7-174.3-54179.9000110I39 L190 L196 T209 I213 V223 V224 L225 T226I39-L192 HydrophobicContact CB-CD2 3.85Å; I39-L192 HydrophobicContact CD1-CD2 3.76Å; I39-L192 HydrophobicContact CG1-CD2 3.78Å; L190-L192 HydrophobicContact CD1-CD2 4.15Å; L190-L192 HydrophobicContact CD2-CD2 4.33Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.27Å; L192-L196 HydrophobicContact CB-CD1 3.98Å; L192-L196 HydrophobicContact CD2-CD1 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.45Å; L192-T209 HydrophobicContact CD1-CG2 3.91Å; L192-T209 HydrophobicContact CD2-CG2 4.17Å; L192-I213 HydrophobicContact CD1-CD1 3.78Å; L192-I213 HydrophobicContact CD1-CG1 3.82Å; L192-V223 HydrophobicContact CD1-CG1 3.67Å; L192-V223 HydrophobicContact CG-CG1 4.29Å; L192-V224 PolarHBondContact N-O 3.33Å; L192-L225 HydrophobicContact CB-CD1 4.02Å; L192-L225 WeakPolarHBondContact O-CA 3.47Å; L192-T226 PolarHBondContact O-N 3.47Å
193T97.7Very high96.7Very high2 Ų229.4 Ų29.41%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-118.9150.2170.5176.60000110.6I95 Y195 L196 T226I95-T193 HydrophobicContact CG1-CG2 3.8Å; T193-Y195 HydrophobicContact CG2-CD2 4.37Å; T193-Y195 PolarHBondContact O-N 2.87Å; T193-Y195 VanDerWaalsContact O-N 3.14Å; T193-Y195 WeakPolarHBondContact OG1-CD2 3.46Å; T193-Y195 PolarHBondContact OG1-N 2.99Å; T193-L196 HydrophobicContact CG2-CD2 4.22Å; T193-L196 HydrophobicContact CG2-CG 3.87Å; T193-L196 WeakPolarHBondContact O-CB 3.49Å; T193-L196 WeakPolarHBondContact O-CG 3.28Å; T193-L196 PolarHBondContact O-N 2.98Å; T193-L196 VanDerWaalsContact O-N 3.12Å; T193-T226 CarbonylContact C-O 3.55Å; T193-T226 WeakPolarHBondContact CA-O 3.49Å
194S96.5Very high96.7Very high1 Ų130.3 Ų30.31%0.00720%0.199CC..G310 helixtrans-58.1-2217366.30000113.3L196 V197 T226 G228S194-L196 PolarHBondContact O-N 3.29Å; S194-V197 WeakPolarHBondContact O-CG2 3.38Å; S194-V197 PolarHBondContact O-N 3.5Å; S194-T226 PolarHBondContact N-O 3.07Å; S194-G228 VanDerWaalsContact OG-CA 3.29Å; S194-G228 WeakPolarHBondContact OG-CA 3.39Å; S194-G228 PolarHBondContact OG-N 2.96Å
195Y95.6Very high96.7Very high25 Ų2530.3 Ų30.310%0.09820%0.199CC..G310 helixtrans-64.8-19.1175.9-63.2-54.6000114.1Q41 T193 V197 R198 G228 T229 V232Q41-Y195 PolarHBondContact NE2-O 2.97Å; T193-Y195 HydrophobicContact CG2-CD2 4.37Å; T193-Y195 PolarHBondContact O-N 2.87Å; T193-Y195 VanDerWaalsContact O-N 3.14Å; T193-Y195 WeakPolarHBondContact OG1-CD2 3.46Å; T193-Y195 PolarHBondContact OG1-N 2.99Å; Y195-V197 PolarHBondContact O-N 2.79Å; Y195-R198 VanDerWaalsContact CD1-CZ 3.49Å; Y195-R198 WeakPolarHBondContact O-CB 3.39Å; Y195-R198 PolarHBondContact O-N 3.25Å; Y195-G228 WeakPolarHBondContact CE1-O 3.27Å; Y195-G228 VanDerWaalsContact CZ-CA 3.44Å; Y195-T229 VanDerWaalsContact OH-CG2 3.32Å; Y195-T229 WeakPolarHBondContact OH-CG2 3.29Å; Y195-V232 HydrophobicContact CE1-CG2 4.45Å
196L97Very high96.7Very high1 Ų130.7 Ų30.71%0.00520%0.199CC..G310 helixtrans-64.6-21.2-178.8-63.3179000113.6I39 Q41 L192 T193 S194 M205 T209I39-L196 HydrophobicContact CB-CD1 3.96Å; I39-L196 HydrophobicContact CG2-CD1 4.03Å; I39-L196 HydrophobicContact CG2-CD2 4.1Å; Q41-L196 HydrophobicContact CG-CD2 4.32Å; L192-L196 HydrophobicContact CB-CD1 3.98Å; L192-L196 HydrophobicContact CD2-CD1 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.45Å; T193-L196 HydrophobicContact CG2-CD2 4.22Å; T193-L196 HydrophobicContact CG2-CG 3.87Å; T193-L196 WeakPolarHBondContact O-CB 3.49Å; T193-L196 WeakPolarHBondContact O-CG 3.28Å; T193-L196 PolarHBondContact O-N 2.98Å; T193-L196 VanDerWaalsContact O-N 3.12Å; S194-L196 PolarHBondContact O-N 3.29Å; L196-M205 HydrophobicContact CB-CG 4.46Å; L196-M205 HydrophobicContact CD2-CG 4.26Å; L196-M205 HydrophobicContact CD2-SD 3.97Å; L196-T209 HydrophobicContact CD1-CG2 3.96Å
197V93.9Very high96.8Very high56 Ų5635.3 Ų35.334%0.33921%0.211SC..G310 helixtrans-92.1-7.2174.9-50.60000112.7S194 Y195 C199 W239 W240S194-V197 WeakPolarHBondContact O-CG2 3.38Å; S194-V197 PolarHBondContact O-N 3.5Å; Y195-V197 PolarHBondContact O-N 2.79Å; V197-C199 PolarHBondContact O-N 2.91Å; V197-W239 HydrophobicContact CG1-CH2 4.11Å; V197-W239 HydrophobicContact CG2-CH2 4.48Å; V197-W239 HydrophobicContact CG2-CZ3 4.46Å; V197-W240 HydrophobicContact CG1-CH2 4.46Å; V197-W240 HydrophobicContact CG2-CH2 3.58Å; V197-W240 HydrophobicContact CG2-CZ2 3.67Å
198R92.6Very high96.9Very high51 Ų5134.8 Ų34.819%0.19221%0.207CC..  trans-90.287.1177.2-171.7177.269.1175.23.8109.9Q41 S65 Y195Q41-R198 PolarHBondContact NE2-O 2.89Å; S65-R198 PolarHBondContact O-NH1 2.92Å; S65-R198 PolarHBondContact OG-NH2 2.93Å; Y195-R198 VanDerWaalsContact CD1-CZ 3.49Å; Y195-R198 WeakPolarHBondContact O-CB 3.39Å; Y195-R198 PolarHBondContact O-N 3.25Å
199C93.5Very high97Very high39 Ų3934.5 Ų34.526%0.26421%0.205SC..SBendtrans-139.6165.917969.30000111.4N172 V197 E203 P206N172-C199 HydrophobicContact CB-CB 4.05Å; N172-C199 VanDerWaalsContact ND2-CB 3.27Å; N172-C199 WeakPolarHBondContact ND2-CB 3.46Å; V197-C199 PolarHBondContact O-N 2.91Å; C199-E203 HydrophobicContact CB-CB 4.11Å; C199-E203 VanDerWaalsContact CB-OE2 3.31Å; C199-E203 WeakPolarHBondContact CB-OE2 3.48Å; C199-P206 WeakPolarHBondContact SG-CG 3.49Å
200K94.3Very high97Very high93 Ų9338.1 Ų38.140%0.40422%0.223SC..  trans-66.4142.9170.5-68.4-177.4175.3-1750108.4E69 G202 E203E69-K200 IonicContact OE1-NZ 3.64Å; E69-K200 IonicContact OE2-NZ 2.62Å; E69-K200 PolarHBondContact OE2-NZ 3.06Å; K200-G202 PolarHBondContact O-N 3.13Å; K200-E203 HydrophobicContact CB-CG 4.13Å; K200-E203 PolarHBondContact N-OE2 2.83Å; K200-E203 WeakPolarHBondContact O-CB 3.31Å; K200-E203 WeakPolarHBondContact O-CG 3.29Å; K200-E203 PolarHBondContact O-N 2.88Å; K200-E203 VanDerWaalsContact O-N 3.15Å
201P95.6Very high97Very high138 Ų13840.8 Ų40.890%0.89623%0.234SC*.THydrogen-bonded Turntrans-55.4129.8177.8-27.335.1000112
202G96.7Very high97Very high84 Ų8440.8 Ų40.887%0.86623%0.234SC*.THydrogen-bonded Turntrans95.8-9.3-178.600000115K200K200-G202 PolarHBondContact O-N 3.13Å
203E97.7Very high97Very high34 Ų3440.8 Ų40.816%0.15923%0.234CC..  trans-70.7139.8170.6-63.6-171.2117.600111N172 C199 K200 M205 P206N172-E203 HydrophobicContact CB-CB 3.91Å; N172-E203 VanDerWaalsContact CB-CD 3.45Å; N172-E203 HydrophobicContact CB-CG 4.26Å; N172-E203 VanDerWaalsContact CB-OE2 3.32Å; N172-E203 WeakPolarHBondContact CB-OE2 3.46Å; N172-E203 PolarHBondContact ND2-OE2 3.46Å; C199-E203 HydrophobicContact CB-CB 4.11Å; C199-E203 VanDerWaalsContact CB-OE2 3.31Å; C199-E203 WeakPolarHBondContact CB-OE2 3.48Å; K200-E203 HydrophobicContact CB-CG 4.13Å; K200-E203 PolarHBondContact N-OE2 2.83Å; K200-E203 WeakPolarHBondContact O-CB 3.31Å; K200-E203 WeakPolarHBondContact O-CG 3.29Å; K200-E203 PolarHBondContact O-N 2.88Å; K200-E203 VanDerWaalsContact O-N 3.15Å; E203-M205 PolarHBondContact O-N 2.77Å; E203-P206 WeakPolarHBondContact O-CD 3.39Å
204P98.4Very high97Very high22 Ų2245.5 Ų45.514%0.14326%0.256CS..SBendtrans-81.6-5.6-168.731.7-37.6000115.7N172 L174 R175 E207 A208N172-P204 WeakPolarHBondContact O-CD 3.31Å; L174-P204 CarbonylContact O-C 3.57Å; L174-P204 VanDerWaalsContact O-C 3.26Å; L174-P204 WeakPolarHBondContact O-CB 3.26Å; L174-P204 WeakPolarHBondContact O-CG 3.38Å; R175-P204 HydrophobicContact CG-CB 4.36Å; R175-P204 HydrophobicContact CG-CG 4.11Å; P204-E207 WeakPolarHBondContact O-CB 3.35Å; P204-E207 PolarHBondContact O-N 2.85Å; P204-A208 PolarHBondContact O-N 3.38Å
205M98.4Very high97.1Very high0 Ų047.2 Ų47.20%026%0.263CS..Hα-helixtrans-53.1-44.8-176.9179.862.675.900114.6I39 Q41 M171 N172 L174 L196 E203 E207 A208 T209I39-M205 HydrophobicContact CG2-SD 4Å; Q41-M205 HydrophobicContact CG-CE 4.42Å; M171-M205 WeakPolarHBondContact O-CE 3.49Å; N172-M205 HydrophobicContact CB-CB 4.01Å; N172-M205 WeakPolarHBondContact O-CB 3.33Å; N172-M205 PolarHBondContact O-N 3.3Å; N172-M205 VanDerWaalsContact O-N 3.12Å; L174-M205 HydrophobicContact CB-CE 3.57Å; L174-M205 HydrophobicContact CB-SD 3.98Å; L174-M205 HydrophobicContact CD2-CE 4.12Å; L174-M205 HydrophobicContact CD2-SD 3.88Å; L174-M205 PolarHBondContact O-N 2.82Å; L196-M205 HydrophobicContact CB-CG 4.46Å; L196-M205 HydrophobicContact CD2-CG 4.26Å; L196-M205 HydrophobicContact CD2-SD 3.97Å; E203-M205 PolarHBondContact O-N 2.77Å; M205-E207 VanDerWaalsContact C-N 3.32Å; M205-E207 PolarHBondContact O-N 3.37Å; M205-A208 PolarHBondContact O-N 2.75Å; M205-T209 WeakPolarHBondContact O-CB 3.23Å; M205-T209 PolarHBondContact O-N 3.41Å; M205-T209 PolarHBondContact O-OG1 3.2Å
206P97.9Very high97.2Very high39 Ų3946 Ų4625%0.25326%0.258SS..Hα-helixtrans-63-38.1176.6-23.235.4000112.5C199 E203 T209 M210C199-P206 WeakPolarHBondContact SG-CG 3.49Å; E203-P206 WeakPolarHBondContact O-CD 3.39Å; P206-T209 PolarHBondContact O-N 2.81Å; P206-M210 VanDerWaalsContact O-CG 3.32Å; P206-M210 WeakPolarHBondContact O-CG 3.4Å; P206-M210 PolarHBondContact O-N 3.01Å
207E98.4Very high97.3Very high132 Ų13251.2 Ų51.262%0.61728%0.28SS*.Hα-helixtrans-64.4-44.8177.4-170.1-171.716600111.1A176 P204 M205 T209 M210 K211A176-E207 HydrophobicContact CB-CG 4.16Å; P204-E207 WeakPolarHBondContact O-CB 3.35Å; P204-E207 PolarHBondContact O-N 2.85Å; M205-E207 VanDerWaalsContact C-N 3.32Å; M205-E207 PolarHBondContact O-N 3.37Å; E207-T209 VanDerWaalsContact C-N 3.33Å; E207-T209 PolarHBondContact O-N 3.49Å; E207-M210 PolarHBondContact O-N 3.39Å; E207-K211 PolarHBondContact O-N 2.88Å
208A98.7Very high97.5Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-62.7-40.317600000112.3L174 I179 P204 M205 K211 A212L174-A208 HydrophobicContact CB-CB 4.44Å; L174-A208 HydrophobicContact CD2-CB 4.11Å; L174-A208 HydrophobicContact CG-CB 3.85Å; L174-A208 WeakPolarHBondContact O-CB 3.14Å; I179-A208 HydrophobicContact CD1-CB 4.14Å; I179-A208 HydrophobicContact CG1-CB 4.22Å; P204-A208 PolarHBondContact O-N 3.38Å; M205-A208 PolarHBondContact O-N 2.75Å; A208-K211 PolarHBondContact O-N 2.8Å; A208-A212 PolarHBondContact O-N 2.95Å
209T98.7Very high97.8Very high5 Ų557 Ų573%0.03130%0.301CS..Hα-helixtrans-61.6-45.2175.6-59.10000111.3L192 L196 M205 P206 E207 K211 A212 I213L192-T209 HydrophobicContact CD1-CG2 3.91Å; L192-T209 HydrophobicContact CD2-CG2 4.17Å; L196-T209 HydrophobicContact CD1-CG2 3.96Å; M205-T209 WeakPolarHBondContact O-CB 3.23Å; M205-T209 PolarHBondContact O-N 3.41Å; M205-T209 PolarHBondContact O-OG1 3.2Å; P206-T209 PolarHBondContact O-N 2.81Å; E207-T209 VanDerWaalsContact C-N 3.33Å; E207-T209 PolarHBondContact O-N 3.49Å; T209-K211 PolarHBondContact O-N 3.25Å; T209-A212 PolarHBondContact O-N 2.74Å; T209-I213 HydrophobicContact CG2-CD1 4.23Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 2.81Å
210M98.5Very high98Very high76 Ų7659 Ų5937%0.37431%0.308SS..Hα-helixtrans-66.4-36.1177-67.4-52.4-63.400112.7P206 E207 A212 I213 E214 F243P206-M210 VanDerWaalsContact O-CG 3.32Å; P206-M210 WeakPolarHBondContact O-CG 3.4Å; P206-M210 PolarHBondContact O-N 3.01Å; E207-M210 PolarHBondContact O-N 3.39Å; M210-A212 VanDerWaalsContact C-N 3.35Å; M210-I213 PolarHBondContact O-N 3.44Å; M210-I213 HydrophobicContact SD-CD1 3.83Å; M210-E214 PolarHBondContact O-N 3.37Å; M210-F243 HydrophobicContact SD-CE2 3.94Å
211K98.7Very high98.2Very high56 Ų5654.9 Ų54.924%0.24329%0.291CS..Hα-helixtrans-62.4-41.2173.1177.259.670.7-1710111.8A176 I179 E207 A208 T209 I213 E214 Y215A176-K211 HydrophobicContact CB-CB 3.84Å; A176-K211 HydrophobicContact CB-CG 4.1Å; I179-K211 HydrophobicContact CB-CG 4.22Å; I179-K211 HydrophobicContact CG1-CB 4.48Å; I179-K211 HydrophobicContact CG1-CG 4.35Å; E207-K211 PolarHBondContact O-N 2.88Å; A208-K211 PolarHBondContact O-N 2.8Å; T209-K211 PolarHBondContact O-N 3.25Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 3.01Å; K211-E214 IonicContact NZ-OE1 3.12Å; K211-E214 PolarHBondContact NZ-OE1 2.82Å; K211-E214 IonicContact NZ-OE2 3.39Å; K211-E214 PolarHBondContact NZ-OE2 3.11Å; K211-E214 WeakPolarHBondContact O-CB 3.21Å; K211-E214 PolarHBondContact O-N 3.41Å; K211-Y215 HydrophobicContact CD-CD2 4.3Å; K211-Y215 HydrophobicContact CD-CE1 4.19Å; K211-Y215 HydrophobicContact CD-CE2 3.65Å; K211-Y215 HydrophobicContact CG-CD2 4.25Å; K211-Y215 HydrophobicContact CG-CE2 3.69Å; K211-Y215 WeakPolarHBondContact O-CD2 3.39Å; K211-Y215 PolarHBondContact O-N 2.99Å; K211-Y215 VanDerWaalsContact O-N 3.1Å
212A98.7Very high98.3Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-65.2-38174.400000112.6I39 I179 I184 L190 A208 T209 M210 E214 Y215 A216I39-A212 HydrophobicContact CD1-CB 3.44Å; I39-A212 VanDerWaalsContact CD1-CB 3.44Å; I179-A212 HydrophobicContact CG2-CB 3.91Å; I184-A212 HydrophobicContact CD1-CB 3.61Å; L190-A212 HydrophobicContact CD1-CB 4.47Å; L190-A212 HydrophobicContact CD2-CB 3.84Å; A208-A212 PolarHBondContact O-N 2.95Å; T209-A212 PolarHBondContact O-N 2.74Å; M210-A212 VanDerWaalsContact C-N 3.35Å; A212-E214 VanDerWaalsContact C-N 3.34Å; A212-Y215 PolarHBondContact O-N 3.01Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.38Å
213I98.6Very high98.4Very high2 Ų245.4 Ų45.41%0.0121%0.214CC..Hα-helixtrans-64.5-38.4173.6-68163.4000111.3L190 L192 T209 M210 K211 A216 K217 V223 F243 H247L190-I213 HydrophobicContact CD2-CG1 4.43Å; L192-I213 HydrophobicContact CD1-CD1 3.78Å; L192-I213 HydrophobicContact CD1-CG1 3.82Å; T209-I213 HydrophobicContact CG2-CD1 4.23Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 2.81Å; M210-I213 PolarHBondContact O-N 3.44Å; M210-I213 HydrophobicContact SD-CD1 3.83Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 3.01Å; I213-A216 PolarHBondContact O-N 3.37Å; I213-K217 HydrophobicContact CG2-CD 4.32Å; I213-K217 HydrophobicContact CG2-CG 4.46Å; I213-K217 WeakPolarHBondContact O-CB 3.35Å; I213-K217 WeakPolarHBondContact O-CG 3.36Å; I213-K217 PolarHBondContact O-N 3.32Å; I213-V223 HydrophobicContact CG1-CG1 4.4Å; I213-V223 HydrophobicContact CG1-CG2 4.43Å; I213-V223 HydrophobicContact CG2-CG2 4.49Å; I213-F243 HydrophobicContact CD1-CE2 4.47Å; I213-F243 HydrophobicContact CD1-CZ 3.85Å; I213-H247 HydrophobicContact CD1-CB 4.4Å; I213-H247 HydrophobicContact CG2-CB 4Å; I213-H247 VanDerWaalsContact CG2-ND1 3.33Å; I213-H247 WeakPolarHBondContact CG2-ND1 3.37Å
214E98.7Very high98.5Very high102 Ų10243.8 Ų43.848%0.47721%0.207SC..Hα-helixtrans-56.9-50.5173.1-177.5-165.9144.800110.8M210 K211 A212 K217 K218M210-E214 PolarHBondContact O-N 3.37Å; K211-E214 IonicContact NZ-OE1 3.12Å; K211-E214 PolarHBondContact NZ-OE1 2.82Å; K211-E214 IonicContact NZ-OE2 3.39Å; K211-E214 PolarHBondContact NZ-OE2 3.11Å; K211-E214 WeakPolarHBondContact O-CB 3.21Å; K211-E214 PolarHBondContact O-N 3.41Å; A212-E214 VanDerWaalsContact C-N 3.34Å; E214-K217 PolarHBondContact O-N 2.97Å; E214-K218 PolarHBondContact O-N 2.89Å
215Y98.7Very high98.5Very high37 Ų3742.9 Ų42.915%0.14520%0.201CC..Hα-helixtrans-63.4-41.5175.7-63.7-40000112.4I179 E181 I184 K211 A212 K217 K218 Y219I179-Y215 HydrophobicContact CB-CE2 4.21Å; I179-Y215 HydrophobicContact CG2-CD2 3.68Å; I179-Y215 HydrophobicContact CG2-CE2 3.83Å; E181-Y215 HydrophobicContact CB-CD1 4.14Å; E181-Y215 HydrophobicContact CB-CD2 4.2Å; E181-Y215 HydrophobicContact CB-CE1 3.91Å; E181-Y215 HydrophobicContact CB-CE2 3.97Å; E181-Y215 HydrophobicContact CB-CG 4.27Å; E181-Y215 HydrophobicContact CG-CD1 3.63Å; E181-Y215 HydrophobicContact CG-CD2 4.46Å; E181-Y215 HydrophobicContact CG-CE1 3.69Å; E181-Y215 HydrophobicContact CG-CG 4.04Å; E181-Y215 WeakPolarHBondContact OE2-CE1 3.1Å; I184-Y215 HydrophobicContact CD1-CD2 4.11Å; K211-Y215 HydrophobicContact CD-CD2 4.3Å; K211-Y215 HydrophobicContact CD-CE1 4.19Å; K211-Y215 HydrophobicContact CD-CE2 3.65Å; K211-Y215 HydrophobicContact CG-CD2 4.25Å; K211-Y215 HydrophobicContact CG-CE2 3.69Å; K211-Y215 WeakPolarHBondContact O-CD2 3.39Å; K211-Y215 PolarHBondContact O-N 2.99Å; K211-Y215 VanDerWaalsContact O-N 3.1Å; A212-Y215 PolarHBondContact O-N 3.01Å; Y215-K217 VanDerWaalsContact C-N 3.33Å; Y215-K217 PolarHBondContact O-N 3.21Å; Y215-K218 WeakPolarHBondContact O-CB 3.44Å; Y215-K218 PolarHBondContact O-N 3.05Å; Y215-K218 VanDerWaalsContact O-N 3.16Å; Y215-Y219 VanDerWaalsContact O-CD2 3.28Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.39Å; Y215-Y219 PolarHBondContact O-N 2.94Å; Y215-Y219 VanDerWaalsContact O-N 3.09Å
216A98.6Very high98.4Very high0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-59.6-44.5177.200000111.4I184 L190 A212 I213 Y219 N220 V221 V223I184-A216 HydrophobicContact CG2-CB 4.21Å; L190-A216 HydrophobicContact CB-CB 4.35Å; L190-A216 HydrophobicContact CD2-CB 3.88Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.38Å; I213-A216 PolarHBondContact O-N 3.37Å; A216-Y219 PolarHBondContact O-N 3.22Å; A216-N220 CarbonylContact O-C 3.55Å; A216-N220 PolarHBondContact O-N 3.23Å; A216-V221 HydrophobicContact CB-CB 3.97Å; A216-V221 HydrophobicContact CB-CG1 4.45Å; A216-V221 PolarHBondContact O-N 3.29Å; A216-V223 HydrophobicContact CB-CG2 3.83Å
217K97.9Very high98.3Very high109 Ų10941.6 Ų41.647%0.47419%0.192SC..Hα-helixtrans-62-44.2174.4-74.8-179.3175.5-1740111.8I213 E214 Y215 Y219 N220 D246 H247I213-K217 HydrophobicContact CG2-CD 4.32Å; I213-K217 HydrophobicContact CG2-CG 4.46Å; I213-K217 WeakPolarHBondContact O-CB 3.35Å; I213-K217 WeakPolarHBondContact O-CG 3.36Å; I213-K217 PolarHBondContact O-N 3.32Å; E214-K217 PolarHBondContact O-N 2.97Å; Y215-K217 VanDerWaalsContact C-N 3.33Å; Y215-K217 PolarHBondContact O-N 3.21Å; K217-Y219 VanDerWaalsContact C-N 3.28Å; K217-Y219 PolarHBondContact O-N 3.27Å; K217-N220 PolarHBondContact O-N 3.33Å; K217-D246 WeakPolarHBondContact CE-O 3.4Å; K217-D246 PolarHBondContact NZ-O 3.14Å; K217-H247 WeakPolarHBondContact CE-ND1 3.48Å; K217-H247 PolarHBondContact NZ-CE1 3.48Å; K217-H247 VanDerWaalsContact NZ-CE1 3.35Å; K217-H247 PolarHBondContact NZ-ND1 3.23Å
218K98.4Very high97.6Very high132 Ų13235.4 Ų35.457%0.57416%0.163SC*.Hα-helixtrans-55.6-41.2178.8-178.1178.8177.7-176.50112.5E181 E214 Y215E181-K218 WeakPolarHBondContact OE1-CD 3.17Å; E181-K218 WeakPolarHBondContact OE1-CE 3.46Å; E181-K218 IonicContact OE1-NZ 3.49Å; E181-K218 PolarHBondContact OE1-NZ 2.89Å; E214-K218 PolarHBondContact O-N 2.89Å; Y215-K218 WeakPolarHBondContact O-CB 3.44Å; Y215-K218 PolarHBondContact O-N 3.05Å; Y215-K218 VanDerWaalsContact O-N 3.16Å
219Y98.1Very high96.8Very high97 Ų9736.2 Ų36.238%0.3817%0.168SC..THydrogen-bonded Turntrans-102.713-177.5-62.7-75.4000114E181 A185 Y215 A216 K217 V221E181-Y219 HydrophobicContact CG-CE2 3.82Å; E181-Y219 PolarHBondContact OE1-OH 3.45Å; E181-Y219 VanDerWaalsContact OE1-OH 3.12Å; A185-Y219 HydrophobicContact CB-CD1 3.72Å; A185-Y219 HydrophobicContact CB-CD2 3.44Å; A185-Y219 VanDerWaalsContact CB-CD2 3.44Å; A185-Y219 HydrophobicContact CB-CE1 3.79Å; A185-Y219 HydrophobicContact CB-CE2 3.55Å; A185-Y219 HydrophobicContact CB-CG 3.54Å; Y215-Y219 VanDerWaalsContact O-CD2 3.28Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.39Å; Y215-Y219 PolarHBondContact O-N 2.94Å; Y215-Y219 VanDerWaalsContact O-N 3.09Å; A216-Y219 PolarHBondContact O-N 3.22Å; K217-Y219 VanDerWaalsContact C-N 3.28Å; K217-Y219 PolarHBondContact O-N 3.27Å; Y219-V221 PolarHBondContact O-N 3.41Å
220N97.8Very high96.4Very high80 Ų8039.5 Ų39.543%0.42818%0.182SC..THydrogen-bonded Turntrans59.526179.9-165.827.8000114.9A216 K217 R326 K328A216-N220 CarbonylContact O-C 3.55Å; A216-N220 PolarHBondContact O-N 3.23Å; K217-N220 PolarHBondContact O-N 3.33Å; N220-R326 PolarHBondContact O-NH1 2.77Å; N220-R326 PolarHBondContact OD1-NH1 2.78Å; N220-K328 WeakPolarHBondContact OD1-CE 3.44Å; N220-K328 PolarHBondContact OD1-NZ 3.38Å
221V98.4Very high95.9Very high7 Ų739.6 Ų39.64%0.04218%0.181CC..PPolyproline II helixtrans-73.3129.2176.9-178.60000109I184 A187 L190 A216 Y219 V223I184-V221 VanDerWaalsContact O-CG2 3.3Å; I184-V221 WeakPolarHBondContact O-CG2 3.47Å; A187-V221 HydrophobicContact CB-CG1 4.16Å; L190-V221 HydrophobicContact CB-CG1 4.28Å; A216-V221 HydrophobicContact CB-CB 3.97Å; A216-V221 HydrophobicContact CB-CG1 4.45Å; A216-V221 PolarHBondContact O-N 3.29Å; Y219-V221 PolarHBondContact O-N 3.41Å; V221-V223 PolarHBondContact O-N 2.77Å
222P98.5Very high95.4Very high20 Ų2037.8 Ų37.813%0.1317%0.174CC..PPolyproline II helixtrans-68.5128.5175.128.2-32.3000110.2S188 A189 L190S188-P222 VanDerWaalsContact O-CD 3.25Å; S188-P222 WeakPolarHBondContact O-CD 3.41Å; S188-P222 WeakPolarHBondContact O-CG 3.48Å; A189-P222 WeakPolarHBondContact CA-O 3.48Å; A189-P222 HydrophobicContact CB-CG 4.29Å; L190-P222 PolarHBondContact N-O 2.67Å
223V98.8Very high95.2Very high3 Ų337.8 Ų37.82%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-85.9130.9171.8-179.10000108.4L190 L192 I213 A216 V221 H247 V248 S249 I250L190-V223 HydrophobicContact CD2-CG2 4.45Å; L190-V223 CarbonylContact O-C 3.56Å; L190-V223 WeakPolarHBondContact O-CA 3.24Å; L192-V223 HydrophobicContact CD1-CG1 3.67Å; L192-V223 HydrophobicContact CG-CG1 4.29Å; I213-V223 HydrophobicContact CG1-CG1 4.4Å; I213-V223 HydrophobicContact CG1-CG2 4.43Å; I213-V223 HydrophobicContact CG2-CG2 4.49Å; A216-V223 HydrophobicContact CB-CG2 3.83Å; V221-V223 PolarHBondContact O-N 2.77Å; V223-H247 VanDerWaalsContact CB-O 3.24Å; V223-H247 WeakPolarHBondContact CB-O 3.13Å; V223-H247 WeakPolarHBondContact CG2-O 3.42Å; V223-V248 HydrophobicContact CG1-CG2 4.43Å; V223-S249 PolarHBondContact O-N 2.89Å; V223-I250 PolarHBondContact O-N 3.44Å
224V98.8Very high94.9Very high0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-112.2130.2179-172.50000107.9A189 L190 V191 L192 I250 L361 L365A189-V224 HydrophobicContact CB-CG2 3.95Å; L190-V224 PolarHBondContact O-N 2.86Å; V191-V224 HydrophobicContact CB-CB 4.43Å; V191-V224 HydrophobicContact CG1-CB 4.15Å; V191-V224 HydrophobicContact CG1-CG1 4.19Å; V191-V224 HydrophobicContact CG2-CB 4.3Å; V191-V224 HydrophobicContact CG2-CG2 4.41Å; L192-V224 PolarHBondContact N-O 3.33Å; V224-I250 CarbonylContact C-O 3.58Å; V224-I250 VanDerWaalsContact CA-O 3.28Å; V224-I250 WeakPolarHBondContact CA-O 3.34Å; V224-I250 HydrophobicContact CB-CB 4.31Å; V224-I250 HydrophobicContact CG1-CB 4.05Å; V224-I250 HydrophobicContact CG1-CG2 4.07Å; V224-I250 HydrophobicContact CG2-CB 4Å; V224-I250 HydrophobicContact CG2-CD1 4.04Å; V224-I250 HydrophobicContact CG2-CG1 4.37Å; V224-L361 HydrophobicContact CG1-CD1 3.85Å; V224-L365 HydrophobicContact CG2-CD2 4.1Å
225L98.6Very high94.6Very high3 Ų343.6 Ų43.62%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-121127.4175.5-174.770.1000109.5L192 L227 W240 F243 L244 V248 I250 L251 A252L192-L225 HydrophobicContact CB-CD1 4.02Å; L192-L225 WeakPolarHBondContact O-CA 3.47Å; L225-L227 HydrophobicContact CD2-CD2 3.97Å; L225-L227 HydrophobicContact CG-CD2 4.31Å; L225-W240 HydrophobicContact CD2-CE3 4.11Å; L225-W240 HydrophobicContact CD2-CZ3 3.91Å; L225-F243 HydrophobicContact CD2-CD1 4.26Å; L225-F243 HydrophobicContact CD2-CE1 4.27Å; L225-L244 HydrophobicContact CD2-CD2 3.81Å; L225-V248 HydrophobicContact CB-CG1 3.83Å; L225-V248 HydrophobicContact CB-CG2 3.91Å; L225-V248 HydrophobicContact CD2-CG2 4.23Å; L225-I250 PolarHBondContact N-O 3.31Å; L225-L251 CarbonylContact O-C 3.46Å; L225-L251 WeakPolarHBondContact O-CA 3.22Å; L225-A252 PolarHBondContact O-N 2.88Å
226T97.9Very high94.4Very high8 Ų845.6 Ų45.65%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-101.7136.8164.2-1690000110.5T94 I95 L192 T193 S194 A252 L361T94-T226 HydrophobicContact CG2-CG2 3.47Å; T94-T226 VanDerWaalsContact CG2-CG2 3.47Å; I95-T226 HydrophobicContact CD1-CG2 3.74Å; L192-T226 PolarHBondContact O-N 3.47Å; T193-T226 CarbonylContact C-O 3.55Å; T193-T226 WeakPolarHBondContact CA-O 3.49Å; S194-T226 PolarHBondContact N-O 3.07Å; T226-A252 VanDerWaalsContact CA-O 3.31Å; T226-A252 WeakPolarHBondContact CA-O 3.31Å; T226-L361 HydrophobicContact CG2-CD2 4.43Å
227L95Very high94.3Very high5 Ų547.4 Ų47.43%0.02624%0.236CC..  trans-79.5160.2177.5-54.8-172.9000111L225 I233 L251 A252 M253 E257 L261L225-L227 HydrophobicContact CD2-CD2 3.97Å; L225-L227 HydrophobicContact CG-CD2 4.31Å; L227-I233 HydrophobicContact CB-CD1 4.24Å; L227-I233 HydrophobicContact CB-CG1 4.28Å; L227-I233 HydrophobicContact CD1-CD1 4.35Å; L227-I233 HydrophobicContact CD1-CG1 4.23Å; L227-I233 HydrophobicContact CD2-CD1 3.9Å; L227-I233 HydrophobicContact CG-CD1 4.37Å; L227-L251 HydrophobicContact CD1-CD1 4.26Å; L227-L251 HydrophobicContact CD2-CD1 3.91Å; L227-L251 HydrophobicContact CG-CD1 3.9Å; L227-A252 PolarHBondContact N-O 2.89Å; L227-M253 HydrophobicContact CB-CB 4.47Å; L227-M253 HydrophobicContact CD1-CB 3.88Å; L227-M253 HydrophobicContact CG-CB 4.17Å; L227-E257 HydrophobicContact CB-CB 4.1Å; L227-E257 HydrophobicContact CB-CG 4.18Å; L227-E257 HydrophobicContact CD1-CB 4.12Å; L227-L261 HydrophobicContact CD1-CD2 4.09Å
228G83.1Confident94.2Very high1 Ų149.4 Ų49.41%0.0125%0.247CC..  trans-139.488.2-168.300000111.3S194 Y195 V232S194-G228 VanDerWaalsContact OG-CA 3.29Å; S194-G228 WeakPolarHBondContact OG-CA 3.39Å; S194-G228 PolarHBondContact OG-N 2.96Å; Y195-G228 WeakPolarHBondContact CE1-O 3.27Å; Y195-G228 VanDerWaalsContact CZ-CA 3.44Å; G228-V232 WeakPolarHBondContact O-CB 3.33Å; G228-V232 WeakPolarHBondContact O-CG2 3.3Å
229T83.3Confident94.2Very high17 Ų1748.4 Ų48.410%0.10424%0.24CC..  trans60.3139-171.176.30000115Y195 F231 V232 E257Y195-T229 VanDerWaalsContact OH-CG2 3.32Å; Y195-T229 WeakPolarHBondContact OH-CG2 3.29Å; T229-F231 PolarHBondContact O-N 3.32Å; T229-F231 VanDerWaalsContact O-N 3.11Å; T229-V232 PolarHBondContact O-N 2.62Å; T229-E257 WeakPolarHBondContact CA-OE1 3.43Å; T229-E257 PolarHBondContact N-OE1 3.4Å
230K89.2Confident94.2Very high75 Ų7544.2 Ų44.233%0.32622%0.223SC..Hα-helixtrans-53.5-32175.365.3-176.9169.8-158.10114.1I233 A234 D256 A260K230-I233 PolarHBondContact O-N 3.18Å; K230-A234 VanDerWaalsContact O-CB 3.23Å; K230-A234 WeakPolarHBondContact O-CB 3.24Å; K230-A234 PolarHBondContact O-N 3.42Å; K230-D256 HydrophobicContact CB-CB 4.4Å; K230-D256 WeakPolarHBondContact CB-O 3.28Å; K230-D256 HydrophobicContact CD-CB 4.03Å; K230-D256 IonicContact NZ-OD2 3.12Å; K230-D256 PolarHBondContact NZ-OD2 3.45Å; K230-A260 HydrophobicContact CB-CB 3.95Å
231F88Confident94.2Very high78 Ų7842.5 Ų42.534%0.34221%0.213SC..Hα-helixtrans-66.7-42.6-176.3-55.2-71.2000112.2H64 T229 I233 A234 E235H64-F231 AromaticContact CD2-CD2 3.4Å; H64-F231 WeakPolarHBondContact CD2-CD2 3.4Å; H64-F231 AromaticContact CD2-CE2 3.63Å; H64-F231 AromaticContact CD2-CG 3.62Å; H64-F231 AromaticContact CE1-CD2 3.9Å; H64-F231 AromaticContact CE1-CE1 3.58Å; H64-F231 AromaticContact CE1-CE2 3.3Å; H64-F231 WeakPolarHBondContact CE1-CE2 3.42Å; H64-F231 AromaticContact CE1-CZ 3.12Å; H64-F231 WeakPolarHBondContact CE1-CZ 3.35Å; H64-F231 AromaticContact CG-CD2 3.77Å; H64-F231 AromaticContact CG-CE2 3.7Å; H64-F231 AromaticContact ND1-CE2 3.49Å; H64-F231 WeakPolarHBondContact ND1-CE2 3.44Å; H64-F231 AromaticContact ND1-CZ 3.78Å; H64-F231 AromaticContact NE2-CD1 3.44Å; H64-F231 WeakPolarHBondContact NE2-CD1 3.26Å; H64-F231 AromaticContact NE2-CD2 3.51Å; H64-F231 AromaticContact NE2-CE1 3.33Å; H64-F231 VanDerWaalsContact NE2-CE1 3.33Å; H64-F231 WeakPolarHBondContact NE2-CE1 3.17Å; H64-F231 AromaticContact NE2-CE2 3.4Å; H64-F231 WeakPolarHBondContact NE2-CE2 3.33Å; H64-F231 AromaticContact NE2-CG 3.53Å; H64-F231 AromaticContact NE2-CZ 3.31Å; H64-F231 VanDerWaalsContact NE2-CZ 3.31Å; H64-F231 WeakPolarHBondContact NE2-CZ 3.43Å; T229-F231 PolarHBondContact O-N 3.32Å; T229-F231 VanDerWaalsContact O-N 3.11Å; F231-I233 VanDerWaalsContact C-N 3.27Å; F231-I233 PolarHBondContact O-N 3.23Å; F231-A234 PolarHBondContact O-N 3.38Å; F231-E235 PolarHBondContact O-N 3.32Å
232V89Confident94.2Very high18 Ų1846.4 Ų46.411%0.10923%0.23CC..Hα-helixtrans-64.9-34.7176.8175.20000111.2Y195 G228 T229 W240Y195-V232 HydrophobicContact CE1-CG2 4.45Å; G228-V232 WeakPolarHBondContact O-CB 3.33Å; G228-V232 WeakPolarHBondContact O-CG2 3.3Å; T229-V232 PolarHBondContact O-N 2.62Å; V232-W240 HydrophobicContact CG1-CZ2 4.4Å
233I93.5Very high94.2Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-77-40.6-179.6-54.6-53.2000111.3L227 K230 F231 E235 N236 P237 W240 A260 L261L227-I233 HydrophobicContact CB-CD1 4.24Å; L227-I233 HydrophobicContact CB-CG1 4.28Å; L227-I233 HydrophobicContact CD1-CD1 4.35Å; L227-I233 HydrophobicContact CD1-CG1 4.23Å; L227-I233 HydrophobicContact CD2-CD1 3.9Å; L227-I233 HydrophobicContact CG-CD1 4.37Å; K230-I233 PolarHBondContact O-N 3.18Å; F231-I233 VanDerWaalsContact C-N 3.27Å; F231-I233 PolarHBondContact O-N 3.23Å; I233-E235 PolarHBondContact O-N 3.12Å; I233-N236 CarbonylContact O-C 3.33Å; I233-N236 PolarHBondContact O-N 3.46Å; I233-P237 WeakPolarHBondContact O-CD 3.34Å; I233-W240 HydrophobicContact CD1-CD2 3.99Å; I233-W240 HydrophobicContact CD1-CG 4.14Å; I233-W240 HydrophobicContact CD1-CZ2 4.2Å; I233-A260 HydrophobicContact CB-CB 4.2Å; I233-A260 HydrophobicContact CG2-CB 4.22Å; I233-L261 HydrophobicContact CG2-CB 3.84Å; I233-L261 HydrophobicContact CG2-CD1 4.12Å
234A93.1Very high94.2Very high57 Ų5746.3 Ų46.347%0.47123%0.228SC..Hα-helixtrans-65.7-20.6-177.900000114K230 F231 N236 A260K230-A234 VanDerWaalsContact O-CB 3.23Å; K230-A234 WeakPolarHBondContact O-CB 3.24Å; K230-A234 PolarHBondContact O-N 3.42Å; F231-A234 PolarHBondContact O-N 3.38Å; A234-N236 VanDerWaalsContact C-N 3.33Å; A234-N236 PolarHBondContact O-N 2.99Å; A234-A260 HydrophobicContact CB-CB 4.29Å
235E92.5Very high94.2Very high168 Ų16851.2 Ų51.279%0.78525%0.249SC*.THydrogen-bonded Turntrans-61.9-39.6175-75.1179.4-166.100112.5F231 I233F231-E235 PolarHBondContact O-N 3.32Å; I233-E235 PolarHBondContact O-N 3.12Å
236N93.9Very high94.2Very high79 Ų7954.8 Ų54.842%0.42227%0.268SS..  trans-153.574.9178-164-19.2000112.6I233 A234 Q238 W239 W240I233-N236 CarbonylContact O-C 3.33Å; I233-N236 PolarHBondContact O-N 3.46Å; A234-N236 VanDerWaalsContact C-N 3.33Å; A234-N236 PolarHBondContact O-N 2.99Å; N236-Q238 VanDerWaalsContact C-N 3.26Å; N236-Q238 PolarHBondContact O-N 2.94Å; N236-W239 HydrophobicContact CB-CB 4.07Å; N236-W239 PolarHBondContact O-N 2.78Å; N236-W239 WeakPolarHBondContact OD1-CB 3.46Å; N236-W239 PolarHBondContact OD1-N 3.21Å; N236-W239 VanDerWaalsContact OD1-N 3.08Å; N236-W240 PolarHBondContact O-N 3.1Å
237P95.9Very high94.2Very high39 Ų3956.4 Ų56.425%0.25328%0.275SS..Hα-helixtrans-59.5-37.3-178.3-24.634.5000112.6I233 W239 W240 Q241 A260I233-P237 WeakPolarHBondContact O-CD 3.34Å; P237-W239 PolarHBondContact O-N 3.14Å; P237-W240 PolarHBondContact O-N 3.18Å; P237-Q241 VanDerWaalsContact O-CG 3.23Å; P237-Q241 WeakPolarHBondContact O-CG 3.33Å; P237-Q241 PolarHBondContact O-N 3.28Å; P237-A260 WeakPolarHBondContact CG-O 3.25Å
238Q97.4Very high94.4Very high150 Ų15056.6 Ų56.670%0.70128%0.277SS*.Hα-helixtrans-64.6-38.4-178.9-68.1179.7-4.200112.5N236 Q241 Q242N236-Q238 VanDerWaalsContact C-N 3.26Å; N236-Q238 PolarHBondContact O-N 2.94Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q238-Q242 PolarHBondContact O-N 2.84Å
239W97.6Very high95.1Very high112 Ų11256.8 Ų56.842%0.42428%0.278SS..Hα-helixtrans-64-44.2175.1-176.592000111.2V197 N236 P237 Q242 F243V197-W239 HydrophobicContact CG1-CH2 4.11Å; V197-W239 HydrophobicContact CG2-CH2 4.48Å; V197-W239 HydrophobicContact CG2-CZ3 4.46Å; N236-W239 HydrophobicContact CB-CB 4.07Å; N236-W239 PolarHBondContact O-N 2.78Å; N236-W239 WeakPolarHBondContact OD1-CB 3.46Å; N236-W239 PolarHBondContact OD1-N 3.21Å; N236-W239 VanDerWaalsContact OD1-N 3.08Å; P237-W239 PolarHBondContact O-N 3.14Å; W239-Q242 PolarHBondContact O-N 2.95Å; W239-F243 HydrophobicContact CE3-CB 4.47Å; W239-F243 HydrophobicContact CH2-CB 4.38Å; W239-F243 AromaticContact CH2-CD2 3.76Å; W239-F243 HydrophobicContact CH2-CD2 3.76Å; W239-F243 HydrophobicContact CH2-CE2 4.32Å; W239-F243 HydrophobicContact CH2-CG 4.17Å; W239-F243 HydrophobicContact CZ2-CD2 4.15Å; W239-F243 HydrophobicContact CZ3-CB 4.23Å; W239-F243 HydrophobicContact CZ3-CD2 4.36Å; W239-F243 HydrophobicContact CZ3-CG 4.31Å; W239-F243 WeakPolarHBondContact O-CB 3.45Å; W239-F243 PolarHBondContact O-N 3.25Å
240W98.2Very high95.8Very high9 Ų956.3 Ų56.33%0.03428%0.275CS..Hα-helixtrans-61.8-44.1175.2-75.8112.3000112.1V197 L225 V232 I233 N236 P237 Q242 F243 L244 L261V197-W240 HydrophobicContact CG1-CH2 4.46Å; V197-W240 HydrophobicContact CG2-CH2 3.58Å; V197-W240 HydrophobicContact CG2-CZ2 3.67Å; L225-W240 HydrophobicContact CD2-CE3 4.11Å; L225-W240 HydrophobicContact CD2-CZ3 3.91Å; V232-W240 HydrophobicContact CG1-CZ2 4.4Å; I233-W240 HydrophobicContact CD1-CD2 3.99Å; I233-W240 HydrophobicContact CD1-CG 4.14Å; I233-W240 HydrophobicContact CD1-CZ2 4.2Å; N236-W240 PolarHBondContact O-N 3.1Å; P237-W240 PolarHBondContact O-N 3.18Å; W240-Q242 VanDerWaalsContact C-N 3.29Å; W240-Q242 PolarHBondContact O-N 3.23Å; W240-F243 HydrophobicContact CE3-CD1 4.43Å; W240-F243 HydrophobicContact CZ3-CD1 4.35Å; W240-F243 PolarHBondContact O-N 2.8Å; W240-L244 VanDerWaalsContact O-CG 3.23Å; W240-L244 WeakPolarHBondContact O-CG 3.29Å; W240-L244 PolarHBondContact O-N 2.98Å; W240-L261 HydrophobicContact CB-CD1 3.69Å
241Q98.2Very high96.3Very high43 Ų4352.8 Ų52.820%0.20126%0.259CS..Hα-helixtrans-57.9-41.5175.9-69.1174.214.100112.3P237 Q238 K245 L261 W277P237-Q241 VanDerWaalsContact O-CG 3.23Å; P237-Q241 WeakPolarHBondContact O-CG 3.33Å; P237-Q241 PolarHBondContact O-N 3.28Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q241-K245 WeakPolarHBondContact O-CG 3.26Å; Q241-K245 PolarHBondContact O-N 3.28Å; Q241-L261 HydrophobicContact CG-CD1 3.94Å; Q241-L261 PolarHBondContact NE2-O 3.15Å; Q241-W277 HydrophobicContact CB-CD2 4.33Å; Q241-W277 HydrophobicContact CB-CH2 4.42Å; Q241-W277 HydrophobicContact CB-CZ2 4.17Å; Q241-W277 HydrophobicContact CG-CD2 4.32Å; Q241-W277 HydrophobicContact CG-CE3 4.19Å; Q241-W277 HydrophobicContact CG-CH2 3.45Å; Q241-W277 VanDerWaalsContact CG-CH2 3.45Å; Q241-W277 HydrophobicContact CG-CZ2 3.57Å; Q241-W277 HydrophobicContact CG-CZ3 3.78Å
242Q98.3Very high96.8Very high89 Ų8949.2 Ų49.242%0.41624%0.244SC..Hα-helixtrans-69.5-42.9176.7-171.656.543.300111.6Q238 W239 W240 L244 K245 D246Q238-Q242 PolarHBondContact O-N 2.84Å; W239-Q242 PolarHBondContact O-N 2.95Å; W240-Q242 VanDerWaalsContact C-N 3.29Å; W240-Q242 PolarHBondContact O-N 3.23Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 2.87Å; Q242-K245 PolarHBondContact O-N 3.04Å; Q242-D246 PolarHBondContact NE2-OD1 2.76Å; Q242-D246 PolarHBondContact NE2-OD2 3.13Å; Q242-D246 PolarHBondContact O-N 3.45Å
243F98.3Very high97.2Very high20 Ų2048.7 Ų48.79%0.08824%0.241CC..Hα-helixtrans-57.9-40.9175.4-174.6-89.7000112M210 I213 L225 W239 W240 D246 H247 V248M210-F243 HydrophobicContact SD-CE2 3.94Å; I213-F243 HydrophobicContact CD1-CE2 4.47Å; I213-F243 HydrophobicContact CD1-CZ 3.85Å; L225-F243 HydrophobicContact CD2-CD1 4.26Å; L225-F243 HydrophobicContact CD2-CE1 4.27Å; W239-F243 HydrophobicContact CE3-CB 4.47Å; W239-F243 HydrophobicContact CH2-CB 4.38Å; W239-F243 AromaticContact CH2-CD2 3.76Å; W239-F243 HydrophobicContact CH2-CD2 3.76Å; W239-F243 HydrophobicContact CH2-CE2 4.32Å; W239-F243 HydrophobicContact CH2-CG 4.17Å; W239-F243 HydrophobicContact CZ2-CD2 4.15Å; W239-F243 HydrophobicContact CZ3-CB 4.23Å; W239-F243 HydrophobicContact CZ3-CD2 4.36Å; W239-F243 HydrophobicContact CZ3-CG 4.31Å; W239-F243 WeakPolarHBondContact O-CB 3.45Å; W239-F243 PolarHBondContact O-N 3.25Å; W240-F243 HydrophobicContact CE3-CD1 4.43Å; W240-F243 HydrophobicContact CZ3-CD1 4.35Å; W240-F243 PolarHBondContact O-N 2.8Å; F243-D246 PolarHBondContact O-N 2.93Å; F243-H247 AromaticContact CD2-CD2 3.87Å; F243-H247 AromaticContact CE2-CD2 3.96Å; F243-H247 WeakPolarHBondContact O-CB 3.43Å; F243-H247 PolarHBondContact O-CD2 2.58Å; F243-H247 PolarHBondContact O-N 3.23Å; F243-H247 VanDerWaalsContact O-N 3.07Å; F243-V248 HydrophobicContact CD1-CG2 4.08Å; F243-V248 HydrophobicContact CE1-CG2 3.96Å
244L98.6Very high97.2Very high1 Ų151.2 Ų51.21%0.00525%0.254CS..Hα-helixtrans-60.4-52.8176.1-70.8171.9000111.3L225 W240 Q242 D246 H247 V248 L251 L261 W277 V278L225-L244 HydrophobicContact CD2-CD2 3.81Å; W240-L244 VanDerWaalsContact O-CG 3.23Å; W240-L244 WeakPolarHBondContact O-CG 3.29Å; W240-L244 PolarHBondContact O-N 2.98Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 2.87Å; L244-D246 VanDerWaalsContact C-N 3.26Å; L244-D246 PolarHBondContact O-N 3.2Å; L244-H247 PolarHBondContact O-N 3.36Å; L244-V248 HydrophobicContact CD2-CB 3.77Å; L244-V248 HydrophobicContact CD2-CG1 3.85Å; L244-V248 HydrophobicContact CD2-CG2 3.85Å; L244-V248 PolarHBondContact O-N 2.88Å; L244-L251 HydrophobicContact CD1-CD2 4.16Å; L244-L251 HydrophobicContact CD2-CD1 3.9Å; L244-L261 HydrophobicContact CD1-CD1 4.22Å; L244-L261 HydrophobicContact CD1-CD2 3.64Å; L244-W277 HydrophobicContact CB-CB 3.85Å; L244-W277 HydrophobicContact CD1-CE3 3.69Å; L244-W277 HydrophobicContact CD1-CZ3 4.32Å; L244-V278 HydrophobicContact CB-CG1 4.02Å; L244-V278 HydrophobicContact CD2-CG1 4Å; L244-V278 HydrophobicContact CG-CG1 4.49Å
245K98.2Very high97.3Very high103 Ų10351.2 Ų51.245%0.44825%0.245SC..Hα-helixtrans-55.3-42.1178.2-70.7171.8-174.21730112.6Q241 Q242 W277Q241-K245 WeakPolarHBondContact O-CG 3.26Å; Q241-K245 PolarHBondContact O-N 3.28Å; Q242-K245 PolarHBondContact O-N 3.04Å; K245-W277 VanDerWaalsContact CE-NE1 3.27Å; K245-W277 HydrophobicContact CG-CB 3.71Å; K245-W277 HydrophobicContact CG-CG 3.78Å
246D98.2Very high97.4Very high78 Ų7846.7 Ų46.742%0.41723%0.226SC..Hα-helixtrans-79.2-30.7-171.7-70.5-24.6000112.6K217 Q242 F243 L244K217-D246 WeakPolarHBondContact CE-O 3.4Å; K217-D246 PolarHBondContact NZ-O 3.14Å; Q242-D246 PolarHBondContact NE2-OD1 2.76Å; Q242-D246 PolarHBondContact NE2-OD2 3.13Å; Q242-D246 PolarHBondContact O-N 3.45Å; F243-D246 PolarHBondContact O-N 2.93Å; L244-D246 VanDerWaalsContact C-N 3.26Å; L244-D246 PolarHBondContact O-N 3.2Å
247H98.3Very high97.5Very high42 Ų4243.6 Ų43.619%0.19421%0.209CC..Hα-helixtrans-130.7-30-165-58.3-70.8000115.2I213 K217 V223 F243 L244I213-H247 HydrophobicContact CD1-CB 4.4Å; I213-H247 HydrophobicContact CG2-CB 4Å; I213-H247 VanDerWaalsContact CG2-ND1 3.33Å; I213-H247 WeakPolarHBondContact CG2-ND1 3.37Å; K217-H247 WeakPolarHBondContact CE-ND1 3.48Å; K217-H247 PolarHBondContact NZ-CE1 3.48Å; K217-H247 VanDerWaalsContact NZ-CE1 3.35Å; K217-H247 PolarHBondContact NZ-ND1 3.23Å; V223-H247 VanDerWaalsContact CB-O 3.24Å; V223-H247 WeakPolarHBondContact CB-O 3.13Å; V223-H247 WeakPolarHBondContact CG2-O 3.42Å; F243-H247 AromaticContact CD2-CD2 3.87Å; F243-H247 AromaticContact CE2-CD2 3.96Å; F243-H247 WeakPolarHBondContact O-CB 3.43Å; F243-H247 PolarHBondContact O-CD2 2.58Å; F243-H247 PolarHBondContact O-N 3.23Å; F243-H247 VanDerWaalsContact O-N 3.07Å; L244-H247 PolarHBondContact O-N 3.36Å
248V98.7Very high97.6Very high10 Ų1041.8 Ų41.86%0.06120%0.197CC..  trans-100.6135-164.3-177.60000111.3V223 L225 F243 L244 I250 V278V223-V248 HydrophobicContact CG1-CG2 4.43Å; L225-V248 HydrophobicContact CB-CG1 3.83Å; L225-V248 HydrophobicContact CB-CG2 3.91Å; L225-V248 HydrophobicContact CD2-CG2 4.23Å; F243-V248 HydrophobicContact CD1-CG2 4.08Å; F243-V248 HydrophobicContact CE1-CG2 3.96Å; L244-V248 HydrophobicContact CD2-CB 3.77Å; L244-V248 HydrophobicContact CD2-CG1 3.85Å; L244-V248 HydrophobicContact CD2-CG2 3.85Å; L244-V248 PolarHBondContact O-N 2.88Å; V248-I250 WeakPolarHBondContact CG1-O 3.37Å; V248-V278 HydrophobicContact CB-CG1 4Å; V248-V278 HydrophobicContact CG1-CG1 3.85Å
249S98.7Very high97.6Very high4 Ų439.1 Ų39.13%0.02819%0.185CC..SBendtrans-102.6-33.3175.4-177.90000110.9V223 D279 L280 R326V223-S249 PolarHBondContact O-N 2.89Å; S249-D279 WeakPolarHBondContact CB-OD2 3.41Å; S249-D279 WeakPolarHBondContact O-CA 3.48Å; S249-D279 VanDerWaalsContact O-CB 3.24Å; S249-D279 WeakPolarHBondContact O-CB 3.46Å; S249-D279 PolarHBondContact O-N 3.15Å; S249-D279 PolarHBondContact OG-OD2 3.28Å; S249-L280 PolarHBondContact O-N 2.75Å; S249-L280 VanDerWaalsContact O-N 3.13Å; S249-R326 PolarHBondContact OG-NE 3.48Å
250I98.8Very high97.6Very high8 Ų834.9 Ų34.94%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-131.1128.2-177-52.9177000109.6V223 V224 L225 V248 L280 L364 I368V223-I250 PolarHBondContact O-N 3.44Å; V224-I250 CarbonylContact C-O 3.58Å; V224-I250 VanDerWaalsContact CA-O 3.28Å; V224-I250 WeakPolarHBondContact CA-O 3.34Å; V224-I250 HydrophobicContact CB-CB 4.31Å; V224-I250 HydrophobicContact CG1-CB 4.05Å; V224-I250 HydrophobicContact CG1-CG2 4.07Å; V224-I250 HydrophobicContact CG2-CB 4Å; V224-I250 HydrophobicContact CG2-CD1 4.04Å; V224-I250 HydrophobicContact CG2-CG1 4.37Å; L225-I250 PolarHBondContact N-O 3.31Å; V248-I250 WeakPolarHBondContact CG1-O 3.37Å; I250-L280 CarbonylContact C-O 3.49Å; I250-L280 VanDerWaalsContact CA-O 3.28Å; I250-L280 WeakPolarHBondContact CA-O 3.27Å; I250-L280 HydrophobicContact CD1-CD2 4.43Å; I250-L280 HydrophobicContact CG1-CB 4.19Å; I250-L280 HydrophobicContact CG2-CB 4.29Å; I250-L280 HydrophobicContact CG2-CD2 4.29Å; I250-L280 HydrophobicContact CG2-CG 4.42Å; I250-L364 HydrophobicContact CG2-CD2 3.97Å; I250-I368 HydrophobicContact CD1-CD1 3.4Å
251L98.7Very high97.6Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-108.7133.2177.2-179.360.1000110.7L225 L227 L244 M253 L261 A274 V278 L280 V281 L282L225-L251 CarbonylContact O-C 3.46Å; L225-L251 WeakPolarHBondContact O-CA 3.22Å; L227-L251 HydrophobicContact CD1-CD1 4.26Å; L227-L251 HydrophobicContact CD2-CD1 3.91Å; L227-L251 HydrophobicContact CG-CD1 3.9Å; L244-L251 HydrophobicContact CD1-CD2 4.16Å; L244-L251 HydrophobicContact CD2-CD1 3.9Å; L251-M253 HydrophobicContact CD2-SD 3.69Å; L251-M253 HydrophobicContact CG-SD 4.19Å; L251-L261 HydrophobicContact CD2-CD2 3.94Å; L251-A274 HydrophobicContact CD2-CB 3.94Å; L251-V278 HydrophobicContact CB-CG1 4.37Å; L251-V278 HydrophobicContact CB-CG2 3.91Å; L251-L280 PolarHBondContact N-O 3.23Å; L251-V281 HydrophobicContact CB-CG2 4.45Å; L251-V281 CarbonylContact O-C 3.45Å; L251-V281 WeakPolarHBondContact O-CA 3.39Å; L251-L282 PolarHBondContact O-N 3.45Å
252A98.3Very high97.6Very high4 Ų432.8 Ų32.83%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-116.8133.3165.800000109.8L225 T226 L227 L282 L361L225-A252 PolarHBondContact O-N 2.88Å; T226-A252 VanDerWaalsContact CA-O 3.31Å; T226-A252 WeakPolarHBondContact CA-O 3.31Å; L227-A252 PolarHBondContact N-O 2.89Å; A252-L282 WeakPolarHBondContact CA-O 3.33Å; A252-L361 HydrophobicContact CB-CB 4.48Å; A252-L361 HydrophobicContact CB-CD1 4.11Å; A252-L361 HydrophobicContact CB-CD2 4.06Å; A252-L361 HydrophobicContact CB-CG 4.44Å
253M96.8Very high97.5Very high6 Ų631.4 Ų31.43%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-153.5163.8-178.561-166.9-174.200110.7L227 L251 E257 A258 V281 L282 C283 T284L227-M253 HydrophobicContact CB-CB 4.47Å; L227-M253 HydrophobicContact CD1-CB 3.88Å; L227-M253 HydrophobicContact CG-CB 4.17Å; L251-M253 HydrophobicContact CD2-SD 3.69Å; L251-M253 HydrophobicContact CG-SD 4.19Å; M253-E257 HydrophobicContact CB-CB 4.24Å; M253-A258 HydrophobicContact CE-CB 3.52Å; M253-A258 HydrophobicContact CG-CB 4.01Å; M253-A258 HydrophobicContact SD-CB 3.52Å; M253-A258 VanDerWaalsContact SD-CB 3.52Å; M253-V281 HydrophobicContact CE-CG1 3.57Å; M253-L282 PolarHBondContact N-O 3.29Å; M253-C283 HydrophobicContact CE-CB 3.88Å; M253-C283 HydrophobicContact CG-CB 4.18Å; M253-C283 CarbonylContact O-C 3.5Å; M253-C283 WeakPolarHBondContact O-CA 3.26Å; M253-T284 PolarHBondContact O-N 3.49Å; M253-T284 PolarHBondContact O-OG1 2.62Å
254N94.9Very high97.5Very high53 Ų5333.5 Ų33.528%0.28318%0.184SC..EExtended strand (participates in β ladder)trans-97.3172.1158.864.845.8000111.7D256 E257 A258 T284N254-D256 VanDerWaalsContact C-N 3.32Å; N254-D256 PolarHBondContact O-N 3.21Å; N254-D256 WeakPolarHBondContact OD1-CB 3.28Å; N254-D256 PolarHBondContact OD1-N 3.39Å; N254-E257 VanDerWaalsContact CG-CD 3.46Å; N254-E257 PolarHBondContact N-OE2 3.45Å; N254-E257 PolarHBondContact ND2-OE1 3.1Å; N254-E257 PolarHBondContact ND2-OE2 3.11Å; N254-E257 PolarHBondContact O-N 2.97Å; N254-E257 WeakPolarHBondContact OD1-CB 3.49Å; N254-E257 VanDerWaalsContact OD1-CG 3.27Å; N254-E257 WeakPolarHBondContact OD1-CG 3.43Å; N254-E257 PolarHBondContact OD1-N 2.91Å; N254-A258 VanDerWaalsContact O-CB 3.26Å; N254-A258 WeakPolarHBondContact O-CB 3.32Å; N254-A258 PolarHBondContact O-N 3.35Å; N254-T284 CarbonylContact C-O 3.57Å; N254-T284 WeakPolarHBondContact CA-O 3.43Å; N254-T284 WeakPolarHBondContact CA-OG1 3.32Å; N254-T284 WeakPolarHBondContact CB-OG1 3.24Å
255E95.3Very high97.5Very high58 Ų5838 Ų3827%0.27122%0.215SC..Hα-helixtrans-58.3-40-178.962.7-164.7151.400113.5A258 E259 P267 T284 A285E255-A258 WeakPolarHBondContact O-CB 3.36Å; E255-A258 PolarHBondContact O-N 3Å; E255-E259 PolarHBondContact O-N 2.79Å; E255-P267 HydrophobicContact CB-CG 3.9Å; E255-T284 PolarHBondContact N-O 2.92Å; E255-A285 HydrophobicContact CB-CB 4.38Å
256D93.9Very high97.5Very high72 Ų7235.5 Ų35.539%0.38521%0.207SC..Hα-helixtrans-65.8-42.4178-96.515.3000112.1K230 N254 A260K230-D256 HydrophobicContact CB-CB 4.4Å; K230-D256 WeakPolarHBondContact CB-O 3.28Å; K230-D256 HydrophobicContact CD-CB 4.03Å; K230-D256 IonicContact NZ-OD2 3.12Å; K230-D256 PolarHBondContact NZ-OD2 3.45Å; N254-D256 VanDerWaalsContact C-N 3.32Å; N254-D256 PolarHBondContact O-N 3.21Å; N254-D256 WeakPolarHBondContact OD1-CB 3.28Å; N254-D256 PolarHBondContact OD1-N 3.39Å; D256-A260 WeakPolarHBondContact O-CB 3.36Å; D256-A260 PolarHBondContact O-N 3.3Å; D256-A260 VanDerWaalsContact O-N 3.13Å
257E95.7Very high97.5Very high15 Ų1532.2 Ų32.27%0.0719%0.19CC..Hα-helixtrans-70.3-35.8175.1-71.4161.1176.200111.5L227 T229 M253 N254 A260 L261L227-E257 HydrophobicContact CB-CB 4.1Å; L227-E257 HydrophobicContact CB-CG 4.18Å; L227-E257 HydrophobicContact CD1-CB 4.12Å; T229-E257 WeakPolarHBondContact CA-OE1 3.43Å; T229-E257 PolarHBondContact N-OE1 3.4Å; M253-E257 HydrophobicContact CB-CB 4.24Å; N254-E257 VanDerWaalsContact CG-CD 3.46Å; N254-E257 PolarHBondContact N-OE2 3.45Å; N254-E257 PolarHBondContact ND2-OE1 3.1Å; N254-E257 PolarHBondContact ND2-OE2 3.11Å; N254-E257 PolarHBondContact O-N 2.97Å; N254-E257 WeakPolarHBondContact OD1-CB 3.49Å; N254-E257 VanDerWaalsContact OD1-CG 3.27Å; N254-E257 WeakPolarHBondContact OD1-CG 3.43Å; N254-E257 PolarHBondContact OD1-N 2.91Å; E257-A260 PolarHBondContact O-N 3.35Å; E257-L261 WeakPolarHBondContact O-CB 3.16Å; E257-L261 PolarHBondContact O-N 2.94Å
258A97.7Very high97.5Very high1 Ų130.5 Ų30.51%0.00818%0.182CC..Hα-helixtrans-65.4-45.4176.700000111.2M253 N254 E255 L261 T262 A270M253-A258 HydrophobicContact CE-CB 3.52Å; M253-A258 HydrophobicContact CG-CB 4.01Å; M253-A258 HydrophobicContact SD-CB 3.52Å; M253-A258 VanDerWaalsContact SD-CB 3.52Å; N254-A258 VanDerWaalsContact O-CB 3.26Å; N254-A258 WeakPolarHBondContact O-CB 3.32Å; N254-A258 PolarHBondContact O-N 3.35Å; E255-A258 WeakPolarHBondContact O-CB 3.36Å; E255-A258 PolarHBondContact O-N 3Å; A258-L261 PolarHBondContact O-N 2.84Å; A258-T262 VanDerWaalsContact O-CB 3.31Å; A258-T262 WeakPolarHBondContact O-CB 3.08Å; A258-T262 WeakPolarHBondContact O-CG2 3.29Å; A258-T262 PolarHBondContact O-N 3.3Å; A258-T262 PolarHBondContact O-OG1 3.01Å; A258-A270 HydrophobicContact CB-CB 3.75Å
259E98.1Very high97.5Very high94 Ų9432.6 Ų32.644%0.43919%0.193SC..Hα-helixtrans-61.9-44.4174.2-174.6-180177.500110.6E255 L261 T262 G263 E264E255-E259 PolarHBondContact O-N 2.79Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 3.48Å; E259-T262 PolarHBondContact O-N 2.87Å; E259-G263 VanDerWaalsContact O-CA 3.26Å; E259-G263 WeakPolarHBondContact O-CA 3.34Å; E259-G263 PolarHBondContact O-N 3.5Å; E259-E264 WeakPolarHBondContact CA-O 3.28Å
260A97.5Very high97.5Very high23 Ų2332.4 Ų32.419%0.1919%0.192CC..Hα-helixtrans-61-36.417700000113.2K230 I233 A234 P237 D256 E257K230-A260 HydrophobicContact CB-CB 3.95Å; I233-A260 HydrophobicContact CB-CB 4.2Å; I233-A260 HydrophobicContact CG2-CB 4.22Å; A234-A260 HydrophobicContact CB-CB 4.29Å; P237-A260 WeakPolarHBondContact CG-O 3.25Å; D256-A260 WeakPolarHBondContact O-CB 3.36Å; D256-A260 PolarHBondContact O-N 3.3Å; D256-A260 VanDerWaalsContact O-N 3.13Å; E257-A260 PolarHBondContact O-N 3.35Å
261L98.3Very high97.5Very high1 Ų132 Ų321%0.00519%0.19CC..Hα-helixtrans-75.6-40.4178.5-179.863000112.6L227 I233 W240 Q241 L244 L251 E257 A258 E259 W277L227-L261 HydrophobicContact CD1-CD2 4.09Å; I233-L261 HydrophobicContact CG2-CB 3.84Å; I233-L261 HydrophobicContact CG2-CD1 4.12Å; W240-L261 HydrophobicContact CB-CD1 3.69Å; Q241-L261 HydrophobicContact CG-CD1 3.94Å; Q241-L261 PolarHBondContact NE2-O 3.15Å; L244-L261 HydrophobicContact CD1-CD1 4.22Å; L244-L261 HydrophobicContact CD1-CD2 3.64Å; L251-L261 HydrophobicContact CD2-CD2 3.94Å; E257-L261 WeakPolarHBondContact O-CB 3.16Å; E257-L261 PolarHBondContact O-N 2.94Å; A258-L261 PolarHBondContact O-N 2.84Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 3.48Å; L261-W277 HydrophobicContact CD1-CZ3 4.39Å; L261-W277 HydrophobicContact CD2-CE3 4.4Å; L261-W277 HydrophobicContact CD2-CZ3 3.81Å; L261-W277 HydrophobicContact CG-CH2 4.46Å; L261-W277 HydrophobicContact CG-CZ3 3.84Å
262T97.9Very high97.5Very high7 Ų733.7 Ų33.74%0.04320%0.199CC..Hα-helixtrans-110-23.3-163.767.80000113.8A258 E259 E264 A270 K273 W277A258-T262 VanDerWaalsContact O-CB 3.31Å; A258-T262 WeakPolarHBondContact O-CB 3.08Å; A258-T262 WeakPolarHBondContact O-CG2 3.29Å; A258-T262 PolarHBondContact O-N 3.3Å; A258-T262 PolarHBondContact O-OG1 3.01Å; E259-T262 PolarHBondContact O-N 2.87Å; T262-E264 PolarHBondContact OG1-N 3.05Å; T262-E264 VanDerWaalsContact OG1-N 3.12Å; T262-A270 HydrophobicContact CG2-CB 4.18Å; T262-A270 WeakPolarHBondContact OG1-CB 3.23Å; T262-K273 WeakPolarHBondContact O-CE 3.42Å; T262-K273 PolarHBondContact O-NZ 2.81Å; T262-W277 HydrophobicContact CG2-CH2 4.04Å; T262-W277 HydrophobicContact CG2-CZ3 4.08Å
263G97.7Very high97.5Very high60 Ų6036.6 Ų36.662%0.61921%0.211SC*.SBendtrans75.44.7-168.300000114.4E259E259-G263 VanDerWaalsContact O-CA 3.26Å; E259-G263 WeakPolarHBondContact O-CA 3.34Å; E259-G263 PolarHBondContact O-N 3.5Å
264E98.1Very high97.6Very high63 Ų6336.3 Ų36.329%0.29421%0.209SC..  trans-99.4120.9179.7-50.5-61158.700109.9E259 T262 D266 L269 A270 K273E259-E264 WeakPolarHBondContact CA-O 3.28Å; T262-E264 PolarHBondContact OG1-N 3.05Å; T262-E264 VanDerWaalsContact OG1-N 3.12Å; E264-D266 VanDerWaalsContact C-N 3.32Å; E264-L269 HydrophobicContact CB-CB 4.16Å; E264-L269 HydrophobicContact CG-CB 4.3Å; E264-A270 HydrophobicContact CB-CB 4.02Å; E264-K273 HydrophobicContact CG-CD 3.89Å; E264-K273 IonicContact OE1-NZ 3.58Å; E264-K273 PolarHBondContact OE1-NZ 2.88Å
265S97.5Very high97.7Very high95 Ų9534.1 Ų34.166%0.66420%0.197SC*.SBendtrans-79.6-13.8177.965.90000113.5P267S265-P267 WeakPolarHBondContact O-CD 3.35Å
266D97.9Very high97.9Very high51 Ų5136 Ų3627%0.27321%0.209SC..SBendtrans-87.9115.9173.2-177.1-21.2000109E264 L268 L269 A270 A312E264-D266 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 2.9Å; D266-L268 VanDerWaalsContact O-N 3.1Å; D266-L268 VanDerWaalsContact OD1-CB 3.31Å; D266-L268 WeakPolarHBondContact OD1-CB 3.46Å; D266-L268 PolarHBondContact OD1-N 3.1Å; D266-L269 HydrophobicContact CB-CB 4.2Å; D266-L269 HydrophobicContact CB-CD1 4.18Å; D266-L269 HydrophobicContact CB-CG 4.11Å; D266-L269 PolarHBondContact O-N 2.78Å; D266-A270 PolarHBondContact O-N 2.77Å; D266-A312 WeakPolarHBondContact OD2-CB 3.34Å
267P98.2Very high98.1Very high10 Ų1033.6 Ų33.67%0.06520%0.195CC..Hα-helixtrans-55.2-30-179.9-26.935.3000114.1E255 S265 S271 A285 Y291E255-P267 HydrophobicContact CB-CG 3.9Å; S265-P267 WeakPolarHBondContact O-CD 3.35Å; P267-S271 WeakPolarHBondContact O-CB 3.23Å; P267-S271 PolarHBondContact O-N 2.92Å; P267-S271 PolarHBondContact O-OG 2.79Å; P267-A285 HydrophobicContact CB-CB 4.49Å; P267-A285 HydrophobicContact CG-CB 4.17Å; P267-Y291 HydrophobicContact CB-CD2 3.76Å; P267-Y291 HydrophobicContact CB-CE2 3.87Å; P267-Y291 HydrophobicContact CG-CE2 4.31Å
268L98.5Very high98.3Very high5 Ų533.1 Ų33.13%0.02619%0.193CC..Hα-helixtrans-68.9-46177.2178.260.3000111.1D266 S271 D272 Y291 I313 F316 Y337D266-L268 PolarHBondContact O-N 2.9Å; D266-L268 VanDerWaalsContact O-N 3.1Å; D266-L268 VanDerWaalsContact OD1-CB 3.31Å; D266-L268 WeakPolarHBondContact OD1-CB 3.46Å; D266-L268 PolarHBondContact OD1-N 3.1Å; L268-S271 PolarHBondContact O-N 2.68Å; L268-D272 WeakPolarHBondContact O-CB 3.28Å; L268-D272 PolarHBondContact O-N 2.8Å; L268-Y291 HydrophobicContact CB-CD1 4.41Å; L268-Y291 HydrophobicContact CB-CE1 4.3Å; L268-Y291 HydrophobicContact CD1-CD1 4.45Å; L268-I313 HydrophobicContact CD1-CD1 4.4Å; L268-I313 HydrophobicContact CD2-CB 4.15Å; L268-I313 HydrophobicContact CD2-CG1 4.41Å; L268-I313 HydrophobicContact CG-CD1 4.23Å; L268-I313 HydrophobicContact CG-CG1 4.44Å; L268-F316 HydrophobicContact CD1-CB 4.21Å; L268-F316 HydrophobicContact CD1-CD2 4.1Å; L268-F316 HydrophobicContact CD1-CG 4.12Å; L268-F316 HydrophobicContact CD2-CB 4.03Å; L268-F316 HydrophobicContact CD2-CD1 3.66Å; L268-F316 HydrophobicContact CD2-CD2 4.43Å; L268-F316 HydrophobicContact CD2-CE1 4.19Å; L268-F316 HydrophobicContact CD2-CG 3.79Å; L268-Y337 HydrophobicContact CD1-CD1 3.95Å; L268-Y337 HydrophobicContact CD1-CG 4.2Å
269L98.6Very high98.3Very high54 Ų5434.1 Ų34.128%0.28320%0.198SC..Hα-helixtrans-69.8-39.6177.4-66-177.1000111.7E264 D266 S271 D272 K273 A312 I313E264-L269 HydrophobicContact CB-CB 4.16Å; E264-L269 HydrophobicContact CG-CB 4.3Å; D266-L269 HydrophobicContact CB-CB 4.2Å; D266-L269 HydrophobicContact CB-CD1 4.18Å; D266-L269 HydrophobicContact CB-CG 4.11Å; D266-L269 PolarHBondContact O-N 2.78Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.31Å; L269-D272 PolarHBondContact O-N 2.52Å; L269-K273 WeakPolarHBondContact O-CB 3.45Å; L269-K273 PolarHBondContact O-N 3.12Å; L269-A312 HydrophobicContact CD1-CB 3.79Å; L269-A312 HydrophobicContact CD2-CB 3.62Å; L269-A312 HydrophobicContact CG-CB 3.65Å; L269-I313 HydrophobicContact CD2-CG1 4.19Å
270A98.6Very high98.3Very high0 Ų030.3 Ų30.30%018%0.181CC..Hα-helixtrans-60.3-44.517400000111.1A258 T262 E264 D266 K273 A274A258-A270 HydrophobicContact CB-CB 3.75Å; T262-A270 HydrophobicContact CG2-CB 4.18Å; T262-A270 WeakPolarHBondContact OG1-CB 3.23Å; E264-A270 HydrophobicContact CB-CB 4.02Å; D266-A270 PolarHBondContact O-N 2.77Å; A270-K273 PolarHBondContact O-N 2.92Å; A270-A274 WeakPolarHBondContact O-CB 3.31Å; A270-A274 PolarHBondContact O-N 3.36Å
271S98.7Very high98.4Very high1 Ų129.2 Ų29.21%0.00717%0.172CC..Hα-helixtrans-65.4-40.6176.5-60.20000112.5P267 L268 L269 A274 L275 C283P267-S271 WeakPolarHBondContact O-CB 3.23Å; P267-S271 PolarHBondContact O-N 2.92Å; P267-S271 PolarHBondContact O-OG 2.79Å; L268-S271 PolarHBondContact O-N 2.68Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.31Å; S271-A274 PolarHBondContact O-N 3.01Å; S271-L275 PolarHBondContact O-N 2.83Å; S271-C283 VanDerWaalsContact OG-CB 3.22Å; S271-C283 WeakPolarHBondContact OG-CB 3.37Å
272D98.7Very high98.4Very high34 Ų3429.5 Ų29.518%0.18217%0.173CC..Hα-helixtrans-63.3-45.1175.8179.863.8000112.4L268 L269 A274 L275 I313 R335 Y337L268-D272 WeakPolarHBondContact O-CB 3.28Å; L268-D272 PolarHBondContact O-N 2.8Å; L269-D272 PolarHBondContact O-N 2.52Å; D272-A274 VanDerWaalsContact C-N 3.29Å; D272-A274 PolarHBondContact O-N 3.49Å; D272-L275 WeakPolarHBondContact O-CB 3.2Å; D272-L275 PolarHBondContact O-N 2.68Å; D272-L275 VanDerWaalsContact O-N 3.1Å; D272-I313 HydrophobicContact CB-CD1 3.85Å; D272-R335 PolarHBondContact O-NH1 2.95Å; D272-R335 VanDerWaalsContact OD1-CD 3.3Å; D272-R335 WeakPolarHBondContact OD1-CD 3.3Å; D272-R335 IonicContact OD1-CZ 2.81Å; D272-R335 IonicContact OD1-NE 3.91Å; D272-R335 IonicContact OD1-NH1 3.19Å; D272-R335 PolarHBondContact OD1-NH1 2.89Å; D272-R335 IonicContact OD2-NH1 2.75Å; D272-R335 PolarHBondContact OD2-NH1 3.03Å; D272-R335 VanDerWaalsContact OD2-NH1 3.12Å; D272-Y337 HydrophobicContact CB-CE1 3.92Å; D272-Y337 WeakPolarHBondContact OD1-CE1 3.44Å; D272-Y337 PolarHBondContact OD1-OH 2.78Å
273K98.6Very high98.4Very high66 Ų6629.1 Ų29.129%0.28717%0.171SC..Hα-helixtrans-62.9-37.5176.5-170.2164.4180-178.90111.8T262 E264 L269 A270 L275 D276 W277T262-K273 WeakPolarHBondContact O-CE 3.42Å; T262-K273 PolarHBondContact O-NZ 2.81Å; E264-K273 HydrophobicContact CG-CD 3.89Å; E264-K273 IonicContact OE1-NZ 3.58Å; E264-K273 PolarHBondContact OE1-NZ 2.88Å; L269-K273 WeakPolarHBondContact O-CB 3.45Å; L269-K273 PolarHBondContact O-N 3.12Å; A270-K273 PolarHBondContact O-N 2.92Å; K273-L275 PolarHBondContact O-N 2.75Å; K273-D276 VanDerWaalsContact O-CB 3.29Å; K273-D276 WeakPolarHBondContact O-CB 3.22Å; K273-D276 PolarHBondContact O-N 3.02Å; K273-D276 VanDerWaalsContact O-N 3.12Å; K273-W277 HydrophobicContact CG-CH2 4.24Å; K273-W277 HydrophobicContact CG-CZ2 4.25Å
274A98.7Very high98.3Very high0 Ų027.6 Ų27.60%015%0.15CC..Hα-helixtrans-64.5-25.5175.200000113.4L251 A270 S271 D272 D276 W277 V278 V281L251-A274 HydrophobicContact CD2-CB 3.94Å; A270-A274 WeakPolarHBondContact O-CB 3.31Å; A270-A274 PolarHBondContact O-N 3.36Å; S271-A274 PolarHBondContact O-N 3.01Å; D272-A274 VanDerWaalsContact C-N 3.29Å; D272-A274 PolarHBondContact O-N 3.49Å; A274-D276 PolarHBondContact O-N 2.9Å; A274-W277 HydrophobicContact CB-CE3 4.23Å; A274-W277 HydrophobicContact CB-CZ3 4.23Å; A274-W277 PolarHBondContact O-N 3.26Å; A274-V278 WeakPolarHBondContact O-CG2 3.35Å; A274-V278 PolarHBondContact O-N 3.08Å; A274-V278 VanDerWaalsContact O-N 3.14Å; A274-V281 HydrophobicContact CB-CG1 4.49Å; A274-V281 HydrophobicContact CB-CG2 3.82Å
275L98.7Very high98.2Very high6 Ų624.6 Ų24.63%0.03114%0.136CC..THydrogen-bonded Turntrans-66.7-12.4173.2-69.4179.8000114S271 D272 K273 W277 V281 A293 F295 R335 Y337S271-L275 PolarHBondContact O-N 2.83Å; D272-L275 WeakPolarHBondContact O-CB 3.2Å; D272-L275 PolarHBondContact O-N 2.68Å; D272-L275 VanDerWaalsContact O-N 3.1Å; K273-L275 PolarHBondContact O-N 2.75Å; L275-W277 PolarHBondContact O-N 3.13Å; L275-V281 HydrophobicContact CD2-CG2 3.86Å; L275-V281 HydrophobicContact CG-CG2 4.29Å; L275-A293 HydrophobicContact CD1-CB 3.8Å; L275-A293 HydrophobicContact CD2-CB 4.46Å; L275-A293 HydrophobicContact CG-CB 4.11Å; L275-F295 HydrophobicContact CB-CE2 4.04Å; L275-F295 HydrophobicContact CB-CZ 3.85Å; L275-F295 HydrophobicContact CD2-CD2 4.34Å; L275-F295 HydrophobicContact CD2-CE2 3.93Å; L275-F295 HydrophobicContact CD2-CZ 4.49Å; L275-F295 HydrophobicContact CG-CE2 4.45Å; L275-F295 WeakPolarHBondContact O-CZ 3.22Å; L275-R335 HydrophobicContact CD1-CB 4.38Å; L275-R335 HydrophobicContact CD1-CG 4.06Å; L275-Y337 HydrophobicContact CD1-CE1 4.25Å
276D98.4Very high97.7Very high97 Ų9722.4 Ų22.452%0.51913%0.128SC..THydrogen-bonded Turntrans-65.9-17.9168.1-68.5-15.6000112K273 A274 R335K273-D276 VanDerWaalsContact O-CB 3.29Å; K273-D276 WeakPolarHBondContact O-CB 3.22Å; K273-D276 PolarHBondContact O-N 3.02Å; K273-D276 VanDerWaalsContact O-N 3.12Å; A274-D276 PolarHBondContact O-N 2.9Å; D276-R335 IonicContact OD1-CZ 3.88Å; D276-R335 IonicContact OD1-NH1 3.88Å; D276-R335 IonicContact OD1-NH2 2.69Å; D276-R335 PolarHBondContact OD1-NH2 3.06Å
277W98.4Very high97.3Very high23 Ų2325.4 Ų25.49%0.08715%0.15CC..THydrogen-bonded Turntrans-118.9-31.4-170.3-45.2-30.3000113.2Q241 L244 K245 L261 T262 K273 A274 L275Q241-W277 HydrophobicContact CB-CD2 4.33Å; Q241-W277 HydrophobicContact CB-CH2 4.42Å; Q241-W277 HydrophobicContact CB-CZ2 4.17Å; Q241-W277 HydrophobicContact CG-CD2 4.32Å; Q241-W277 HydrophobicContact CG-CE3 4.19Å; Q241-W277 HydrophobicContact CG-CH2 3.45Å; Q241-W277 VanDerWaalsContact CG-CH2 3.45Å; Q241-W277 HydrophobicContact CG-CZ2 3.57Å; Q241-W277 HydrophobicContact CG-CZ3 3.78Å; L244-W277 HydrophobicContact CB-CB 3.85Å; L244-W277 HydrophobicContact CD1-CE3 3.69Å; L244-W277 HydrophobicContact CD1-CZ3 4.32Å; K245-W277 VanDerWaalsContact CE-NE1 3.27Å; K245-W277 HydrophobicContact CG-CB 3.71Å; K245-W277 HydrophobicContact CG-CG 3.78Å; L261-W277 HydrophobicContact CD1-CZ3 4.39Å; L261-W277 HydrophobicContact CD2-CE3 4.4Å; L261-W277 HydrophobicContact CD2-CZ3 3.81Å; L261-W277 HydrophobicContact CG-CH2 4.46Å; L261-W277 HydrophobicContact CG-CZ3 3.84Å; T262-W277 HydrophobicContact CG2-CH2 4.04Å; T262-W277 HydrophobicContact CG2-CZ3 4.08Å; K273-W277 HydrophobicContact CG-CH2 4.24Å; K273-W277 HydrophobicContact CG-CZ2 4.25Å; A274-W277 HydrophobicContact CB-CE3 4.23Å; A274-W277 HydrophobicContact CB-CZ3 4.23Å; A274-W277 PolarHBondContact O-N 3.26Å; L275-W277 PolarHBondContact O-N 3.13Å
278V98.7Very high97.1Very high4 Ų428.5 Ų28.52%0.02417%0.166CC..  trans-129.8165.2-175-55.60000112.1L244 V248 L251 A274 V281L244-V278 HydrophobicContact CB-CG1 4.02Å; L244-V278 HydrophobicContact CD2-CG1 4Å; L244-V278 HydrophobicContact CG-CG1 4.49Å; V248-V278 HydrophobicContact CB-CG1 4Å; V248-V278 HydrophobicContact CG1-CG1 3.85Å; L251-V278 HydrophobicContact CB-CG1 4.37Å; L251-V278 HydrophobicContact CB-CG2 3.91Å; A274-V278 WeakPolarHBondContact O-CG2 3.35Å; A274-V278 PolarHBondContact O-N 3.08Å; A274-V278 VanDerWaalsContact O-N 3.14Å; V278-V281 HydrophobicContact CG2-CG2 3.52Å
279D98.7Very high96.9Very high22 Ų2228.8 Ų28.812%0.11817%0.169CC..SBendtrans-82.3-28-178-62-53.1000113.6S249 F295 R326 H327S249-D279 WeakPolarHBondContact CB-OD2 3.41Å; S249-D279 WeakPolarHBondContact O-CA 3.48Å; S249-D279 VanDerWaalsContact O-CB 3.24Å; S249-D279 WeakPolarHBondContact O-CB 3.46Å; S249-D279 PolarHBondContact O-N 3.15Å; S249-D279 PolarHBondContact OG-OD2 3.28Å; D279-F295 WeakPolarHBondContact O-CD2 3.33Å; D279-F295 PolarHBondContact O-N 2.77Å; D279-R326 HydrophobicContact CB-CB 4.29Å; D279-R326 HydrophobicContact CB-CG 4.33Å; D279-R326 IonicContact OD2-NE 2.6Å; D279-R326 PolarHBondContact OD2-NE 2.88Å; D279-H327 VanDerWaalsContact OD1-CB 3.32Å; D279-H327 WeakPolarHBondContact OD1-CB 3.48Å; D279-H327 PolarHBondContact OD1-N 3.33Å
280L98.8Very high96.8Very high15 Ų1528.4 Ų28.48%0.07917%0.167CC..EExtended strand (participates in β ladder)trans-152141.2-175.7-176.167.1000110.6S249 I250 L251 M292 A293 A324 L364S249-L280 PolarHBondContact O-N 2.75Å; S249-L280 VanDerWaalsContact O-N 3.13Å; I250-L280 CarbonylContact C-O 3.49Å; I250-L280 VanDerWaalsContact CA-O 3.28Å; I250-L280 WeakPolarHBondContact CA-O 3.27Å; I250-L280 HydrophobicContact CD1-CD2 4.43Å; I250-L280 HydrophobicContact CG1-CB 4.19Å; I250-L280 HydrophobicContact CG2-CB 4.29Å; I250-L280 HydrophobicContact CG2-CD2 4.29Å; I250-L280 HydrophobicContact CG2-CG 4.42Å; L251-L280 PolarHBondContact N-O 3.23Å; L280-M292 HydrophobicContact CD1-CE 3.97Å; L280-M292 HydrophobicContact CD2-CE 4.27Å; L280-M292 HydrophobicContact CG-CE 4.38Å; L280-A293 CarbonylContact C-O 3.58Å; L280-A293 WeakPolarHBondContact CD1-O 3.28Å; L280-A324 HydrophobicContact CD1-CB 3.81Å; L280-A324 HydrophobicContact CD2-CB 4.3Å; L280-L364 HydrophobicContact CD2-CD1 3.97Å; L280-L364 HydrophobicContact CD2-CD2 4.08Å
281V98.8Very high96.8Very high0 Ų029.8 Ų29.80%017%0.173CC..EExtended strand (participates in β ladder)trans-129.2133.7-177.9-177.30000109.5L251 M253 A274 L275 V278 M292 A293L251-V281 HydrophobicContact CB-CG2 4.45Å; L251-V281 CarbonylContact O-C 3.45Å; L251-V281 WeakPolarHBondContact O-CA 3.39Å; M253-V281 HydrophobicContact CE-CG1 3.57Å; A274-V281 HydrophobicContact CB-CG1 4.49Å; A274-V281 HydrophobicContact CB-CG2 3.82Å; L275-V281 HydrophobicContact CD2-CG2 3.86Å; L275-V281 HydrophobicContact CG-CG2 4.29Å; V278-V281 HydrophobicContact CG2-CG2 3.52Å; V281-M292 VanDerWaalsContact O-CA 3.27Å; V281-M292 WeakPolarHBondContact O-CA 3.44Å; V281-A293 HydrophobicContact CB-CB 4.33Å; V281-A293 PolarHBondContact N-O 3.26Å; V281-A293 PolarHBondContact O-N 3.23Å
282L98.5Very high96.8Very high6 Ų632.6 Ų32.63%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-115.7113167.3171.164000108L251 A252 M253 L290 M292 A360 L361 L364L251-L282 PolarHBondContact O-N 3.45Å; A252-L282 WeakPolarHBondContact CA-O 3.33Å; M253-L282 PolarHBondContact N-O 3.29Å; L282-L290 HydrophobicContact CD1-CD1 4Å; L282-M292 HydrophobicContact CD1-CG 3.93Å; L282-A360 HydrophobicContact CD2-CB 4.11Å; L282-L361 HydrophobicContact CD2-CB 4.35Å; L282-L364 HydrophobicContact CB-CD2 4.33Å; L282-L364 HydrophobicContact CD2-CD2 4.46Å
283C98.1Very high96.8Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-115108.9178.1-170.80000110.1M253 S271 L290 Y291M253-C283 HydrophobicContact CE-CB 3.88Å; M253-C283 HydrophobicContact CG-CB 4.18Å; M253-C283 CarbonylContact O-C 3.5Å; M253-C283 WeakPolarHBondContact O-CA 3.26Å; S271-C283 VanDerWaalsContact OG-CB 3.22Å; S271-C283 WeakPolarHBondContact OG-CB 3.37Å; C283-L290 CarbonylContact O-C 3.55Å; C283-L290 WeakPolarHBondContact O-CA 3.46Å; C283-Y291 PolarHBondContact N-O 3.03Å; C283-Y291 PolarHBondContact O-N 2.85Å
284T96.1Very high96.8Very high28 Ų2828 Ų2817%0.17217%0.166CC..EExtended strand (participates in β ladder)trans-79.5135.4173.158.70000110.6M253 N254 E255 L290 A360M253-T284 PolarHBondContact O-N 3.49Å; M253-T284 PolarHBondContact O-OG1 2.62Å; N254-T284 CarbonylContact C-O 3.57Å; N254-T284 WeakPolarHBondContact CA-O 3.43Å; N254-T284 WeakPolarHBondContact CA-OG1 3.32Å; N254-T284 WeakPolarHBondContact CB-OG1 3.24Å; E255-T284 PolarHBondContact N-O 2.92Å; T284-L290 HydrophobicContact CG2-CB 4.33Å; T284-A360 HydrophobicContact CG2-CB 4.31Å
285A94.5Very high96.8Very high0 Ų028.5 Ų28.50%017%0.168CC..EExtended strand (participates in β ladder)trans-130.544.7-173.900000110.3E255 P267 P287 I288 G289 Y291E255-A285 HydrophobicContact CB-CB 4.38Å; P267-A285 HydrophobicContact CB-CB 4.49Å; P267-A285 HydrophobicContact CG-CB 4.17Å; A285-P287 VanDerWaalsContact O-N 3.11Å; A285-I288 HydrophobicContact CB-CB 3.91Å; A285-I288 HydrophobicContact CB-CG2 4.36Å; A285-I288 WeakPolarHBondContact O-CA 3.31Å; A285-I288 VanDerWaalsContact O-CB 3.23Å; A285-I288 WeakPolarHBondContact O-CB 3.35Å; A285-I288 PolarHBondContact O-N 2.92Å; A285-G289 CarbonylContact C-O 3.53Å; A285-G289 WeakPolarHBondContact CA-O 3.49Å; A285-G289 PolarHBondContact N-O 3.47Å; A285-G289 PolarHBondContact O-N 3.04Å; A285-Y291 HydrophobicContact CB-CD2 4.21Å; A285-Y291 HydrophobicContact CB-CE2 4.09Å
286G88.6Confident96.8Very high49 Ų4928.3 Ų28.351%0.50517%0.167SC..G310 helixtrans39.8-113.517800000114.5I288 G289G286-I288 VanDerWaalsContact C-N 3.29Å; G286-I288 PolarHBondContact O-N 3.15Å; G286-G289 PolarHBondContact O-N 3.07Å
287P89.2Confident96.8Very high114 Ų11425.1 Ų25.174%0.7415%0.149SC*.G310 helixtrans-70.2-19.4-179.430.5-35.3000114.4A285 P342A285-P287 VanDerWaalsContact O-N 3.11Å; P287-P342 WeakPolarHBondContact O-CD 3.5Å; P287-P342 VanDerWaalsContact O-CG 3.25Å; P287-P342 WeakPolarHBondContact O-CG 3.47Å
288I93.1Very high96.8Very high75 Ų7526.2 Ų26.239%0.38516%0.157SC..G310 helixtrans-73.5-24.1173.6-56.7172.6000110.1A285 G286 Y291 H339A285-I288 HydrophobicContact CB-CB 3.91Å; A285-I288 HydrophobicContact CB-CG2 4.36Å; A285-I288 WeakPolarHBondContact O-CA 3.31Å; A285-I288 VanDerWaalsContact O-CB 3.23Å; A285-I288 WeakPolarHBondContact O-CB 3.35Å; A285-I288 PolarHBondContact O-N 2.92Å; G286-I288 VanDerWaalsContact C-N 3.29Å; G286-I288 PolarHBondContact O-N 3.15Å; I288-Y291 HydrophobicContact CG2-CE2 3.92Å; I288-H339 PolarHBondContact O-CE1 3.33Å; I288-H339 PolarHBondContact O-NE2 3.38Å
289G94.9Very high96.7Very high10 Ų1034.7 Ų34.710%0.10320%0.196CC..EExtended strand (participates in β ladder)trans110.6-127.1178.300000111.4A285 G286 I340A285-G289 CarbonylContact C-O 3.53Å; A285-G289 WeakPolarHBondContact CA-O 3.49Å; A285-G289 PolarHBondContact N-O 3.47Å; A285-G289 PolarHBondContact O-N 3.04Å; G286-G289 PolarHBondContact O-N 3.07Å; G289-I340 VanDerWaalsContact CA-O 3.3Å; G289-I340 WeakPolarHBondContact CA-O 3.25Å
290L97Very high96.7Very high46 Ų4635.8 Ų35.824%0.24121%0.208CC..EExtended strand (participates in β ladder)trans-146.2153.3174.46488.1000111.7L282 C283 T284 M292 H339 I340 A360L282-L290 HydrophobicContact CD1-CD1 4Å; C283-L290 CarbonylContact O-C 3.55Å; C283-L290 WeakPolarHBondContact O-CA 3.46Å; T284-L290 HydrophobicContact CG2-CB 4.33Å; L290-M292 HydrophobicContact CD1-CG 4.34Å; L290-H339 WeakPolarHBondContact O-CA 3.43Å; L290-H339 PolarHBondContact O-CD2 3.19Å; L290-H339 VanDerWaalsContact O-CD2 3.32Å; L290-I340 HydrophobicContact CD1-CG2 3.55Å; L290-I340 HydrophobicContact CD2-CG2 4.22Å; L290-I340 HydrophobicContact CG-CG2 3.56Å; L290-I340 PolarHBondContact N-O 3.21Å; L290-I340 PolarHBondContact O-N 3.28Å; L290-A360 HydrophobicContact CD2-CB 4.45Å
291Y98.4Very high96.6Very high30 Ų3038.5 Ų38.512%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-113.4146.7174.7-65.6-95.8000109.8P267 L268 C283 A285 I288 F316 S338 H339P267-Y291 HydrophobicContact CB-CD2 3.76Å; P267-Y291 HydrophobicContact CB-CE2 3.87Å; P267-Y291 HydrophobicContact CG-CE2 4.31Å; L268-Y291 HydrophobicContact CB-CD1 4.41Å; L268-Y291 HydrophobicContact CB-CE1 4.3Å; L268-Y291 HydrophobicContact CD1-CD1 4.45Å; C283-Y291 PolarHBondContact N-O 3.03Å; C283-Y291 PolarHBondContact O-N 2.85Å; A285-Y291 HydrophobicContact CB-CD2 4.21Å; A285-Y291 HydrophobicContact CB-CE2 4.09Å; I288-Y291 HydrophobicContact CG2-CE2 3.92Å; Y291-F316 HydrophobicContact CE1-CZ 4.4Å; Y291-S338 WeakPolarHBondContact CA-O 3.43Å; Y291-H339 HydrophobicContact CD1-CB 3.81Å; Y291-H339 AromaticContact CD1-CD2 3.82Å; Y291-H339 AromaticContact CD2-CD2 3.92Å; Y291-H339 HydrophobicContact CE1-CB 3.74Å; Y291-H339 AromaticContact CE1-CD2 3.45Å; Y291-H339 VanDerWaalsContact CE1-CD2 3.45Å; Y291-H339 WeakPolarHBondContact CE1-CD2 3.46Å; Y291-H339 AromaticContact CE1-CG 3.73Å; Y291-H339 AromaticContact CE2-CD2 3.55Å; Y291-H339 AromaticContact CZ-CD2 3.29Å; Y291-H339 AromaticContact CZ-CG 3.97Å; Y291-H339 AromaticContact CZ-NE2 3.86Å
292M98.6Very high96.6Very high60 Ų6044.6 Ų44.630%0.29624%0.242SC..EExtended strand (participates in β ladder)trans-125.6137.8164.5-71.6-171.967.200109.5L280 V281 L282 L290 Y337 S338 L364L280-M292 HydrophobicContact CD1-CE 3.97Å; L280-M292 HydrophobicContact CD2-CE 4.27Å; L280-M292 HydrophobicContact CG-CE 4.38Å; V281-M292 VanDerWaalsContact O-CA 3.27Å; V281-M292 WeakPolarHBondContact O-CA 3.44Å; L282-M292 HydrophobicContact CD1-CG 3.93Å; L290-M292 HydrophobicContact CD1-CG 4.34Å; M292-Y337 CarbonylContact O-C 3.27Å; M292-Y337 VanDerWaalsContact O-CA 3.27Å; M292-Y337 WeakPolarHBondContact O-CA 3.06Å; M292-S338 PolarHBondContact N-O 2.97Å; M292-S338 PolarHBondContact O-N 3.14Å; M292-L364 HydrophobicContact CE-CD1 3.87Å; M292-L364 HydrophobicContact CE-CD2 4.46Å
293A98.7Very high96.5Very high2 Ų251 Ų512%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-131.9137.6174.300000108.5L275 L280 V281 V336 Y337L275-A293 HydrophobicContact CD1-CB 3.8Å; L275-A293 HydrophobicContact CD2-CB 4.46Å; L275-A293 HydrophobicContact CG-CB 4.11Å; L280-A293 CarbonylContact C-O 3.58Å; L280-A293 WeakPolarHBondContact CD1-O 3.28Å; V281-A293 HydrophobicContact CB-CB 4.33Å; V281-A293 PolarHBondContact N-O 3.26Å; V281-A293 PolarHBondContact O-N 3.23Å; A293-V336 WeakPolarHBondContact CA-O 3.45Å; A293-Y337 HydrophobicContact CB-CD1 3.63Å; A293-Y337 HydrophobicContact CB-CE1 4.07Å
294G98.7Very high96.4Very high2 Ų251.9 Ų51.92%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-164.7-173.2-179.600000112.5R335 V336G294-R335 WeakPolarHBondContact O-CA 3.43Å; G294-V336 PolarHBondContact N-O 3.49Å; G294-V336 PolarHBondContact O-N 2.8Å
295F98.7Very high96.5Very high9 Ų958.8 Ų58.84%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-106.1149.2174.8-61.6-79.9000112.2L275 D279 A324 M325 H327 P333 L334 R335L275-F295 HydrophobicContact CB-CE2 4.04Å; L275-F295 HydrophobicContact CB-CZ 3.85Å; L275-F295 HydrophobicContact CD2-CD2 4.34Å; L275-F295 HydrophobicContact CD2-CE2 3.93Å; L275-F295 HydrophobicContact CD2-CZ 4.49Å; L275-F295 HydrophobicContact CG-CE2 4.45Å; L275-F295 WeakPolarHBondContact O-CZ 3.22Å; D279-F295 WeakPolarHBondContact O-CD2 3.33Å; D279-F295 PolarHBondContact O-N 2.77Å; F295-A324 CarbonylContact O-C 3.57Å; F295-A324 VanDerWaalsContact O-CA 3.26Å; F295-A324 WeakPolarHBondContact O-CA 3.41Å; F295-M325 PolarHBondContact O-N 3.06Å; F295-H327 HydrophobicContact CD2-CB 4Å; F295-H327 AromaticContact CE1-CD2 3.78Å; F295-H327 HydrophobicContact CE2-CB 4.18Å; F295-H327 AromaticContact CE2-CD2 3.98Å; F295-H327 HydrophobicContact CG-CB 4.46Å; F295-H327 AromaticContact CZ-CD2 3.74Å; F295-P333 HydrophobicContact CB-CB 4.44Å; F295-P333 HydrophobicContact CD1-CB 3.91Å; F295-P333 HydrophobicContact CG-CB 4.41Å; F295-L334 CarbonylContact C-O 3.59Å; F295-L334 WeakPolarHBondContact CA-O 3.43Å; F295-R335 HydrophobicContact CD1-CG 4.01Å; F295-R335 HydrophobicContact CE1-CG 3.55Å; F295-R335 HydrophobicContact CZ-CG 4.35Å
296T98.4Very high96.5Very high3 Ų363.8 Ų63.82%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-131.6158.7164.9-173.40000108.9D298 K301 R323 L334 V336T296-D298 PolarHBondContact O-N 3.37Å; T296-K301 HydrophobicContact CG2-CB 4.31Å; T296-R323 PolarHBondContact OG1-O 2.95Å; T296-L334 HydrophobicContact CG2-CB 4.02Å; T296-L334 HydrophobicContact CG2-CD2 4.16Å; T296-L334 HydrophobicContact CG2-CG 4.38Å; T296-L334 PolarHBondContact N-O 2.91Å; T296-L334 PolarHBondContact O-N 3.34Å; T296-V336 HydrophobicContact CG2-CG1 3.48Å; T296-V336 VanDerWaalsContact CG2-CG1 3.48Å; T296-V336 HydrophobicContact CG2-CG2 4.38Å
297E98.1Very high96.9Very high30 Ų3066.5 Ų66.514%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-66.2129.7164.7-172.564.5-105.800109.8E299 A300 K301 M325 C330 Q331 N332E297-E299 VanDerWaalsContact C-N 3.26Å; E297-E299 HydrophobicContact CG-CB 4.32Å; E297-E299 PolarHBondContact O-N 3.43Å; E297-A300 HydrophobicContact CB-CB 4.1Å; E297-A300 PolarHBondContact O-N 3.46Å; E297-K301 PolarHBondContact O-N 3.49Å; E297-M325 HydrophobicContact CB-CE 4.4Å; E297-M325 HydrophobicContact CB-SD 3.88Å; E297-C330 VanDerWaalsContact OE2-CA 3.31Å; E297-C330 WeakPolarHBondContact OE2-CA 3.17Å; E297-Q331 PolarHBondContact OE2-N 2.89Å; E297-N332 WeakPolarHBondContact OE1-CA 3.23Å; E297-N332 PolarHBondContact OE1-N 2.83Å
298D97.8Very high97.3Very high45 Ų4564.9 Ų64.924%0.24132%0.322CS..G310 helixtrans-58.3-39-177.3-172.8-85.4000112T296 A300 K301 N332 L334T296-D298 PolarHBondContact O-N 3.37Å; D298-A300 PolarHBondContact O-N 3.24Å; D298-K301 WeakPolarHBondContact O-CB 3.23Å; D298-K301 WeakPolarHBondContact O-CD 3.4Å; D298-K301 WeakPolarHBondContact O-CG 3.29Å; D298-K301 PolarHBondContact O-N 3.01Å; D298-K301 IonicContact OD1-NZ 2.86Å; D298-K301 PolarHBondContact OD1-NZ 3.17Å; D298-K301 IonicContact OD2-NZ 2.67Å; D298-K301 PolarHBondContact OD2-NZ 2.84Å; D298-N332 HydrophobicContact CB-CB 4.36Å; D298-N332 WeakPolarHBondContact CB-ND2 3.48Å; D298-N332 PolarHBondContact N-O 3.37Å; D298-N332 VanDerWaalsContact N-O 3.14Å; D298-L334 HydrophobicContact CB-CB 4.26Å
299E97.7Very high97.5Very high182 Ų18263.9 Ų63.985%0.8532%0.317SS*.G310 helixtrans-63.2-30177.3-171.1-179170.300112.4E297E297-E299 VanDerWaalsContact C-N 3.26Å; E297-E299 HydrophobicContact CG-CB 4.32Å; E297-E299 PolarHBondContact O-N 3.43Å
300A97.1Very high97.6Very high46 Ų4669 Ų6938%0.3835%0.349SS..G310 helixtrans-95.64.1-17700000113.9E297 D298E297-A300 HydrophobicContact CB-CB 4.1Å; E297-A300 PolarHBondContact O-N 3.46Å; D298-A300 PolarHBondContact O-N 3.24Å
301K97.5Very high97.6Very high71 Ų7168.8 Ų68.831%0.30936%0.358SS..  trans-60.5137.8-176.272.8-163.8166.7-164.70111.9T296 E297 D298 Y319 L334T296-K301 HydrophobicContact CG2-CB 4.31Å; E297-K301 PolarHBondContact O-N 3.49Å; D298-K301 WeakPolarHBondContact O-CB 3.23Å; D298-K301 WeakPolarHBondContact O-CD 3.4Å; D298-K301 WeakPolarHBondContact O-CG 3.29Å; D298-K301 PolarHBondContact O-N 3.01Å; D298-K301 IonicContact OD1-NZ 2.86Å; D298-K301 PolarHBondContact OD1-NZ 3.17Å; D298-K301 IonicContact OD2-NZ 2.67Å; D298-K301 PolarHBondContact OD2-NZ 2.84Å; K301-Y319 HydrophobicContact CB-CD1 3.94Å; K301-Y319 HydrophobicContact CB-CE1 4.35Å; K301-Y319 HydrophobicContact CB-CG 4.4Å; K301-Y319 HydrophobicContact CD-CD1 4.01Å; K301-Y319 HydrophobicContact CD-CE1 3.58Å; K301-Y319 HydrophobicContact CD-CE2 4.46Å; K301-Y319 HydrophobicContact CG-CD1 3.87Å; K301-Y319 HydrophobicContact CG-CE1 3.78Å; K301-L334 HydrophobicContact CB-CD2 4Å; K301-L334 HydrophobicContact CD-CD2 3.58Å; K301-L334 HydrophobicContact CG-CD2 4.46Å
302R97.8Very high97.5Very high128 Ų12870.3 Ų70.348%0.48338%0.377SS..  trans-119.7121176.7-60.4-168.1-171.195.111.1109.6Y319 F321 S322R302-Y319 CarbonylContact O-C 3.53Å; R302-Y319 VanDerWaalsContact O-C 3.27Å; R302-Y319 VanDerWaalsContact O-CA 3.28Å; R302-Y319 WeakPolarHBondContact O-CA 3.27Å; R302-F321 HydrophobicContact CB-CB 3.81Å; R302-F321 PolarHBondContact O-N 2.8Å; R302-S322 PolarHBondContact N-OG 2.82Å; R302-S322 PolarHBondContact O-OG 3.14Å
303K97.1Very high97.4Very high140 Ų14069.4 Ų69.461%0.60937%0.373SS*.  trans-66144177-66.3-175.1178.3-173.20111Q318 Y319 F321K303-Q318 CarbonylContact C-O 3.59Å; K303-Q318 VanDerWaalsContact CA-O 3.24Å; K303-Q318 WeakPolarHBondContact CA-O 3.42Å; K303-Y319 HydrophobicContact CD-CE1 4.49Å; K303-Y319 HydrophobicContact CG-CD1 3.87Å; K303-Y319 HydrophobicContact CG-CE1 3.67Å; K303-F321 WeakPolarHBondContact O-CD2 3.47Å
304T97.2Very high97.4Very high19 Ų1973.4 Ų73.412%0.11741%0.406CS..  trans-65.4155.5171.9-165.90000111.1H306 L308 N317 Q318 E320T304-H306 WeakPolarHBondContact OG1-CB 3.25Å; T304-H306 PolarHBondContact OG1-N 3.25Å; T304-H306 VanDerWaalsContact OG1-N 3.11Å; T304-L308 HydrophobicContact CG2-CD2 3.74Å; T304-N317 VanDerWaalsContact CB-O 3.31Å; T304-N317 WeakPolarHBondContact CB-O 3.44Å; T304-N317 VanDerWaalsContact CG2-O 3.23Å; T304-N317 WeakPolarHBondContact CG2-O 3.3Å; T304-Q318 PolarHBondContact N-O 2.99Å; T304-E320 PolarHBondContact OG1-OE2 2.87Å; T304-E320 VanDerWaalsContact OG1-OE2 3.14Å
305Q96.5Very high97.3Very high173 Ų17377.5 Ų77.581%0.80843%0.425SS*.SBendtrans-103.8-2.8166.2-67.81755.400111.7F321Q305-F321 HydrophobicContact CB-CE2 3.81Å; Q305-F321 HydrophobicContact CB-CZ 4.1Å; Q305-F321 HydrophobicContact CG-CE2 3.73Å
306H96Very high97.3Very high105 Ų10577.8 Ų77.849%0.48643%0.426SS..SBendtrans-80.4160.4176.1-59.8-45.6000110.7T304 L308 E320 F321T304-H306 WeakPolarHBondContact OG1-CB 3.25Å; T304-H306 PolarHBondContact OG1-N 3.25Å; T304-H306 VanDerWaalsContact OG1-N 3.11Å; H306-L308 PolarHBondContact O-N 3.45Å; H306-E320 IonicContact CD2-OE2 3.51Å; H306-F321 AromaticContact CD2-CE1 3.7Å; H306-F321 AromaticContact CD2-CZ 3.98Å; H306-F321 AromaticContact NE2-CE1 3.59Å; H306-F321 AromaticContact NE2-CZ 3.69Å
307P97Very high97.2Very high107 Ų10777.7 Ų77.770%0.69543%0.425SS*.PPolyproline II helixtrans-52.7139.4168.7-25.335.5000111.1L309 N317P307-L309 PolarHBondContact O-N 2.91Å; P307-N317 PolarHBondContact O-ND2 3.41Å; P307-N317 VanDerWaalsContact O-ND2 3.14Å
308L97.6Very high97.3Very high79 Ų7979.3 Ų79.341%0.41443%0.433SS..PPolyproline II helixtrans-70.4127.2175.7-58.7-179.4000108.9T304 H306 E315 N317 Q318T304-L308 HydrophobicContact CG2-CD2 3.74Å; H306-L308 PolarHBondContact O-N 3.45Å; L308-E315 HydrophobicContact CB-CB 4.29Å; L308-E315 HydrophobicContact CB-CG 4.13Å; L308-E315 HydrophobicContact CD1-CB 4.32Å; L308-E315 HydrophobicContact CD1-CG 4Å; L308-E315 WeakPolarHBondContact CD1-OE1 3.45Å; L308-N317 WeakPolarHBondContact CA-OD1 3.43Å; L308-Q318 HydrophobicContact CD2-CB 4.36Å
309L97.1Very high97.3Very high54 Ų5479 Ų7928%0.28343%0.428SS..PPolyproline II helixtrans-88.7137.6-174.4-62.1177.6000110.6P307 E315 F316 N317 H339P307-L309 PolarHBondContact O-N 2.91Å; L309-E315 WeakPolarHBondContact O-CA 3.45Å; L309-E315 PolarHBondContact O-N 3.1Å; L309-F316 HydrophobicContact CB-CD1 4.25Å; L309-F316 HydrophobicContact CB-CE1 3.46Å; L309-F316 VanDerWaalsContact CB-CE1 3.46Å; L309-F316 HydrophobicContact CB-CZ 3.64Å; L309-F316 HydrophobicContact CD1-CE1 4.3Å; L309-F316 HydrophobicContact CD1-CE2 4.11Å; L309-F316 HydrophobicContact CD1-CZ 3.57Å; L309-F316 HydrophobicContact CG-CZ 4.25Å; L309-N317 HydrophobicContact CD1-CB 4.41Å; L309-N317 PolarHBondContact N-OD1 3.3Å; L309-H339 HydrophobicContact CD1-CB 4.3Å
310P96.6Very high97.2Very high117 Ų11772.2 Ų72.276%0.7640%0.397SS*.PPolyproline II helixtrans-75.1153.4168.933.6-34.4000110.2
311G96.3Very high97.2Very high43 Ų4373.7 Ų73.744%0.44340%0.395SS..SBendtrans178.8-178.4176.900000110.8I313G311-I313 PolarHBondContact O-N 2.96Å
312A97.2Very high97.2Very high62 Ų6271 Ų7151%0.51239%0.385SS..SBendtrans-59.2-31.9174.900000112.4D266 L269D266-A312 WeakPolarHBondContact OD2-CB 3.34Å; L269-A312 HydrophobicContact CD1-CB 3.79Å; L269-A312 HydrophobicContact CD2-CB 3.62Å; L269-A312 HydrophobicContact CG-CB 3.65Å
313I97.1Very high97.2Very high40 Ų4071.5 Ų71.521%0.20539%0.387CS..SBendtrans-97.9116.9164.9-56.4174.8000107.6L268 L269 D272 G311 E315 F316 Y337L268-I313 HydrophobicContact CD1-CD1 4.4Å; L268-I313 HydrophobicContact CD2-CB 4.15Å; L268-I313 HydrophobicContact CD2-CG1 4.41Å; L268-I313 HydrophobicContact CG-CD1 4.23Å; L268-I313 HydrophobicContact CG-CG1 4.44Å; L269-I313 HydrophobicContact CD2-CG1 4.19Å; D272-I313 HydrophobicContact CB-CD1 3.85Å; G311-I313 PolarHBondContact O-N 2.96Å; I313-E315 PolarHBondContact O-N 3.26Å; I313-F316 HydrophobicContact CB-CB 4.06Å; I313-F316 HydrophobicContact CG2-CB 4.11Å; I313-F316 PolarHBondContact O-N 2.83Å; I313-Y337 HydrophobicContact CD1-CE1 3.89Å; I313-Y337 HydrophobicContact CD1-CE2 4.21Å; I313-Y337 HydrophobicContact CG2-CE2 4.39Å
314A97.3Very high97.3Very high86 Ų8667.4 Ų67.471%0.71138%0.38SS*.THydrogen-bonded Turntrans-61.4131-178.900000111.1F316A314-F316 PolarHBondContact O-N 2.99Å
315E97.4Very high97.3Very high88 Ų8869.7 Ų69.741%0.41139%0.39SS..THydrogen-bonded Turntrans52.438.7178.7-51.4-176.2156.600113L308 L309 I313 N317 Q318L308-E315 HydrophobicContact CB-CB 4.29Å; L308-E315 HydrophobicContact CB-CG 4.13Å; L308-E315 HydrophobicContact CD1-CB 4.32Å; L308-E315 HydrophobicContact CD1-CG 4Å; L308-E315 WeakPolarHBondContact CD1-OE1 3.45Å; L309-E315 WeakPolarHBondContact O-CA 3.45Å; L309-E315 PolarHBondContact O-N 3.1Å; I313-E315 PolarHBondContact O-N 3.26Å; E315-N317 PolarHBondContact O-N 3.28Å; E315-Q318 HydrophobicContact CB-CB 4.36Å; E315-Q318 WeakPolarHBondContact O-CB 3.48Å; E315-Q318 PolarHBondContact O-N 3.32Å
316F97.8Very high97.4Very high15 Ų1563.8 Ų63.87%0.06636%0.36CS..THydrogen-bonded Turntrans-53.4-30.5-171.266.9-93.1000114.4L268 Y291 L309 I313 A314 Q318 Y337 H339L268-F316 HydrophobicContact CD1-CB 4.21Å; L268-F316 HydrophobicContact CD1-CD2 4.1Å; L268-F316 HydrophobicContact CD1-CG 4.12Å; L268-F316 HydrophobicContact CD2-CB 4.03Å; L268-F316 HydrophobicContact CD2-CD1 3.66Å; L268-F316 HydrophobicContact CD2-CD2 4.43Å; L268-F316 HydrophobicContact CD2-CE1 4.19Å; L268-F316 HydrophobicContact CD2-CG 3.79Å; Y291-F316 HydrophobicContact CE1-CZ 4.4Å; L309-F316 HydrophobicContact CB-CD1 4.25Å; L309-F316 HydrophobicContact CB-CE1 3.46Å; L309-F316 VanDerWaalsContact CB-CE1 3.46Å; L309-F316 HydrophobicContact CB-CZ 3.64Å; L309-F316 HydrophobicContact CD1-CE1 4.3Å; L309-F316 HydrophobicContact CD1-CE2 4.11Å; L309-F316 HydrophobicContact CD1-CZ 3.57Å; L309-F316 HydrophobicContact CG-CZ 4.25Å; I313-F316 HydrophobicContact CB-CB 4.06Å; I313-F316 HydrophobicContact CG2-CB 4.11Å; I313-F316 PolarHBondContact O-N 2.83Å; A314-F316 PolarHBondContact O-N 2.99Å; F316-Q318 VanDerWaalsContact C-N 3.3Å; F316-Q318 PolarHBondContact O-N 3.02Å; F316-Y337 HydrophobicContact CB-CD2 4.13Å; F316-Y337 HydrophobicContact CB-CG 4.27Å; F316-Y337 WeakPolarHBondContact O-CB 3.12Å; F316-Y337 WeakPolarHBondContact O-CD2 3.47Å; F316-H339 HydrophobicContact CE2-CB 3.67Å; F316-H339 HydrophobicContact CZ-CB 3.83Å
317N98.2Very high97.4Very high1 Ų163.1 Ų63.11%0.00536%0.357CS..THydrogen-bonded Turntrans-85.19.7177.479.2-42.3000114.3T304 P307 L308 L309 E315 Y319 E320 Y337T304-N317 VanDerWaalsContact CB-O 3.31Å; T304-N317 WeakPolarHBondContact CB-O 3.44Å; T304-N317 VanDerWaalsContact CG2-O 3.23Å; T304-N317 WeakPolarHBondContact CG2-O 3.3Å; P307-N317 PolarHBondContact O-ND2 3.41Å; P307-N317 VanDerWaalsContact O-ND2 3.14Å; L308-N317 WeakPolarHBondContact CA-OD1 3.43Å; L309-N317 HydrophobicContact CD1-CB 4.41Å; L309-N317 PolarHBondContact N-OD1 3.3Å; E315-N317 PolarHBondContact O-N 3.28Å; N317-Y319 PolarHBondContact O-N 3.18Å; N317-E320 HydrophobicContact CB-CB 4.19Å; N317-E320 PolarHBondContact ND2-OE2 2.83Å; N317-E320 WeakPolarHBondContact O-CB 3.5Å; N317-E320 PolarHBondContact O-N 2.92Å; N317-Y337 WeakPolarHBondContact CA-O 3.36Å
318Q98.2Very high97.5Very high64 Ų6463.5 Ų63.530%0.29935%0.348SS..THydrogen-bonded Turntrans-50.3-34.6-176.7-175.9178.643.200113K303 T304 L308 E315 F316K303-Q318 CarbonylContact C-O 3.59Å; K303-Q318 VanDerWaalsContact CA-O 3.24Å; K303-Q318 WeakPolarHBondContact CA-O 3.42Å; T304-Q318 PolarHBondContact N-O 2.99Å; L308-Q318 HydrophobicContact CD2-CB 4.36Å; E315-Q318 HydrophobicContact CB-CB 4.36Å; E315-Q318 WeakPolarHBondContact O-CB 3.48Å; E315-Q318 PolarHBondContact O-N 3.32Å; F316-Q318 VanDerWaalsContact C-N 3.3Å; F316-Q318 PolarHBondContact O-N 3.02Å
319Y98.2Very high97.4Very high38 Ų3863.9 Ų63.915%0.14935%0.35CS..THydrogen-bonded Turntrans-117.228.3-178.7-59.4-68.7000113.9K301 R302 K303 N317 F321 S322 L334K301-Y319 HydrophobicContact CB-CD1 3.94Å; K301-Y319 HydrophobicContact CB-CE1 4.35Å; K301-Y319 HydrophobicContact CB-CG 4.4Å; K301-Y319 HydrophobicContact CD-CD1 4.01Å; K301-Y319 HydrophobicContact CD-CE1 3.58Å; K301-Y319 HydrophobicContact CD-CE2 4.46Å; K301-Y319 HydrophobicContact CG-CD1 3.87Å; K301-Y319 HydrophobicContact CG-CE1 3.78Å; R302-Y319 CarbonylContact O-C 3.53Å; R302-Y319 VanDerWaalsContact O-C 3.27Å; R302-Y319 VanDerWaalsContact O-CA 3.28Å; R302-Y319 WeakPolarHBondContact O-CA 3.27Å; K303-Y319 HydrophobicContact CD-CE1 4.49Å; K303-Y319 HydrophobicContact CG-CD1 3.87Å; K303-Y319 HydrophobicContact CG-CE1 3.67Å; N317-Y319 PolarHBondContact O-N 3.18Å; Y319-F321 PolarHBondContact O-N 3.45Å; Y319-S322 WeakPolarHBondContact O-CB 3.47Å; Y319-S322 PolarHBondContact O-N 3.22Å; Y319-S322 PolarHBondContact O-OG 2.85Å; Y319-L334 HydrophobicContact CD2-CD2 4.03Å; Y319-L334 HydrophobicContact CE2-CD2 4.23Å; Y319-L334 HydrophobicContact CG-CD2 4.41Å
320E96.8Very high97.4Very high41 Ų4162.2 Ų62.219%0.19234%0.343CS..THydrogen-bonded Turntrans-53.7-26.6-176.5177.4167.7-145.300115.2T304 H306 N317 S322 S338T304-E320 PolarHBondContact OG1-OE2 2.87Å; T304-E320 VanDerWaalsContact OG1-OE2 3.14Å; H306-E320 IonicContact CD2-OE2 3.51Å; N317-E320 HydrophobicContact CB-CB 4.19Å; N317-E320 PolarHBondContact ND2-OE2 2.83Å; N317-E320 WeakPolarHBondContact O-CB 3.5Å; N317-E320 PolarHBondContact O-N 2.92Å; E320-S322 PolarHBondContact O-N 3.27Å; E320-S338 PolarHBondContact OE1-OG 3.07Å
321F97.2Very high97.5Very high76 Ų7665.3 Ų65.333%0.33335%0.347SS..THydrogen-bonded Turntrans-84.11.7-179.5-69.70.1000113.5R302 K303 Q305 H306 Y319R302-F321 HydrophobicContact CB-CB 3.81Å; R302-F321 PolarHBondContact O-N 2.8Å; K303-F321 WeakPolarHBondContact O-CD2 3.47Å; Q305-F321 HydrophobicContact CB-CE2 3.81Å; Q305-F321 HydrophobicContact CB-CZ 4.1Å; Q305-F321 HydrophobicContact CG-CE2 3.73Å; H306-F321 AromaticContact CD2-CE1 3.7Å; H306-F321 AromaticContact CD2-CZ 3.98Å; H306-F321 AromaticContact NE2-CE1 3.59Å; H306-F321 AromaticContact NE2-CZ 3.69Å; Y319-F321 PolarHBondContact O-N 3.45Å
322S97.8Very high97.6Very high16 Ų1667.8 Ų67.811%0.11235%0.35CS..SBendtrans-71153.5174.9-51.50000110.5R302 Y319 E320R302-S322 PolarHBondContact N-OG 2.82Å; R302-S322 PolarHBondContact O-OG 3.14Å; Y319-S322 WeakPolarHBondContact O-CB 3.47Å; Y319-S322 PolarHBondContact O-N 3.22Å; Y319-S322 PolarHBondContact O-OG 2.85Å; E320-S322 PolarHBondContact O-N 3.27Å
323R97.4Very high97.6Very high137 Ų13766.7 Ų66.752%0.51734%0.338SS..PPolyproline II helixtrans-97.6139.4176.9-68176.768.1-1620.2108.5T296 N371T296-R323 PolarHBondContact OG1-O 2.95Å; R323-N371 PolarHBondContact NH2-OD1 3.29Å
324A97.9Very high97.6Very high55 Ų5566.8 Ų66.846%0.45534%0.339SS..PPolyproline II helixtrans-61.5140.2173.700000111.4L280 F295L280-A324 HydrophobicContact CD1-CB 3.81Å; L280-A324 HydrophobicContact CD2-CB 4.3Å; F295-A324 CarbonylContact O-C 3.57Å; F295-A324 VanDerWaalsContact O-CA 3.26Å; F295-A324 WeakPolarHBondContact O-CA 3.41Å
325M97.7Very high97.7Very high67 Ų6766.3 Ų66.333%0.3332%0.319SS..BIsolated β-bridgetrans-132.8150.4171.8-71.6-177.457.200108.3F295 E297 D329F295-M325 PolarHBondContact O-N 3.06Å; E297-M325 HydrophobicContact CB-CE 4.4Å; E297-M325 HydrophobicContact CB-SD 3.88Å; M325-D329 HydrophobicContact CE-CB 4.47Å; M325-D329 WeakPolarHBondContact CE-O 3.43Å
326R97.9Very high97.8Very high48 Ų4863 Ų6318%0.18130%0.304CS..  trans-68.6140.4173.4-59.9176.971.61745.1108.6N220 S249 D279 K328 D329 C330N220-R326 PolarHBondContact O-NH1 2.77Å; N220-R326 PolarHBondContact OD1-NH1 2.78Å; S249-R326 PolarHBondContact OG-NE 3.48Å; D279-R326 HydrophobicContact CB-CB 4.29Å; D279-R326 HydrophobicContact CB-CG 4.33Å; D279-R326 IonicContact OD2-NE 2.6Å; D279-R326 PolarHBondContact OD2-NE 2.88Å; R326-K328 HydrophobicContact CB-CG 4.2Å; R326-K328 PolarHBondContact O-N 3.28Å; R326-K328 VanDerWaalsContact O-N 3.14Å; R326-D329 HydrophobicContact CB-CB 4.39Å; R326-D329 WeakPolarHBondContact O-CA 3.25Å; R326-D329 WeakPolarHBondContact O-CB 3.26Å; R326-D329 PolarHBondContact O-N 3.06Å; R326-C330 PolarHBondContact O-N 3.01Å; R326-C330 PolarHBondContact O-SG 3.3Å
327H97.9Very high97.8Very high91 Ų9163.4 Ų63.442%0.42131%0.305SS..G310 helixtrans-53.2-41.7-177.4-178.5-76.4000111.3D279 F295 D329 C330 P333D279-H327 VanDerWaalsContact OD1-CB 3.32Å; D279-H327 WeakPolarHBondContact OD1-CB 3.48Å; D279-H327 PolarHBondContact OD1-N 3.33Å; F295-H327 HydrophobicContact CD2-CB 4Å; F295-H327 AromaticContact CE1-CD2 3.78Å; F295-H327 HydrophobicContact CE2-CB 4.18Å; F295-H327 AromaticContact CE2-CD2 3.98Å; F295-H327 HydrophobicContact CG-CB 4.46Å; F295-H327 AromaticContact CZ-CD2 3.74Å; H327-D329 PolarHBondContact O-N 2.76Å; H327-C330 PolarHBondContact O-N 3.31Å; H327-P333 WeakPolarHBondContact NE2-CG 3.26Å
328K97.2Very high97.8Very high115 Ų11564.9 Ų64.950%0.532%0.315SS..G310 helixtrans-67.2-19.117871.4179.4-175.3-173.70115.4N220 R326N220-K328 WeakPolarHBondContact OD1-CE 3.44Å; N220-K328 PolarHBondContact OD1-NZ 3.38Å; R326-K328 HydrophobicContact CB-CG 4.2Å; R326-K328 PolarHBondContact O-N 3.28Å; R326-K328 VanDerWaalsContact O-N 3.14Å
329D96.9Very high97.8Very high88 Ų8863.4 Ų63.447%0.47131%0.308SS..G310 helixtrans-94.3-0179.7-62-29.2000111.5M325 R326 H327M325-D329 HydrophobicContact CE-CB 4.47Å; M325-D329 WeakPolarHBondContact CE-O 3.43Å; R326-D329 HydrophobicContact CB-CB 4.39Å; R326-D329 WeakPolarHBondContact O-CA 3.25Å; R326-D329 WeakPolarHBondContact O-CB 3.26Å; R326-D329 PolarHBondContact O-N 3.06Å; H327-D329 PolarHBondContact O-N 2.76Å
330C97.1Very high97.7Very high19 Ų1966.6 Ų66.613%0.12833%0.327CS..  trans-98.9142.1176.3-61.60000111.3E297 R326 H327 P333E297-C330 VanDerWaalsContact OE2-CA 3.31Å; E297-C330 WeakPolarHBondContact OE2-CA 3.17Å; R326-C330 PolarHBondContact O-N 3.01Å; R326-C330 PolarHBondContact O-SG 3.3Å; H327-C330 PolarHBondContact O-N 3.31Å; C330-P333 HydrophobicContact CB-CB 3.72Å; C330-P333 HydrophobicContact CB-CG 4.32Å
331Q97.8Very high97.5Very high181 Ų18169.2 Ų69.285%0.84635%0.346SS*.SBendtrans-82.6-42168.5-174.8175.1300111.5E297E297-Q331 PolarHBondContact OE2-N 2.89Å
332N97.9Very high97.1Very high95 Ų9567.1 Ų67.151%0.50834%0.34SS..SBendtrans-131.182.3173.9-173.531.2000109.5E297 D298 L334E297-N332 WeakPolarHBondContact OE1-CA 3.23Å; E297-N332 PolarHBondContact OE1-N 2.83Å; D298-N332 HydrophobicContact CB-CB 4.36Å; D298-N332 WeakPolarHBondContact CB-ND2 3.48Å; D298-N332 PolarHBondContact N-O 3.37Å; D298-N332 VanDerWaalsContact N-O 3.14Å; N332-L334 PolarHBondContact O-N 2.98Å
333P97.7Very high96.6Very high40 Ų4075.4 Ų75.426%0.2637%0.37SS..EExtended strand (participates in β ladder)trans-64.7121.8-176.124.5-31.4000111.4F295 H327 C330F295-P333 HydrophobicContact CB-CB 4.44Å; F295-P333 HydrophobicContact CD1-CB 3.91Å; F295-P333 HydrophobicContact CG-CB 4.41Å; H327-P333 WeakPolarHBondContact NE2-CG 3.26Å; C330-P333 HydrophobicContact CB-CB 3.72Å; C330-P333 HydrophobicContact CB-CG 4.32Å
334L98.3Very high95.9Very high41 Ų4176.5 Ų76.522%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-104.7128.1173.3176.567.6000109.6F295 T296 D298 K301 Y319 N332 V336F295-L334 CarbonylContact C-O 3.59Å; F295-L334 WeakPolarHBondContact CA-O 3.43Å; T296-L334 HydrophobicContact CG2-CB 4.02Å; T296-L334 HydrophobicContact CG2-CD2 4.16Å; T296-L334 HydrophobicContact CG2-CG 4.38Å; T296-L334 PolarHBondContact N-O 2.91Å; T296-L334 PolarHBondContact O-N 3.34Å; D298-L334 HydrophobicContact CB-CB 4.26Å; K301-L334 HydrophobicContact CB-CD2 4Å; K301-L334 HydrophobicContact CD-CD2 3.58Å; K301-L334 HydrophobicContact CG-CD2 4.46Å; Y319-L334 HydrophobicContact CD2-CD2 4.03Å; Y319-L334 HydrophobicContact CE2-CD2 4.23Å; Y319-L334 HydrophobicContact CG-CD2 4.41Å; N332-L334 PolarHBondContact O-N 2.98Å; L334-V336 HydrophobicContact CD2-CG1 4.39Å; L334-V336 HydrophobicContact CG-CG1 4.37Å
335R98.6Very high94.8Very high77 Ų7777.5 Ų77.529%0.29140%0.398SS..EExtended strand (participates in β ladder)trans-69.2134.8171-65.8-171.9-178.5-172.1-2.3110.7D272 L275 D276 G294 F295 Y337D272-R335 PolarHBondContact O-NH1 2.95Å; D272-R335 VanDerWaalsContact OD1-CD 3.3Å; D272-R335 WeakPolarHBondContact OD1-CD 3.3Å; D272-R335 IonicContact OD1-CZ 2.81Å; D272-R335 IonicContact OD1-NE 3.91Å; D272-R335 IonicContact OD1-NH1 3.19Å; D272-R335 PolarHBondContact OD1-NH1 2.89Å; D272-R335 IonicContact OD2-NH1 2.75Å; D272-R335 PolarHBondContact OD2-NH1 3.03Å; D272-R335 VanDerWaalsContact OD2-NH1 3.12Å; L275-R335 HydrophobicContact CD1-CB 4.38Å; L275-R335 HydrophobicContact CD1-CG 4.06Å; D276-R335 IonicContact OD1-CZ 3.88Å; D276-R335 IonicContact OD1-NH1 3.88Å; D276-R335 IonicContact OD1-NH2 2.69Å; D276-R335 PolarHBondContact OD1-NH2 3.06Å; G294-R335 WeakPolarHBondContact O-CA 3.43Å; F295-R335 HydrophobicContact CD1-CG 4.01Å; F295-R335 HydrophobicContact CE1-CG 3.55Å; F295-R335 HydrophobicContact CZ-CG 4.35Å; R335-Y337 HydrophobicContact CB-CE2 3.97Å; R335-Y337 VanDerWaalsContact CB-OH 3.28Å; R335-Y337 WeakPolarHBondContact CB-OH 3.28Å; R335-Y337 WeakPolarHBondContact CD-OH 3.31Å
336V98.5Very high93.8Very high17 Ų1775.6 Ų75.610%0.10340%0.396CS..EExtended strand (participates in β ladder)trans-135.3145.7177.6-65.10000110.2A293 G294 T296 L334A293-V336 WeakPolarHBondContact CA-O 3.45Å; G294-V336 PolarHBondContact N-O 3.49Å; G294-V336 PolarHBondContact O-N 2.8Å; T296-V336 HydrophobicContact CG2-CG1 3.48Å; T296-V336 VanDerWaalsContact CG2-CG1 3.48Å; T296-V336 HydrophobicContact CG2-CG2 4.38Å; L334-V336 HydrophobicContact CD2-CG1 4.39Å; L334-V336 HydrophobicContact CG-CG1 4.37Å
337Y98.6Very high92.8Very high25 Ų2577.9 Ų77.910%0.09842%0.417CS..EExtended strand (participates in β ladder)trans-133.6154.3-173.8-42.7-94.5000110.2L268 D272 L275 M292 A293 I313 F316 N317 R335L268-Y337 HydrophobicContact CD1-CD1 3.95Å; L268-Y337 HydrophobicContact CD1-CG 4.2Å; D272-Y337 HydrophobicContact CB-CE1 3.92Å; D272-Y337 WeakPolarHBondContact OD1-CE1 3.44Å; D272-Y337 PolarHBondContact OD1-OH 2.78Å; L275-Y337 HydrophobicContact CD1-CE1 4.25Å; M292-Y337 CarbonylContact O-C 3.27Å; M292-Y337 VanDerWaalsContact O-CA 3.27Å; M292-Y337 WeakPolarHBondContact O-CA 3.06Å; A293-Y337 HydrophobicContact CB-CD1 3.63Å; A293-Y337 HydrophobicContact CB-CE1 4.07Å; I313-Y337 HydrophobicContact CD1-CE1 3.89Å; I313-Y337 HydrophobicContact CD1-CE2 4.21Å; I313-Y337 HydrophobicContact CG2-CE2 4.39Å; F316-Y337 HydrophobicContact CB-CD2 4.13Å; F316-Y337 HydrophobicContact CB-CG 4.27Å; F316-Y337 WeakPolarHBondContact O-CB 3.12Å; F316-Y337 WeakPolarHBondContact O-CD2 3.47Å; N317-Y337 WeakPolarHBondContact CA-O 3.36Å; R335-Y337 HydrophobicContact CB-CE2 3.97Å; R335-Y337 VanDerWaalsContact CB-OH 3.28Å; R335-Y337 WeakPolarHBondContact CB-OH 3.28Å; R335-Y337 WeakPolarHBondContact CD-OH 3.31Å
338S98.3Very high91.3Very high31 Ų3183.7 Ų83.722%0.21744%0.444CS..EExtended strand (participates in β ladder)trans-147.2151.1174.9175.50000109.4Y291 M292 E320Y291-S338 WeakPolarHBondContact CA-O 3.43Å; M292-S338 PolarHBondContact N-O 2.97Å; M292-S338 PolarHBondContact O-N 3.14Å; E320-S338 PolarHBondContact OE1-OG 3.07Å
339H97.8Very high90Very high33 Ų3385.7 Ų85.715%0.15345%0.453CS..EExtended strand (participates in β ladder)trans-136.5139174.6170.4-105.5000109I288 L290 Y291 L309 F316I288-H339 PolarHBondContact O-CE1 3.33Å; I288-H339 PolarHBondContact O-NE2 3.38Å; L290-H339 WeakPolarHBondContact O-CA 3.43Å; L290-H339 PolarHBondContact O-CD2 3.19Å; L290-H339 VanDerWaalsContact O-CD2 3.32Å; Y291-H339 HydrophobicContact CD1-CB 3.81Å; Y291-H339 AromaticContact CD1-CD2 3.82Å; Y291-H339 AromaticContact CD2-CD2 3.92Å; Y291-H339 HydrophobicContact CE1-CB 3.74Å; Y291-H339 AromaticContact CE1-CD2 3.45Å; Y291-H339 VanDerWaalsContact CE1-CD2 3.45Å; Y291-H339 WeakPolarHBondContact CE1-CD2 3.46Å; Y291-H339 AromaticContact CE1-CG 3.73Å; Y291-H339 AromaticContact CE2-CD2 3.55Å; Y291-H339 AromaticContact CZ-CD2 3.29Å; Y291-H339 AromaticContact CZ-CG 3.97Å; Y291-H339 AromaticContact CZ-NE2 3.86Å; L309-H339 HydrophobicContact CD1-CB 4.3Å; F316-H339 HydrophobicContact CE2-CB 3.67Å; F316-H339 HydrophobicContact CZ-CB 3.83Å
340I95.5Very high88.6Confident105 Ų10587.7 Ų87.754%0.53846%0.462SS..EExtended strand (participates in β ladder)trans-135131.6172.6-169171.1000109.9G289 L290G289-I340 VanDerWaalsContact CA-O 3.3Å; G289-I340 WeakPolarHBondContact CA-O 3.25Å; L290-I340 HydrophobicContact CD1-CG2 3.55Å; L290-I340 HydrophobicContact CD2-CG2 4.22Å; L290-I340 HydrophobicContact CG-CG2 3.56Å; L290-I340 PolarHBondContact N-O 3.21Å; L290-I340 PolarHBondContact O-N 3.28Å
341V92.9Very high87Confident96 Ų9694.1 Ų94.158%0.58249%0.492SS*.PPolyproline II helixtrans-71.6160175.3-65.50000111.6Y343V341-Y343 PolarHBondContact O-N 2.95Å
342P90.2Very high85.6Confident33 Ų3389.2 Ų89.221%0.21447%0.472CS..PPolyproline II helixtrans-53.9139.8176.7-2736.1000113P287 M344 G345P287-P342 WeakPolarHBondContact O-CD 3.5Å; P287-P342 VanDerWaalsContact O-CG 3.25Å; P287-P342 WeakPolarHBondContact O-CG 3.47Å; P342-M344 PolarHBondContact O-N 2.83Å; P342-G345 PolarHBondContact O-N 3.16Å; P342-G345 VanDerWaalsContact O-N 3.11Å
343Y86.3Confident83.8Confident190 Ų19088 Ų8875%0.74547%0.468SS*.G310 helixtrans-58.9129.8-179.9-175.8-105.3000111V341 G345 G346V341-Y343 PolarHBondContact O-N 2.95Å; Y343-G345 PolarHBondContact O-N 3.49Å; Y343-G345 VanDerWaalsContact O-N 3.15Å; Y343-G346 PolarHBondContact O-N 3.28Å
344M83.2Confident82.2Confident160 Ų16089.2 Ų89.279%0.78847%0.473SS*.G310 helixtrans54.228.1-177.7-66.4179.1166.800114.4P342 G346P342-M344 PolarHBondContact O-N 2.83Å; M344-G346 VanDerWaalsContact C-N 3.3Å
345G74.9Confident81.2Confident75 Ų7588.5 Ų88.577%0.77348%0.475SS*.G310 helixtrans83.13.8-178.200000114.4P342 Y343P342-G345 PolarHBondContact O-N 3.16Å; P342-G345 VanDerWaalsContact O-N 3.11Å; Y343-G345 PolarHBondContact O-N 3.49Å; Y343-G345 VanDerWaalsContact O-N 3.15Å
346G76Confident80.4Confident27 Ų2787.6 Ų87.628%0.27848%0.484SS..SBendtrans90.8168.6-177.100000112.8Y343 M344Y343-G346 PolarHBondContact O-N 3.28Å; M344-G346 VanDerWaalsContact C-N 3.3Å
347P77.3Confident79.8Confident97 Ų9787.7 Ų87.763%0.6349%0.488SS*.  trans-74.2142.917931.8-34.6000111.1K349P347-K349 WeakPolarHBondContact CB-O 3.24Å; P347-K349 PolarHBondContact O-N 3.02Å
348E67.2Low79.3Confident212 Ų21287.2 Ų87.299%0.99149%0.487SS*.SBendtrans-57.8-32.5172.6-72.6-175.2168.200112.3
349K68.7Low79Confident157 Ų15786.9 Ų86.968%0.68349%0.489SS*.SBendtrans-124.5120.7176.4-172.3174.3-176.3174.20109.6P347 M351P347-K349 WeakPolarHBondContact CB-O 3.24Å; P347-K349 PolarHBondContact O-N 3.02Å; K349-M351 PolarHBondContact O-N 3.01Å
350I67Low78.9Confident130 Ų13086.4 Ų86.467%0.66749%0.491SS*.  trans-64.7102.8170.9-60.7177.4000107.5T353I350-T353 HydrophobicContact CG2-CG2 3.49Å; I350-T353 VanDerWaalsContact CG2-CG2 3.49Å
351M65Low79Confident155 Ų15581.4 Ų81.476%0.76447%0.465SS*.  trans-90-45177.5-72.3-156.9-65.200111.5R162 K349R162-M351 PolarHBondContact NH2-O 2.79Å; K349-M351 PolarHBondContact O-N 3.01Å
352N66.9Low79.2Confident78 Ų7876.9 Ų76.942%0.41744%0.438SS..  trans-150.9112.4179.1-169.3-14.4000113.1R162 N354 G355R162-N352 VanDerWaalsContact CZ-CG 3.49Å; R162-N352 PolarHBondContact NH1-OD1 2.91Å; R162-N352 VanDerWaalsContact NH2-CG 3.25Å; N352-N354 PolarHBondContact OD1-N 2.83Å; N352-G355 PolarHBondContact OD1-N 3.22Å; N352-G355 VanDerWaalsContact OD1-N 3.15Å
353T60.3Low79.5Confident70 Ų7077.7 Ų77.743%0.42945%0.447SS..SBendtrans-88.6-44.5174.6440000112.7I350 G355 A356I350-T353 HydrophobicContact CG2-CG2 3.49Å; I350-T353 VanDerWaalsContact CG2-CG2 3.49Å; T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.39Å; T353-A356 VanDerWaalsContact O-CB 3.26Å; T353-A356 WeakPolarHBondContact O-CB 3.47Å; T353-A356 PolarHBondContact O-N 3.4Å
354N64.7Low80.1Confident65 Ų6569.7 Ų69.735%0.34842%0.417SS..Hα-helixtrans-66.5-31.7-168.4-61.212000112.9F164 N352F164-N354 HydrophobicContact CE2-CB 4.36Å; F164-N354 WeakPolarHBondContact CE2-ND2 3.46Å; F164-N354 HydrophobicContact CZ-CB 3.91Å; F164-N354 WeakPolarHBondContact CZ-ND2 3.48Å; N352-N354 PolarHBondContact OD1-N 2.83Å
355G76.8Confident80.8Confident26 Ų2662.1 Ų62.127%0.26838%0.38SS..Hα-helixtrans-85.1-7.1173.700000114.9N352 T353 G359N352-G355 PolarHBondContact OD1-N 3.22Å; N352-G355 VanDerWaalsContact OD1-N 3.15Å; T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.39Å; G355-G359 PolarHBondContact O-N 3.47Å
356A81.7Confident81.9Confident58 Ų5859 Ų5948%0.47935%0.345SS..Hα-helixtrans-71.3-35.5-178.400000111.8T353 G359 A360T353-A356 VanDerWaalsContact O-CB 3.26Å; T353-A356 WeakPolarHBondContact O-CB 3.47Å; T353-A356 PolarHBondContact O-N 3.4Å; A356-G359 PolarHBondContact O-N 3.43Å; A356-A360 PolarHBondContact O-N 2.82Å
357G86Confident82.9Confident18 Ų1860.7 Ų60.719%0.18635%0.348CS..Hα-helixtrans-61.1-49.3173.800000112.3G359 A360 L361G357-G359 PolarHBondContact O-N 2.97Å; G357-A360 WeakPolarHBondContact O-CB 3.19Å; G357-A360 PolarHBondContact O-N 3.32Å; G357-A360 VanDerWaalsContact O-N 3.08Å; G357-L361 PolarHBondContact O-N 3.02Å
358D88.9Confident83.8Confident15 Ų1557.5 Ų57.58%0.0833%0.325CS..Hα-helixtrans-57.1-39.5176.3-58.7-7000111.8T94 L361 A362T94-D358 WeakPolarHBondContact CG2-OD1 3.41Å; D358-L361 PolarHBondContact O-N 3.47Å; D358-A362 WeakPolarHBondContact O-CB 3.16Å; D358-A362 PolarHBondContact O-N 2.99Å
359G91.8Very high85.2Confident25 Ų2547.4 Ų47.426%0.25828%0.278SS..Hα-helixtrans-65.9-42.417500000113.4G355 A356 G357 L361 A362 A363G355-G359 PolarHBondContact O-N 3.47Å; A356-G359 PolarHBondContact O-N 3.43Å; G357-G359 PolarHBondContact O-N 2.97Å; G359-L361 VanDerWaalsContact C-N 3.33Å; G359-A362 PolarHBondContact O-N 3.15Å; G359-A363 PolarHBondContact O-N 3.11Å; G359-A363 VanDerWaalsContact O-N 3.15Å
360A95.2Very high86.4Confident23 Ų2340.1 Ų40.119%0.1925%0.247CC..Hα-helixtrans-64.2-39.9175.100000111.4L282 T284 L290 A356 G357 A363 L364L282-A360 HydrophobicContact CD2-CB 4.11Å; T284-A360 HydrophobicContact CG2-CB 4.31Å; L290-A360 HydrophobicContact CD2-CB 4.45Å; A356-A360 PolarHBondContact O-N 2.82Å; G357-A360 WeakPolarHBondContact O-CB 3.19Å; G357-A360 PolarHBondContact O-N 3.32Å; G357-A360 VanDerWaalsContact O-N 3.08Å; A360-A363 WeakPolarHBondContact O-CB 3.28Å; A360-A363 PolarHBondContact O-N 2.76Å; A360-L364 PolarHBondContact O-N 2.84Å; A360-L364 VanDerWaalsContact O-N 3.13Å
361L97.2Very high87.7Confident0 Ų036 Ų360%023%0.227CC..Hα-helixtrans-62.9-43.817417657000111.7T98 V191 V224 T226 A252 L282 G357 D358 G359 A363 L364 L365T98-L361 HydrophobicContact CG2-CD2 3.99Å; T98-L361 HydrophobicContact CG2-CG 3.97Å; V191-L361 HydrophobicContact CG1-CD2 4.17Å; V224-L361 HydrophobicContact CG1-CD1 3.85Å; T226-L361 HydrophobicContact CG2-CD2 4.43Å; A252-L361 HydrophobicContact CB-CB 4.48Å; A252-L361 HydrophobicContact CB-CD1 4.11Å; A252-L361 HydrophobicContact CB-CD2 4.06Å; A252-L361 HydrophobicContact CB-CG 4.44Å; L282-L361 HydrophobicContact CD2-CB 4.35Å; G357-L361 PolarHBondContact O-N 3.02Å; D358-L361 PolarHBondContact O-N 3.47Å; G359-L361 VanDerWaalsContact C-N 3.33Å; L361-A363 PolarHBondContact O-N 3.05Å; L361-L364 WeakPolarHBondContact O-CB 3.31Å; L361-L364 PolarHBondContact O-N 2.66Å; L361-L364 VanDerWaalsContact O-N 3.07Å; L361-L365 HydrophobicContact CD1-CD1 4.36Å; L361-L365 HydrophobicContact CD1-CG 4.15Å; L361-L365 HydrophobicContact CG-CD1 4.1Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 WeakPolarHBondContact O-CG 3.21Å; L361-L365 PolarHBondContact O-N 2.99Å
362A97.8Very high89.1Confident0 Ų030.4 Ų30.40%020%0.202CC..Hα-helixtrans-58-36.8175.400000112.8T98 N101 L105 D358 G359 L365 H366T98-A362 HydrophobicContact CG2-CB 4.41Å; N101-A362 HydrophobicContact CB-CB 3.67Å; L105-A362 HydrophobicContact CD1-CB 4.01Å; D358-A362 WeakPolarHBondContact O-CB 3.16Å; D358-A362 PolarHBondContact O-N 2.99Å; G359-A362 PolarHBondContact O-N 3.15Å; A362-L365 PolarHBondContact O-N 3.26Å; A362-H366 PolarHBondContact O-N 2.98Å
363A97.5Very high90.2Very high51 Ų5127.1 Ų27.142%0.42118%0.184SC..Hα-helixtrans-66.9-39.1174.500000112.6L105 G359 A360 L361 H366 D367L105-A363 HydrophobicContact CD1-CB 4.4Å; G359-A363 PolarHBondContact O-N 3.11Å; G359-A363 VanDerWaalsContact O-N 3.15Å; A360-A363 WeakPolarHBondContact O-CB 3.28Å; A360-A363 PolarHBondContact O-N 2.76Å; L361-A363 PolarHBondContact O-N 3.05Å; A363-H366 WeakPolarHBondContact O-CB 3.23Å; A363-H366 PolarHBondContact O-N 2.73Å; A363-D367 PolarHBondContact O-N 2.99Å
364L97.9Very high91.6Very high22 Ų2225.4 Ų25.412%0.11517%0.171CC..Hα-helixtrans-63.6-45.8173.8175.758.3000111.5I250 L280 L282 M292 A360 L361 H366 D367 I368I250-L364 HydrophobicContact CG2-CD2 3.97Å; L280-L364 HydrophobicContact CD2-CD1 3.97Å; L280-L364 HydrophobicContact CD2-CD2 4.08Å; L282-L364 HydrophobicContact CB-CD2 4.33Å; L282-L364 HydrophobicContact CD2-CD2 4.46Å; M292-L364 HydrophobicContact CE-CD1 3.87Å; M292-L364 HydrophobicContact CE-CD2 4.46Å; A360-L364 PolarHBondContact O-N 2.84Å; A360-L364 VanDerWaalsContact O-N 3.13Å; L361-L364 WeakPolarHBondContact O-CB 3.31Å; L361-L364 PolarHBondContact O-N 2.66Å; L361-L364 VanDerWaalsContact O-N 3.07Å; L364-H366 VanDerWaalsContact C-N 3.25Å; L364-H366 PolarHBondContact O-N 3.29Å; L364-D367 PolarHBondContact O-N 3.29Å; L364-D367 VanDerWaalsContact O-N 3.15Å; L364-I368 HydrophobicContact CD1-CD1 4.03Å; L364-I368 HydrophobicContact CD1-CG1 4.33Å; L364-I368 HydrophobicContact CG-CD1 3.87Å; L364-I368 WeakPolarHBondContact O-CG1 3.45Å; L364-I368 PolarHBondContact O-N 3.28Å
365L98.3Very high92.7Very high1 Ų128.5 Ų28.51%0.00518%0.178CC..Hα-helixtrans-60.2-35.8176.9-66.6170.4000112V36 T98 M99 Y102 A189 V191 V224 L361 A362 T369V36-L365 HydrophobicContact CG1-CD1 4.45Å; V36-L365 HydrophobicContact CG1-CD2 4.37Å; T98-L365 HydrophobicContact CG2-CD1 3.52Å; M99-L365 HydrophobicContact CE-CD1 3.93Å; Y102-L365 HydrophobicContact CD2-CB 3.94Å; A189-L365 HydrophobicContact CB-CD2 4.06Å; V191-L365 HydrophobicContact CG1-CD1 4.3Å; V191-L365 HydrophobicContact CG2-CD1 3.77Å; V191-L365 HydrophobicContact CG2-CD2 3.71Å; V191-L365 HydrophobicContact CG2-CG 4.42Å; V224-L365 HydrophobicContact CG2-CD2 4.1Å; L361-L365 HydrophobicContact CD1-CD1 4.36Å; L361-L365 HydrophobicContact CD1-CG 4.15Å; L361-L365 HydrophobicContact CG-CD1 4.1Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 WeakPolarHBondContact O-CG 3.21Å; L361-L365 PolarHBondContact O-N 2.99Å; A362-L365 PolarHBondContact O-N 3.26Å; L365-T369 WeakPolarHBondContact O-CB 3.44Å; L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 PolarHBondContact O-OG1 3.22Å
366H97.8Very high93Very high8 Ų829.2 Ų29.24%0.03718%0.179CC..Hα-helixtrans-61.7-45.6174.1-174.5-170.1000111.7K2 F3 P4 Y102 A362 A363 L364 T369 A370K2-H366 PolarHBondContact O-NE2 3.38Å; F3-H366 PolarHBondContact O-CE1 2.91Å; P4-H366 VanDerWaalsContact CA-CE1 3.43Å; P4-H366 WeakPolarHBondContact CA-CE1 3.18Å; Y102-H366 HydrophobicContact CD2-CB 4.48Å; A362-H366 PolarHBondContact O-N 2.98Å; A363-H366 WeakPolarHBondContact O-CB 3.23Å; A363-H366 PolarHBondContact O-N 2.73Å; L364-H366 VanDerWaalsContact C-N 3.25Å; L364-H366 PolarHBondContact O-N 3.29Å; H366-T369 PolarHBondContact O-N 3.13Å; H366-A370 VanDerWaalsContact O-CB 3.25Å; H366-A370 WeakPolarHBondContact O-CB 3.41Å; H366-A370 PolarHBondContact O-N 3.02Å
367D97Very high92.8Very high63 Ų6326.6 Ų26.634%0.33716%0.157SC..Hα-helixtrans-68.8-38.6178.9-162.482.8000112.5P4 R7 A363 L364 T369 A370 N371P4-D367 HydrophobicContact CB-CB 4.08Å; P4-D367 HydrophobicContact CG-CB 4.4Å; P4-D367 VanDerWaalsContact CG-OD1 3.28Å; P4-D367 WeakPolarHBondContact CG-OD1 3.45Å; R7-D367 IonicContact NH2-OD1 3.7Å; A363-D367 PolarHBondContact O-N 2.99Å; L364-D367 PolarHBondContact O-N 3.29Å; L364-D367 VanDerWaalsContact O-N 3.15Å; D367-T369 PolarHBondContact O-N 3.45Å; D367-A370 WeakPolarHBondContact O-CB 3.13Å; D367-A370 PolarHBondContact O-N 3.37Å; D367-N371 PolarHBondContact O-N 3.37Å
368I96.6Very high91.9Very high31 Ų3131.5 Ų31.516%0.15917%0.17CC..Hα-helixtrans-60.3-47.8174.5-68.4164.3000110.8I250 L364 A370 N371 S372I250-I368 HydrophobicContact CD1-CD1 3.4Å; L364-I368 HydrophobicContact CD1-CD1 4.03Å; L364-I368 HydrophobicContact CD1-CG1 4.33Å; L364-I368 HydrophobicContact CG-CD1 3.87Å; L364-I368 WeakPolarHBondContact O-CG1 3.45Å; L364-I368 PolarHBondContact O-N 3.28Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.38Å; I368-N371 WeakPolarHBondContact O-CB 3.28Å; I368-N371 PolarHBondContact O-N 3.48Å; I368-S372 PolarHBondContact O-N 2.93Å
369T96.3Very high90.2Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-66.5-39.2178.9-47.40000111.1M1 A34 V36 Y102 S188 L365 H366 D367 N371 S372 Y373M1-T369 HydrophobicContact CE-CG2 4.28Å; M1-T369 HydrophobicContact SD-CG2 3.77Å; A34-T369 HydrophobicContact CB-CG2 3.68Å; V36-T369 WeakPolarHBondContact CG2-OG1 3.28Å; Y102-T369 WeakPolarHBondContact OH-CG2 3.44Å; S188-T369 PolarHBondContact OG-OG1 2.92Å; S188-T369 VanDerWaalsContact OG-OG1 3.06Å; L365-T369 WeakPolarHBondContact O-CB 3.44Å; L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 PolarHBondContact O-OG1 3.22Å; H366-T369 PolarHBondContact O-N 3.13Å; D367-T369 PolarHBondContact O-N 3.45Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 2.93Å; T369-S372 PolarHBondContact O-N 3.1Å; T369-Y373 WeakPolarHBondContact O-CB 3.41Å; T369-Y373 PolarHBondContact O-N 3.44Å
370A94.7Very high87.7Confident4 Ų437.8 Ų37.83%0.03319%0.186CC..Hα-helixtrans-55.5-39.5173.400000112.9M1 P4 F13 H366 D367 I368 H374M1-A370 HydrophobicContact CE-CB 4.09Å; P4-A370 HydrophobicContact CB-CB 4.36Å; P4-A370 HydrophobicContact CG-CB 3.6Å; F13-A370 HydrophobicContact CE2-CB 3.99Å; F13-A370 HydrophobicContact CZ-CB 3.89Å; H366-A370 VanDerWaalsContact O-CB 3.25Å; H366-A370 WeakPolarHBondContact O-CB 3.41Å; H366-A370 PolarHBondContact O-N 3.02Å; D367-A370 WeakPolarHBondContact O-CB 3.13Å; D367-A370 PolarHBondContact O-N 3.37Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.38Å; A370-H374 VanDerWaalsContact O-CB 3.23Å; A370-H374 WeakPolarHBondContact O-CB 3.5Å; A370-H374 PolarHBondContact O-N 3.36Å
371N94.2Very high85Confident43 Ų4339.1 Ų39.123%0.2319%0.191CC..Hα-helixtrans-64.8-43.4173.8173.372.9000112.4R323 D367 I368 T369 R375R323-N371 PolarHBondContact NH2-OD1 3.29Å; D367-N371 PolarHBondContact O-N 3.37Å; I368-N371 WeakPolarHBondContact O-CB 3.28Å; I368-N371 PolarHBondContact O-N 3.48Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 2.93Å; N371-R375 PolarHBondContact ND2-NH2 3.4Å; N371-R375 WeakPolarHBondContact O-CB 3.47Å; N371-R375 PolarHBondContact O-N 3.43Å
372S92.6Very high82Confident37 Ų3744.8 Ų44.826%0.25922%0.222SC..Hα-helixtrans-63.6-47.4177.3-65.90000112.1I368 T369 R375 S376I368-S372 PolarHBondContact O-N 2.93Å; T369-S372 PolarHBondContact O-N 3.1Å; S372-R375 PolarHBondContact O-N 3.35Å; S372-S376 PolarHBondContact O-N 3Å
373Y91.6Very high79.1Confident9 Ų951.2 Ų51.24%0.03525%0.253CS..Hα-helixtrans-62.4-43.3176.7175.2-98.8000113M1 F13 P14 S32 T369 R375 S376 N377M1-Y373 HydrophobicContact CE-CD1 3.73Å; M1-Y373 HydrophobicContact CE-CD2 4.25Å; M1-Y373 HydrophobicContact CE-CG 3.46Å; M1-Y373 VanDerWaalsContact CE-CG 3.46Å; F13-Y373 HydrophobicContact CE1-CD1 4.1Å; F13-Y373 HydrophobicContact CE1-CE1 4.11Å; F13-Y373 HydrophobicContact CE2-CD1 4.46Å; F13-Y373 AromaticContact CZ-CD1 3.74Å; F13-Y373 HydrophobicContact CZ-CD1 3.74Å; F13-Y373 HydrophobicContact CZ-CE1 4.21Å; P14-Y373 HydrophobicContact CG-CE1 4.15Å; P14-Y373 VanDerWaalsContact O-CE1 3.25Å; P14-Y373 WeakPolarHBondContact O-CE1 3.35Å; S32-Y373 WeakPolarHBondContact O-CD2 3.43Å; S32-Y373 VanDerWaalsContact O-CE2 3.29Å; S32-Y373 WeakPolarHBondContact O-CE2 3.4Å; T369-Y373 WeakPolarHBondContact O-CB 3.41Å; T369-Y373 PolarHBondContact O-N 3.44Å; Y373-R375 VanDerWaalsContact C-N 3.33Å; Y373-S376 PolarHBondContact O-OG 3.06Å; Y373-N377 VanDerWaalsContact CE1-ND2 3.31Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.24Å; Y373-N377 VanDerWaalsContact CE2-ND2 3.28Å; Y373-N377 WeakPolarHBondContact CE2-ND2 3.49Å; Y373-N377 WeakPolarHBondContact O-CB 3.44Å; Y373-N377 PolarHBondContact O-N 3.25Å; Y373-N377 PolarHBondContact O-ND2 3.3Å
374H88.5Confident76.2Confident34 Ų3454.9 Ų54.916%0.15727%0.265CS..Hα-helixtrans-69.7-35.3179.3-160.3-109.1000111.4Y12 F13 A370 R378Y12-H374 PolarHBondContact O-NE2 3.36Å; F13-H374 HydrophobicContact CD2-CB 4.39Å; F13-H374 AromaticContact CD2-CD2 3.45Å; F13-H374 VanDerWaalsContact CD2-CD2 3.45Å; F13-H374 WeakPolarHBondContact CD2-CD2 3.44Å; F13-H374 HydrophobicContact CE2-CB 3.96Å; F13-H374 AromaticContact CE2-CD2 3.85Å; A370-H374 VanDerWaalsContact O-CB 3.23Å; A370-H374 WeakPolarHBondContact O-CB 3.5Å; A370-H374 PolarHBondContact O-N 3.36Å; H374-R378 PolarHBondContact CE1-NE 3.28Å; H374-R378 PolarHBondContact ND1-NE 3.14Å; H374-R378 WeakPolarHBondContact O-CB 3.16Å; H374-R378 WeakPolarHBondContact O-CG 2.92Å; H374-R378 PolarHBondContact O-N 3.46Å
375R87.7Confident73.1Confident130 Ų13058.9 Ų58.949%0.49129%0.291SS..Hα-helixtrans-65.2-44.3176.9-174.9-171.7-63.9164.2-6.8112N371 S372 Y373 R378 R379N371-R375 PolarHBondContact ND2-NH2 3.4Å; N371-R375 WeakPolarHBondContact O-CB 3.47Å; N371-R375 PolarHBondContact O-N 3.43Å; S372-R375 PolarHBondContact O-N 3.35Å; Y373-R375 VanDerWaalsContact C-N 3.33Å; R375-R378 PolarHBondContact O-N 3.22Å; R375-R379 PolarHBondContact O-N 3.14Å
376S83.4Confident69.9Low41 Ų4168.7 Ų68.729%0.28735%0.35SS..Hα-helixtrans-62-48.1176.862.70000110.5S372 Y373 R378 R379 C380S372-S376 PolarHBondContact O-N 3Å; Y373-S376 PolarHBondContact O-OG 3.06Å; S376-R378 VanDerWaalsContact C-N 3.31Å; S376-R378 PolarHBondContact O-N 3.15Å; S376-R379 PolarHBondContact O-N 3.11Å; S376-C380 PolarHBondContact O-N 2.8Å; S376-C380 PolarHBondContact O-SG 3.35Å
377N78.7Confident68.5Low3 Ų371.8 Ų71.82%0.01637%0.366CS..Hα-helixtrans-64.2-29.3178.7-75.9-53.8000114.1L22 Q26 S32 Y373L22-N377 HydrophobicContact CD2-CB 3.8Å; Q26-N377 PolarHBondContact NE2-OD1 2.85Å; S32-N377 VanDerWaalsContact CB-OD1 3.24Å; S32-N377 WeakPolarHBondContact CB-OD1 3.31Å; S32-N377 PolarHBondContact OG-OD1 2.86Å; Y373-N377 VanDerWaalsContact CE1-ND2 3.31Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.24Å; Y373-N377 VanDerWaalsContact CE2-ND2 3.28Å; Y373-N377 WeakPolarHBondContact CE2-ND2 3.49Å; Y373-N377 WeakPolarHBondContact O-CB 3.44Å; Y373-N377 PolarHBondContact O-N 3.25Å; Y373-N377 PolarHBondContact O-ND2 3.3Å
378R66.9Low67Low121 Ų12172.2 Ų72.246%0.45737%0.367SS..Hα-helixtrans-77.7-33.2174.1-83.2-167.9173.3-166.13113.6H11 H374 R375 S376 C380 V381 N382H11-R378 PolarHBondContact CD2-NH2 2.94Å; H11-R378 VanDerWaalsContact CD2-NH2 3.35Å; H374-R378 PolarHBondContact CE1-NE 3.28Å; H374-R378 PolarHBondContact ND1-NE 3.14Å; H374-R378 WeakPolarHBondContact O-CB 3.16Å; H374-R378 WeakPolarHBondContact O-CG 2.92Å; H374-R378 PolarHBondContact O-N 3.46Å; R375-R378 PolarHBondContact O-N 3.22Å; S376-R378 VanDerWaalsContact C-N 3.31Å; S376-R378 PolarHBondContact O-N 3.15Å; R378-C380 PolarHBondContact O-N 3.43Å; R378-V381 WeakPolarHBondContact O-CB 3.17Å; R378-V381 PolarHBondContact O-N 2.91Å; R378-N382 PolarHBondContact O-N 3.47Å
379R53.2Low65.3Low166 Ų16674.5 Ų74.563%0.62638%0.379SS*.Hα-helixtrans-62.6-33.2178.1-81.3-176175.6-177.1-1.3111.4R375 S376 V381 N382 M383R375-R379 PolarHBondContact O-N 3.14Å; S376-R379 PolarHBondContact O-N 3.11Å; R379-V381 VanDerWaalsContact C-N 3.25Å; R379-V381 PolarHBondContact O-N 3.49Å; R379-N382 PolarHBondContact O-N 2.46Å; R379-M383 HydrophobicContact CB-CE 4.47Å; R379-M383 PolarHBondContact O-N 2.94Å; R379-M383 VanDerWaalsContact O-N 3.1Å
380C39.1Very low63.5Low6 Ų678.9 Ų78.94%0.04140%0.401CS..Hα-helixtrans-58.5-37.9171.6-47.30000111.9F25 Q26 E30 S376 R378F25-C380 WeakPolarHBondContact O-CB 3.43Å; Q26-C380 HydrophobicContact CG-CB 4.47Å; E30-C380 PolarHBondContact OE2-SG 3.34Å; S376-C380 PolarHBondContact O-N 2.8Å; S376-C380 PolarHBondContact O-SG 3.35Å; R378-C380 PolarHBondContact O-N 3.43Å
381V38.4Very low61.5Low52 Ų5283.6 Ų83.632%0.31542%0.424SS..Hα-helixtrans-72.2-39.2-179.5-174.70000112.3F25 R378 R379F25-V381 HydrophobicContact CB-CG2 3.94Å; F25-V381 HydrophobicContact CD1-CG1 4.37Å; F25-V381 HydrophobicContact CD2-CG2 4.27Å; F25-V381 HydrophobicContact CG-CG1 4.41Å; F25-V381 HydrophobicContact CG-CG2 4.11Å; R378-V381 WeakPolarHBondContact O-CB 3.17Å; R378-V381 PolarHBondContact O-N 2.91Å; R379-V381 VanDerWaalsContact C-N 3.25Å; R379-V381 PolarHBondContact O-N 3.49Å
382N33.9Very low59.4Low118 Ų11886.3 Ų86.363%0.63144%0.437SS*.Hα-helixtrans-85.7-20.1-175.8-76.11.8000114.3R378 R379 L384 T385R378-N382 PolarHBondContact O-N 3.47Å; R379-N382 PolarHBondContact O-N 2.46Å; N382-L384 PolarHBondContact O-N 2.89Å; N382-T385 PolarHBondContact O-N 2.94Å; N382-T385 PolarHBondContact O-OG1 3.09Å
383M36.8Very low57Low136 Ų13689.8 Ų89.867%0.6745%0.45SS*.THydrogen-bonded Turntrans-71.4-11.3178.8-85.5-162.4-84.900114R379R379-M383 HydrophobicContact CB-CE 4.47Å; R379-M383 PolarHBondContact O-N 2.94Å; R379-M383 VanDerWaalsContact O-N 3.1Å
384L37.4Very low54.3Low128 Ų12896 Ų9667%0.6748%0.482SS*.THydrogen-bonded Turntrans-99.14.6178.6-74.2162.4000114.1N382N382-L384 PolarHBondContact O-N 2.89Å
385T31.2Very low51.5Low106 Ų106101.2 Ų101.265%0.6551%0.509SS*.  trans-107.872.817439.50000111.1N382N382-T385 PolarHBondContact O-N 2.94Å; N382-T385 PolarHBondContact O-OG1 3.09Å
386V30.9Very low48.2Very low207 Ų20798.5 Ų98.5100%1.25551%0.511SS*.  trans-1410156-175.70000108.1

Retrieved 386 of 386 residues in 677.8 ms (Link to these results)

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