A0A077ZEF9_TRITR Loading...

N-acylglucosamine 2-epimerase

AlphaFold DB , UniProt , Accession A0A077ZEF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M75.5Confident96.1Very high228 Ų22846.5 Ų46.5100%1.12325%0.245SC*.  0128.40-163.8171.3-159.500106.5
2G93.2Very high96.4Very high21 Ų2142.8 Ų42.822%0.21623%0.226CC..  trans-94.1153.3-176.500000113.1H4 V53G2-H4 PolarHBondContact O-N 2.6Å; G2-H4 PolarHBondContact O-ND1 2.67Å; G2-V53 CarbonylContact C-O 3.47Å; G2-V53 VanDerWaalsContact CA-O 3.32Å; G2-V53 WeakPolarHBondContact CA-O 3.28Å
3T98.5Very high96.6Very high66 Ų6639.6 Ų39.641%0.40521%0.209SC..EExtended strand (participates in β ladder)trans-75.4106.1166.9-55.40000108.9T8 L41 C52 V53T3-T8 VanDerWaalsContact CG2-OG1 3.28Å; T3-T8 WeakPolarHBondContact CG2-OG1 3.4Å; T3-L41 HydrophobicContact CG2-CD1 4.2Å; T3-C52 WeakPolarHBondContact O-CA 3.31Å; T3-V53 PolarHBondContact N-O 3.28Å; T3-V53 PolarHBondContact O-N 2.87Å
4H98.7Very high96.7Very high66 Ų6637.4 Ų37.431%0.30620%0.198SC..EExtended strand (participates in β ladder)trans-88138.5179.3-66.169.1000110.9G2 W6 I7 T8 A51G2-H4 PolarHBondContact O-N 2.6Å; G2-H4 PolarHBondContact O-ND1 2.67Å; H4-W6 AromaticContact CD2-NE1 3.72Å; H4-W6 AromaticContact CG-NE1 3.84Å; H4-W6 PolarHBondContact O-N 3.13Å; H4-I7 HydrophobicContact CB-CB 4.3Å; H4-I7 HydrophobicContact CB-CD1 4.05Å; H4-I7 HydrophobicContact CB-CG1 4.08Å; H4-I7 PolarHBondContact O-N 3.27Å; H4-T8 PolarHBondContact O-N 3.35Å; H4-T8 PolarHBondContact O-OG1 3.3Å; H4-A51 WeakPolarHBondContact CA-O 3.13Å
5L98.9Very high96.9Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-57.3-46.6179.5170.265.1000112I7 T8 A9 M37 L41 W49 Y50 A51 Q67 A71L5-I7 VanDerWaalsContact C-N 3.33Å; L5-I7 PolarHBondContact O-N 3.46Å; L5-T8 PolarHBondContact O-N 3.33Å; L5-A9 VanDerWaalsContact O-CB 3.28Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.38Å; L5-M37 HydrophobicContact CD1-CE 3.78Å; L5-M37 HydrophobicContact CD1-SD 3.83Å; L5-L41 HydrophobicContact CB-CD2 4.2Å; L5-W49 HydrophobicContact CD1-CB 3.69Å; L5-W49 HydrophobicContact CD1-CD2 4.37Å; L5-W49 HydrophobicContact CD1-CG 3.82Å; L5-W49 HydrophobicContact CD2-CB 3.54Å; L5-W49 HydrophobicContact CD2-CG 4.38Å; L5-W49 HydrophobicContact CG-CB 4.2Å; L5-Y50 WeakPolarHBondContact CB-O 3.47Å; L5-A51 PolarHBondContact N-O 3.06Å; L5-Q67 HydrophobicContact CB-CB 4.24Å; L5-Q67 HydrophobicContact CD2-CB 3.67Å; L5-Q67 HydrophobicContact CG-CB 3.95Å; L5-A71 HydrophobicContact CD1-CB 4.32Å
6W98.6Very high97Very high13 Ų1337.3 Ų37.35%0.04919%0.191CC..Hα-helixtrans-61.8-38.4179.670.9-84000113.1H4 R10 Y66 Q67 F70 F194 W330 Q334H4-W6 AromaticContact CD2-NE1 3.72Å; H4-W6 AromaticContact CG-NE1 3.84Å; H4-W6 PolarHBondContact O-N 3.13Å; W6-R10 VanDerWaalsContact O-CB 3.25Å; W6-R10 WeakPolarHBondContact O-CB 3.38Å; W6-R10 WeakPolarHBondContact O-CG 3.44Å; W6-R10 PolarHBondContact O-N 3.22Å; W6-Y66 HydrophobicContact CB-CE1 4.46Å; W6-Q67 HydrophobicContact CB-CB 4.16Å; W6-Q67 HydrophobicContact CB-CG 3.9Å; W6-Q67 HydrophobicContact CG-CG 4.45Å; W6-F70 HydrophobicContact CB-CD2 4.47Å; W6-F194 HydrophobicContact CZ2-CZ 4.24Å; W6-W330 HydrophobicContact CH2-CH2 4.45Å; W6-W330 HydrophobicContact CH2-CZ3 4.25Å; W6-W330 HydrophobicContact CZ2-CZ3 4.37Å; W6-Q334 HydrophobicContact CH2-CG 3.67Å; W6-Q334 HydrophobicContact CZ2-CG 4.17Å
7I98.7Very high97.1Very high40 Ų4035.1 Ų35.121%0.20518%0.18CC..Hα-helixtrans-67.3-49.2176.3-64.2176.8000109.9H4 L5 A9 R10 M11 Q334H4-I7 HydrophobicContact CB-CB 4.3Å; H4-I7 HydrophobicContact CB-CD1 4.05Å; H4-I7 HydrophobicContact CB-CG1 4.08Å; H4-I7 PolarHBondContact O-N 3.27Å; L5-I7 VanDerWaalsContact C-N 3.33Å; L5-I7 PolarHBondContact O-N 3.46Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.29Å; I7-R10 PolarHBondContact O-N 2.93Å; I7-M11 HydrophobicContact CG2-CG 4.38Å; I7-M11 WeakPolarHBondContact O-CB 3.47Å; I7-M11 VanDerWaalsContact O-CG 3.27Å; I7-M11 WeakPolarHBondContact O-CG 3.37Å; I7-M11 PolarHBondContact O-N 3.4Å; I7-Q334 HydrophobicContact CD1-CB 4.1Å; I7-Q334 HydrophobicContact CD1-CG 4.22Å
8T98.9Very high97.2Very high20 Ų2034.4 Ų34.412%0.12318%0.18CC..Hα-helixtrans-59.9-43.9-180-62.90000111.7T3 H4 L5 M11 L12 A36 M37 L41T3-T8 VanDerWaalsContact CG2-OG1 3.28Å; T3-T8 WeakPolarHBondContact CG2-OG1 3.4Å; H4-T8 PolarHBondContact O-N 3.35Å; H4-T8 PolarHBondContact O-OG1 3.3Å; L5-T8 PolarHBondContact O-N 3.33Å; T8-M11 PolarHBondContact O-N 2.67Å; T8-L12 PolarHBondContact O-N 3.33Å; T8-A36 HydrophobicContact CG2-CB 3.83Å; T8-M37 HydrophobicContact CG2-SD 4.33Å; T8-L41 HydrophobicContact CG2-CD1 3.77Å
9A98.9Very high97.3Very high1 Ų133.7 Ų33.71%0.00818%0.18CC..Hα-helixtrans-70-39.7-179.700000112.9L5 I7 L12 H13 F70 A71L5-A9 VanDerWaalsContact O-CB 3.28Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.38Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.29Å; A9-L12 WeakPolarHBondContact O-CB 3.4Å; A9-L12 PolarHBondContact O-N 3.32Å; A9-H13 PolarHBondContact O-N 3.34Å; A9-F70 HydrophobicContact CB-CB 4.04Å; A9-F70 WeakPolarHBondContact CB-O 3.46Å; A9-A71 HydrophobicContact CB-CB 4.48Å
10R98.9Very high97.4Very high10 Ų1033.8 Ų33.84%0.03819%0.186CC..Hα-helixtrans-60.2-43.7170.9-81-178.6-177.6-156.1-3.5112W6 I7 H13 V14 Y66 F70 D335 Y337 H338W6-R10 VanDerWaalsContact O-CB 3.25Å; W6-R10 WeakPolarHBondContact O-CB 3.38Å; W6-R10 WeakPolarHBondContact O-CG 3.44Å; W6-R10 PolarHBondContact O-N 3.22Å; I7-R10 PolarHBondContact O-N 2.93Å; R10-H13 WeakPolarHBondContact O-CB 3.34Å; R10-H13 PolarHBondContact O-N 3.18Å; R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.31Å; R10-V14 PolarHBondContact O-N 3.45Å; R10-Y66 PolarHBondContact NH2-OH 3.3Å; R10-F70 HydrophobicContact CG-CD1 3.42Å; R10-F70 VanDerWaalsContact CG-CD1 3.42Å; R10-F70 HydrophobicContact CG-CE1 3.64Å; R10-F70 HydrophobicContact CG-CG 4.08Å; R10-F70 HydrophobicContact CG-CZ 4.46Å; R10-F70 VanDerWaalsContact NE-CE1 3.25Å; R10-D335 WeakPolarHBondContact CD-OD1 3.39Å; R10-D335 IonicContact CZ-OD1 3.45Å; R10-D335 IonicContact NE-OD1 3.72Å; R10-D335 IonicContact NH1-OD1 3.81Å; R10-D335 PolarHBondContact NH1-OD1 3.3Å; R10-D335 IonicContact NH1-OD2 3.1Å; R10-Y337 HydrophobicContact CB-CD2 4.36Å; R10-Y337 HydrophobicContact CB-CG 4.28Å; R10-Y337 HydrophobicContact CG-CD1 4.33Å; R10-Y337 HydrophobicContact CG-CD2 4.13Å; R10-Y337 HydrophobicContact CG-CG 3.87Å; R10-H338 PolarHBondContact NH1-CD2 3.47Å; R10-H338 VanDerWaalsContact NH1-CD2 3.3Å; R10-H338 PolarHBondContact NH1-NE2 2.79Å; R10-H338 PolarHBondContact NH2-NE2 3.43Å
11M98.9Very high97.4Very high46 Ų4634 Ų3423%0.22719%0.186CC..Hα-helixtrans-67.1-37.8177.6-67.3-62.1176.500111.9I7 T8 H13 V14 Y15 I336I7-M11 HydrophobicContact CG2-CG 4.38Å; I7-M11 WeakPolarHBondContact O-CB 3.47Å; I7-M11 VanDerWaalsContact O-CG 3.27Å; I7-M11 WeakPolarHBondContact O-CG 3.37Å; I7-M11 PolarHBondContact O-N 3.4Å; T8-M11 PolarHBondContact O-N 2.67Å; M11-H13 VanDerWaalsContact C-N 3.3Å; M11-H13 PolarHBondContact O-N 2.98Å; M11-V14 PolarHBondContact O-N 3.19Å; M11-Y15 HydrophobicContact CB-CD2 4.21Å; M11-Y15 HydrophobicContact CB-CE2 4.2Å; M11-Y15 WeakPolarHBondContact O-CD2 3.42Å; M11-Y15 PolarHBondContact O-N 3.27Å; M11-Y15 HydrophobicContact SD-CE2 4.08Å; M11-I336 HydrophobicContact CE-CD1 4.17Å; M11-I336 HydrophobicContact CE-CG1 3.82Å; M11-I336 HydrophobicContact SD-CD1 3.78Å; M11-I336 HydrophobicContact SD-CG1 3.76Å
12L98.9Very high98.5Very high2 Ų226 Ų261%0.0116%0.161CC..Hα-helixtrans-56.8-45.3171.4174.758.4000111.1T8 A9 S16 V30 I34 M37 A78 L89T8-L12 PolarHBondContact O-N 3.33Å; A9-L12 WeakPolarHBondContact O-CB 3.4Å; A9-L12 PolarHBondContact O-N 3.32Å; L12-S16 WeakPolarHBondContact O-CB 3.49Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 VanDerWaalsContact O-N 3.08Å; L12-S16 PolarHBondContact O-OG 3.14Å; L12-V30 HydrophobicContact CD1-CB 4.36Å; L12-V30 HydrophobicContact CD1-CG1 3.91Å; L12-V30 WeakPolarHBondContact CD1-O 3.45Å; L12-I34 HydrophobicContact CD1-CG1 3.97Å; L12-I34 HydrophobicContact CD2-CG1 4.34Å; L12-M37 HydrophobicContact CD2-CG 4.22Å; L12-A78 HydrophobicContact CD1-CB 3.88Å; L12-A78 HydrophobicContact CD2-CB 4.36Å; L12-A78 HydrophobicContact CG-CB 4.16Å; L12-L89 HydrophobicContact CD2-CD2 4.03Å
13H98.9Very high98.8Very high2 Ų231.8 Ų31.81%0.00918%0.177CC..Hα-helixtrans-60.3-52.6173.4167.891.2000112.3A9 R10 M11 Y15 S16 V17 S77 Y337 M354A9-H13 PolarHBondContact O-N 3.34Å; R10-H13 WeakPolarHBondContact O-CB 3.34Å; R10-H13 PolarHBondContact O-N 3.18Å; M11-H13 VanDerWaalsContact C-N 3.3Å; M11-H13 PolarHBondContact O-N 2.98Å; H13-Y15 VanDerWaalsContact C-N 3.34Å; H13-Y15 PolarHBondContact O-N 3.12Å; H13-S16 WeakPolarHBondContact O-CA 3.38Å; H13-S16 VanDerWaalsContact O-CB 3.26Å; H13-S16 WeakPolarHBondContact O-CB 3.38Å; H13-S16 PolarHBondContact O-N 3.27Å; H13-V17 PolarHBondContact O-N 2.92Å; H13-V17 VanDerWaalsContact O-N 3.12Å; H13-S77 WeakPolarHBondContact ND1-CB 3.44Å; H13-S77 PolarHBondContact ND1-OG 3.38Å; H13-Y337 AromaticContact CD2-CD2 3.45Å; H13-Y337 VanDerWaalsContact CD2-CD2 3.45Å; H13-Y337 WeakPolarHBondContact CD2-CD2 3.41Å; H13-Y337 AromaticContact CD2-CE2 3.29Å; H13-Y337 WeakPolarHBondContact CD2-CE2 3.26Å; H13-Y337 AromaticContact CG-CE2 3.87Å; H13-Y337 AromaticContact NE2-CE2 3.53Å; H13-M354 WeakPolarHBondContact NE2-CE 3.5Å
14V98.9Very high98.8Very high9 Ų935 Ų356%0.05520%0.199CC..Hα-helixtrans-58.4-46.3-176.3168.60000111.5R10 M11 S16 V17 A18 I336 Y337 L340R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.31Å; R10-V14 PolarHBondContact O-N 3.45Å; M11-V14 PolarHBondContact O-N 3.19Å; V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 PolarHBondContact O-N 2.9Å; V14-V17 WeakPolarHBondContact O-CB 3.44Å; V14-V17 PolarHBondContact O-N 3.27Å; V14-A18 PolarHBondContact O-N 3.11Å; V14-I336 HydrophobicContact CG1-CD1 3.8Å; V14-I336 HydrophobicContact CG1-CG1 4.05Å; V14-I336 HydrophobicContact CG2-CG1 4.22Å; V14-Y337 HydrophobicContact CG2-CD2 4.25Å; V14-L340 HydrophobicContact CB-CD1 4.27Å; V14-L340 HydrophobicContact CG1-CD1 4.26Å; V14-L340 HydrophobicContact CG2-CD1 3.91Å; V14-L340 HydrophobicContact CG2-CG 4.48Å
15Y98.9Very high98.8Very high72 Ų7233.9 Ų33.928%0.28221%0.205SC..Hα-helixtrans-74.5-18.8179.7-68.4-64.6000112.9M11 H13 A18 A19 A26 L29 V30M11-Y15 HydrophobicContact CB-CD2 4.21Å; M11-Y15 HydrophobicContact CB-CE2 4.2Å; M11-Y15 WeakPolarHBondContact O-CD2 3.42Å; M11-Y15 PolarHBondContact O-N 3.27Å; M11-Y15 HydrophobicContact SD-CE2 4.08Å; H13-Y15 VanDerWaalsContact C-N 3.34Å; H13-Y15 PolarHBondContact O-N 3.12Å; Y15-A18 HydrophobicContact CD1-CB 4.4Å; Y15-A19 VanDerWaalsContact O-CB 3.24Å; Y15-A19 WeakPolarHBondContact O-CB 3.45Å; Y15-A19 PolarHBondContact O-N 2.78Å; Y15-A26 HydrophobicContact CD1-CB 4.47Å; Y15-L29 HydrophobicContact CD1-CB 4.08Å; Y15-L29 HydrophobicContact CD1-CD1 3.52Å; Y15-L29 HydrophobicContact CD1-CG 4.43Å; Y15-L29 HydrophobicContact CD2-CB 3.73Å; Y15-L29 HydrophobicContact CD2-CD1 3.94Å; Y15-L29 HydrophobicContact CD2-CG 4.45Å; Y15-L29 HydrophobicContact CE1-CD1 3.29Å; Y15-L29 HydrophobicContact CE2-CB 4.31Å; Y15-L29 HydrophobicContact CE2-CD1 3.76Å; Y15-L29 HydrophobicContact CG-CB 3.61Å; Y15-L29 HydrophobicContact CG-CD1 3.84Å; Y15-L29 HydrophobicContact CG-CG 4.38Å; Y15-L29 VanDerWaalsContact CZ-CD1 3.42Å; Y15-V30 VanDerWaalsContact C-CG2 3.42Å; Y15-V30 WeakPolarHBondContact O-CG2 3.26Å
16S98.9Very high98.8Very high0 Ų034.2 Ų34.20%021%0.208CC..Hα-helixtrans-66.1-44.6167.5-57.80000111L12 H13 V14 A19 A20 A78L12-S16 WeakPolarHBondContact O-CB 3.49Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 VanDerWaalsContact O-N 3.08Å; L12-S16 PolarHBondContact O-OG 3.14Å; H13-S16 WeakPolarHBondContact O-CA 3.38Å; H13-S16 VanDerWaalsContact O-CB 3.26Å; H13-S16 WeakPolarHBondContact O-CB 3.38Å; H13-S16 PolarHBondContact O-N 3.27Å; V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 PolarHBondContact O-N 2.9Å; S16-A19 PolarHBondContact O-N 3.47Å; S16-A20 PolarHBondContact O-N 3.35Å; S16-A78 VanDerWaalsContact OG-CA 3.28Å; S16-A78 WeakPolarHBondContact OG-CA 3.5Å; S16-A78 PolarHBondContact OG-N 3.03Å
17V98.9Very high98.8Very high1 Ų138.4 Ų38.41%0.00622%0.224CC..Hα-helixtrans-61.1-48172.6178.70000110.6H13 V14 A19 A20 M21 L340 V344 M354 A355 V358H13-V17 PolarHBondContact O-N 2.92Å; H13-V17 VanDerWaalsContact O-N 3.12Å; V14-V17 WeakPolarHBondContact O-CB 3.44Å; V14-V17 PolarHBondContact O-N 3.27Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 3.19Å; V17-A20 PolarHBondContact O-N 3.34Å; V17-M21 HydrophobicContact CG1-SD 4.25Å; V17-M21 WeakPolarHBondContact O-CG 3.45Å; V17-M21 PolarHBondContact O-N 2.85Å; V17-L340 HydrophobicContact CB-CD1 4.13Å; V17-L340 HydrophobicContact CG1-CD1 4.31Å; V17-L340 HydrophobicContact CG2-CD1 4.09Å; V17-V344 HydrophobicContact CG1-CG1 4.32Å; V17-M354 HydrophobicContact CG2-CE 4.38Å; V17-M354 HydrophobicContact CG2-CG 4.34Å; V17-A355 HydrophobicContact CG2-CB 3.99Å; V17-V358 HydrophobicContact CG1-CB 4.48Å; V17-V358 HydrophobicContact CG1-CG1 4.31Å; V17-V358 HydrophobicContact CG1-CG2 4.16Å
18A98.9Very high98.8Very high22 Ų2239.8 Ų39.818%0.18224%0.238CC..Hα-helixtrans-63.4-34.8179.400000113.3V14 Y15 M21 G22 R23 A26V14-A18 PolarHBondContact O-N 3.11Å; Y15-A18 HydrophobicContact CD1-CB 4.4Å; A18-M21 WeakPolarHBondContact O-CB 3.37Å; A18-M21 PolarHBondContact O-N 2.73Å; A18-G22 PolarHBondContact O-N 2.8Å; A18-R23 PolarHBondContact O-N 3.18Å; A18-A26 HydrophobicContact CB-CB 3.69Å
19A98.8Very high98.8Very high21 Ų2142.1 Ų42.117%0.17425%0.249CC..Hα-helixtrans-65.5-44.2174.500000111.3Y15 S16 V17 M21 G22 A26 V30 T81Y15-A19 VanDerWaalsContact O-CB 3.24Å; Y15-A19 WeakPolarHBondContact O-CB 3.45Å; Y15-A19 PolarHBondContact O-N 2.78Å; S16-A19 PolarHBondContact O-N 3.47Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 3.19Å; A19-M21 PolarHBondContact O-N 2.85Å; A19-G22 WeakPolarHBondContact O-CA 3.48Å; A19-G22 PolarHBondContact O-N 3.43Å; A19-A26 HydrophobicContact CB-CB 4.05Å; A19-V30 HydrophobicContact CB-CG2 4.32Å; A19-T81 HydrophobicContact CB-CG2 4.4Å
20A98.7Very high98.8Very high36 Ų3642 Ų4230%0.29825%0.248SC..Hα-helixtrans-63.5-29.8174.300000112.7S16 V17 G22 V358 A359S16-A20 PolarHBondContact O-N 3.35Å; V17-A20 PolarHBondContact O-N 3.34Å; A20-G22 PolarHBondContact O-N 2.9Å; A20-V358 HydrophobicContact CB-CB 4.37Å; A20-V358 HydrophobicContact CB-CG1 3.74Å; A20-A359 HydrophobicContact CB-CB 4.09Å
21M98.7Very high98.8Very high38 Ų3843.7 Ų43.719%0.18726%0.258CS..THydrogen-bonded Turntrans-73.10.4169.8-65177.976.300113.8V17 A18 A19 R23 V358 L363V17-M21 HydrophobicContact CG1-SD 4.25Å; V17-M21 WeakPolarHBondContact O-CG 3.45Å; V17-M21 PolarHBondContact O-N 2.85Å; A18-M21 WeakPolarHBondContact O-CB 3.37Å; A18-M21 PolarHBondContact O-N 2.73Å; A19-M21 PolarHBondContact O-N 2.85Å; M21-R23 WeakPolarHBondContact O-CD 3.32Å; M21-R23 PolarHBondContact O-NH1 2.9Å; M21-V358 HydrophobicContact CG-CG1 3.62Å; M21-L363 HydrophobicContact CE-CD1 4.25Å; M21-L363 HydrophobicContact CG-CD1 3.96Å
22G98.5Very high98.8Very high59 Ų5947.4 Ų47.461%0.60827%0.274SS*.THydrogen-bonded Turntrans72.827.4177.400000114.6A18 A19 A20 P24A18-G22 PolarHBondContact O-N 2.8Å; A19-G22 WeakPolarHBondContact O-CA 3.48Å; A19-G22 PolarHBondContact O-N 3.43Å; A20-G22 PolarHBondContact O-N 2.9Å; G22-P24 WeakPolarHBondContact O-CD 3.49Å
23R98.7Very high98.8Very high143 Ų14347.5 Ų47.554%0.5428%0.276SS..  trans-84.7116.6177.8-86.155.8179.3175.61.1110.6A18 M21 G25 A26A18-R23 PolarHBondContact O-N 3.18Å; M21-R23 WeakPolarHBondContact O-CD 3.32Å; M21-R23 PolarHBondContact O-NH1 2.9Å; R23-G25 PolarHBondContact O-N 3.24Å; R23-A26 HydrophobicContact CB-CB 4.41Å; R23-A26 VanDerWaalsContact O-CB 3.32Å; R23-A26 WeakPolarHBondContact O-CB 3.48Å; R23-A26 PolarHBondContact O-N 3.36Å
24P98.4Very high98.8Very high135 Ų13547.6 Ų47.688%0.87728%0.276SS*.THydrogen-bonded Turntrans-54.9139.4176.2-25.835.7000111.9G22 A26G22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-A26 VanDerWaalsContact C-N 3.31Å; P24-A26 PolarHBondContact O-N 3.34Å
25G98.5Very high98.8Very high42 Ų4253.1 Ų53.143%0.43330%0.299SS..THydrogen-bonded Turntrans87.1-19.8-176.800000115.2R23 S28 L29R23-G25 PolarHBondContact O-N 3.24Å; G25-S28 WeakPolarHBondContact CA-OG 3.41Å; G25-S28 PolarHBondContact O-N 2.93Å; G25-S28 PolarHBondContact O-OG 3.16Å; G25-L29 PolarHBondContact O-N 3.05Å
26A98.8Very high98.8Very high6 Ų650.8 Ų50.85%0.0530%0.295CS..Hα-helixtrans-65.7-42.8177.500000112.2Y15 A18 A19 R23 P24 S28 L29 V30Y15-A26 HydrophobicContact CD1-CB 4.47Å; A18-A26 HydrophobicContact CB-CB 3.69Å; A19-A26 HydrophobicContact CB-CB 4.05Å; R23-A26 HydrophobicContact CB-CB 4.41Å; R23-A26 VanDerWaalsContact O-CB 3.32Å; R23-A26 WeakPolarHBondContact O-CB 3.48Å; R23-A26 PolarHBondContact O-N 3.36Å; P24-A26 VanDerWaalsContact C-N 3.31Å; P24-A26 PolarHBondContact O-N 3.34Å; A26-S28 VanDerWaalsContact C-N 3.28Å; A26-S28 PolarHBondContact O-N 2.95Å; A26-L29 WeakPolarHBondContact O-CA 3.37Å; A26-L29 WeakPolarHBondContact O-CB 3.4Å; A26-L29 PolarHBondContact O-N 2.87Å; A26-V30 PolarHBondContact O-N 3.43Å
27Y98.8Very high98.8Very high102 Ų10250.8 Ų50.840%0.430%0.295SS..Hα-helixtrans-62.5-32.5178.4-170.6-89.4000112.9L29 V30 D31 H83Y27-L29 VanDerWaalsContact C-N 3.29Å; Y27-L29 PolarHBondContact O-N 3.49Å; Y27-V30 WeakPolarHBondContact O-CB 3.33Å; Y27-V30 PolarHBondContact O-N 3.5Å; Y27-D31 PolarHBondContact O-N 3.46Å; Y27-H83 AromaticContact CE1-CD2 3.92Å; Y27-H83 HydrophobicContact CE2-CB 4.21Å; Y27-H83 AromaticContact CZ-CD2 3.66Å; Y27-H83 VanDerWaalsContact OH-CA 3.31Å; Y27-H83 WeakPolarHBondContact OH-CA 3.04Å; Y27-H83 PolarHBondContact OH-CD2 3.2Å
28S98.8Very high98.8Very high69 Ų6953.3 Ų53.348%0.48331%0.309SS..Hα-helixtrans-67.8-28.4172.442.40000113.1G25 A26 H32G25-S28 WeakPolarHBondContact CA-OG 3.41Å; G25-S28 PolarHBondContact O-N 2.93Å; G25-S28 PolarHBondContact O-OG 3.16Å; A26-S28 VanDerWaalsContact C-N 3.28Å; A26-S28 PolarHBondContact O-N 2.95Å; S28-H32 WeakPolarHBondContact O-CB 3.43Å; S28-H32 PolarHBondContact O-N 3.1Å
29L98.9Very high98.8Very high68 Ų6853.4 Ų53.436%0.35631%0.312SS..Hα-helixtrans-77.9-29.8174.1-62.8175.4000111.9Y15 G25 A26 Y27 H32 G33Y15-L29 HydrophobicContact CD1-CB 4.08Å; Y15-L29 HydrophobicContact CD1-CD1 3.52Å; Y15-L29 HydrophobicContact CD1-CG 4.43Å; Y15-L29 HydrophobicContact CD2-CB 3.73Å; Y15-L29 HydrophobicContact CD2-CD1 3.94Å; Y15-L29 HydrophobicContact CD2-CG 4.45Å; Y15-L29 HydrophobicContact CE1-CD1 3.29Å; Y15-L29 HydrophobicContact CE2-CB 4.31Å; Y15-L29 HydrophobicContact CE2-CD1 3.76Å; Y15-L29 HydrophobicContact CG-CB 3.61Å; Y15-L29 HydrophobicContact CG-CD1 3.84Å; Y15-L29 HydrophobicContact CG-CG 4.38Å; Y15-L29 VanDerWaalsContact CZ-CD1 3.42Å; G25-L29 PolarHBondContact O-N 3.05Å; A26-L29 WeakPolarHBondContact O-CA 3.37Å; A26-L29 WeakPolarHBondContact O-CB 3.4Å; A26-L29 PolarHBondContact O-N 2.87Å; Y27-L29 VanDerWaalsContact C-N 3.29Å; Y27-L29 PolarHBondContact O-N 3.49Å; L29-H32 PolarHBondContact O-N 3.22Å; L29-G33 PolarHBondContact O-N 3.39Å
30V98.9Very high98.8Very high0 Ų055.8 Ų55.80%033%0.332CS..Hα-helixtrans-61.3-50.4166.9175.80000110.4L12 Y15 A19 A26 Y27 H32 G33 I34 A78 T81 H83L12-V30 HydrophobicContact CD1-CB 4.36Å; L12-V30 HydrophobicContact CD1-CG1 3.91Å; L12-V30 WeakPolarHBondContact CD1-O 3.45Å; Y15-V30 VanDerWaalsContact C-CG2 3.42Å; Y15-V30 WeakPolarHBondContact O-CG2 3.26Å; A19-V30 HydrophobicContact CB-CG2 4.32Å; A26-V30 PolarHBondContact O-N 3.43Å; Y27-V30 WeakPolarHBondContact O-CB 3.33Å; Y27-V30 PolarHBondContact O-N 3.5Å; V30-H32 VanDerWaalsContact C-N 3.34Å; V30-H32 PolarHBondContact O-N 2.99Å; V30-G33 PolarHBondContact O-N 3.03Å; V30-G33 VanDerWaalsContact O-N 3.16Å; V30-I34 HydrophobicContact CG1-CD1 4Å; V30-I34 WeakPolarHBondContact O-CG1 3.47Å; V30-I34 PolarHBondContact O-N 2.97Å; V30-A78 HydrophobicContact CG1-CB 4.2Å; V30-T81 HydrophobicContact CG1-CG2 4.33Å; V30-T81 HydrophobicContact CG2-CG2 4.31Å; V30-H83 HydrophobicContact CG1-CB 4.49Å
31D98.9Very high98.8Very high44 Ų4454.2 Ų54.224%0.23532%0.318CS..Hα-helixtrans-58.1-44.6175.5170.870.2000111.8Y27 G33 I34 K35 H83Y27-D31 PolarHBondContact O-N 3.46Å; D31-G33 PolarHBondContact O-N 2.99Å; D31-I34 PolarHBondContact O-N 3.16Å; D31-K35 WeakPolarHBondContact O-CB 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å; D31-K35 PolarHBondContact O-N 3.23Å; D31-K35 IonicContact OD1-NZ 2.67Å; D31-K35 PolarHBondContact OD1-NZ 3.21Å; D31-K35 IonicContact OD2-NZ 2.6Å; D31-K35 PolarHBondContact OD2-NZ 3.32Å; D31-H83 IonicContact OD1-CE1 3.73Å; D31-H83 IonicContact OD1-NE2 3.66Å; D31-H83 PolarHBondContact OD1-NE2 3.33Å
32H98.9Very high98.8Very high124 Ų12454.5 Ų54.557%0.57432%0.317SS*.Hα-helixtrans-59.2-44.5174.3-179.3-94.3000112.2S28 L29 V30 K35 A36S28-H32 WeakPolarHBondContact O-CB 3.43Å; S28-H32 PolarHBondContact O-N 3.1Å; L29-H32 PolarHBondContact O-N 3.22Å; V30-H32 VanDerWaalsContact C-N 3.34Å; V30-H32 PolarHBondContact O-N 2.99Å; H32-K35 PolarHBondContact O-N 3.44Å; H32-A36 WeakPolarHBondContact O-CB 3.34Å; H32-A36 PolarHBondContact O-N 3.43Å
33G98.9Very high98.8Very high4 Ų451.7 Ų51.74%0.04129%0.288CS..Hα-helixtrans-61.6-46.6176.400000112.3L29 V30 D31 K35 A36 M37L29-G33 PolarHBondContact O-N 3.39Å; V30-G33 PolarHBondContact O-N 3.03Å; V30-G33 VanDerWaalsContact O-N 3.16Å; D31-G33 PolarHBondContact O-N 2.99Å; G33-K35 VanDerWaalsContact C-N 3.33Å; G33-K35 PolarHBondContact O-N 3.18Å; G33-A36 WeakPolarHBondContact O-CB 3.14Å; G33-A36 PolarHBondContact O-N 3.21Å; G33-M37 VanDerWaalsContact O-CG 3.26Å; G33-M37 WeakPolarHBondContact O-CG 3.23Å; G33-M37 PolarHBondContact O-N 3.36Å
34I98.9Very high98.8Very high4 Ų453.1 Ų53.12%0.02130%0.298CS..Hα-helixtrans-61.8-42.2176.3-66.9168.3000110.8L12 V30 D31 M37 N38 A78 H83 E85 A86 L89L12-I34 HydrophobicContact CD1-CG1 3.97Å; L12-I34 HydrophobicContact CD2-CG1 4.34Å; V30-I34 HydrophobicContact CG1-CD1 4Å; V30-I34 WeakPolarHBondContact O-CG1 3.47Å; V30-I34 PolarHBondContact O-N 2.97Å; D31-I34 PolarHBondContact O-N 3.16Å; I34-M37 PolarHBondContact O-N 2.9Å; I34-N38 PolarHBondContact O-N 3.41Å; I34-N38 VanDerWaalsContact O-N 3.12Å; I34-N38 PolarHBondContact O-ND2 2.88Å; I34-A78 HydrophobicContact CD1-CB 4.22Å; I34-A78 HydrophobicContact CG1-CB 4.45Å; I34-H83 HydrophobicContact CD1-CB 3.94Å; I34-H83 VanDerWaalsContact CD1-CG 3.47Å; I34-H83 VanDerWaalsContact CD1-ND1 3.28Å; I34-H83 WeakPolarHBondContact CD1-ND1 3.39Å; I34-E85 HydrophobicContact CG2-CB 3.9Å; I34-A86 HydrophobicContact CD1-CB 3.92Å; I34-L89 HydrophobicContact CB-CD2 4.47Å; I34-L89 HydrophobicContact CG1-CD2 4.09Å; I34-L89 HydrophobicContact CG2-CD2 4.36Å
35K98.9Very high98.8Very high125 Ų12553.9 Ų53.954%0.54329%0.288SS..Hα-helixtrans-61.3-43.6174.2-77-179.4168.4920111.8D31 H32 G33 M37 N38 G39D31-K35 WeakPolarHBondContact O-CB 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å; D31-K35 PolarHBondContact O-N 3.23Å; D31-K35 IonicContact OD1-NZ 2.67Å; D31-K35 PolarHBondContact OD1-NZ 3.21Å; D31-K35 IonicContact OD2-NZ 2.6Å; D31-K35 PolarHBondContact OD2-NZ 3.32Å; H32-K35 PolarHBondContact O-N 3.44Å; G33-K35 VanDerWaalsContact C-N 3.33Å; G33-K35 PolarHBondContact O-N 3.18Å; K35-M37 PolarHBondContact O-N 3.36Å; K35-N38 CarbonylContact O-C 3.57Å; K35-N38 PolarHBondContact O-N 2.7Å; K35-N38 VanDerWaalsContact O-N 3.11Å; K35-G39 PolarHBondContact O-N 3.07Å
36A98.9Very high98.8Very high23 Ų2355.7 Ų55.719%0.1928%0.282CS..Hα-helixtrans-61.5-42.3176.600000112T8 H32 G33 N38 G39T8-A36 HydrophobicContact CG2-CB 3.83Å; H32-A36 WeakPolarHBondContact O-CB 3.34Å; H32-A36 PolarHBondContact O-N 3.43Å; G33-A36 WeakPolarHBondContact O-CB 3.14Å; G33-A36 PolarHBondContact O-N 3.21Å; A36-N38 PolarHBondContact O-N 2.89Å; A36-G39 PolarHBondContact O-N 2.76Å
37M98.9Very high98.8Very high1 Ų156 Ų561%0.00529%0.286CS..Hα-helixtrans-67.1-17.5175.4-65.6-58-73.100113.9L5 T8 L12 G33 I34 K35 R42 W49 A71 L89L5-M37 HydrophobicContact CD1-CE 3.78Å; L5-M37 HydrophobicContact CD1-SD 3.83Å; T8-M37 HydrophobicContact CG2-SD 4.33Å; L12-M37 HydrophobicContact CD2-CG 4.22Å; G33-M37 VanDerWaalsContact O-CG 3.26Å; G33-M37 WeakPolarHBondContact O-CG 3.23Å; G33-M37 PolarHBondContact O-N 3.36Å; I34-M37 PolarHBondContact O-N 2.9Å; K35-M37 PolarHBondContact O-N 3.36Å; M37-R42 PolarHBondContact O-NE 3.07Å; M37-R42 PolarHBondContact O-NH2 3.26Å; M37-W49 HydrophobicContact CE-CD2 3.9Å; M37-W49 VanDerWaalsContact CE-CE2 3.45Å; M37-W49 HydrophobicContact CE-CG 4.25Å; M37-W49 HydrophobicContact CE-CH2 4.49Å; M37-W49 HydrophobicContact CE-CZ2 3.79Å; M37-W49 PolarHBondContact O-NE1 2.71Å; M37-A71 HydrophobicContact CE-CB 3.43Å; M37-A71 VanDerWaalsContact CE-CB 3.43Å; M37-L89 HydrophobicContact CB-CD1 3.81Å; M37-L89 HydrophobicContact CB-CD2 3.89Å; M37-L89 HydrophobicContact CG-CD2 4.18Å
38N98.8Very high98.8Very high53 Ų5351.1 Ų51.128%0.28327%0.267SS..THydrogen-bonded Turntrans-102.2-1.8170.9-70.9-77.1000112.7I34 K35 A36 R42I34-N38 PolarHBondContact O-N 3.41Å; I34-N38 VanDerWaalsContact O-N 3.12Å; I34-N38 PolarHBondContact O-ND2 2.88Å; K35-N38 CarbonylContact O-C 3.57Å; K35-N38 PolarHBondContact O-N 2.7Å; K35-N38 VanDerWaalsContact O-N 3.11Å; A36-N38 PolarHBondContact O-N 2.89Å; N38-R42 PolarHBondContact OD1-NH1 2.86Å; N38-R42 PolarHBondContact OD1-NH2 3.1Å
39G98.6Very high98.8Very high25 Ų2547.9 Ų47.926%0.25824%0.244SC..THydrogen-bonded Turntrans-100.3-135.5-171.400000113.1K35 A36 L41 R42K35-G39 PolarHBondContact O-N 3.07Å; A36-G39 PolarHBondContact O-N 2.76Å; G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 2.98Å; G39-R42 PolarHBondContact O-N 2.86Å; G39-R42 VanDerWaalsContact O-N 3.14Å
40A98.5Very high98.8Very high71 Ų7146 Ų4659%0.58723%0.233SC*.THydrogen-bonded Turntrans-63.1-30.1-174.600000113.9R42 V53A40-R42 VanDerWaalsContact C-N 3.26Å; A40-R42 PolarHBondContact O-N 3.39Å; A40-V53 HydrophobicContact CB-CG2 4.26Å
41L98.9Very high98.8Very high3 Ų346.1 Ų46.12%0.01623%0.233CC..THydrogen-bonded Turntrans-65.9-28176.1-79.1166.4000112.6T3 L5 T8 G39 D43 W49 Y50 V53T3-L41 HydrophobicContact CG2-CD1 4.2Å; L5-L41 HydrophobicContact CB-CD2 4.2Å; T8-L41 HydrophobicContact CG2-CD1 3.77Å; G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 2.98Å; L41-D43 PolarHBondContact O-N 2.71Å; L41-W49 CarbonylContact O-C 3.54Å; L41-W49 WeakPolarHBondContact O-CA 3.5Å; L41-W49 WeakPolarHBondContact O-CB 3.37Å; L41-Y50 PolarHBondContact O-N 3.48Å; L41-V53 HydrophobicContact CD2-CG1 4.22Å; L41-V53 HydrophobicContact CD2-CG2 3.72Å; L41-V53 HydrophobicContact CG-CG2 3.87Å
42R98.9Very high98.8Very high43 Ų4344.3 Ų44.316%0.16222%0.224CC..BIsolated β-bridgetrans-78.1125.5-176.8-177.4173.4-72.5175.50.7110.2M37 N38 G39 A40 K44M37-R42 PolarHBondContact O-NE 3.07Å; M37-R42 PolarHBondContact O-NH2 3.26Å; N38-R42 PolarHBondContact OD1-NH1 2.86Å; N38-R42 PolarHBondContact OD1-NH2 3.1Å; G39-R42 PolarHBondContact O-N 2.86Å; G39-R42 VanDerWaalsContact O-N 3.14Å; A40-R42 VanDerWaalsContact C-N 3.26Å; A40-R42 PolarHBondContact O-N 3.39Å; R42-K44 PolarHBondContact O-N 2.87Å
43D98.8Very high98.8Very high0 Ų038.7 Ų38.70%020%0.198CC..  trans-78.2104.4168.6-179.3-13.9000109.3L41 K45 Y46 G47 G48 Y50 K63L41-D43 PolarHBondContact O-N 2.71Å; D43-K45 PolarHBondContact O-N 3.09Å; D43-K45 WeakPolarHBondContact OD1-CA 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.94Å; D43-Y46 PolarHBondContact OD1-N 2.84Å; D43-Y46 WeakPolarHBondContact OD2-CB 3.47Å; D43-Y46 WeakPolarHBondContact OD2-CD2 3.28Å; D43-G47 WeakPolarHBondContact CB-O 3.44Å; D43-G47 VanDerWaalsContact O-CA 3.23Å; D43-G47 WeakPolarHBondContact O-CA 3.34Å; D43-G47 PolarHBondContact O-N 3.46Å; D43-G48 PolarHBondContact N-O 3.02Å; D43-Y50 HydrophobicContact CB-CD1 4.14Å; D43-Y50 HydrophobicContact CB-CE1 3.59Å; D43-Y50 HydrophobicContact CB-CE2 3.99Å; D43-Y50 PolarHBondContact OD1-OH 3.39Å; D43-K63 WeakPolarHBondContact OD2-CE 3.49Å; D43-K63 IonicContact OD2-NZ 3.74Å; D43-K63 PolarHBondContact OD2-NZ 3.3Å
44K98.4Very high98.7Very high173 Ų17340.8 Ų40.875%0.75221%0.208SC*.THydrogen-bonded Turntrans-77.4-9-179.2-61.2-179.4-177.1178.60113.3R42R42-K44 PolarHBondContact O-N 2.87Å
45K98.6Very high98.7Very high152 Ų15248.5 Ų48.566%0.66125%0.25SC*.THydrogen-bonded Turntrans-97.6-50.4-177.4-175.9-179.9177.6-163.10111.6D43D43-K45 PolarHBondContact O-N 3.09Å; D43-K45 WeakPolarHBondContact OD1-CA 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.94Å
46Y98.6Very high98.6Very high80 Ų8050.2 Ų50.231%0.31426%0.26SS..THydrogen-bonded Turntrans-107.4-9.9-176.4-56-75.7000113.8D43 E115 A116 F117D43-Y46 PolarHBondContact OD1-N 2.84Å; D43-Y46 WeakPolarHBondContact OD2-CB 3.47Å; D43-Y46 WeakPolarHBondContact OD2-CD2 3.28Å; Y46-E115 HydrophobicContact CD2-CG 4.08Å; Y46-E115 HydrophobicContact CE2-CG 4.31Å; Y46-A116 HydrophobicContact CD1-CB 3.93Å; Y46-A116 HydrophobicContact CD2-CB 4.42Å; Y46-A116 HydrophobicContact CE1-CB 3.67Å; Y46-A116 HydrophobicContact CE2-CB 4.2Å; Y46-A116 HydrophobicContact CG-CB 4.29Å; Y46-F117 WeakPolarHBondContact O-CE2 3.42Å
47G98.7Very high98.6Very high12 Ų1250.8 Ų50.812%0.12427%0.267CS..SBendtrans88.7174.2-176.700000113.2D43 K63 Y92 F117D43-G47 WeakPolarHBondContact CB-O 3.44Å; D43-G47 VanDerWaalsContact O-CA 3.23Å; D43-G47 WeakPolarHBondContact O-CA 3.34Å; D43-G47 PolarHBondContact O-N 3.46Å; G47-K63 PolarHBondContact O-NZ 3.33Å; G47-Y92 WeakPolarHBondContact CA-OH 3.32Å; G47-F117 VanDerWaalsContact O-CE2 3.26Å; G47-F117 WeakPolarHBondContact O-CE2 3.36Å
48G98.8Very high98.5Very high0 Ų054 Ų540%029%0.287CS..SBendtrans65.6-151.4-173.700000112.8D43 Y92 I96D43-G48 PolarHBondContact N-O 3.02Å; G48-Y92 PolarHBondContact N-OH 3.1Å; G48-Y92 VanDerWaalsContact N-OH 3.1Å; G48-I96 VanDerWaalsContact N-CD1 3.27Å
49W98.9Very high98.5Very high0 Ų055.7 Ų55.70%030%0.299CS..BIsolated β-bridgetrans-135145.6-177.3-61.5-92.3000111.9L5 M37 L41 K63 H68 A71 L89 Y92 T93 I96L5-W49 HydrophobicContact CD1-CB 3.69Å; L5-W49 HydrophobicContact CD1-CD2 4.37Å; L5-W49 HydrophobicContact CD1-CG 3.82Å; L5-W49 HydrophobicContact CD2-CB 3.54Å; L5-W49 HydrophobicContact CD2-CG 4.38Å; L5-W49 HydrophobicContact CG-CB 4.2Å; M37-W49 HydrophobicContact CE-CD2 3.9Å; M37-W49 VanDerWaalsContact CE-CE2 3.45Å; M37-W49 HydrophobicContact CE-CG 4.25Å; M37-W49 HydrophobicContact CE-CH2 4.49Å; M37-W49 HydrophobicContact CE-CZ2 3.79Å; M37-W49 PolarHBondContact O-NE1 2.71Å; L41-W49 CarbonylContact O-C 3.54Å; L41-W49 WeakPolarHBondContact O-CA 3.5Å; L41-W49 WeakPolarHBondContact O-CB 3.37Å; W49-K63 WeakPolarHBondContact O-CD 3.26Å; W49-H68 AromaticContact CE3-CD2 3.53Å; W49-H68 AromaticContact CE3-NE2 3.71Å; W49-H68 AromaticContact CZ3-CD2 3.92Å; W49-H68 PolarHBondContact N-NE2 3.43Å; W49-H68 PolarHBondContact O-CE1 2.97Å; W49-H68 VanDerWaalsContact O-CE1 3.26Å; W49-A71 HydrophobicContact CE3-CB 4.14Å; W49-A71 HydrophobicContact CH2-CB 4.5Å; W49-A71 HydrophobicContact CZ3-CB 4.11Å; W49-L89 HydrophobicContact CZ2-CD1 4.03Å; W49-Y92 AromaticContact CH2-CD1 3.75Å; W49-Y92 HydrophobicContact CH2-CD1 3.75Å; W49-Y92 AromaticContact CH2-CE1 3.8Å; W49-Y92 HydrophobicContact CH2-CE1 3.8Å; W49-Y92 AromaticContact CZ2-CD1 3.72Å; W49-Y92 HydrophobicContact CZ2-CD1 3.72Å; W49-Y92 AromaticContact CZ2-CE1 3.69Å; W49-Y92 HydrophobicContact CZ2-CE1 3.69Å; W49-T93 HydrophobicContact CH2-CG2 3.71Å; W49-T93 VanDerWaalsContact CH2-OG1 3.23Å; W49-T93 WeakPolarHBondContact CH2-OG1 3.45Å; W49-T93 HydrophobicContact CZ3-CG2 3.87Å; W49-I96 HydrophobicContact CZ3-CB 4.46Å; W49-I96 HydrophobicContact CZ3-CG2 4.37Å
50Y98.9Very high98.5Very high30 Ų3057.6 Ų57.612%0.11830%0.304CS..  trans-67.9146.7168.7-53.6-60.4000110.3L5 L41 D43 V53 V58 A61 E115L5-Y50 WeakPolarHBondContact CB-O 3.47Å; L41-Y50 PolarHBondContact O-N 3.48Å; D43-Y50 HydrophobicContact CB-CD1 4.14Å; D43-Y50 HydrophobicContact CB-CE1 3.59Å; D43-Y50 HydrophobicContact CB-CE2 3.99Å; D43-Y50 PolarHBondContact OD1-OH 3.39Å; Y50-V53 HydrophobicContact CD2-CG1 3.99Å; Y50-V53 HydrophobicContact CG-CG1 4.4Å; Y50-V58 HydrophobicContact CD1-CG1 3.91Å; Y50-V58 HydrophobicContact CD1-CG2 4.38Å; Y50-V58 HydrophobicContact CD2-CG1 4.2Å; Y50-V58 HydrophobicContact CD2-CG2 3.59Å; Y50-V58 HydrophobicContact CE1-CG1 4.41Å; Y50-V58 HydrophobicContact CE1-CG2 4.3Å; Y50-V58 HydrophobicContact CE2-CG2 3.51Å; Y50-V58 HydrophobicContact CG-CG1 3.77Å; Y50-V58 HydrophobicContact CG-CG2 4.03Å; Y50-A61 HydrophobicContact CD1-CB 3.99Å; Y50-A61 HydrophobicContact CE1-CB 4.32Å; Y50-E115 HydrophobicContact CE1-CG 4.08Å
51A98.8Very high98.5Very high1 Ų155.3 Ų55.31%0.00829%0.285CS..SBendtrans-65.7-37.8178.400000112.7H4 L5 D60 S62 Q64 Q67H4-A51 WeakPolarHBondContact CA-O 3.13Å; L5-A51 PolarHBondContact N-O 3.06Å; A51-D60 HydrophobicContact CB-CB 4.11Å; A51-D60 PolarHBondContact N-O 3.32Å; A51-S62 PolarHBondContact N-O 3.5Å; A51-Q64 HydrophobicContact CB-CG 3.93Å; A51-Q67 PolarHBondContact O-OE1 3.49Å
52C98.8Very high98.5Very high7 Ų756.3 Ų56.35%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-150134.2-178.9-166.40000112.3T3 V59 D60T3-C52 WeakPolarHBondContact O-CA 3.31Å; C52-V59 HydrophobicContact CB-CB 4.28Å; C52-V59 PolarHBondContact O-N 3.08Å; C52-D60 HydrophobicContact CB-CB 3.89Å; C52-D60 PolarHBondContact N-O 3.27Å; C52-D60 VanDerWaalsContact N-O 3.12Å; C52-D60 PolarHBondContact O-N 2.94Å
53V98.8Very high98.5Very high5 Ų554.3 Ų54.33%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-132.4169.2175.6-56.90000110.4G2 T3 A40 L41 Y50 G57 V58G2-V53 CarbonylContact C-O 3.47Å; G2-V53 VanDerWaalsContact CA-O 3.32Å; G2-V53 WeakPolarHBondContact CA-O 3.28Å; T3-V53 PolarHBondContact N-O 3.28Å; T3-V53 PolarHBondContact O-N 2.87Å; A40-V53 HydrophobicContact CB-CG2 4.26Å; L41-V53 HydrophobicContact CD2-CG1 4.22Å; L41-V53 HydrophobicContact CD2-CG2 3.72Å; L41-V53 HydrophobicContact CG-CG2 3.87Å; Y50-V53 HydrophobicContact CD2-CG1 3.99Å; Y50-V53 HydrophobicContact CG-CG1 4.4Å; V53-G57 CarbonylContact C-O 3.42Å; V53-G57 WeakPolarHBondContact CA-O 3.3Å; V53-G57 WeakPolarHBondContact CB-O 3.42Å; V53-V58 HydrophobicContact CG1-CG2 4.29Å
54N98.3Very high98.5Very high48 Ų4856.3 Ų56.326%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-144.4-172.5167.960.41.1000109.4E56 G57 V59N54-E56 PolarHBondContact ND2-OE2 3.41Å; N54-E56 PolarHBondContact O-N 3.48Å; N54-E56 PolarHBondContact OD1-N 3.38Å; N54-G57 PolarHBondContact N-O 2.66Å; N54-G57 PolarHBondContact O-N 3.23Å; N54-G57 PolarHBondContact OD1-N 3.04Å; N54-G57 PolarHBondContact OD1-O 2.99Å; N54-V59 HydrophobicContact CB-CG2 4.18Å
55D97.7Very high98.6Very high166 Ų16648 Ų4889%0.88826%0.258SS*.THydrogen-bonded Turntrans-67-23.5179.5-64.7-34.5000112.3
56E97.5Very high98.6Very high162 Ų16241.7 Ų41.776%0.75723%0.23SC*.THydrogen-bonded Turntrans-84-20.4177.5-61.178.7-159.700114.1N54N54-E56 PolarHBondContact ND2-OE2 3.41Å; N54-E56 PolarHBondContact O-N 3.48Å; N54-E56 PolarHBondContact OD1-N 3.38Å
57G97.7Very high98.6Very high34 Ų3439 Ų3935%0.35122%0.22SC..EExtended strand (participates in β ladder)trans148.7-150.6178.600000114.7V53 N54V53-G57 CarbonylContact C-O 3.42Å; V53-G57 WeakPolarHBondContact CA-O 3.3Å; V53-G57 WeakPolarHBondContact CB-O 3.42Å; N54-G57 PolarHBondContact N-O 2.66Å; N54-G57 PolarHBondContact O-N 3.23Å; N54-G57 PolarHBondContact OD1-N 3.04Å; N54-G57 PolarHBondContact OD1-O 2.99Å
58V98.6Very high98.6Very high69 Ų6938.4 Ų38.442%0.41821%0.214SC..EExtended strand (participates in β ladder)trans-86.3127.4179.6-175.90000109.7Y50 V53 A61Y50-V58 HydrophobicContact CD1-CG1 3.91Å; Y50-V58 HydrophobicContact CD1-CG2 4.38Å; Y50-V58 HydrophobicContact CD2-CG1 4.2Å; Y50-V58 HydrophobicContact CD2-CG2 3.59Å; Y50-V58 HydrophobicContact CE1-CG1 4.41Å; Y50-V58 HydrophobicContact CE1-CG2 4.3Å; Y50-V58 HydrophobicContact CE2-CG2 3.51Å; Y50-V58 HydrophobicContact CG-CG1 3.77Å; Y50-V58 HydrophobicContact CG-CG2 4.03Å; V53-V58 HydrophobicContact CG1-CG2 4.29Å; V58-A61 HydrophobicContact CG1-CB 3.73Å
59V98.6Very high98.6Very high88 Ų8838.4 Ų38.453%0.53321%0.214SC..EExtended strand (participates in β ladder)trans-97.7-41.9178.9179.50000110.8C52 N54C52-V59 HydrophobicContact CB-CB 4.28Å; C52-V59 PolarHBondContact O-N 3.08Å; N54-V59 HydrophobicContact CB-CG2 4.18Å
60D98.6Very high98.6Very high66 Ų6638.4 Ų38.435%0.35321%0.214SC..EExtended strand (participates in β ladder)trans-135.2110.2173.4179.2-2.1000108.9A51 C52 S62A51-D60 HydrophobicContact CB-CB 4.11Å; A51-D60 PolarHBondContact N-O 3.32Å; C52-D60 HydrophobicContact CB-CB 3.89Å; C52-D60 PolarHBondContact N-O 3.27Å; C52-D60 VanDerWaalsContact N-O 3.12Å; C52-D60 PolarHBondContact O-N 2.94Å; D60-S62 VanDerWaalsContact CG-OG 3.29Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 3.39Å; D60-S62 PolarHBondContact OD2-OG 2.92Å
61A98.7Very high98.6Very high23 Ų2337 Ų3719%0.1921%0.208CC..  trans-86.8-4.5-17600000113.7Y50 V58 E115Y50-A61 HydrophobicContact CD1-CB 3.99Å; Y50-A61 HydrophobicContact CE1-CB 4.32Å; V58-A61 HydrophobicContact CG1-CB 3.73Å; A61-E115 HydrophobicContact CB-CB 3.95Å; A61-E115 HydrophobicContact CB-CG 3.86Å; A61-E115 WeakPolarHBondContact CB-OE2 3.14Å; A61-E115 WeakPolarHBondContact O-CA 3.46Å; A61-E115 WeakPolarHBondContact O-CB 3.45Å
62S98.8Very high98.6Very high24 Ų2437 Ų3717%0.16821%0.208CC..  trans-62.5152.2-179.167.10000112.2A51 D60 Q64A51-S62 PolarHBondContact N-O 3.5Å; D60-S62 VanDerWaalsContact CG-OG 3.29Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 3.39Å; D60-S62 PolarHBondContact OD2-OG 2.92Å; S62-Q64 PolarHBondContact OG-NE2 3.48Å
63K98.9Very high98.6Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-105.886.6-176.9-54.1-61.1175.965.40109.4D43 G47 W49 F101 S112 W113 D114 E115 F117D43-K63 WeakPolarHBondContact OD2-CE 3.49Å; D43-K63 IonicContact OD2-NZ 3.74Å; D43-K63 PolarHBondContact OD2-NZ 3.3Å; G47-K63 PolarHBondContact O-NZ 3.33Å; W49-K63 WeakPolarHBondContact O-CD 3.26Å; K63-F101 HydrophobicContact CB-CZ 4.2Å; K63-S112 CarbonylContact O-C 3.55Å; K63-S112 VanDerWaalsContact O-CA 3.3Å; K63-S112 WeakPolarHBondContact O-CA 3.24Å; K63-W113 HydrophobicContact CB-CB 4.15Å; K63-W113 PolarHBondContact N-O 3.41Å; K63-W113 PolarHBondContact O-N 3.21Å; K63-D114 WeakPolarHBondContact CG-O 3.46Å; K63-E115 WeakPolarHBondContact CE-O 3.49Å; K63-E115 PolarHBondContact NZ-O 3.03Å; K63-F117 HydrophobicContact CB-CD1 4.25Å; K63-F117 HydrophobicContact CB-CE1 3.61Å; K63-F117 HydrophobicContact CB-CZ 3.9Å; K63-F117 HydrophobicContact CD-CE2 4.27Å; K63-F117 HydrophobicContact CD-CZ 3.94Å; K63-F117 HydrophobicContact CG-CD1 4.24Å; K63-F117 HydrophobicContact CG-CD2 4.48Å; K63-F117 HydrophobicContact CG-CE1 3.74Å; K63-F117 HydrophobicContact CG-CE2 4.02Å; K63-F117 HydrophobicContact CG-CZ 3.62Å
64Q98.8Very high98.6Very high42 Ų4236.5 Ų36.520%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-83.2118.2-173.4-61.9-63.2-30.300111.4A51 S62 Y66 Q67 H68A51-Q64 HydrophobicContact CB-CG 3.93Å; S62-Q64 PolarHBondContact OG-NE2 3.48Å; Q64-Y66 PolarHBondContact O-N 3.41Å; Q64-Q67 HydrophobicContact CB-CB 4.12Å; Q64-Q67 HydrophobicContact CB-CG 3.69Å; Q64-Q67 PolarHBondContact O-N 2.89Å; Q64-Q67 VanDerWaalsContact O-N 3.11Å; Q64-H68 PolarHBondContact O-N 3.25Å; Q64-H68 PolarHBondContact O-ND1 3.36Å
65G98.8Very high98.6Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-61.2-45.1-17800000112.6Q67 H68 F69 E111G65-Q67 PolarHBondContact O-N 3.39Å; G65-Q67 VanDerWaalsContact O-N 3.17Å; G65-H68 CarbonylContact O-C 3.41Å; G65-H68 WeakPolarHBondContact O-CA 3.34Å; G65-H68 PolarHBondContact O-N 3.37Å; G65-F69 WeakPolarHBondContact O-CD2 3.49Å; G65-F69 PolarHBondContact O-N 3.23Å; G65-E111 WeakPolarHBondContact CA-O 3.32Å; G65-E111 PolarHBondContact N-O 3.48Å
66Y98.8Very high98.7Very high19 Ų1926.3 Ų26.38%0.07515%0.151CC..Hα-helixtrans-45.6-48.6170.6-179.8-85.3000112.2W6 R10 Q64 F69 F70 N127 H131 F194W6-Y66 HydrophobicContact CB-CE1 4.46Å; R10-Y66 PolarHBondContact NH2-OH 3.3Å; Q64-Y66 PolarHBondContact O-N 3.41Å; Y66-F69 PolarHBondContact O-N 3.42Å; Y66-F70 HydrophobicContact CD1-CD2 4.03Å; Y66-F70 HydrophobicContact CD1-CE2 4.14Å; Y66-F70 AromaticContact CE1-CD2 3.68Å; Y66-F70 HydrophobicContact CE1-CD2 3.68Å; Y66-F70 AromaticContact CE1-CE2 3.45Å; Y66-F70 HydrophobicContact CE1-CE2 3.45Å; Y66-F70 VanDerWaalsContact CE1-CE2 3.45Å; Y66-F70 HydrophobicContact CE2-CE2 4.12Å; Y66-F70 AromaticContact CZ-CE2 3.43Å; Y66-F70 VanDerWaalsContact CZ-CE2 3.43Å; Y66-F70 WeakPolarHBondContact O-CD2 3.39Å; Y66-F70 PolarHBondContact O-N 3.11Å; Y66-F70 WeakPolarHBondContact OH-CE2 3.44Å; Y66-N127 WeakPolarHBondContact CE2-OD1 3.47Å; Y66-H131 AromaticContact CD2-CD2 3.94Å; Y66-H131 AromaticContact CE2-CD2 3.25Å; Y66-H131 WeakPolarHBondContact CE2-CD2 3.32Å; Y66-H131 AromaticContact CE2-NE2 3.73Å; Y66-H131 AromaticContact CZ-CD2 3.78Å; Y66-H131 AromaticContact CZ-NE2 3.95Å; Y66-H131 PolarHBondContact OH-NE2 3.41Å; Y66-F194 HydrophobicContact CE1-CD1 4.13Å; Y66-F194 AromaticContact CE1-CE1 3.88Å; Y66-F194 HydrophobicContact CE1-CE1 3.88Å; Y66-F194 HydrophobicContact CE2-CD1 4.34Å; Y66-F194 AromaticContact CZ-CD1 3.94Å; Y66-F194 AromaticContact CZ-CE1 3.97Å
67Q98.9Very high98.8Very high22 Ų2218.6 Ų18.610%0.10312%0.115CC..Hα-helixtrans-75.4-31.3-177.6-50.5-163.34000112.4L5 W6 A51 Q64 G65 F70 A71L5-Q67 HydrophobicContact CB-CB 4.24Å; L5-Q67 HydrophobicContact CD2-CB 3.67Å; L5-Q67 HydrophobicContact CG-CB 3.95Å; W6-Q67 HydrophobicContact CB-CB 4.16Å; W6-Q67 HydrophobicContact CB-CG 3.9Å; W6-Q67 HydrophobicContact CG-CG 4.45Å; A51-Q67 PolarHBondContact O-OE1 3.49Å; Q64-Q67 HydrophobicContact CB-CB 4.12Å; Q64-Q67 HydrophobicContact CB-CG 3.69Å; Q64-Q67 PolarHBondContact O-N 2.89Å; Q64-Q67 VanDerWaalsContact O-N 3.11Å; G65-Q67 PolarHBondContact O-N 3.39Å; G65-Q67 VanDerWaalsContact O-N 3.17Å; Q67-F70 PolarHBondContact O-N 2.87Å; Q67-A71 PolarHBondContact O-N 3.05Å
68H98.9Very high98.8Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-69.6-33.4173.6-75.872.6000112.2W49 Q64 G65 F70 A71 L72 I97 F101W49-H68 AromaticContact CE3-CD2 3.53Å; W49-H68 AromaticContact CE3-NE2 3.71Å; W49-H68 AromaticContact CZ3-CD2 3.92Å; W49-H68 PolarHBondContact N-NE2 3.43Å; W49-H68 PolarHBondContact O-CE1 2.97Å; W49-H68 VanDerWaalsContact O-CE1 3.26Å; Q64-H68 PolarHBondContact O-N 3.25Å; Q64-H68 PolarHBondContact O-ND1 3.36Å; G65-H68 CarbonylContact O-C 3.41Å; G65-H68 WeakPolarHBondContact O-CA 3.34Å; G65-H68 PolarHBondContact O-N 3.37Å; H68-F70 VanDerWaalsContact C-N 3.34Å; H68-A71 WeakPolarHBondContact O-CB 3.48Å; H68-A71 PolarHBondContact O-N 3.06Å; H68-L72 PolarHBondContact O-N 2.87Å; H68-I97 HydrophobicContact CB-CD1 3.88Å; H68-F101 HydrophobicContact CB-CD2 4.07Å; H68-F101 HydrophobicContact CB-CE2 3.82Å; H68-F101 HydrophobicContact CB-CZ 4.14Å; H68-F101 AromaticContact CD2-CE2 3.36Å; H68-F101 WeakPolarHBondContact CD2-CE2 3.38Å; H68-F101 AromaticContact CD2-CZ 3.9Å; H68-F101 AromaticContact CE1-CZ 3.87Å; H68-F101 AromaticContact CG-CE2 3.41Å; H68-F101 VanDerWaalsContact CG-CE2 3.41Å; H68-F101 AromaticContact CG-CZ 3.62Å; H68-F101 AromaticContact ND1-CE2 3.86Å; H68-F101 AromaticContact ND1-CZ 3.59Å; H68-F101 AromaticContact NE2-CE2 3.83Å
69F98.9Very high98.8Very high0 Ų014.8 Ų14.80%08%0.084CC..Hα-helixtrans-66.7-36.4171.5-65.6-56.7000111.8G65 Y66 L72 L73 I97 F101 C109 A128 H131 A132 A135 F136G65-F69 WeakPolarHBondContact O-CD2 3.49Å; G65-F69 PolarHBondContact O-N 3.23Å; Y66-F69 PolarHBondContact O-N 3.42Å; F69-L72 WeakPolarHBondContact O-CB 3.17Å; F69-L72 PolarHBondContact O-N 3.06Å; F69-L73 PolarHBondContact O-N 2.9Å; F69-I97 HydrophobicContact CD1-CD1 3.87Å; F69-I97 HydrophobicContact CE1-CD1 3.83Å; F69-I97 HydrophobicContact CE1-CG2 4.09Å; F69-F101 HydrophobicContact CE1-CB 4.35Å; F69-F101 HydrophobicContact CZ-CB 3.87Å; F69-C109 HydrophobicContact CE1-CB 4.5Å; F69-C109 HydrophobicContact CE2-CB 3.8Å; F69-C109 HydrophobicContact CZ-CB 3.48Å; F69-C109 VanDerWaalsContact CZ-CB 3.48Å; F69-C109 VanDerWaalsContact CZ-SG 3.53Å; F69-A128 HydrophobicContact CD2-CB 4.39Å; F69-A128 VanDerWaalsContact CD2-O 3.25Å; F69-A128 WeakPolarHBondContact CD2-O 3.38Å; F69-A128 HydrophobicContact CE2-CB 4.39Å; F69-H131 HydrophobicContact CB-CB 4.43Å; F69-A132 HydrophobicContact CD1-CB 3.5Å; F69-A132 HydrophobicContact CD2-CB 3.87Å; F69-A132 HydrophobicContact CE1-CB 3.5Å; F69-A132 HydrophobicContact CE2-CB 3.88Å; F69-A132 HydrophobicContact CG-CB 3.72Å; F69-A132 HydrophobicContact CZ-CB 3.73Å; F69-A135 WeakPolarHBondContact O-CB 3.49Å; F69-F136 HydrophobicContact CD1-CE1 4.38Å; F69-F136 HydrophobicContact CE1-CE1 4.16Å; F69-F136 HydrophobicContact CE1-CZ 4.12Å
70F98.9Very high98.9Very high1 Ų112 Ų120%0.0047%0.068CC..Hα-helixtrans-64.6-38.2168.3-83.6-68.8000112.9W6 A9 R10 Y66 Q67 H68 L72 L73 G74 H131 Y337W6-F70 HydrophobicContact CB-CD2 4.47Å; A9-F70 HydrophobicContact CB-CB 4.04Å; A9-F70 WeakPolarHBondContact CB-O 3.46Å; R10-F70 HydrophobicContact CG-CD1 3.42Å; R10-F70 VanDerWaalsContact CG-CD1 3.42Å; R10-F70 HydrophobicContact CG-CE1 3.64Å; R10-F70 HydrophobicContact CG-CG 4.08Å; R10-F70 HydrophobicContact CG-CZ 4.46Å; R10-F70 VanDerWaalsContact NE-CE1 3.25Å; Y66-F70 HydrophobicContact CD1-CD2 4.03Å; Y66-F70 HydrophobicContact CD1-CE2 4.14Å; Y66-F70 AromaticContact CE1-CD2 3.68Å; Y66-F70 HydrophobicContact CE1-CD2 3.68Å; Y66-F70 AromaticContact CE1-CE2 3.45Å; Y66-F70 HydrophobicContact CE1-CE2 3.45Å; Y66-F70 VanDerWaalsContact CE1-CE2 3.45Å; Y66-F70 HydrophobicContact CE2-CE2 4.12Å; Y66-F70 AromaticContact CZ-CE2 3.43Å; Y66-F70 VanDerWaalsContact CZ-CE2 3.43Å; Y66-F70 WeakPolarHBondContact O-CD2 3.39Å; Y66-F70 PolarHBondContact O-N 3.11Å; Y66-F70 WeakPolarHBondContact OH-CE2 3.44Å; Q67-F70 PolarHBondContact O-N 2.87Å; H68-F70 VanDerWaalsContact C-N 3.34Å; F70-L72 VanDerWaalsContact C-N 3.27Å; F70-L72 PolarHBondContact O-N 3.38Å; F70-L73 HydrophobicContact CD1-CD2 4.04Å; F70-L73 HydrophobicContact CE1-CD2 4.12Å; F70-L73 PolarHBondContact O-N 3.45Å; F70-G74 PolarHBondContact O-N 3.12Å; F70-H131 HydrophobicContact CE2-CB 4.05Å; F70-H131 AromaticContact CE2-CD2 3.69Å; F70-H131 AromaticContact CE2-CG 3.59Å; F70-H131 AromaticContact CE2-ND1 3.86Å; F70-H131 AromaticContact CE2-NE2 3.94Å; F70-H131 HydrophobicContact CZ-CB 4.25Å; F70-H131 AromaticContact CZ-CD2 3.88Å; F70-H131 AromaticContact CZ-CE1 3.51Å; F70-H131 AromaticContact CZ-CG 3.55Å; F70-H131 AromaticContact CZ-ND1 3.3Å; F70-H131 VanDerWaalsContact CZ-ND1 3.3Å; F70-H131 WeakPolarHBondContact CZ-ND1 3.12Å; F70-H131 AromaticContact CZ-NE2 3.78Å; F70-Y337 HydrophobicContact CE1-CD1 4.2Å; F70-Y337 AromaticContact CE1-CE1 3.82Å; F70-Y337 HydrophobicContact CE1-CE1 3.82Å; F70-Y337 HydrophobicContact CZ-CE1 4.37Å
71A99Very high98.9Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-58.8-40.1172.300000111.9L5 A9 M37 W49 Q67 H68 A75 T93L5-A71 HydrophobicContact CD1-CB 4.32Å; A9-A71 HydrophobicContact CB-CB 4.48Å; M37-A71 HydrophobicContact CE-CB 3.43Å; M37-A71 VanDerWaalsContact CE-CB 3.43Å; W49-A71 HydrophobicContact CE3-CB 4.14Å; W49-A71 HydrophobicContact CH2-CB 4.5Å; W49-A71 HydrophobicContact CZ3-CB 4.11Å; Q67-A71 PolarHBondContact O-N 3.05Å; H68-A71 WeakPolarHBondContact O-CB 3.48Å; H68-A71 PolarHBondContact O-N 3.06Å; A71-A75 WeakPolarHBondContact O-CB 3.46Å; A71-A75 PolarHBondContact O-N 2.97Å; A71-T93 HydrophobicContact CB-CG2 4.29Å
72L99Very high98.9Very high0 Ų012 Ų120%08%0.08CC..Hα-helixtrans-64.6-48176-174.366.7000111.3H68 F69 F70 A75 A76 L90 T93 I94 I97 A135 F136 V139H68-L72 PolarHBondContact O-N 2.87Å; F69-L72 WeakPolarHBondContact O-CB 3.17Å; F69-L72 PolarHBondContact O-N 3.06Å; F70-L72 VanDerWaalsContact C-N 3.27Å; F70-L72 PolarHBondContact O-N 3.38Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.03Å; L72-L90 HydrophobicContact CD1-CD1 3.84Å; L72-T93 HydrophobicContact CB-CG2 3.86Å; L72-T93 HydrophobicContact CD1-CG2 3.86Å; L72-T93 HydrophobicContact CG-CG2 4.5Å; L72-I94 HydrophobicContact CD1-CG1 3.94Å; L72-I97 HydrophobicContact CB-CG1 4.39Å; L72-I97 HydrophobicContact CD1-CG1 4.43Å; L72-I97 HydrophobicContact CD2-CG1 4.2Å; L72-I97 HydrophobicContact CD2-CG2 4.47Å; L72-A135 HydrophobicContact CB-CB 4.06Å; L72-A135 HydrophobicContact CD2-CB 3.87Å; L72-A135 HydrophobicContact CG-CB 4.07Å; L72-F136 HydrophobicContact CD2-CD1 3.71Å; L72-F136 HydrophobicContact CD2-CE1 3.72Å; L72-V139 HydrophobicContact CD1-CG2 3.67Å; L72-V139 HydrophobicContact CD2-CG2 3.88Å; L72-V139 HydrophobicContact CG-CG2 3.55Å
73L99Very high98.9Very high3 Ų311.7 Ų11.72%0.0168%0.076CC..Hα-helixtrans-58.6-48.5175.7175.164.1000112F69 F70 A75 A76 S77 E134 A135 I138 Y337F69-L73 PolarHBondContact O-N 2.9Å; F70-L73 HydrophobicContact CD1-CD2 4.04Å; F70-L73 HydrophobicContact CE1-CD2 4.12Å; F70-L73 PolarHBondContact O-N 3.45Å; L73-A75 PolarHBondContact O-N 3.09Å; L73-A76 PolarHBondContact O-N 3.33Å; L73-S77 VanDerWaalsContact O-CB 3.3Å; L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 2.93Å; L73-S77 PolarHBondContact O-OG 3.05Å; L73-E134 HydrophobicContact CD2-CG 4.37Å; L73-A135 HydrophobicContact CB-CB 3.98Å; L73-I138 HydrophobicContact CD1-CB 4.13Å; L73-I138 HydrophobicContact CD1-CG1 3.57Å; L73-Y337 HydrophobicContact CD2-CE2 3.65Å; L73-Y337 WeakPolarHBondContact CD2-OH 3.25Å
74G98.9Very high98.9Very high0 Ų016.4 Ų16.40%011%0.107CC..Hα-helixtrans-59.1-45.8178.800000112F70 S77 A78F70-G74 PolarHBondContact O-N 3.12Å; G74-S77 PolarHBondContact O-N 3.09Å; G74-A78 VanDerWaalsContact O-CB 3.31Å; G74-A78 WeakPolarHBondContact O-CB 3.27Å; G74-A78 PolarHBondContact O-N 3.4Å
75A99Very high98.9Very high0 Ų018.5 Ų18.50%012%0.116CC..Hα-helixtrans-65.4-46177.300000112.5A71 L72 L73 S77 A78 V79 L89 L90A71-A75 WeakPolarHBondContact O-CB 3.46Å; A71-A75 PolarHBondContact O-N 2.97Å; L72-A75 PolarHBondContact O-N 3.35Å; L73-A75 PolarHBondContact O-N 3.09Å; A75-S77 VanDerWaalsContact C-N 3.3Å; A75-S77 PolarHBondContact O-N 3.31Å; A75-A78 PolarHBondContact O-N 3.14Å; A75-V79 WeakPolarHBondContact O-CG2 3.21Å; A75-V79 PolarHBondContact O-N 2.72Å; A75-V79 VanDerWaalsContact O-N 3.11Å; A75-L89 HydrophobicContact CB-CD2 4.1Å; A75-L89 HydrophobicContact CB-CG 3.88Å; A75-L90 HydrophobicContact CB-CB 4.07Å; A75-L90 HydrophobicContact CB-CD1 4.26Å
76A98.9Very high98.9Very high0 Ų018.5 Ų18.50%012%0.116CC..Hα-helixtrans-63.7-36.4178.600000112.2L72 L73 V79 L90 I138 V139 V142L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.03Å; L73-A76 PolarHBondContact O-N 3.33Å; A76-V79 WeakPolarHBondContact O-CB 3.44Å; A76-V79 PolarHBondContact O-N 2.96Å; A76-L90 HydrophobicContact CB-CD1 4.02Å; A76-L90 HydrophobicContact CB-CD2 4.47Å; A76-I138 HydrophobicContact CB-CB 4.18Å; A76-I138 HydrophobicContact CB-CG2 3.74Å; A76-V139 HydrophobicContact CB-CG2 3.84Å; A76-V142 HydrophobicContact CB-CG2 4.23Å
77S98.9Very high98.9Very high0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-71.5-39.3175.4-550000111.9H13 L73 G74 A75 V79 T80H13-S77 WeakPolarHBondContact ND1-CB 3.44Å; H13-S77 PolarHBondContact ND1-OG 3.38Å; L73-S77 VanDerWaalsContact O-CB 3.3Å; L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 2.93Å; L73-S77 PolarHBondContact O-OG 3.05Å; G74-S77 PolarHBondContact O-N 3.09Å; A75-S77 VanDerWaalsContact C-N 3.3Å; A75-S77 PolarHBondContact O-N 3.31Å; S77-V79 PolarHBondContact O-N 2.9Å; S77-T80 PolarHBondContact O-N 3.12Å; S77-T80 VanDerWaalsContact O-N 3.09Å; S77-T80 PolarHBondContact O-OG1 3.06Å
78A98.9Very high98.9Very high0 Ų027.6 Ų27.60%015%0.154CC..Hα-helixtrans-63.9-27.9176.500000113L12 S16 V30 I34 G74 A75 T80 T81 A86L12-A78 HydrophobicContact CD1-CB 3.88Å; L12-A78 HydrophobicContact CD2-CB 4.36Å; L12-A78 HydrophobicContact CG-CB 4.16Å; S16-A78 VanDerWaalsContact OG-CA 3.28Å; S16-A78 WeakPolarHBondContact OG-CA 3.5Å; S16-A78 PolarHBondContact OG-N 3.03Å; V30-A78 HydrophobicContact CG1-CB 4.2Å; I34-A78 HydrophobicContact CD1-CB 4.22Å; I34-A78 HydrophobicContact CG1-CB 4.45Å; G74-A78 VanDerWaalsContact O-CB 3.31Å; G74-A78 WeakPolarHBondContact O-CB 3.27Å; G74-A78 PolarHBondContact O-N 3.4Å; A75-A78 PolarHBondContact O-N 3.14Å; A78-T80 PolarHBondContact O-N 3.06Å; A78-T81 PolarHBondContact O-N 3.33Å; A78-T81 PolarHBondContact O-OG1 3.34Å; A78-A86 HydrophobicContact CB-CB 3.94Å; A78-A86 WeakPolarHBondContact O-CB 3.22Å
79V98.9Very high98.9Very high22 Ų2227.7 Ų27.713%0.13315%0.154CC..Hα-helixtrans-60-33.7173.6163.30000111.8A75 A76 S77 T81 G82 A86 R87 L90 V142A75-V79 WeakPolarHBondContact O-CG2 3.21Å; A75-V79 PolarHBondContact O-N 2.72Å; A75-V79 VanDerWaalsContact O-N 3.11Å; A76-V79 WeakPolarHBondContact O-CB 3.44Å; A76-V79 PolarHBondContact O-N 2.96Å; S77-V79 PolarHBondContact O-N 2.9Å; V79-T81 PolarHBondContact O-N 3.26Å; V79-G82 PolarHBondContact O-N 3.21Å; V79-G82 VanDerWaalsContact O-N 3.16Å; V79-A86 HydrophobicContact CG2-CB 4.04Å; V79-R87 HydrophobicContact CG2-CB 4.46Å; V79-L90 HydrophobicContact CG2-CB 4.02Å; V79-L90 HydrophobicContact CG2-CD2 3.89Å; V79-V142 HydrophobicContact CG1-CB 4.01Å; V79-V142 HydrophobicContact CG1-CG1 4.27Å; V79-V142 HydrophobicContact CG1-CG2 4.32Å
80T98.9Very high98.9Very high30 Ų3027.7 Ų27.718%0.18415%0.154CC..THydrogen-bonded Turntrans-69.9-16.2-178.3790000112.9S77 A78 G82 V142 A355 P356S77-T80 PolarHBondContact O-N 3.12Å; S77-T80 VanDerWaalsContact O-N 3.09Å; S77-T80 PolarHBondContact O-OG1 3.06Å; A78-T80 PolarHBondContact O-N 3.06Å; T80-G82 VanDerWaalsContact C-N 3.28Å; T80-V142 HydrophobicContact CG2-CG1 3.85Å; T80-A355 HydrophobicContact CG2-CB 4.39Å; T80-A355 PolarHBondContact OG1-O 3.23Å; T80-P356 HydrophobicContact CG2-CB 4.46Å; T80-P356 HydrophobicContact CG2-CG 4.01Å
81T98.8Very high98.9Very high28 Ų2831.1 Ų31.117%0.17217%0.172CC..THydrogen-bonded Turntrans-82.4-7.3176.883.40000112.9A19 V30 A78 V79 H83A19-T81 HydrophobicContact CB-CG2 4.4Å; V30-T81 HydrophobicContact CG1-CG2 4.33Å; V30-T81 HydrophobicContact CG2-CG2 4.31Å; A78-T81 PolarHBondContact O-N 3.33Å; A78-T81 PolarHBondContact O-OG1 3.34Å; V79-T81 PolarHBondContact O-N 3.26Å; T81-H83 PolarHBondContact O-N 2.81Å; T81-H83 WeakPolarHBondContact OG1-CB 3.37Å; T81-H83 PolarHBondContact OG1-N 2.93Å
82G98.6Very high98.9Very high62 Ų6233.6 Ų33.664%0.63918%0.182SC*.THydrogen-bonded Turntrans69.716-174.200000114.3V79 T80V79-G82 PolarHBondContact O-N 3.21Å; V79-G82 VanDerWaalsContact O-N 3.16Å; T80-G82 VanDerWaalsContact C-N 3.28Å
83H98.8Very high98.9Very high16 Ų1633.6 Ų33.67%0.07418%0.182CC..  trans-63.3129.7178.6-175.4-71.8000110.6Y27 V30 D31 I34 T81 E85 A86Y27-H83 AromaticContact CE1-CD2 3.92Å; Y27-H83 HydrophobicContact CE2-CB 4.21Å; Y27-H83 AromaticContact CZ-CD2 3.66Å; Y27-H83 VanDerWaalsContact OH-CA 3.31Å; Y27-H83 WeakPolarHBondContact OH-CA 3.04Å; Y27-H83 PolarHBondContact OH-CD2 3.2Å; V30-H83 HydrophobicContact CG1-CB 4.49Å; D31-H83 IonicContact OD1-CE1 3.73Å; D31-H83 IonicContact OD1-NE2 3.66Å; D31-H83 PolarHBondContact OD1-NE2 3.33Å; I34-H83 HydrophobicContact CD1-CB 3.94Å; I34-H83 VanDerWaalsContact CD1-CG 3.47Å; I34-H83 VanDerWaalsContact CD1-ND1 3.28Å; I34-H83 WeakPolarHBondContact CD1-ND1 3.39Å; T81-H83 PolarHBondContact O-N 2.81Å; T81-H83 WeakPolarHBondContact OG1-CB 3.37Å; T81-H83 PolarHBondContact OG1-N 2.93Å; H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact ND1-N 3.44Å; H83-E85 PolarHBondContact O-N 3.06Å; H83-E85 VanDerWaalsContact O-N 3.13Å; H83-A86 HydrophobicContact CB-CB 4.08Å; H83-A86 WeakPolarHBondContact O-CB 3.28Å; H83-A86 PolarHBondContact O-N 3.25Å
84P98.7Very high98.9Very high99 Ų9934.5 Ų34.564%0.64319%0.187SC*.THydrogen-bonded Turntrans-60.2-32.6-167.920.7-33.2000113.9
85E98.8Very high98.8Very high86 Ų8640.5 Ų40.540%0.40222%0.215SC..THydrogen-bonded Turntrans-89.9-5178.2-61.6-59.8123.700114.4I34 H83 K88 L89I34-E85 HydrophobicContact CG2-CB 3.9Å; H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact ND1-N 3.44Å; H83-E85 PolarHBondContact O-N 3.06Å; H83-E85 VanDerWaalsContact O-N 3.13Å; E85-K88 PolarHBondContact O-N 3.09Å; E85-K88 IonicContact OE2-NZ 3.94Å; E85-L89 PolarHBondContact O-N 2.93Å
86A98.9Very high98.8Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-68.9-40.8-173.400000112.5I34 A78 V79 H83 K88 L89 L90I34-A86 HydrophobicContact CD1-CB 3.92Å; A78-A86 HydrophobicContact CB-CB 3.94Å; A78-A86 WeakPolarHBondContact O-CB 3.22Å; V79-A86 HydrophobicContact CG2-CB 4.04Å; H83-A86 HydrophobicContact CB-CB 4.08Å; H83-A86 WeakPolarHBondContact O-CB 3.28Å; H83-A86 PolarHBondContact O-N 3.25Å; A86-K88 PolarHBondContact O-N 3.34Å; A86-L89 WeakPolarHBondContact O-CB 3.36Å; A86-L89 PolarHBondContact O-N 3.38Å; A86-L90 PolarHBondContact O-N 3.14Å
87R98.8Very high98.8Very high95 Ų9541 Ų4136%0.35822%0.217SC..Hα-helixtrans-61.7-46.2177.6-178.45862.2169.29.3111.2V79 L89 L90 D91 V142V79-R87 HydrophobicContact CG2-CB 4.46Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.98Å; R87-L90 WeakPolarHBondContact O-CB 3.25Å; R87-L90 PolarHBondContact O-N 3.34Å; R87-L90 VanDerWaalsContact O-N 3.1Å; R87-D91 PolarHBondContact O-N 3.36Å; R87-V142 PolarHBondContact NH1-O 3.13Å; R87-V142 PolarHBondContact NH2-O 3.36Å
88K98.8Very high98.8Very high138 Ų13844 Ų4460%0.623%0.232SC*.Hα-helixtrans-60.4-38.2176.4-175.7-178.4177.7-175.80112.6E85 A86 Y92E85-K88 PolarHBondContact O-N 3.09Å; E85-K88 IonicContact OE2-NZ 3.94Å; A86-K88 PolarHBondContact O-N 3.34Å; K88-Y92 PolarHBondContact O-N 2.88Å
89L98.9Very high98.8Very high2 Ų250.9 Ų50.91%0.0126%0.261CS..Hα-helixtrans-63.7-47.2173176.462.3000110.9L12 I34 M37 W49 A75 E85 A86 R87 D91 Y92 T93L12-L89 HydrophobicContact CD2-CD2 4.03Å; I34-L89 HydrophobicContact CB-CD2 4.47Å; I34-L89 HydrophobicContact CG1-CD2 4.09Å; I34-L89 HydrophobicContact CG2-CD2 4.36Å; M37-L89 HydrophobicContact CB-CD1 3.81Å; M37-L89 HydrophobicContact CB-CD2 3.89Å; M37-L89 HydrophobicContact CG-CD2 4.18Å; W49-L89 HydrophobicContact CZ2-CD1 4.03Å; A75-L89 HydrophobicContact CB-CD2 4.1Å; A75-L89 HydrophobicContact CB-CG 3.88Å; E85-L89 PolarHBondContact O-N 2.93Å; A86-L89 WeakPolarHBondContact O-CB 3.36Å; A86-L89 PolarHBondContact O-N 3.38Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.98Å; L89-D91 PolarHBondContact O-N 3.25Å; L89-Y92 PolarHBondContact O-N 2.96Å; L89-T93 PolarHBondContact O-N 2.7Å; L89-T93 PolarHBondContact O-OG1 2.99Å
90L98.9Very high98.8Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-59-46.9177.8174.461.5000111.9L72 A75 A76 V79 A86 R87 Y92 T93 I94 V139 V142L72-L90 HydrophobicContact CD1-CD1 3.84Å; A75-L90 HydrophobicContact CB-CB 4.07Å; A75-L90 HydrophobicContact CB-CD1 4.26Å; A76-L90 HydrophobicContact CB-CD1 4.02Å; A76-L90 HydrophobicContact CB-CD2 4.47Å; V79-L90 HydrophobicContact CG2-CB 4.02Å; V79-L90 HydrophobicContact CG2-CD2 3.89Å; A86-L90 PolarHBondContact O-N 3.14Å; R87-L90 WeakPolarHBondContact O-CB 3.25Å; R87-L90 PolarHBondContact O-N 3.34Å; R87-L90 VanDerWaalsContact O-N 3.1Å; L90-Y92 VanDerWaalsContact C-N 3.34Å; L90-Y92 PolarHBondContact O-N 2.93Å; L90-T93 PolarHBondContact O-N 2.94Å; L90-T93 VanDerWaalsContact O-N 3.09Å; L90-I94 HydrophobicContact CD1-CD1 3.99Å; L90-I94 HydrophobicContact CD1-CG1 4.08Å; L90-I94 HydrophobicContact CG-CD1 3.93Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 3.31Å; L90-V139 HydrophobicContact CD1-CG2 4.11Å; L90-V142 HydrophobicContact CD2-CG2 3.67Å
91D98.9Very high98.8Very high73 Ų7350 Ų5039%0.3925%0.253SS..Hα-helixtrans-60-45.1-179.2-60.9-21.4000110.8R87 L89 T93 I94 E95R87-D91 PolarHBondContact O-N 3.36Å; L89-D91 PolarHBondContact O-N 3.25Å; D91-T93 PolarHBondContact O-N 2.76Å; D91-I94 PolarHBondContact O-N 3.21Å; D91-E95 WeakPolarHBondContact O-CG 3.27Å; D91-E95 PolarHBondContact O-N 3.38Å
92Y98.9Very high98.8Very high52 Ų5249.1 Ų49.120%0.20425%0.246CC..Hα-helixtrans-62.3-40.4173.3176.2-101.4000112.6G47 G48 W49 K88 L89 L90 E95 I96G47-Y92 WeakPolarHBondContact CA-OH 3.32Å; G48-Y92 PolarHBondContact N-OH 3.1Å; G48-Y92 VanDerWaalsContact N-OH 3.1Å; W49-Y92 AromaticContact CH2-CD1 3.75Å; W49-Y92 HydrophobicContact CH2-CD1 3.75Å; W49-Y92 AromaticContact CH2-CE1 3.8Å; W49-Y92 HydrophobicContact CH2-CE1 3.8Å; W49-Y92 AromaticContact CZ2-CD1 3.72Å; W49-Y92 HydrophobicContact CZ2-CD1 3.72Å; W49-Y92 AromaticContact CZ2-CE1 3.69Å; W49-Y92 HydrophobicContact CZ2-CE1 3.69Å; K88-Y92 PolarHBondContact O-N 2.88Å; L89-Y92 PolarHBondContact O-N 2.96Å; L90-Y92 VanDerWaalsContact C-N 3.34Å; L90-Y92 PolarHBondContact O-N 2.93Å; Y92-E95 WeakPolarHBondContact O-CB 3.31Å; Y92-E95 PolarHBondContact O-N 3.18Å; Y92-I96 HydrophobicContact CD1-CG1 4.46Å; Y92-I96 HydrophobicContact CE1-CG1 4Å; Y92-I96 HydrophobicContact CE2-CD1 4.32Å; Y92-I96 HydrophobicContact CE2-CG1 4.31Å; Y92-I96 WeakPolarHBondContact O-CG1 3.31Å; Y92-I96 PolarHBondContact O-N 3.4Å; Y92-I96 VanDerWaalsContact O-N 3.14Å
93T98.9Very high98.8Very high0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-65-40.3177.1-49.10000111.8W49 A71 L72 L89 L90 D91 E95 I96 I97W49-T93 HydrophobicContact CH2-CG2 3.71Å; W49-T93 VanDerWaalsContact CH2-OG1 3.23Å; W49-T93 WeakPolarHBondContact CH2-OG1 3.45Å; W49-T93 HydrophobicContact CZ3-CG2 3.87Å; A71-T93 HydrophobicContact CB-CG2 4.29Å; L72-T93 HydrophobicContact CB-CG2 3.86Å; L72-T93 HydrophobicContact CD1-CG2 3.86Å; L72-T93 HydrophobicContact CG-CG2 4.5Å; L89-T93 PolarHBondContact O-N 2.7Å; L89-T93 PolarHBondContact O-OG1 2.99Å; L90-T93 PolarHBondContact O-N 2.94Å; L90-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 PolarHBondContact O-N 2.76Å; T93-E95 VanDerWaalsContact C-N 3.34Å; T93-E95 PolarHBondContact O-N 3.39Å; T93-I96 PolarHBondContact O-N 2.97Å; T93-I97 HydrophobicContact CG2-CG1 4.28Å; T93-I97 VanDerWaalsContact O-CG1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 3.22Å
94I98.9Very high98.8Very high22 Ų2251.5 Ų51.511%0.11324%0.242CC..Hα-helixtrans-58.1-47.5174.1-74.2170.6000110.2L72 L90 D91 I96 I97 E98 V139 W148L72-I94 HydrophobicContact CD1-CG1 3.94Å; L90-I94 HydrophobicContact CD1-CD1 3.99Å; L90-I94 HydrophobicContact CD1-CG1 4.08Å; L90-I94 HydrophobicContact CG-CD1 3.93Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 3.31Å; D91-I94 PolarHBondContact O-N 3.21Å; I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.32Å; I94-I97 PolarHBondContact O-N 2.84Å; I94-E98 HydrophobicContact CG2-CG 4.24Å; I94-E98 WeakPolarHBondContact O-CG 3.23Å; I94-E98 PolarHBondContact O-N 2.91Å; I94-V139 HydrophobicContact CD1-CG1 3.98Å; I94-V139 HydrophobicContact CG1-CG1 4.46Å; I94-W148 HydrophobicContact CB-CH2 4.45Å; I94-W148 HydrophobicContact CB-CZ2 4.24Å; I94-W148 HydrophobicContact CD1-CZ2 3.92Å; I94-W148 HydrophobicContact CG1-CH2 4.07Å; I94-W148 HydrophobicContact CG1-CZ2 3.71Å; I94-W148 HydrophobicContact CG2-CH2 3.99Å; I94-W148 HydrophobicContact CG2-CZ2 3.64Å
95E98.8Very high98.8Very high126 Ų12655.6 Ų55.659%0.58925%0.253SS*.Hα-helixtrans-56-43.9177.1-70.8174.6179.900112.1D91 Y92 T93 K99D91-E95 WeakPolarHBondContact O-CG 3.27Å; D91-E95 PolarHBondContact O-N 3.38Å; Y92-E95 WeakPolarHBondContact O-CB 3.31Å; Y92-E95 PolarHBondContact O-N 3.18Å; T93-E95 VanDerWaalsContact C-N 3.34Å; T93-E95 PolarHBondContact O-N 3.39Å; E95-K99 WeakPolarHBondContact O-CB 2.98Å; E95-K99 PolarHBondContact O-N 2.88Å; E95-K99 VanDerWaalsContact O-N 3.09Å
96I98.9Very high98.8Very high10 Ų1053.6 Ų53.65%0.05124%0.243CC..Hα-helixtrans-66.8-43.4178-64.7-58.8000111.8G48 W49 Y92 T93 I94 K99 Y100 F101G48-I96 VanDerWaalsContact N-CD1 3.27Å; W49-I96 HydrophobicContact CZ3-CB 4.46Å; W49-I96 HydrophobicContact CZ3-CG2 4.37Å; Y92-I96 HydrophobicContact CD1-CG1 4.46Å; Y92-I96 HydrophobicContact CE1-CG1 4Å; Y92-I96 HydrophobicContact CE2-CD1 4.32Å; Y92-I96 HydrophobicContact CE2-CG1 4.31Å; Y92-I96 WeakPolarHBondContact O-CG1 3.31Å; Y92-I96 PolarHBondContact O-N 3.4Å; Y92-I96 VanDerWaalsContact O-N 3.14Å; T93-I96 PolarHBondContact O-N 2.97Å; I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.32Å; I96-K99 PolarHBondContact O-N 2.94Å; I96-Y100 HydrophobicContact CD1-CE2 4.39Å; I96-Y100 HydrophobicContact CG2-CD2 4.36Å; I96-Y100 PolarHBondContact O-N 3.41Å; I96-F101 HydrophobicContact CG2-CD2 4.32Å; I96-F101 HydrophobicContact CG2-CE2 4.05Å
97I98.9Very high98.8Very high0 Ų057 Ų570%026%0.26CS..Hα-helixtrans-64.5-49.9-179.8-68.2-68.5000110.8H68 F69 L72 T93 I94 K99 Y100 F101 W102 F136H68-I97 HydrophobicContact CB-CD1 3.88Å; F69-I97 HydrophobicContact CD1-CD1 3.87Å; F69-I97 HydrophobicContact CE1-CD1 3.83Å; F69-I97 HydrophobicContact CE1-CG2 4.09Å; L72-I97 HydrophobicContact CB-CG1 4.39Å; L72-I97 HydrophobicContact CD1-CG1 4.43Å; L72-I97 HydrophobicContact CD2-CG1 4.2Å; L72-I97 HydrophobicContact CD2-CG2 4.47Å; T93-I97 HydrophobicContact CG2-CG1 4.28Å; T93-I97 VanDerWaalsContact O-CG1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 3.22Å; I94-I97 PolarHBondContact O-N 2.84Å; I97-K99 PolarHBondContact O-N 2.67Å; I97-Y100 PolarHBondContact O-N 3.3Å; I97-F101 HydrophobicContact CD1-CB 4.09Å; I97-F101 HydrophobicContact CD1-CD2 4.02Å; I97-F101 HydrophobicContact CD1-CG 4.33Å; I97-F101 CarbonylContact O-C 3.42Å; I97-F101 WeakPolarHBondContact O-CA 3.29Å; I97-F101 PolarHBondContact O-N 2.92Å; I97-W102 HydrophobicContact CG2-CB 4.5Å; I97-W102 PolarHBondContact O-N 3.38Å; I97-F136 HydrophobicContact CG2-CE1 4.22Å
98E98.8Very high98.8Very high64 Ų6452.6 Ų52.630%0.29924%0.243SC..Hα-helixtrans-66.6-28.3-179.7-65.1-161123.700112.6I94 K147 W148 R151I94-E98 HydrophobicContact CG2-CG 4.24Å; I94-E98 WeakPolarHBondContact O-CG 3.23Å; I94-E98 PolarHBondContact O-N 2.91Å; E98-K147 VanDerWaalsContact CD-NZ 3.26Å; E98-K147 WeakPolarHBondContact OE1-CE 2.98Å; E98-K147 IonicContact OE1-NZ 3.96Å; E98-K147 PolarHBondContact OE1-NZ 3.37Å; E98-K147 IonicContact OE2-NZ 3.27Å; E98-K147 PolarHBondContact OE2-NZ 3.25Å; E98-K147 VanDerWaalsContact OE2-NZ 3.1Å; E98-W148 HydrophobicContact CG-CH2 4.02Å; E98-R151 IonicContact OE1-CZ 2.68Å; E98-R151 VanDerWaalsContact OE1-CZ 3.32Å; E98-R151 IonicContact OE1-NH1 2.68Å; E98-R151 PolarHBondContact OE1-NH1 3.3Å; E98-R151 IonicContact OE1-NH2 3.54Å; E98-R151 PolarHBondContact OE1-NH2 3.12Å
99K98.6Very high98.8Very high143 Ų14346 Ų4662%0.62221%0.214SC*.Hα-helixtrans-78.6-36.5179.3-172.5174.5-179.8-162.90113.7E95 I96 I97E95-K99 WeakPolarHBondContact O-CB 2.98Å; E95-K99 PolarHBondContact O-N 2.88Å; E95-K99 VanDerWaalsContact O-N 3.09Å; I96-K99 PolarHBondContact O-N 2.94Å; I97-K99 PolarHBondContact O-N 2.67Å
100Y98.8Very high98.8Very high35 Ų3546.6 Ų46.614%0.13722%0.217CC..Hα-helixtrans-127.7-22.8-167.5-61.7-65.9000115.5I96 I97 W113 F117I96-Y100 HydrophobicContact CD1-CE2 4.39Å; I96-Y100 HydrophobicContact CG2-CD2 4.36Å; I96-Y100 PolarHBondContact O-N 3.41Å; I97-Y100 PolarHBondContact O-N 3.3Å; Y100-W113 PolarHBondContact O-NE1 3.47Å; Y100-F117 HydrophobicContact CD1-CB 3.75Å; Y100-F117 AromaticContact CD1-CD1 3.5Å; Y100-F117 HydrophobicContact CD1-CD1 3.5Å; Y100-F117 HydrophobicContact CD1-CD2 4.48Å; Y100-F117 HydrophobicContact CD1-CE1 4.15Å; Y100-F117 AromaticContact CD1-CG 3.7Å; Y100-F117 HydrophobicContact CD1-CG 3.7Å; Y100-F117 AromaticContact CD2-CD1 3.82Å; Y100-F117 HydrophobicContact CD2-CD1 3.82Å; Y100-F117 HydrophobicContact CD2-CD2 4.24Å; Y100-F117 AromaticContact CD2-CE1 3.64Å; Y100-F117 HydrophobicContact CD2-CE1 3.64Å; Y100-F117 HydrophobicContact CD2-CE2 4.06Å; Y100-F117 HydrophobicContact CD2-CG 4.12Å; Y100-F117 AromaticContact CD2-CZ 3.77Å; Y100-F117 HydrophobicContact CD2-CZ 3.77Å; Y100-F117 HydrophobicContact CE1-CB 3.37Å; Y100-F117 AromaticContact CE1-CD1 3.89Å; Y100-F117 HydrophobicContact CE1-CD1 3.89Å; Y100-F117 HydrophobicContact CE1-CD2 4.08Å; Y100-F117 AromaticContact CE1-CG 3.55Å; Y100-F117 HydrophobicContact CE1-CG 3.55Å; Y100-F117 HydrophobicContact CE2-CD1 4.17Å; Y100-F117 AromaticContact CE2-CD2 3.8Å; Y100-F117 HydrophobicContact CE2-CD2 3.8Å; Y100-F117 HydrophobicContact CE2-CE1 4.19Å; Y100-F117 AromaticContact CE2-CE2 3.8Å; Y100-F117 HydrophobicContact CE2-CE2 3.8Å; Y100-F117 AromaticContact CE2-CG 3.98Å; Y100-F117 HydrophobicContact CE2-CG 3.98Å; Y100-F117 HydrophobicContact CE2-CZ 4.01Å; Y100-F117 AromaticContact CG-CD1 3.45Å; Y100-F117 HydrophobicContact CG-CD1 3.45Å; Y100-F117 VanDerWaalsContact CG-CD1 3.45Å; Y100-F117 AromaticContact CG-CE1 3.6Å; Y100-F117 HydrophobicContact CG-CE1 3.6Å; Y100-F117 AromaticContact CG-CG 3.97Å; Y100-F117 HydrophobicContact CG-CG 3.97Å; Y100-F117 HydrophobicContact CG-CZ 4.22Å; Y100-F117 AromaticContact CZ-CD2 3.7Å; Y100-F117 AromaticContact CZ-CG 3.68Å
101F98.9Very high98.8Very high0 Ų047.1 Ų47.10%022%0.22CC..THydrogen-bonded Turntrans-118.2-28-169.6-65.3-73.9000114K63 H68 F69 I96 I97 C109 L110 W113 F117K63-F101 HydrophobicContact CB-CZ 4.2Å; H68-F101 HydrophobicContact CB-CD2 4.07Å; H68-F101 HydrophobicContact CB-CE2 3.82Å; H68-F101 HydrophobicContact CB-CZ 4.14Å; H68-F101 AromaticContact CD2-CE2 3.36Å; H68-F101 WeakPolarHBondContact CD2-CE2 3.38Å; H68-F101 AromaticContact CD2-CZ 3.9Å; H68-F101 AromaticContact CE1-CZ 3.87Å; H68-F101 AromaticContact CG-CE2 3.41Å; H68-F101 VanDerWaalsContact CG-CE2 3.41Å; H68-F101 AromaticContact CG-CZ 3.62Å; H68-F101 AromaticContact ND1-CE2 3.86Å; H68-F101 AromaticContact ND1-CZ 3.59Å; H68-F101 AromaticContact NE2-CE2 3.83Å; F69-F101 HydrophobicContact CE1-CB 4.35Å; F69-F101 HydrophobicContact CZ-CB 3.87Å; I96-F101 HydrophobicContact CG2-CD2 4.32Å; I96-F101 HydrophobicContact CG2-CE2 4.05Å; I97-F101 HydrophobicContact CD1-CB 4.09Å; I97-F101 HydrophobicContact CD1-CD2 4.02Å; I97-F101 HydrophobicContact CD1-CG 4.33Å; I97-F101 CarbonylContact O-C 3.42Å; I97-F101 WeakPolarHBondContact O-CA 3.29Å; I97-F101 PolarHBondContact O-N 2.92Å; F101-C109 CarbonylContact O-C 3.02Å; F101-C109 WeakPolarHBondContact O-CA 3.45Å; F101-L110 PolarHBondContact O-N 2.74Å; F101-W113 AromaticContact CE1-CD1 3.73Å; F101-F117 HydrophobicContact CE2-CE1 4.02Å; F101-F117 AromaticContact CZ-CE1 4Å; F101-F117 HydrophobicContact CZ-CE1 4Å
102W98.9Very high98.8Very high8 Ų844.1 Ų44.13%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-90.2118.7165.6176.6-100.5000109.5I97 E104 Q107 F136 R151 V155I97-W102 HydrophobicContact CG2-CB 4.5Å; I97-W102 PolarHBondContact O-N 3.38Å; W102-E104 VanDerWaalsContact NE1-CD 3.27Å; W102-E104 PolarHBondContact NE1-OE1 3.16Å; W102-Q107 HydrophobicContact CH2-CB 4.47Å; W102-Q107 VanDerWaalsContact CH2-O 3.28Å; W102-Q107 WeakPolarHBondContact CH2-O 3.24Å; W102-Q107 HydrophobicContact CZ2-CB 4.3Å; W102-F136 HydrophobicContact CE3-CE2 4.1Å; W102-F136 HydrophobicContact CE3-CZ 4.26Å; W102-F136 HydrophobicContact CZ3-CE2 4.29Å; W102-R151 VanDerWaalsContact CD1-CZ 3.46Å; W102-R151 HydrophobicContact CD2-CG 4.1Å; W102-R151 HydrophobicContact CE3-CB 4.4Å; W102-R151 HydrophobicContact CE3-CG 4.12Å; W102-R151 HydrophobicContact CH2-CB 3.87Å; W102-R151 HydrophobicContact CH2-CG 3.55Å; W102-R151 HydrophobicContact CZ2-CB 4.35Å; W102-R151 HydrophobicContact CZ2-CG 3.51Å; W102-R151 HydrophobicContact CZ3-CB 3.9Å; W102-R151 HydrophobicContact CZ3-CG 3.86Å; W102-R151 VanDerWaalsContact NE1-NE 3.11Å; W102-V155 HydrophobicContact CZ3-CG2 4.01Å
103S98.8Very high98.8Very high16 Ų1643.8 Ų43.811%0.11220%0.203CC..EExtended strand (participates in β ladder)trans-91.9112.6175.4177.40000110E105 E106 Q107 M108S103-E105 PolarHBondContact O-N 3.45Å; S103-E105 PolarHBondContact OG-N 2.75Å; S103-E106 PolarHBondContact O-N 2.87Å; S103-E106 WeakPolarHBondContact OG-CG 3.2Å; S103-E106 PolarHBondContact OG-N 3.26Å; S103-E106 VanDerWaalsContact OG-N 3.1Å; S103-Q107 VanDerWaalsContact O-CA 3.28Å; S103-Q107 WeakPolarHBondContact O-CA 3.47Å; S103-Q107 PolarHBondContact O-N 2.74Å; S103-M108 WeakPolarHBondContact CB-O 3.26Å; S103-M108 PolarHBondContact N-O 2.85Å
104E98.5Very high98.8Very high112 Ų11246.3 Ų46.352%0.52322%0.217SC..THydrogen-bonded Turntrans-65.7-26.1172.5-72.7-62.3153.600112.3W102 Q107 R151W102-E104 VanDerWaalsContact NE1-CD 3.27Å; W102-E104 PolarHBondContact NE1-OE1 3.16Å; E104-Q107 PolarHBondContact O-NE2 3.04Å; E104-Q107 PolarHBondContact OE2-NE2 3.48Å; E104-R151 IonicContact OE1-CZ 3.29Å; E104-R151 IonicContact OE1-NH2 3.08Å; E104-R151 PolarHBondContact OE1-NH2 3.32Å
105E98.4Very high98.8Very high186 Ų18648.8 Ų48.887%0.86923%0.228SC*.THydrogen-bonded Turntrans-73.2-46.9176.1-177.5176.9176.800111.8S103S103-E105 PolarHBondContact O-N 3.45Å; S103-E105 PolarHBondContact OG-N 2.75Å
106E98.6Very high98.8Very high43 Ų4344.4 Ų44.420%0.20121%0.213CC..THydrogen-bonded Turntrans-83.8-18.1-177.6-59.9175.3-147.800112.5S103 M108 L110 R124 W179S103-E106 PolarHBondContact O-N 2.87Å; S103-E106 WeakPolarHBondContact OG-CG 3.2Å; S103-E106 PolarHBondContact OG-N 3.26Å; S103-E106 VanDerWaalsContact OG-N 3.1Å; E106-M108 HydrophobicContact CB-CB 4.27Å; E106-M108 PolarHBondContact O-N 3.45Å; E106-L110 WeakPolarHBondContact OE1-CD2 3.34Å; E106-R124 IonicContact OE1-CZ 3.2Å; E106-R124 IonicContact OE1-NE 2.71Å; E106-R124 PolarHBondContact OE1-NE 3.19Å; E106-R124 IonicContact OE1-NH2 3.88Å; E106-R124 PolarHBondContact OE1-NH2 2.93Å; E106-R124 IonicContact OE2-CZ 2.76Å; E106-R124 IonicContact OE2-NE 2.78Å; E106-R124 PolarHBondContact OE2-NE 2.91Å; E106-R124 IonicContact OE2-NH2 2.87Å; E106-W179 PolarHBondContact OE2-NE1 3.28Å
107Q98.8Very high98.7Very high73 Ų7344.7 Ų44.734%0.34121%0.214SC..THydrogen-bonded Turntrans51.140.2-168.5-66-70.2-61.800111.6W102 S103 E104 R154W102-Q107 HydrophobicContact CH2-CB 4.47Å; W102-Q107 VanDerWaalsContact CH2-O 3.28Å; W102-Q107 WeakPolarHBondContact CH2-O 3.24Å; W102-Q107 HydrophobicContact CZ2-CB 4.3Å; S103-Q107 VanDerWaalsContact O-CA 3.28Å; S103-Q107 WeakPolarHBondContact O-CA 3.47Å; S103-Q107 PolarHBondContact O-N 2.74Å; E104-Q107 PolarHBondContact O-NE2 3.04Å; E104-Q107 PolarHBondContact OE2-NE2 3.48Å; Q107-R154 HydrophobicContact CB-CG 4.2Å; Q107-R154 WeakPolarHBondContact O-CG 3.3Å
108M98.9Very high98.7Very high2 Ų249 Ų491%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-150.8169.9-177.3-68.5-63.1-7300110.4S103 E106 V155 V158 I159 W179S103-M108 WeakPolarHBondContact CB-O 3.26Å; S103-M108 PolarHBondContact N-O 2.85Å; E106-M108 HydrophobicContact CB-CB 4.27Å; E106-M108 PolarHBondContact O-N 3.45Å; M108-V155 HydrophobicContact CE-CB 4.45Å; M108-V155 HydrophobicContact CE-CG1 4.03Å; M108-V155 HydrophobicContact CE-CG2 4.41Å; M108-V155 HydrophobicContact SD-CB 4.35Å; M108-V155 HydrophobicContact SD-CG2 4.03Å; M108-V158 HydrophobicContact CE-CB 3.95Å; M108-V158 HydrophobicContact CE-CG1 3.94Å; M108-V158 HydrophobicContact SD-CB 3.85Å; M108-V158 HydrophobicContact SD-CG1 4.19Å; M108-V158 HydrophobicContact SD-CG2 3.81Å; M108-I159 HydrophobicContact CE-CD1 3.83Å; M108-I159 HydrophobicContact CE-CG1 3.95Å; M108-W179 HydrophobicContact CB-CH2 3.99Å; M108-W179 HydrophobicContact CB-CZ2 3.24Å; M108-W179 HydrophobicContact CE-CE3 4.29Å; M108-W179 HydrophobicContact CE-CH2 3.41Å; M108-W179 VanDerWaalsContact CE-CH2 3.41Å; M108-W179 HydrophobicContact CE-CZ2 3.89Å; M108-W179 HydrophobicContact CE-CZ3 3.66Å; M108-W179 HydrophobicContact CG-CD2 4.45Å; M108-W179 HydrophobicContact CG-CH2 4.27Å; M108-W179 HydrophobicContact CG-CZ2 3.73Å
109C98.9Very high98.7Very high0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-89.8137.2179.2-55.20000113.2F69 F101 N129 A132F69-C109 HydrophobicContact CE1-CB 4.5Å; F69-C109 HydrophobicContact CE2-CB 3.8Å; F69-C109 HydrophobicContact CZ-CB 3.48Å; F69-C109 VanDerWaalsContact CZ-CB 3.48Å; F69-C109 VanDerWaalsContact CZ-SG 3.53Å; F101-C109 CarbonylContact O-C 3.02Å; F101-C109 WeakPolarHBondContact O-CA 3.45Å; C109-N129 WeakPolarHBondContact CB-OD1 3.45Å; C109-N129 PolarHBondContact N-OD1 3.39Å; C109-N129 PolarHBondContact O-ND2 2.94Å; C109-A132 HydrophobicContact CB-CB 4.42Å; C109-A132 WeakPolarHBondContact SG-CB 3.43Å
110L98.8Very high98.7Very high14 Ų1446.9 Ų46.97%0.07324%0.237CC..  trans-79.9151.5172-55.2-175.2000111.1F101 E106 W113 R124F101-L110 PolarHBondContact O-N 2.74Å; E106-L110 WeakPolarHBondContact OE1-CD2 3.34Å; L110-W113 HydrophobicContact CD1-CZ2 3.71Å; L110-R124 VanDerWaalsContact CD2-CZ 3.44Å; L110-R124 VanDerWaalsContact CD2-NE 3.3Å
111E98.8Very high98.7Very high10 Ų1047.7 Ų47.75%0.04724%0.242CC..  trans-82.7-57.6-170.4179.471.2-172.700113.7G65 E121 Y123 G125 A128 R195G65-E111 WeakPolarHBondContact CA-O 3.32Å; G65-E111 PolarHBondContact N-O 3.48Å; E111-E121 VanDerWaalsContact CG-OE2 3.28Å; E111-E121 WeakPolarHBondContact CG-OE2 3.02Å; E111-Y123 HydrophobicContact CB-CD1 3.87Å; E111-Y123 HydrophobicContact CB-CE1 4.38Å; E111-Y123 HydrophobicContact CG-CD1 3.57Å; E111-Y123 HydrophobicContact CG-CE1 3.82Å; E111-G125 WeakPolarHBondContact OE2-CA 3.38Å; E111-A128 VanDerWaalsContact OE2-CB 3.3Å; E111-A128 WeakPolarHBondContact OE2-CB 3.36Å; E111-R195 VanDerWaalsContact CD-NH2 3.29Å; E111-R195 IonicContact OE1-CZ 3.74Å; E111-R195 VanDerWaalsContact OE1-CZ 3.31Å; E111-R195 IonicContact OE1-NE 3.64Å; E111-R195 PolarHBondContact OE1-NE 3.41Å; E111-R195 IonicContact OE1-NH2 3.98Å; E111-R195 PolarHBondContact OE1-NH2 3.24Å
112S98.8Very high98.6Very high10 Ų1054.8 Ų54.87%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-160.5165.6-174.778.20000112.2K63 T120 E121K63-S112 CarbonylContact O-C 3.55Å; K63-S112 VanDerWaalsContact O-CA 3.3Å; K63-S112 WeakPolarHBondContact O-CA 3.24Å; S112-T120 WeakPolarHBondContact O-CA 3.3Å; S112-T120 PolarHBondContact O-OG1 2.76Å; S112-T120 VanDerWaalsContact O-OG1 3.12Å; S112-E121 PolarHBondContact O-N 3.21Å; S112-E121 WeakPolarHBondContact OG-CB 3.48Å; S112-E121 PolarHBondContact OG-OE2 2.95Å
113W98.9Very high98.6Very high45 Ų4554.7 Ų54.717%0.1728%0.275CS..EExtended strand (participates in β ladder)trans-136.7160.7174.1-58.976.6000111.2K63 Y100 F101 L110 F117 K119 T120K63-W113 HydrophobicContact CB-CB 4.15Å; K63-W113 PolarHBondContact N-O 3.41Å; K63-W113 PolarHBondContact O-N 3.21Å; Y100-W113 PolarHBondContact O-NE1 3.47Å; F101-W113 AromaticContact CE1-CD1 3.73Å; L110-W113 HydrophobicContact CD1-CZ2 3.71Å; W113-F117 HydrophobicContact CB-CD1 3.78Å; W113-F117 HydrophobicContact CB-CE1 4.41Å; W113-F117 HydrophobicContact CD2-CD1 4.15Å; W113-F117 HydrophobicContact CE3-CB 4.36Å; W113-F117 AromaticContact CG-CD1 3.72Å; W113-F117 HydrophobicContact CG-CD1 3.72Å; W113-F117 HydrophobicContact CG-CE1 4.39Å; W113-K119 WeakPolarHBondContact CA-O 3.23Å; W113-K119 VanDerWaalsContact CE3-C 3.43Å; W113-T120 VanDerWaalsContact CE3-N 3.26Å; W113-T120 HydrophobicContact CH2-CG2 4.35Å
114D98.7Very high98.6Very high54 Ų5454.4 Ų54.429%0.28927%0.271SS..  trans-62.8166.9161.171.1-47.7000111.5K63 A116 F117 S118 K119K63-D114 WeakPolarHBondContact CG-O 3.46Å; D114-A116 PolarHBondContact O-N 3.31Å; D114-A116 VanDerWaalsContact O-N 3.14Å; D114-F117 PolarHBondContact O-N 3.43Å; D114-S118 VanDerWaalsContact CG-OG 3.29Å; D114-S118 PolarHBondContact OD1-N 2.72Å; D114-S118 PolarHBondContact OD1-OG 3.34Å; D114-S118 PolarHBondContact OD2-OG 2.69Å; D114-K119 PolarHBondContact N-O 3.2Å; D114-K119 PolarHBondContact OD1-N 2.95Å
115E98.8Very high98.6Very high74 Ų7449.1 Ų49.135%0.34625%0.246SC..THydrogen-bonded Turntrans-49.4-44.4-178.3-178-172.7161.800112.4Y46 Y50 A61 K63 F117Y46-E115 HydrophobicContact CD2-CG 4.08Å; Y46-E115 HydrophobicContact CE2-CG 4.31Å; Y50-E115 HydrophobicContact CE1-CG 4.08Å; A61-E115 HydrophobicContact CB-CB 3.95Å; A61-E115 HydrophobicContact CB-CG 3.86Å; A61-E115 WeakPolarHBondContact CB-OE2 3.14Å; A61-E115 WeakPolarHBondContact O-CA 3.46Å; A61-E115 WeakPolarHBondContact O-CB 3.45Å; K63-E115 WeakPolarHBondContact CE-O 3.49Å; K63-E115 PolarHBondContact NZ-O 3.03Å; E115-F117 VanDerWaalsContact C-N 3.28Å; E115-F117 PolarHBondContact O-N 3.29Å
116A98.6Very high98.6Very high34 Ų3440.2 Ų40.228%0.28121%0.205SC..THydrogen-bonded Turntrans-82.61.9-173.300000114.5Y46 D114 S118Y46-A116 HydrophobicContact CD1-CB 3.93Å; Y46-A116 HydrophobicContact CD2-CB 4.42Å; Y46-A116 HydrophobicContact CE1-CB 3.67Å; Y46-A116 HydrophobicContact CE2-CB 4.2Å; Y46-A116 HydrophobicContact CG-CB 4.29Å; D114-A116 PolarHBondContact O-N 3.31Å; D114-A116 VanDerWaalsContact O-N 3.14Å; A116-S118 PolarHBondContact O-N 2.83Å
117F98.7Very high98.6Very high16 Ų1638.4 Ų38.47%0.0720%0.197CC..SBendtrans51.939.3-169.7-61.3-81.2000112.9Y46 G47 K63 Y100 F101 W113 D114 E115Y46-F117 WeakPolarHBondContact O-CE2 3.42Å; G47-F117 VanDerWaalsContact O-CE2 3.26Å; G47-F117 WeakPolarHBondContact O-CE2 3.36Å; K63-F117 HydrophobicContact CB-CD1 4.25Å; K63-F117 HydrophobicContact CB-CE1 3.61Å; K63-F117 HydrophobicContact CB-CZ 3.9Å; K63-F117 HydrophobicContact CD-CE2 4.27Å; K63-F117 HydrophobicContact CD-CZ 3.94Å; K63-F117 HydrophobicContact CG-CD1 4.24Å; K63-F117 HydrophobicContact CG-CD2 4.48Å; K63-F117 HydrophobicContact CG-CE1 3.74Å; K63-F117 HydrophobicContact CG-CE2 4.02Å; K63-F117 HydrophobicContact CG-CZ 3.62Å; Y100-F117 HydrophobicContact CD1-CB 3.75Å; Y100-F117 AromaticContact CD1-CD1 3.5Å; Y100-F117 HydrophobicContact CD1-CD1 3.5Å; Y100-F117 HydrophobicContact CD1-CD2 4.48Å; Y100-F117 HydrophobicContact CD1-CE1 4.15Å; Y100-F117 AromaticContact CD1-CG 3.7Å; Y100-F117 HydrophobicContact CD1-CG 3.7Å; Y100-F117 AromaticContact CD2-CD1 3.82Å; Y100-F117 HydrophobicContact CD2-CD1 3.82Å; Y100-F117 HydrophobicContact CD2-CD2 4.24Å; Y100-F117 AromaticContact CD2-CE1 3.64Å; Y100-F117 HydrophobicContact CD2-CE1 3.64Å; Y100-F117 HydrophobicContact CD2-CE2 4.06Å; Y100-F117 HydrophobicContact CD2-CG 4.12Å; Y100-F117 AromaticContact CD2-CZ 3.77Å; Y100-F117 HydrophobicContact CD2-CZ 3.77Å; Y100-F117 HydrophobicContact CE1-CB 3.37Å; Y100-F117 AromaticContact CE1-CD1 3.89Å; Y100-F117 HydrophobicContact CE1-CD1 3.89Å; Y100-F117 HydrophobicContact CE1-CD2 4.08Å; Y100-F117 AromaticContact CE1-CG 3.55Å; Y100-F117 HydrophobicContact CE1-CG 3.55Å; Y100-F117 HydrophobicContact CE2-CD1 4.17Å; Y100-F117 AromaticContact CE2-CD2 3.8Å; Y100-F117 HydrophobicContact CE2-CD2 3.8Å; Y100-F117 HydrophobicContact CE2-CE1 4.19Å; Y100-F117 AromaticContact CE2-CE2 3.8Å; Y100-F117 HydrophobicContact CE2-CE2 3.8Å; Y100-F117 AromaticContact CE2-CG 3.98Å; Y100-F117 HydrophobicContact CE2-CG 3.98Å; Y100-F117 HydrophobicContact CE2-CZ 4.01Å; Y100-F117 AromaticContact CG-CD1 3.45Å; Y100-F117 HydrophobicContact CG-CD1 3.45Å; Y100-F117 VanDerWaalsContact CG-CD1 3.45Å; Y100-F117 AromaticContact CG-CE1 3.6Å; Y100-F117 HydrophobicContact CG-CE1 3.6Å; Y100-F117 AromaticContact CG-CG 3.97Å; Y100-F117 HydrophobicContact CG-CG 3.97Å; Y100-F117 HydrophobicContact CG-CZ 4.22Å; Y100-F117 AromaticContact CZ-CD2 3.7Å; Y100-F117 AromaticContact CZ-CG 3.68Å; F101-F117 HydrophobicContact CE2-CE1 4.02Å; F101-F117 AromaticContact CZ-CE1 4Å; F101-F117 HydrophobicContact CZ-CE1 4Å; W113-F117 HydrophobicContact CB-CD1 3.78Å; W113-F117 HydrophobicContact CB-CE1 4.41Å; W113-F117 HydrophobicContact CD2-CD1 4.15Å; W113-F117 HydrophobicContact CE3-CB 4.36Å; W113-F117 AromaticContact CG-CD1 3.72Å; W113-F117 HydrophobicContact CG-CD1 3.72Å; W113-F117 HydrophobicContact CG-CE1 4.39Å; D114-F117 PolarHBondContact O-N 3.43Å; E115-F117 VanDerWaalsContact C-N 3.28Å; E115-F117 PolarHBondContact O-N 3.29Å
118S98.3Very high98.6Very high91 Ų9135 Ų3564%0.63618%0.18SC*.  trans-95.3-29.5-178.577.20000113D114 A116D114-S118 VanDerWaalsContact CG-OG 3.29Å; D114-S118 PolarHBondContact OD1-N 2.72Å; D114-S118 PolarHBondContact OD1-OG 3.34Å; D114-S118 PolarHBondContact OD2-OG 2.69Å; A116-S118 PolarHBondContact O-N 2.83Å
119K98.3Very high98.6Very high127 Ų12734.9 Ų34.955%0.55218%0.18SC*.  trans-139121.5178.4-173.2179.6179-174.40110.2W113 D114 E122W113-K119 WeakPolarHBondContact CA-O 3.23Å; W113-K119 VanDerWaalsContact CE3-C 3.43Å; D114-K119 PolarHBondContact N-O 3.2Å; D114-K119 PolarHBondContact OD1-N 2.95Å; K119-E122 IonicContact NZ-OE2 3.9Å
120T98.5Very high98.6Very high35 Ų3534.9 Ų34.922%0.21518%0.18CC..BIsolated β-bridgetrans-79.4152.5169.9-1650000110.5S112 W113S112-T120 WeakPolarHBondContact O-CA 3.3Å; S112-T120 PolarHBondContact O-OG1 2.76Å; S112-T120 VanDerWaalsContact O-OG1 3.12Å; W113-T120 VanDerWaalsContact CE3-N 3.26Å; W113-T120 HydrophobicContact CH2-CG2 4.35Å
121E98.4Very high98.6Very high52 Ų5234.3 Ų34.324%0.24318%0.177CC..  trans-65140.1177.4-165.1178.6175.300111.7E111 S112 Y123 R124 R195E111-E121 VanDerWaalsContact CG-OE2 3.28Å; E111-E121 WeakPolarHBondContact CG-OE2 3.02Å; S112-E121 PolarHBondContact O-N 3.21Å; S112-E121 WeakPolarHBondContact OG-CB 3.48Å; S112-E121 PolarHBondContact OG-OE2 2.95Å; E121-Y123 PolarHBondContact O-N 2.63Å; E121-R124 PolarHBondContact O-NH1 2.87Å; E121-R124 VanDerWaalsContact O-NH1 3.08Å; E121-R195 IonicContact OE1-CZ 2.75Å; E121-R195 IonicContact OE1-NH1 3.62Å; E121-R195 PolarHBondContact OE1-NH1 3.13Å; E121-R195 IonicContact OE1-NH2 3.98Å; E121-R195 PolarHBondContact OE1-NH2 3.25Å; E121-R195 IonicContact OE2-CZ 2.7Å; E121-R195 IonicContact OE2-NH1 3.7Å; E121-R195 IonicContact OE2-NH2 2.8Å; E121-R195 PolarHBondContact OE2-NH2 3.09Å
122E98.2Very high98.6Very high149 Ų14933.8 Ų33.870%0.69618%0.175SC*.SBendtrans-79.850175-66.3177.9128.500111K119 T177K119-E122 IonicContact NZ-OE2 3.9Å; E122-T177 HydrophobicContact CB-CG2 4.14Å; E122-T177 HydrophobicContact CG-CG2 4.48Å
123Y98.6Very high98.6Very high5 Ų533.3 Ų33.32%0.0217%0.171CC..  trans-153.6149-178.4168.2-85.8000109.8E111 E121 G125 E173 H174 Y185E111-Y123 HydrophobicContact CB-CD1 3.87Å; E111-Y123 HydrophobicContact CB-CE1 4.38Å; E111-Y123 HydrophobicContact CG-CD1 3.57Å; E111-Y123 HydrophobicContact CG-CE1 3.82Å; E121-Y123 PolarHBondContact O-N 2.63Å; Y123-G125 VanDerWaalsContact CE1-CA 3.4Å; Y123-E173 PolarHBondContact OH-O 3.34Å; Y123-E173 VanDerWaalsContact OH-O 3.13Å; Y123-H174 HydrophobicContact CE2-CB 3.9Å; Y123-H174 AromaticContact CE2-ND1 3.77Å; Y123-H174 AromaticContact CZ-ND1 3.73Å; Y123-H174 PolarHBondContact OH-ND1 2.82Å; Y123-Y185 HydrophobicContact CD2-CD2 4.19Å; Y123-Y185 HydrophobicContact CD2-CE1 4.43Å; Y123-Y185 AromaticContact CD2-CE2 3.55Å; Y123-Y185 HydrophobicContact CD2-CE2 3.55Å; Y123-Y185 AromaticContact CD2-CZ 3.69Å; Y123-Y185 HydrophobicContact CE2-CD1 4.26Å; Y123-Y185 HydrophobicContact CE2-CD2 4.16Å; Y123-Y185 AromaticContact CE2-CE1 3.86Å; Y123-Y185 HydrophobicContact CE2-CE1 3.86Å; Y123-Y185 AromaticContact CE2-CE2 3.75Å; Y123-Y185 HydrophobicContact CE2-CE2 3.75Å; Y123-Y185 HydrophobicContact CE2-CG 4.4Å; Y123-Y185 AromaticContact CE2-CZ 3.58Å
124R98.8Very high98.6Very high11 Ų1131.7 Ų31.74%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-125.5133.2171-64.1-65.5177.2-84.2-3.2109.5E106 L110 E121 F175 D176 W179E106-R124 IonicContact OE1-CZ 3.2Å; E106-R124 IonicContact OE1-NE 2.71Å; E106-R124 PolarHBondContact OE1-NE 3.19Å; E106-R124 IonicContact OE1-NH2 3.88Å; E106-R124 PolarHBondContact OE1-NH2 2.93Å; E106-R124 IonicContact OE2-CZ 2.76Å; E106-R124 IonicContact OE2-NE 2.78Å; E106-R124 PolarHBondContact OE2-NE 2.91Å; E106-R124 IonicContact OE2-NH2 2.87Å; L110-R124 VanDerWaalsContact CD2-CZ 3.44Å; L110-R124 VanDerWaalsContact CD2-NE 3.3Å; E121-R124 PolarHBondContact O-NH1 2.87Å; E121-R124 VanDerWaalsContact O-NH1 3.08Å; R124-F175 HydrophobicContact CB-CB 3.95Å; R124-F175 PolarHBondContact N-O 2.73Å; R124-F175 PolarHBondContact O-N 3.06Å; R124-D176 WeakPolarHBondContact CG-O 3.25Å; R124-W179 HydrophobicContact CB-CD2 4.15Å; R124-W179 HydrophobicContact CB-CE3 4.17Å; R124-W179 HydrophobicContact CB-CH2 3.8Å; R124-W179 HydrophobicContact CB-CZ2 3.74Å; R124-W179 HydrophobicContact CB-CZ3 4Å; R124-W179 HydrophobicContact CG-CD2 4.28Å; R124-W179 HydrophobicContact CG-CH2 4.42Å; R124-W179 HydrophobicContact CG-CZ2 3.84Å
125G98.6Very high98.6Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-116.7124.8-170.500000113.8E111 Y123 N127 N129 E173E111-G125 WeakPolarHBondContact OE2-CA 3.38Å; Y123-G125 VanDerWaalsContact CE1-CA 3.4Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.76Å; G125-N129 WeakPolarHBondContact O-CB 3.38Å; G125-N129 PolarHBondContact O-N 2.86Å; G125-N129 PolarHBondContact O-ND2 2.88Å; G125-E173 CarbonylContact C-O 3.47Å; G125-E173 WeakPolarHBondContact CA-O 3.45Å
126G98.4Very high98.6Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-62.2-33.4169.900000112.5N129 M130 E173G126-N129 PolarHBondContact O-N 3.46Å; G126-M130 WeakPolarHBondContact O-CB 3.48Å; G126-M130 PolarHBondContact O-N 2.8Å; G126-E173 PolarHBondContact N-O 3.26Å
127N98.3Very high98.7Very high5 Ų524.5 Ų24.53%0.02712%0.124CC..Hα-helixtrans-68.1-47.7-178.8-166.34.8000113Y66 G125 N129 M130 H131 F194 H203Y66-N127 WeakPolarHBondContact CE2-OD1 3.47Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.76Å; N127-N129 VanDerWaalsContact C-N 3.29Å; N127-N129 PolarHBondContact O-N 2.87Å; N127-M130 WeakPolarHBondContact O-CB 3.37Å; N127-M130 PolarHBondContact O-N 2.66Å; N127-H131 PolarHBondContact O-N 3.11Å; N127-F194 PolarHBondContact ND2-O 3.41Å; N127-H203 PolarHBondContact ND2-CE1 2.99Å
128A98.6Very high98.7Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-62.5-39.5174.100000111.5F69 E111 M130 H131 A132F69-A128 HydrophobicContact CD2-CB 4.39Å; F69-A128 VanDerWaalsContact CD2-O 3.25Å; F69-A128 WeakPolarHBondContact CD2-O 3.38Å; F69-A128 HydrophobicContact CE2-CB 4.39Å; E111-A128 VanDerWaalsContact OE2-CB 3.3Å; E111-A128 WeakPolarHBondContact OE2-CB 3.36Å; A128-M130 PolarHBondContact O-N 2.72Å; A128-H131 PolarHBondContact O-N 3.17Å; A128-A132 PolarHBondContact O-N 2.83Å
129N98.9Very high98.7Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-65.1-35176.4-85.5-93.7000112.7C109 G125 G126 N127 A132 V133 V155C109-N129 WeakPolarHBondContact CB-OD1 3.45Å; C109-N129 PolarHBondContact N-OD1 3.39Å; C109-N129 PolarHBondContact O-ND2 2.94Å; G125-N129 WeakPolarHBondContact O-CB 3.38Å; G125-N129 PolarHBondContact O-N 2.86Å; G125-N129 PolarHBondContact O-ND2 2.88Å; G126-N129 PolarHBondContact O-N 3.46Å; N127-N129 VanDerWaalsContact C-N 3.29Å; N127-N129 PolarHBondContact O-N 2.87Å; N129-A132 WeakPolarHBondContact O-CB 3.03Å; N129-A132 PolarHBondContact O-N 2.99Å; N129-V133 PolarHBondContact O-N 3.29Å; N129-V155 HydrophobicContact CB-CG1 3.63Å
130M98.9Very high98.7Very high0 Ų014.1 Ų14.10%07%0.068CC..Hα-helixtrans-60.2-49.7173.8-172-178.968.400111.7G126 N127 A128 A132 V133 E134 H203 E206 W207 L210G126-M130 WeakPolarHBondContact O-CB 3.48Å; G126-M130 PolarHBondContact O-N 2.8Å; N127-M130 WeakPolarHBondContact O-CB 3.37Å; N127-M130 PolarHBondContact O-N 2.66Å; A128-M130 PolarHBondContact O-N 2.72Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 2.86Å; M130-V133 WeakPolarHBondContact O-CB 3.44Å; M130-V133 PolarHBondContact O-N 2.97Å; M130-V133 VanDerWaalsContact O-N 3.15Å; M130-E134 PolarHBondContact O-N 2.81Å; M130-E134 VanDerWaalsContact O-N 3.1Å; M130-H203 HydrophobicContact CE-CB 4.38Å; M130-H203 HydrophobicContact SD-CB 3.98Å; M130-E206 HydrophobicContact CE-CG 4.16Å; M130-E206 WeakPolarHBondContact CE-OE2 3.22Å; M130-E206 HydrophobicContact SD-CB 4.01Å; M130-E206 HydrophobicContact SD-CG 3.93Å; M130-W207 HydrophobicContact CB-CD2 4.33Å; M130-W207 HydrophobicContact CB-CH2 4.12Å; M130-W207 HydrophobicContact CB-CZ2 3.41Å; M130-W207 VanDerWaalsContact CB-CZ2 3.41Å; M130-W207 HydrophobicContact CG-CD2 3.87Å; M130-W207 HydrophobicContact CG-CE3 4.49Å; M130-W207 HydrophobicContact CG-CG 4.15Å; M130-W207 HydrophobicContact CG-CH2 4.47Å; M130-W207 HydrophobicContact CG-CZ2 3.9Å; M130-W207 HydrophobicContact SD-CD2 4.46Å; M130-W207 HydrophobicContact SD-CG 4.14Å; M130-L210 HydrophobicContact CG-CD1 3.66Å; M130-L210 WeakPolarHBondContact O-CD1 3.23Å
131H98.8Very high98.7Very high2 Ų213.7 Ų13.71%0.0097%0.065CC..Hα-helixtrans-74.8-18.1177.8-68.2-62.5000113.2Y66 F69 F70 N127 A128 E134 A135 E206Y66-H131 AromaticContact CD2-CD2 3.94Å; Y66-H131 AromaticContact CE2-CD2 3.25Å; Y66-H131 WeakPolarHBondContact CE2-CD2 3.32Å; Y66-H131 AromaticContact CE2-NE2 3.73Å; Y66-H131 AromaticContact CZ-CD2 3.78Å; Y66-H131 AromaticContact CZ-NE2 3.95Å; Y66-H131 PolarHBondContact OH-NE2 3.41Å; F69-H131 HydrophobicContact CB-CB 4.43Å; F70-H131 HydrophobicContact CE2-CB 4.05Å; F70-H131 AromaticContact CE2-CD2 3.69Å; F70-H131 AromaticContact CE2-CG 3.59Å; F70-H131 AromaticContact CE2-ND1 3.86Å; F70-H131 AromaticContact CE2-NE2 3.94Å; F70-H131 HydrophobicContact CZ-CB 4.25Å; F70-H131 AromaticContact CZ-CD2 3.88Å; F70-H131 AromaticContact CZ-CE1 3.51Å; F70-H131 AromaticContact CZ-CG 3.55Å; F70-H131 AromaticContact CZ-ND1 3.3Å; F70-H131 VanDerWaalsContact CZ-ND1 3.3Å; F70-H131 WeakPolarHBondContact CZ-ND1 3.12Å; F70-H131 AromaticContact CZ-NE2 3.78Å; N127-H131 PolarHBondContact O-N 3.11Å; A128-H131 PolarHBondContact O-N 3.17Å; H131-E134 IonicContact CE1-OE2 2.73Å; H131-E134 IonicContact CG-OE2 3.32Å; H131-E134 IonicContact ND1-OE2 3.75Å; H131-E134 PolarHBondContact ND1-OE2 3.44Å; H131-A135 WeakPolarHBondContact O-CB 3.26Å; H131-A135 PolarHBondContact O-N 3.49Å; H131-E206 IonicContact CE1-OE1 3.29Å; H131-E206 PolarHBondContact CE1-OE1 2.89Å
132A98.9Very high98.7Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-63.6-46.516500000111F69 C109 A128 N129 M130 E134 A135 F136F69-A132 HydrophobicContact CD1-CB 3.5Å; F69-A132 HydrophobicContact CD2-CB 3.87Å; F69-A132 HydrophobicContact CE1-CB 3.5Å; F69-A132 HydrophobicContact CE2-CB 3.88Å; F69-A132 HydrophobicContact CG-CB 3.72Å; F69-A132 HydrophobicContact CZ-CB 3.73Å; C109-A132 HydrophobicContact CB-CB 4.42Å; C109-A132 WeakPolarHBondContact SG-CB 3.43Å; A128-A132 PolarHBondContact O-N 2.83Å; N129-A132 WeakPolarHBondContact O-CB 3.03Å; N129-A132 PolarHBondContact O-N 2.99Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 2.86Å; A132-E134 VanDerWaalsContact C-N 3.33Å; A132-E134 PolarHBondContact O-N 3.45Å; A132-A135 PolarHBondContact O-N 3Å; A132-F136 HydrophobicContact CB-CE1 4.47Å; A132-F136 HydrophobicContact CB-CE2 4.15Å; A132-F136 HydrophobicContact CB-CZ 4.06Å; A132-F136 VanDerWaalsContact O-CB 3.31Å; A132-F136 WeakPolarHBondContact O-CB 3.31Å; A132-F136 VanDerWaalsContact O-CD1 3.26Å; A132-F136 WeakPolarHBondContact O-CD1 3.44Å; A132-F136 WeakPolarHBondContact O-CD2 3.27Å; A132-F136 WeakPolarHBondContact O-CG 3.49Å; A132-F136 PolarHBondContact O-N 3.09Å
133V98.9Very high98.8Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-57.5-47.4174.7170.10000111.1N129 M130 A135 F136 L137 A152 V155 W207 L210 I214N129-V133 PolarHBondContact O-N 3.29Å; M130-V133 WeakPolarHBondContact O-CB 3.44Å; M130-V133 PolarHBondContact O-N 2.97Å; M130-V133 VanDerWaalsContact O-N 3.15Å; V133-A135 PolarHBondContact O-N 3.28Å; V133-F136 PolarHBondContact O-N 3.25Å; V133-L137 HydrophobicContact CG1-CD1 4.24Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.86Å; V133-A152 HydrophobicContact CG1-CB 4.17Å; V133-A152 HydrophobicContact CG2-CB 4.5Å; V133-V155 HydrophobicContact CG2-CB 3.76Å; V133-V155 HydrophobicContact CG2-CG1 3.76Å; V133-W207 HydrophobicContact CB-CZ3 4.28Å; V133-W207 HydrophobicContact CG1-CZ3 4.48Å; V133-W207 HydrophobicContact CG2-CH2 3.86Å; V133-W207 HydrophobicContact CG2-CZ3 3.8Å; V133-L210 HydrophobicContact CG1-CB 4.12Å; V133-L210 HydrophobicContact CG1-CD1 4.38Å; V133-I214 HydrophobicContact CG1-CD1 3.95Å
134E98.9Very high98.7Very high11 Ų1113.3 Ų13.35%0.0517%0.068CC..Hα-helixtrans-57.7-47.4177.1-175.2173.1-131.200112.5L73 M130 H131 A132 R209 L210 Y337 H341L73-E134 HydrophobicContact CD2-CG 4.37Å; M130-E134 PolarHBondContact O-N 2.81Å; M130-E134 VanDerWaalsContact O-N 3.1Å; H131-E134 IonicContact CE1-OE2 2.73Å; H131-E134 IonicContact CG-OE2 3.32Å; H131-E134 IonicContact ND1-OE2 3.75Å; H131-E134 PolarHBondContact ND1-OE2 3.44Å; A132-E134 VanDerWaalsContact C-N 3.33Å; A132-E134 PolarHBondContact O-N 3.45Å; E134-R209 IonicContact OE1-NH2 3.31Å; E134-L210 HydrophobicContact CB-CD1 4.12Å; E134-L210 HydrophobicContact CB-CD2 3.83Å; E134-L210 HydrophobicContact CG-CD2 3.96Å; E134-Y337 PolarHBondContact OE1-OH 2.71Å; E134-Y337 PolarHBondContact OE2-OH 2.74Å; E134-Y337 VanDerWaalsContact OE2-OH 3.07Å; E134-H341 IonicContact OE1-CE1 3.31Å; E134-H341 PolarHBondContact OE1-CE1 3.33Å; E134-H341 IonicContact OE1-NE2 3.53Å
135A98.9Very high98.7Very high0 Ų016.1 Ų16.10%08%0.083CC..Hα-helixtrans-66.5-43.6177.600000112F69 L72 L73 H131 A132 V133 L137 I138 V139F69-A135 WeakPolarHBondContact O-CB 3.49Å; L72-A135 HydrophobicContact CB-CB 4.06Å; L72-A135 HydrophobicContact CD2-CB 3.87Å; L72-A135 HydrophobicContact CG-CB 4.07Å; L73-A135 HydrophobicContact CB-CB 3.98Å; H131-A135 WeakPolarHBondContact O-CB 3.26Å; H131-A135 PolarHBondContact O-N 3.49Å; A132-A135 PolarHBondContact O-N 3Å; V133-A135 PolarHBondContact O-N 3.28Å; A135-L137 VanDerWaalsContact C-N 3.3Å; A135-L137 PolarHBondContact O-N 3.02Å; A135-I138 PolarHBondContact O-N 3.1Å; A135-I138 VanDerWaalsContact O-N 3.13Å; A135-V139 VanDerWaalsContact O-CG2 3.31Å; A135-V139 WeakPolarHBondContact O-CG2 3.3Å; A135-V139 PolarHBondContact O-N 3.14Å
136F98.9Very high98.7Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-61.5-36.4-178.7-67.9-7.8000112.4F69 L72 I97 W102 A132 V133 I138 V139 Y140 W148 R151 A152F69-F136 HydrophobicContact CD1-CE1 4.38Å; F69-F136 HydrophobicContact CE1-CE1 4.16Å; F69-F136 HydrophobicContact CE1-CZ 4.12Å; L72-F136 HydrophobicContact CD2-CD1 3.71Å; L72-F136 HydrophobicContact CD2-CE1 3.72Å; I97-F136 HydrophobicContact CG2-CE1 4.22Å; W102-F136 HydrophobicContact CE3-CE2 4.1Å; W102-F136 HydrophobicContact CE3-CZ 4.26Å; W102-F136 HydrophobicContact CZ3-CE2 4.29Å; A132-F136 HydrophobicContact CB-CE1 4.47Å; A132-F136 HydrophobicContact CB-CE2 4.15Å; A132-F136 HydrophobicContact CB-CZ 4.06Å; A132-F136 VanDerWaalsContact O-CB 3.31Å; A132-F136 WeakPolarHBondContact O-CB 3.31Å; A132-F136 VanDerWaalsContact O-CD1 3.26Å; A132-F136 WeakPolarHBondContact O-CD1 3.44Å; A132-F136 WeakPolarHBondContact O-CD2 3.27Å; A132-F136 WeakPolarHBondContact O-CG 3.49Å; A132-F136 PolarHBondContact O-N 3.09Å; V133-F136 PolarHBondContact O-N 3.25Å; F136-I138 PolarHBondContact O-N 3.47Å; F136-V139 PolarHBondContact O-N 2.98Å; F136-Y140 WeakPolarHBondContact O-CB 3.37Å; F136-Y140 PolarHBondContact O-N 3.18Å; F136-W148 HydrophobicContact CB-CB 4.36Å; F136-W148 HydrophobicContact CB-CE3 4.47Å; F136-W148 WeakPolarHBondContact CB-O 3.16Å; F136-W148 AromaticContact CD1-CE3 3.5Å; F136-W148 HydrophobicContact CD1-CE3 3.5Å; F136-W148 VanDerWaalsContact CD1-CE3 3.5Å; F136-W148 AromaticContact CD1-CZ3 3.74Å; F136-W148 HydrophobicContact CD1-CZ3 3.74Å; F136-W148 AromaticContact CE1-CE3 3.8Å; F136-W148 HydrophobicContact CE1-CE3 3.8Å; F136-W148 AromaticContact CE1-CZ3 3.57Å; F136-W148 HydrophobicContact CE1-CZ3 3.57Å; F136-W148 AromaticContact CG-CE3 3.93Å; F136-W148 HydrophobicContact CG-CE3 3.93Å; F136-W148 HydrophobicContact CZ-CE3 4.45Å; F136-W148 HydrophobicContact CZ-CZ3 4.24Å; F136-R151 HydrophobicContact CD2-CB 3.73Å; F136-R151 HydrophobicContact CE2-CB 3.73Å; F136-A152 HydrophobicContact CB-CB 4.28Å
137L98.9Very high98.7Very high10 Ų1023.1 Ų23.15%0.05211%0.114CC..Hα-helixtrans-57.2-46.7173.2-76.9162.4000111.8V133 A135 Y140 D141 L149 L210 H213 I214V133-L137 HydrophobicContact CG1-CD1 4.24Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.86Å; A135-L137 VanDerWaalsContact C-N 3.3Å; A135-L137 PolarHBondContact O-N 3.02Å; L137-Y140 WeakPolarHBondContact O-CB 3.35Å; L137-Y140 PolarHBondContact O-N 3.48Å; L137-D141 PolarHBondContact O-N 3.3Å; L137-L149 HydrophobicContact CD2-CD1 4.05Å; L137-L210 HydrophobicContact CD1-CD2 4.39Å; L137-H213 HydrophobicContact CD1-CB 3.76Å; L137-H213 HydrophobicContact CD2-CB 4.27Å; L137-I214 HydrophobicContact CD1-CG1 4.37Å; L137-I214 HydrophobicContact CD2-CG1 3.89Å; L137-I214 HydrophobicContact CG-CG1 4.43Å
138I98.9Very high98.7Very high11 Ų1123 Ų236%0.05611%0.113CC..Hα-helixtrans-74.2-36.5-179.4-51.7-53.5000111.6L73 A76 A135 F136 Y140 D141 V142 P356L73-I138 HydrophobicContact CD1-CB 4.13Å; L73-I138 HydrophobicContact CD1-CG1 3.57Å; A76-I138 HydrophobicContact CB-CB 4.18Å; A76-I138 HydrophobicContact CB-CG2 3.74Å; A135-I138 PolarHBondContact O-N 3.1Å; A135-I138 VanDerWaalsContact O-N 3.13Å; F136-I138 PolarHBondContact O-N 3.47Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 3.17Å; I138-D141 PolarHBondContact O-N 3.21Å; I138-V142 WeakPolarHBondContact O-CG2 3.2Å; I138-V142 PolarHBondContact O-N 3.4Å; I138-V142 VanDerWaalsContact O-N 3.16Å; I138-P356 HydrophobicContact CG2-CG 4.11Å
139V98.9Very high98.7Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-61.2-44173.9179.30000110.4L72 A76 L90 I94 A135 F136 D141 V142 T143 W148L72-V139 HydrophobicContact CD1-CG2 3.67Å; L72-V139 HydrophobicContact CD2-CG2 3.88Å; L72-V139 HydrophobicContact CG-CG2 3.55Å; A76-V139 HydrophobicContact CB-CG2 3.84Å; L90-V139 HydrophobicContact CD1-CG2 4.11Å; I94-V139 HydrophobicContact CD1-CG1 3.98Å; I94-V139 HydrophobicContact CG1-CG1 4.46Å; A135-V139 VanDerWaalsContact O-CG2 3.31Å; A135-V139 WeakPolarHBondContact O-CG2 3.3Å; A135-V139 PolarHBondContact O-N 3.14Å; F136-V139 PolarHBondContact O-N 2.98Å; V139-D141 VanDerWaalsContact C-N 3.32Å; V139-D141 PolarHBondContact O-N 3.07Å; V139-V142 PolarHBondContact O-N 2.78Å; V139-T143 HydrophobicContact CG1-CG2 4.15Å; V139-T143 WeakPolarHBondContact O-CB 3.48Å; V139-T143 VanDerWaalsContact O-CG2 3.32Å; V139-T143 WeakPolarHBondContact O-CG2 3.08Å; V139-T143 PolarHBondContact O-N 3.46Å; V139-T143 PolarHBondContact O-OG1 3.06Å; V139-W148 HydrophobicContact CB-CD2 4.28Å; V139-W148 HydrophobicContact CB-CG 4.23Å; V139-W148 HydrophobicContact CG1-CD2 3.72Å; V139-W148 HydrophobicContact CG1-CE3 4.48Å; V139-W148 HydrophobicContact CG1-CG 3.79Å; V139-W148 HydrophobicContact CG1-CZ2 4.1Å
140Y98.8Very high98.7Very high6 Ų626.3 Ų26.32%0.02413%0.131CC..Hα-helixtrans-57.1-43.8173.1163.6-92.4000112F136 L137 I138 V142 T143 H144 L149 A217 R221F136-Y140 WeakPolarHBondContact O-CB 3.37Å; F136-Y140 PolarHBondContact O-N 3.18Å; L137-Y140 WeakPolarHBondContact O-CB 3.35Å; L137-Y140 PolarHBondContact O-N 3.48Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 3.17Å; Y140-V142 VanDerWaalsContact C-N 3.26Å; Y140-V142 PolarHBondContact O-N 3.47Å; Y140-T143 PolarHBondContact O-N 3.47Å; Y140-H144 VanDerWaalsContact O-CA 3.23Å; Y140-H144 WeakPolarHBondContact O-CA 3.41Å; Y140-H144 PolarHBondContact O-N 2.85Å; Y140-H144 PolarHBondContact O-ND1 2.75Å; Y140-L149 HydrophobicContact CD2-CB 3.54Å; Y140-L149 HydrophobicContact CD2-CD2 4.42Å; Y140-L149 HydrophobicContact CE1-CD2 4.4Å; Y140-L149 HydrophobicContact CE2-CB 3.55Å; Y140-L149 HydrophobicContact CE2-CD2 3.63Å; Y140-L149 HydrophobicContact CE2-CG 4.17Å; Y140-L149 HydrophobicContact CG-CB 4.13Å; Y140-A217 HydrophobicContact CE1-CB 3.99Å; Y140-A217 PolarHBondContact OH-O 3.29Å; Y140-R221 VanDerWaalsContact CE2-NH1 3.27Å; Y140-R221 WeakPolarHBondContact OH-CD 3.19Å; Y140-R221 PolarHBondContact OH-NE 3.08Å; Y140-R221 PolarHBondContact OH-NH2 3.47Å
141D98.8Very high98.7Very high26 Ų2627 Ų2714%0.13913%0.133CC..Hα-helixtrans-64.7-30.7-179.6-73.4-31.7000112.9L137 I138 V139 P352 G353 P356L137-D141 PolarHBondContact O-N 3.3Å; I138-D141 PolarHBondContact O-N 3.21Å; V139-D141 VanDerWaalsContact C-N 3.32Å; V139-D141 PolarHBondContact O-N 3.07Å; D141-P352 HydrophobicContact CB-CB 4.31Å; D141-G353 WeakPolarHBondContact OD2-CA 3.39Å; D141-G353 PolarHBondContact OD2-N 2.57Å; D141-P356 HydrophobicContact CB-CB 4.18Å; D141-P356 HydrophobicContact CB-CG 3.69Å
142V98.7Very high98.7Very high23 Ų2326.9 Ų26.914%0.13913%0.133CC..Hα-helixtrans-100.23.6-178.5-54.30000114.5A76 V79 T80 R87 L90 I138 V139 Y140 P356A76-V142 HydrophobicContact CB-CG2 4.23Å; V79-V142 HydrophobicContact CG1-CB 4.01Å; V79-V142 HydrophobicContact CG1-CG1 4.27Å; V79-V142 HydrophobicContact CG1-CG2 4.32Å; T80-V142 HydrophobicContact CG2-CG1 3.85Å; R87-V142 PolarHBondContact NH1-O 3.13Å; R87-V142 PolarHBondContact NH2-O 3.36Å; L90-V142 HydrophobicContact CD2-CG2 3.67Å; I138-V142 WeakPolarHBondContact O-CG2 3.2Å; I138-V142 PolarHBondContact O-N 3.4Å; I138-V142 VanDerWaalsContact O-N 3.16Å; V139-V142 PolarHBondContact O-N 2.78Å; Y140-V142 VanDerWaalsContact C-N 3.26Å; Y140-V142 PolarHBondContact O-N 3.47Å; V142-P356 HydrophobicContact CG1-CG 4.37Å
143T98.6Very high98.7Very high50 Ų5028.7 Ų28.731%0.30714%0.142SC..Hα-helixtrans-131.9-29.4178.8620000113.8V139 Y140 D145V139-T143 HydrophobicContact CG1-CG2 4.15Å; V139-T143 WeakPolarHBondContact O-CB 3.48Å; V139-T143 VanDerWaalsContact O-CG2 3.32Å; V139-T143 WeakPolarHBondContact O-CG2 3.08Å; V139-T143 PolarHBondContact O-N 3.46Å; V139-T143 PolarHBondContact O-OG1 3.06Å; Y140-T143 PolarHBondContact O-N 3.47Å; T143-D145 PolarHBondContact O-N 3.26Å; T143-D145 VanDerWaalsContact O-N 3.12Å; T143-D145 PolarHBondContact OG1-N 3.45Å
144H98.1Very high98.7Very high125 Ų12533.4 Ų33.458%0.57916%0.16SC*.  trans54.113.8-166.5-64-40.1000115.7Y140 K146 R221Y140-H144 VanDerWaalsContact O-CA 3.23Å; Y140-H144 WeakPolarHBondContact O-CA 3.41Å; Y140-H144 PolarHBondContact O-N 2.85Å; Y140-H144 PolarHBondContact O-ND1 2.75Å; H144-K146 PolarHBondContact O-N 3.39Å; H144-R221 PolarHBondContact O-NH2 3.18Å
145D98.4Very high98.7Very high69 Ų6932.9 Ų32.937%0.36916%0.158SC..  trans-68114.9172.1-173.3-14.1000109.2T143 K147 W148T143-D145 PolarHBondContact O-N 3.26Å; T143-D145 VanDerWaalsContact O-N 3.12Å; T143-D145 PolarHBondContact OG1-N 3.45Å; D145-K147 PolarHBondContact O-N 2.76Å; D145-K147 VanDerWaalsContact O-N 3.14Å; D145-K147 WeakPolarHBondContact OD1-CG 3.17Å; D145-K147 PolarHBondContact OD1-N 3.11Å; D145-K147 WeakPolarHBondContact OD2-CD 3.49Å; D145-K147 WeakPolarHBondContact OD2-CE 3.18Å; D145-K147 IonicContact OD2-NZ 2.7Å; D145-W148 PolarHBondContact O-N 2.71Å
146K97.7Very high98.7Very high86 Ų8632.9 Ų32.937%0.37416%0.158SC..Hα-helixtrans-59.2-29.3-170.4-166.9-173.3162.171.90111.8H144 W148 L149 D150 E223H144-K146 PolarHBondContact O-N 3.39Å; K146-W148 PolarHBondContact O-N 3.27Å; K146-W148 VanDerWaalsContact O-N 3.09Å; K146-L149 PolarHBondContact O-N 2.89Å; K146-L149 VanDerWaalsContact O-N 3.1Å; K146-D150 WeakPolarHBondContact CE-OD1 3.21Å; K146-D150 WeakPolarHBondContact CE-OD2 3.48Å; K146-D150 WeakPolarHBondContact CG-OD2 3.31Å; K146-D150 IonicContact NZ-OD1 3.96Å; K146-D150 PolarHBondContact O-N 3.38Å; K146-E223 IonicContact NZ-OE1 3.65Å; K146-E223 IonicContact NZ-OE2 3.43Å
147K98.6Very high98.7Very high62 Ų6234 Ų3427%0.2717%0.165SC..Hα-helixtrans-54.5-34.2-178.876.5-171.5179.4176.30112.7E98 D145 D150 R151E98-K147 VanDerWaalsContact CD-NZ 3.26Å; E98-K147 WeakPolarHBondContact OE1-CE 2.98Å; E98-K147 IonicContact OE1-NZ 3.96Å; E98-K147 PolarHBondContact OE1-NZ 3.37Å; E98-K147 IonicContact OE2-NZ 3.27Å; E98-K147 PolarHBondContact OE2-NZ 3.25Å; E98-K147 VanDerWaalsContact OE2-NZ 3.1Å; D145-K147 PolarHBondContact O-N 2.76Å; D145-K147 VanDerWaalsContact O-N 3.14Å; D145-K147 WeakPolarHBondContact OD1-CG 3.17Å; D145-K147 PolarHBondContact OD1-N 3.11Å; D145-K147 WeakPolarHBondContact OD2-CD 3.49Å; D145-K147 WeakPolarHBondContact OD2-CE 3.18Å; D145-K147 IonicContact OD2-NZ 2.7Å; K147-D150 PolarHBondContact O-N 3.05Å; K147-R151 VanDerWaalsContact O-CB 3.27Å; K147-R151 WeakPolarHBondContact O-CB 3.09Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.16Å
148W98.9Very high98.7Very high2 Ų234.3 Ų34.31%0.00817%0.168CC..Hα-helixtrans-68.7-42.1-178.7-61.9114.8000112.5I94 E98 F136 V139 D145 K146 R151 A152I94-W148 HydrophobicContact CB-CH2 4.45Å; I94-W148 HydrophobicContact CB-CZ2 4.24Å; I94-W148 HydrophobicContact CD1-CZ2 3.92Å; I94-W148 HydrophobicContact CG1-CH2 4.07Å; I94-W148 HydrophobicContact CG1-CZ2 3.71Å; I94-W148 HydrophobicContact CG2-CH2 3.99Å; I94-W148 HydrophobicContact CG2-CZ2 3.64Å; E98-W148 HydrophobicContact CG-CH2 4.02Å; F136-W148 HydrophobicContact CB-CB 4.36Å; F136-W148 HydrophobicContact CB-CE3 4.47Å; F136-W148 WeakPolarHBondContact CB-O 3.16Å; F136-W148 AromaticContact CD1-CE3 3.5Å; F136-W148 HydrophobicContact CD1-CE3 3.5Å; F136-W148 VanDerWaalsContact CD1-CE3 3.5Å; F136-W148 AromaticContact CD1-CZ3 3.74Å; F136-W148 HydrophobicContact CD1-CZ3 3.74Å; F136-W148 AromaticContact CE1-CE3 3.8Å; F136-W148 HydrophobicContact CE1-CE3 3.8Å; F136-W148 AromaticContact CE1-CZ3 3.57Å; F136-W148 HydrophobicContact CE1-CZ3 3.57Å; F136-W148 AromaticContact CG-CE3 3.93Å; F136-W148 HydrophobicContact CG-CE3 3.93Å; F136-W148 HydrophobicContact CZ-CE3 4.45Å; F136-W148 HydrophobicContact CZ-CZ3 4.24Å; V139-W148 HydrophobicContact CB-CD2 4.28Å; V139-W148 HydrophobicContact CB-CG 4.23Å; V139-W148 HydrophobicContact CG1-CD2 3.72Å; V139-W148 HydrophobicContact CG1-CE3 4.48Å; V139-W148 HydrophobicContact CG1-CG 3.79Å; V139-W148 HydrophobicContact CG1-CZ2 4.1Å; D145-W148 PolarHBondContact O-N 2.71Å; K146-W148 PolarHBondContact O-N 3.27Å; K146-W148 VanDerWaalsContact O-N 3.09Å; W148-R151 VanDerWaalsContact CZ3-NH1 3.35Å; W148-A152 WeakPolarHBondContact O-CB 3.2Å; W148-A152 PolarHBondContact O-N 3.21Å
149L98.7Very high98.7Very high0 Ų033.8 Ų33.80%017%0.165CC..Hα-helixtrans-72-38.7175.2-172.264.2000111.3L137 Y140 K146 R151 A152 I153 I214 A217 L218L137-L149 HydrophobicContact CD2-CD1 4.05Å; Y140-L149 HydrophobicContact CD2-CB 3.54Å; Y140-L149 HydrophobicContact CD2-CD2 4.42Å; Y140-L149 HydrophobicContact CE1-CD2 4.4Å; Y140-L149 HydrophobicContact CE2-CB 3.55Å; Y140-L149 HydrophobicContact CE2-CD2 3.63Å; Y140-L149 HydrophobicContact CE2-CG 4.17Å; Y140-L149 HydrophobicContact CG-CB 4.13Å; K146-L149 PolarHBondContact O-N 2.89Å; K146-L149 VanDerWaalsContact O-N 3.1Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 2.62Å; L149-A152 WeakPolarHBondContact O-CB 3.41Å; L149-A152 PolarHBondContact O-N 2.82Å; L149-I153 HydrophobicContact CG-CD1 4.07Å; L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.23Å; L149-I153 PolarHBondContact O-N 3.1Å; L149-I214 HydrophobicContact CD1-CG1 4.48Å; L149-I214 HydrophobicContact CD1-CG2 4.11Å; L149-A217 HydrophobicContact CD1-CB 4.08Å; L149-A217 HydrophobicContact CD2-CB 4.23Å; L149-L218 HydrophobicContact CD2-CD2 3.81Å; L149-L218 HydrophobicContact CD2-CG 4.2Å
150D98.6Very high98.7Very high69 Ų6933.8 Ų33.837%0.36917%0.165SC..Hα-helixtrans-61.7-42.7176.3-66-18.2000111.2K146 K147 I153 R154K146-D150 WeakPolarHBondContact CE-OD1 3.21Å; K146-D150 WeakPolarHBondContact CE-OD2 3.48Å; K146-D150 WeakPolarHBondContact CG-OD2 3.31Å; K146-D150 IonicContact NZ-OD1 3.96Å; K146-D150 PolarHBondContact O-N 3.38Å; K147-D150 PolarHBondContact O-N 3.05Å; D150-I153 PolarHBondContact O-N 3.31Å; D150-R154 WeakPolarHBondContact O-CB 2.95Å; D150-R154 PolarHBondContact O-N 2.78Å
151R98.9Very high98.7Very high14 Ų1435.8 Ų35.85%0.05317%0.174CC..Hα-helixtrans-61.8-43.8172.7-72.6176.4173.5156.3-1.6111.8E98 W102 E104 F136 K147 W148 L149 I153 R154 V155E98-R151 IonicContact OE1-CZ 2.68Å; E98-R151 VanDerWaalsContact OE1-CZ 3.32Å; E98-R151 IonicContact OE1-NH1 2.68Å; E98-R151 PolarHBondContact OE1-NH1 3.3Å; E98-R151 IonicContact OE1-NH2 3.54Å; E98-R151 PolarHBondContact OE1-NH2 3.12Å; W102-R151 VanDerWaalsContact CD1-CZ 3.46Å; W102-R151 HydrophobicContact CD2-CG 4.1Å; W102-R151 HydrophobicContact CE3-CB 4.4Å; W102-R151 HydrophobicContact CE3-CG 4.12Å; W102-R151 HydrophobicContact CH2-CB 3.87Å; W102-R151 HydrophobicContact CH2-CG 3.55Å; W102-R151 HydrophobicContact CZ2-CB 4.35Å; W102-R151 HydrophobicContact CZ2-CG 3.51Å; W102-R151 HydrophobicContact CZ3-CB 3.9Å; W102-R151 HydrophobicContact CZ3-CG 3.86Å; W102-R151 VanDerWaalsContact NE1-NE 3.11Å; E104-R151 IonicContact OE1-CZ 3.29Å; E104-R151 IonicContact OE1-NH2 3.08Å; E104-R151 PolarHBondContact OE1-NH2 3.32Å; F136-R151 HydrophobicContact CD2-CB 3.73Å; F136-R151 HydrophobicContact CE2-CB 3.73Å; K147-R151 VanDerWaalsContact O-CB 3.27Å; K147-R151 WeakPolarHBondContact O-CB 3.09Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.16Å; W148-R151 VanDerWaalsContact CZ3-NH1 3.35Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 2.62Å; R151-I153 PolarHBondContact O-N 3.41Å; R151-R154 PolarHBondContact O-N 3.01Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.25Å
152A98.9Very high98.7Very high0 Ų038.5 Ų38.50%019%0.189CC..Hα-helixtrans-60.5-45.3177.500000112.2V133 F136 W148 L149 V155 A156 I214V133-A152 HydrophobicContact CG1-CB 4.17Å; V133-A152 HydrophobicContact CG2-CB 4.5Å; F136-A152 HydrophobicContact CB-CB 4.28Å; W148-A152 WeakPolarHBondContact O-CB 3.2Å; W148-A152 PolarHBondContact O-N 3.21Å; L149-A152 WeakPolarHBondContact O-CB 3.41Å; L149-A152 PolarHBondContact O-N 2.82Å; A152-V155 PolarHBondContact O-N 3.45Å; A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 3.06Å; A152-A156 VanDerWaalsContact O-N 3.08Å; A152-I214 HydrophobicContact CB-CD1 4.14Å; A152-I214 HydrophobicContact CB-CG1 4.38Å
153I98.8Very high98.7Very high38 Ų3839 Ų3920%0.19519%0.192CC..Hα-helixtrans-60.8-45.7175.2-69.1163.6000110.5L149 D150 R151 A156 S157 I214 L218 W228L149-I153 HydrophobicContact CG-CD1 4.07Å; L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.23Å; L149-I153 PolarHBondContact O-N 3.1Å; D150-I153 PolarHBondContact O-N 3.31Å; R151-I153 PolarHBondContact O-N 3.41Å; I153-A156 PolarHBondContact O-N 2.92Å; I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 2.96Å; I153-I214 HydrophobicContact CD1-CG2 4.18Å; I153-I214 HydrophobicContact CG1-CG2 3.46Å; I153-I214 VanDerWaalsContact CG1-CG2 3.46Å; I153-L218 HydrophobicContact CD1-CD1 4.18Å; I153-L218 HydrophobicContact CD1-CD2 4.23Å; I153-W228 HydrophobicContact CG2-CZ2 4.11Å
154R98.8Very high98.7Very high100 Ų10036.6 Ų36.638%0.37718%0.177SC..Hα-helixtrans-60.6-46.7179.2171.158.2-176.81720.4112.4Q107 D150 R151 S157 V158Q107-R154 HydrophobicContact CB-CG 4.2Å; Q107-R154 WeakPolarHBondContact O-CG 3.3Å; D150-R154 WeakPolarHBondContact O-CB 2.95Å; D150-R154 PolarHBondContact O-N 2.78Å; R151-R154 PolarHBondContact O-N 3.01Å; R154-S157 PolarHBondContact O-N 3.05Å; R154-S157 PolarHBondContact O-OG 2.81Å; R154-V158 PolarHBondContact O-N 3.47Å
155V98.9Very high98.7Very high0 Ų035.7 Ų35.70%017%0.169CC..Hα-helixtrans-63.7-46.21791760000110.6W102 M108 N129 V133 R151 A152 S157 V158 I159 W207W102-V155 HydrophobicContact CZ3-CG2 4.01Å; M108-V155 HydrophobicContact CE-CB 4.45Å; M108-V155 HydrophobicContact CE-CG1 4.03Å; M108-V155 HydrophobicContact CE-CG2 4.41Å; M108-V155 HydrophobicContact SD-CB 4.35Å; M108-V155 HydrophobicContact SD-CG2 4.03Å; N129-V155 HydrophobicContact CB-CG1 3.63Å; V133-V155 HydrophobicContact CG2-CB 3.76Å; V133-V155 HydrophobicContact CG2-CG1 3.76Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.25Å; A152-V155 PolarHBondContact O-N 3.45Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.44Å; V155-V158 PolarHBondContact O-N 2.79Å; V155-I159 HydrophobicContact CG1-CG1 4.25Å; V155-I159 WeakPolarHBondContact O-CG1 3.08Å; V155-I159 PolarHBondContact O-N 2.88Å; V155-W207 HydrophobicContact CG1-CH2 3.85Å
156A98.9Very high98.7Very high0 Ų038.3 Ų38.30%018%0.183CC..Hα-helixtrans-61.9-36.8177.100000112.3A152 I153 V158 I160 H161 W207 M211 I214 W228A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 3.06Å; A152-A156 VanDerWaalsContact O-N 3.08Å; I153-A156 PolarHBondContact O-N 2.92Å; A156-V158 PolarHBondContact O-N 2.92Å; A156-I160 WeakPolarHBondContact O-CA 3.4Å; A156-I160 VanDerWaalsContact O-CB 3.28Å; A156-I160 WeakPolarHBondContact O-CB 3.26Å; A156-I160 PolarHBondContact O-N 3.21Å; A156-H161 PolarHBondContact O-N 3.01Å; A156-W207 HydrophobicContact CB-CZ3 4.08Å; A156-M211 HydrophobicContact CB-CG 4.28Å; A156-I214 HydrophobicContact CB-CD1 4.16Å; A156-W228 HydrophobicContact CB-CH2 3.92Å; A156-W228 HydrophobicContact CB-CZ3 4.19Å
157S98.8Very high98.7Very high22 Ų2236.4 Ų36.415%0.15418%0.176CC..Iπ-helixtrans-64-41.6177.679.30000111.6I153 R154 V155 H161 D162I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 2.96Å; R154-S157 PolarHBondContact O-N 3.05Å; R154-S157 PolarHBondContact O-OG 2.81Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.44Å; S157-H161 CarbonylContact O-C 3.58Å; S157-H161 WeakPolarHBondContact O-CA 3.37Å; S157-H161 VanDerWaalsContact O-CB 3.24Å; S157-H161 WeakPolarHBondContact O-CB 3.14Å; S157-H161 PolarHBondContact O-N 3.14Å; S157-D162 PolarHBondContact O-N 3.36Å
158V98.7Very high98.7Very high18 Ų1839.2 Ų39.211%0.10919%0.19CC..Iπ-helixtrans-71.1-54.6179.8175.40000111.3M108 R154 V155 A156 V163M108-V158 HydrophobicContact CE-CB 3.95Å; M108-V158 HydrophobicContact CE-CG1 3.94Å; M108-V158 HydrophobicContact SD-CB 3.85Å; M108-V158 HydrophobicContact SD-CG1 4.19Å; M108-V158 HydrophobicContact SD-CG2 3.81Å; R154-V158 PolarHBondContact O-N 3.47Å; V155-V158 PolarHBondContact O-N 2.79Å; A156-V158 PolarHBondContact O-N 2.92Å; V158-V163 WeakPolarHBondContact O-CG2 3.48Å; V158-V163 PolarHBondContact O-N 2.9Å
159I98.8Very high98.7Very high0 Ų041.1 Ų41.10%020%0.198CC..Iπ-helixtrans-70.2-40.8-172.6-57.4-60.5000111.5M108 V155 A164 V171 F175 W179 W207M108-I159 HydrophobicContact CE-CD1 3.83Å; M108-I159 HydrophobicContact CE-CG1 3.95Å; V155-I159 HydrophobicContact CG1-CG1 4.25Å; V155-I159 WeakPolarHBondContact O-CG1 3.08Å; V155-I159 PolarHBondContact O-N 2.88Å; I159-A164 WeakPolarHBondContact O-CB 3.45Å; I159-A164 PolarHBondContact O-N 2.88Å; I159-V171 HydrophobicContact CG2-CG1 3.75Å; I159-F175 HydrophobicContact CD1-CE2 3.92Å; I159-F175 HydrophobicContact CD1-CZ 4.1Å; I159-W179 HydrophobicContact CD1-CE3 4.44Å; I159-W179 HydrophobicContact CD1-CH2 4.45Å; I159-W179 HydrophobicContact CD1-CZ3 3.68Å; I159-W207 HydrophobicContact CB-CH2 4.37Å; I159-W207 HydrophobicContact CB-CZ2 4.1Å; I159-W207 HydrophobicContact CG1-CH2 4.43Å; I159-W207 HydrophobicContact CG1-CZ2 4.23Å; I159-W207 HydrophobicContact CG2-CZ2 3.85Å
160I98.9Very high98.7Very high0 Ų042.3 Ų42.30%020%0.202CC..Iπ-helixtrans-100.6-59.6-172.2-52.5-57.2000111.6A156 D162 A164 R165 V171 W207 M211 D232 L236A156-I160 WeakPolarHBondContact O-CA 3.4Å; A156-I160 VanDerWaalsContact O-CB 3.28Å; A156-I160 WeakPolarHBondContact O-CB 3.26Å; A156-I160 PolarHBondContact O-N 3.21Å; I160-D162 PolarHBondContact O-N 2.81Å; I160-A164 HydrophobicContact CD1-CB 4.19Å; I160-A164 HydrophobicContact CG2-CB 4.49Å; I160-A164 PolarHBondContact O-N 3.1Å; I160-R165 WeakPolarHBondContact O-CB 3.37Å; I160-R165 PolarHBondContact O-N 2.85Å; I160-V171 HydrophobicContact CD1-CG1 4.18Å; I160-V171 HydrophobicContact CD1-CG2 3.73Å; I160-W207 HydrophobicContact CD1-CB 3.87Å; I160-W207 HydrophobicContact CD1-CD2 3.67Å; I160-W207 HydrophobicContact CD1-CE3 4.18Å; I160-W207 HydrophobicContact CD1-CG 3.52Å; I160-W207 HydrophobicContact CG1-CB 4.28Å; I160-W207 HydrophobicContact CG1-CD2 3.81Å; I160-W207 HydrophobicContact CG1-CE3 3.76Å; I160-W207 HydrophobicContact CG1-CG 4.06Å; I160-W207 HydrophobicContact CG1-CZ3 4.39Å; I160-M211 HydrophobicContact CB-SD 4Å; I160-M211 HydrophobicContact CG1-SD 3.96Å; I160-M211 HydrophobicContact CG2-CE 4.14Å; I160-M211 HydrophobicContact CG2-SD 3.72Å; I160-D232 HydrophobicContact CG2-CB 3.84Å; I160-L236 HydrophobicContact CD1-CD1 4.2Å; I160-L236 HydrophobicContact CD1-CD2 4.27Å; I160-L236 HydrophobicContact CG1-CD1 4.44Å; I160-L236 HydrophobicContact CG2-CD1 3.75Å; I160-L236 HydrophobicContact CG2-CD2 4.47Å; I160-L236 HydrophobicContact CG2-CG 4.28Å
161H98.8Very high98.7Very high48 Ų4839 Ų3922%0.22219%0.185CC..Iπ-helixtrans-66.9-39.5-170.5-166.964000112.6A156 S157 R165 W228 D232A156-H161 PolarHBondContact O-N 3.01Å; S157-H161 CarbonylContact O-C 3.58Å; S157-H161 WeakPolarHBondContact O-CA 3.37Å; S157-H161 VanDerWaalsContact O-CB 3.24Å; S157-H161 WeakPolarHBondContact O-CB 3.14Å; S157-H161 PolarHBondContact O-N 3.14Å; H161-R165 VanDerWaalsContact O-CB 3.26Å; H161-R165 WeakPolarHBondContact O-CB 3.35Å; H161-W228 HydrophobicContact CB-CD2 4.34Å; H161-W228 HydrophobicContact CB-CE3 3.9Å; H161-W228 HydrophobicContact CB-CZ3 4.11Å; H161-W228 WeakPolarHBondContact CE1-CB 3.37Å; H161-W228 AromaticContact CE1-CG 3.89Å; H161-W228 WeakPolarHBondContact ND1-CB 3.37Å; H161-W228 AromaticContact ND1-CD2 3.96Å; H161-W228 AromaticContact ND1-CE3 3.97Å; H161-W228 AromaticContact ND1-CG 3.74Å; H161-D232 WeakPolarHBondContact CA-OD2 3.19Å; H161-D232 IonicContact CE1-OD2 2.8Å; H161-D232 IonicContact CG-OD2 2.68Å; H161-D232 IonicContact ND1-OD1 3.59Å; H161-D232 IonicContact ND1-OD2 3.54Å; H161-D232 PolarHBondContact ND1-OD2 3.14Å
162D98.5Very high98.7Very high82 Ų8238.7 Ų38.744%0.43918%0.184SC..Iπ-helixtrans-88.2-47.6-178.5-65.1-20.5000112S157 I160 N166S157-D162 PolarHBondContact O-N 3.36Å; I160-D162 PolarHBondContact O-N 2.81Å; D162-N166 PolarHBondContact O-ND2 3.14Å
163V98.6Very high98.6Very high34 Ų3438.7 Ų38.721%0.20618%0.184CC..Iπ-helixtrans-92.2-63.7-173.9-179.40000112.3V158 R165 N166 N167 N172 F175 P181V158-V163 WeakPolarHBondContact O-CG2 3.48Å; V158-V163 PolarHBondContact O-N 2.9Å; V163-R165 PolarHBondContact O-N 3.25Å; V163-N166 PolarHBondContact O-N 2.94Å; V163-N167 PolarHBondContact O-N 3.12Å; V163-N172 HydrophobicContact CG1-CB 3.93Å; V163-F175 HydrophobicContact CG1-CE1 4.29Å; V163-F175 HydrophobicContact CG1-CZ 4.3Å; V163-F175 HydrophobicContact CG2-CE1 4.16Å; V163-F175 HydrophobicContact CG2-CZ 4.49Å; V163-P181 HydrophobicContact CG1-CG 4.43Å
164A98.7Very high98.6Very high0 Ų037 Ų370%018%0.175CC..Iπ-helixtrans-61.9-42.7-172.700000112.5I159 I160 N166 N167 H168 Y169 V171I159-A164 WeakPolarHBondContact O-CB 3.45Å; I159-A164 PolarHBondContact O-N 2.88Å; I160-A164 HydrophobicContact CD1-CB 4.19Å; I160-A164 HydrophobicContact CG2-CB 4.49Å; I160-A164 PolarHBondContact O-N 3.1Å; A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 3.48Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 VanDerWaalsContact O-C 3.26Å; A164-N167 WeakPolarHBondContact O-CA 3.13Å; A164-N167 PolarHBondContact O-N 2.81Å; A164-H168 PolarHBondContact O-N 3.4Å; A164-Y169 WeakPolarHBondContact O-CA 3.17Å; A164-Y169 PolarHBondContact O-N 2.68Å; A164-V171 HydrophobicContact CB-CB 4.34Å; A164-V171 HydrophobicContact CB-CG2 3.89Å
165R98.6Very high98.6Very high106 Ų10632.2 Ų32.240%0.416%0.157SC..G310 helixtrans-56.9-40.6179.5-166.7176.896.690.32.4112.2I160 H161 V163 N167 Y169 D232I160-R165 WeakPolarHBondContact O-CB 3.37Å; I160-R165 PolarHBondContact O-N 2.85Å; H161-R165 VanDerWaalsContact O-CB 3.26Å; H161-R165 WeakPolarHBondContact O-CB 3.35Å; V163-R165 PolarHBondContact O-N 3.25Å; R165-N167 PolarHBondContact O-N 2.97Å; R165-Y169 HydrophobicContact CB-CE1 4Å; R165-Y169 HydrophobicContact CG-CE1 3.82Å; R165-D232 WeakPolarHBondContact CD-OD1 3.28Å
166N98.2Very high98.6Very high124 Ų12434 Ų3466%0.66317%0.167SC*.G310 helixtrans-79.8-3176.5-70.5-52.2000113.6D162 V163 A164D162-N166 PolarHBondContact O-ND2 3.14Å; V163-N166 PolarHBondContact O-N 2.94Å; A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 3.48Å
167N97.8Very high98.6Very high45 Ų4536 Ų3624%0.24118%0.179CC..G310 helixtrans-117.338.4175.2-167.830.7000111.7V163 A164 R165 Y169 R170V163-N167 PolarHBondContact O-N 3.12Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 VanDerWaalsContact O-C 3.26Å; A164-N167 WeakPolarHBondContact O-CA 3.13Å; A164-N167 PolarHBondContact O-N 2.81Å; R165-N167 PolarHBondContact O-N 2.97Å; N167-Y169 PolarHBondContact O-N 2.84Å; N167-Y169 VanDerWaalsContact O-N 3.1Å; N167-R170 PolarHBondContact ND2-O 3.26Å; N167-R170 WeakPolarHBondContact O-CB 3.49Å; N167-R170 WeakPolarHBondContact O-CG 3.28Å; N167-R170 PolarHBondContact O-N 2.8Å
168H98.4Very high98.6Very high122 Ų12241.1 Ų41.157%0.56520%0.2SC*.THydrogen-bonded Turntrans54.232.4-179.5-54.3-74.5000114.4A164 R170 R242A164-H168 PolarHBondContact O-N 3.4Å; H168-R170 PolarHBondContact O-N 3.2Å; H168-R242 PolarHBondContact O-NH1 3.49Å; H168-R242 PolarHBondContact O-NH2 2.9Å
169Y98.8Very high98.5Very high42 Ų4242.2 Ų42.217%0.16520%0.203CC..THydrogen-bonded Turntrans63.118.7-174.1-61.5-79.9000115.6A164 R165 N167 V171 D232 G235 L236A164-Y169 WeakPolarHBondContact O-CA 3.17Å; A164-Y169 PolarHBondContact O-N 2.68Å; R165-Y169 HydrophobicContact CB-CE1 4Å; R165-Y169 HydrophobicContact CG-CE1 3.82Å; N167-Y169 PolarHBondContact O-N 2.84Å; N167-Y169 VanDerWaalsContact O-N 3.1Å; Y169-V171 PolarHBondContact O-N 3.47Å; Y169-D232 HydrophobicContact CE1-CB 3.88Å; Y169-D232 PolarHBondContact OH-OD1 2.88Å; Y169-G235 VanDerWaalsContact CE2-CA 3.47Å; Y169-G235 VanDerWaalsContact CG-C 3.47Å; Y169-L236 HydrophobicContact CD1-CD2 4.28Å; Y169-L236 HydrophobicContact CD1-CG 4.08Å
170R98.7Very high98.5Very high25 Ų2546.3 Ų46.39%0.09423%0.225CC..  trans-80.5102.8167.2-53.8-171.2178.5113.13.3108.5N167 H168 N172 W204 D243 W259 E260N167-R170 PolarHBondContact ND2-O 3.26Å; N167-R170 WeakPolarHBondContact O-CB 3.49Å; N167-R170 WeakPolarHBondContact O-CG 3.28Å; N167-R170 PolarHBondContact O-N 2.8Å; H168-R170 PolarHBondContact O-N 3.2Å; R170-N172 PolarHBondContact O-N 2.91Å; R170-W204 HydrophobicContact CB-CH2 3.8Å; R170-W204 HydrophobicContact CB-CZ2 3.66Å; R170-W204 HydrophobicContact CG-CH2 3.5Å; R170-W204 VanDerWaalsContact CG-CH2 3.5Å; R170-W204 HydrophobicContact CG-CZ2 3.92Å; R170-W204 HydrophobicContact CG-CZ3 4.1Å; R170-D243 IonicContact CZ-OD2 3.68Å; R170-D243 IonicContact NE-OD2 3.38Å; R170-D243 PolarHBondContact NE-OD2 3.41Å; R170-D243 IonicContact NH2-OD1 3.93Å; R170-D243 PolarHBondContact NH2-OD1 3.42Å; R170-D243 IonicContact NH2-OD2 3.71Å; R170-D243 PolarHBondContact NH2-OD2 2.96Å; R170-W259 HydrophobicContact CB-CE3 4.41Å; R170-W259 HydrophobicContact CB-CZ3 4.43Å; R170-W259 PolarHBondContact NH1-O 3.09Å; R170-E260 VanDerWaalsContact CZ-C 3.44Å; R170-E260 PolarHBondContact NH2-O 2.77Å
171V98.7Very high98.5Very high0 Ų049.4 Ų49.40%025%0.245CC..  trans-65.1125-176.6-175.50000109.6I159 I160 A164 Y169 W204 L236I159-V171 HydrophobicContact CG2-CG1 3.75Å; I160-V171 HydrophobicContact CD1-CG1 4.18Å; I160-V171 HydrophobicContact CD1-CG2 3.73Å; A164-V171 HydrophobicContact CB-CB 4.34Å; A164-V171 HydrophobicContact CB-CG2 3.89Å; Y169-V171 PolarHBondContact O-N 3.47Å; V171-W204 VanDerWaalsContact CB-CD1 3.4Å; V171-W204 HydrophobicContact CB-CG 4.25Å; V171-W204 HydrophobicContact CG2-CB 4.05Å; V171-W204 VanDerWaalsContact CG2-CD1 3.4Å; V171-W204 HydrophobicContact CG2-CG 3.79Å; V171-L236 HydrophobicContact CG2-CD2 3.54Å
172N98.6Very high98.5Very high6 Ų649.9 Ų49.93%0.03225%0.248CC..  trans-83.9126.5168.4-174.3-77.7000109.2V163 R170 H174 F175 W259V163-N172 HydrophobicContact CG1-CB 3.93Å; R170-N172 PolarHBondContact O-N 2.91Å; N172-H174 PolarHBondContact OD1-N 3.49Å; N172-H174 PolarHBondContact OD1-O 2.93Å; N172-F175 HydrophobicContact CB-CZ 4.11Å; N172-F175 WeakPolarHBondContact O-CE2 3.28Å; N172-F175 WeakPolarHBondContact O-CZ 3.09Å; N172-W259 HydrophobicContact CB-CH2 4.12Å; N172-W259 HydrophobicContact CB-CZ3 4.46Å; N172-W259 WeakPolarHBondContact ND2-CH2 3.3Å
173E98.3Very high98.4Very high1 Ų149 Ų491%0.00525%0.247CC..  trans-100.5-11.9-178.2-72.9-178.3-144.600113.8Y123 G125 G126 T200 H203Y123-E173 PolarHBondContact OH-O 3.34Å; Y123-E173 VanDerWaalsContact OH-O 3.13Å; G125-E173 CarbonylContact C-O 3.47Å; G125-E173 WeakPolarHBondContact CA-O 3.45Å; G126-E173 PolarHBondContact N-O 3.26Å; E173-T200 VanDerWaalsContact OE1-CB 3.31Å; E173-T200 WeakPolarHBondContact OE1-CB 3.4Å; E173-T200 PolarHBondContact OE1-OG1 3.49Å; E173-T200 VanDerWaalsContact OE1-OG1 3.06Å; E173-H203 VanDerWaalsContact CD-ND1 3.3Å; E173-H203 IonicContact OE1-CE1 3.86Å; E173-H203 IonicContact OE1-CG 2.83Å; E173-H203 IonicContact OE1-ND1 3.18Å; E173-H203 PolarHBondContact OE1-ND1 3.39Å; E173-H203 IonicContact OE2-CE1 3.93Å; E173-H203 IonicContact OE2-ND1 3.48Å; E173-H203 PolarHBondContact OE2-ND1 3.29Å
174H98.7Very high98.3Very high1 Ų151.8 Ų51.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-123115.8-163.4-53.2-40.5000110.2Y123 N172 P181 L182 Y185 A196Y123-H174 HydrophobicContact CE2-CB 3.9Å; Y123-H174 AromaticContact CE2-ND1 3.77Å; Y123-H174 AromaticContact CZ-ND1 3.73Å; Y123-H174 PolarHBondContact OH-ND1 2.82Å; N172-H174 PolarHBondContact OD1-N 3.49Å; N172-H174 PolarHBondContact OD1-O 2.93Å; H174-P181 CarbonylContact O-C 3.52Å; H174-L182 HydrophobicContact CB-CB 4.16Å; H174-L182 WeakPolarHBondContact O-CB 3.45Å; H174-L182 PolarHBondContact O-N 2.95Å; H174-Y185 HydrophobicContact CB-CD1 4.12Å; H174-Y185 HydrophobicContact CB-CD2 4.49Å; H174-Y185 HydrophobicContact CB-CG 3.85Å; H174-Y185 AromaticContact CD2-CD1 3.74Å; H174-Y185 AromaticContact CE1-CD1 3.98Å; H174-Y185 AromaticContact CG-CD1 3.56Å; H174-Y185 AromaticContact CG-CG 3.78Å; H174-Y185 AromaticContact ND1-CD1 3.71Å; H174-Y185 AromaticContact NE2-CD1 3.98Å; H174-A196 PolarHBondContact NE2-O 3.25Å
175F98.8Very high98.3Very high1 Ų154.6 Ų54.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-131.3153.3-177.4-55.6-99000110.9R124 I159 V163 N172 W179 N180 P181R124-F175 HydrophobicContact CB-CB 3.95Å; R124-F175 PolarHBondContact N-O 2.73Å; R124-F175 PolarHBondContact O-N 3.06Å; I159-F175 HydrophobicContact CD1-CE2 3.92Å; I159-F175 HydrophobicContact CD1-CZ 4.1Å; V163-F175 HydrophobicContact CG1-CE1 4.29Å; V163-F175 HydrophobicContact CG1-CZ 4.3Å; V163-F175 HydrophobicContact CG2-CE1 4.16Å; V163-F175 HydrophobicContact CG2-CZ 4.49Å; N172-F175 HydrophobicContact CB-CZ 4.11Å; N172-F175 WeakPolarHBondContact O-CE2 3.28Å; N172-F175 WeakPolarHBondContact O-CZ 3.09Å; F175-W179 HydrophobicContact CB-CE3 4.14Å; F175-W179 HydrophobicContact CD1-CE3 4.14Å; F175-W179 WeakPolarHBondContact CD1-O 3.35Å; F175-W179 HydrophobicContact CD2-CE3 4.08Å; F175-W179 AromaticContact CD2-CZ3 3.95Å; F175-W179 HydrophobicContact CD2-CZ3 3.95Å; F175-W179 HydrophobicContact CE2-CZ3 4.29Å; F175-W179 AromaticContact CG-CE3 3.88Å; F175-W179 HydrophobicContact CG-CE3 3.88Å; F175-W179 HydrophobicContact CG-CZ3 4.22Å; F175-N180 VanDerWaalsContact CA-O 3.23Å; F175-N180 WeakPolarHBondContact CA-O 3.22Å; F175-P181 HydrophobicContact CD1-CG 4.19Å; F175-P181 HydrophobicContact CE1-CG 3.95Å
176D98.6Very high98.2Very high37 Ų3751.7 Ų51.720%0.19827%0.265CS..  trans-75.2-178.7166.968.616.8000111.5R124 Q178 W179 N180 L182R124-D176 WeakPolarHBondContact CG-O 3.25Å; D176-Q178 PolarHBondContact O-N 3.42Å; D176-Q178 VanDerWaalsContact O-N 3.15Å; D176-Q178 VanDerWaalsContact OD1-C 3.25Å; D176-Q178 VanDerWaalsContact OD1-CA 3.29Å; D176-Q178 WeakPolarHBondContact OD1-CA 3.25Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.41Å; D176-Q178 PolarHBondContact OD1-N 3.2Å; D176-W179 PolarHBondContact O-N 3.26Å; D176-W179 VanDerWaalsContact O-N 3.11Å; D176-W179 PolarHBondContact OD1-N 3.41Å; D176-N180 PolarHBondContact N-O 3.15Å; D176-N180 PolarHBondContact OD1-N 3.49Å; D176-N180 PolarHBondContact OD1-ND2 3.47Å; D176-N180 WeakPolarHBondContact OD2-CB 3.48Å; D176-N180 PolarHBondContact OD2-ND2 2.92Å; D176-L182 HydrophobicContact CB-CD1 4.38Å; D176-L182 HydrophobicContact CB-CD2 4.3Å; D176-L182 HydrophobicContact CB-CG 4.49Å
177T98.2Very high98.1Very high43 Ų4351.2 Ų51.226%0.26426%0.256SS..THydrogen-bonded Turntrans-67.4-8.1178.450.30000114.6E122E122-T177 HydrophobicContact CB-CG2 4.14Å; E122-T177 HydrophobicContact CG-CG2 4.48Å
178Q98.4Very high98.1Very high128 Ų12857 Ų5760%0.59829%0.288SS*.THydrogen-bonded Turntrans-106.711.4176.8-70.769.242.600111.4D176 N180D176-Q178 PolarHBondContact O-N 3.42Å; D176-Q178 VanDerWaalsContact O-N 3.15Å; D176-Q178 VanDerWaalsContact OD1-C 3.25Å; D176-Q178 VanDerWaalsContact OD1-CA 3.29Å; D176-Q178 WeakPolarHBondContact OD1-CA 3.25Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.41Å; D176-Q178 PolarHBondContact OD1-N 3.2Å; Q178-N180 VanDerWaalsContact C-N 3.27Å; Q178-N180 WeakPolarHBondContact CB-ND2 3.33Å; Q178-N180 PolarHBondContact O-N 2.95Å
179W98.5Very high98Very high42 Ų4255 Ų5516%0.15928%0.281CS..  trans62.826.6-178.3-71.392.2000114.3E106 M108 R124 I159 F175 D176E106-W179 PolarHBondContact OE2-NE1 3.28Å; M108-W179 HydrophobicContact CB-CH2 3.99Å; M108-W179 HydrophobicContact CB-CZ2 3.24Å; M108-W179 HydrophobicContact CE-CE3 4.29Å; M108-W179 HydrophobicContact CE-CH2 3.41Å; M108-W179 VanDerWaalsContact CE-CH2 3.41Å; M108-W179 HydrophobicContact CE-CZ2 3.89Å; M108-W179 HydrophobicContact CE-CZ3 3.66Å; M108-W179 HydrophobicContact CG-CD2 4.45Å; M108-W179 HydrophobicContact CG-CH2 4.27Å; M108-W179 HydrophobicContact CG-CZ2 3.73Å; R124-W179 HydrophobicContact CB-CD2 4.15Å; R124-W179 HydrophobicContact CB-CE3 4.17Å; R124-W179 HydrophobicContact CB-CH2 3.8Å; R124-W179 HydrophobicContact CB-CZ2 3.74Å; R124-W179 HydrophobicContact CB-CZ3 4Å; R124-W179 HydrophobicContact CG-CD2 4.28Å; R124-W179 HydrophobicContact CG-CH2 4.42Å; R124-W179 HydrophobicContact CG-CZ2 3.84Å; I159-W179 HydrophobicContact CD1-CE3 4.44Å; I159-W179 HydrophobicContact CD1-CH2 4.45Å; I159-W179 HydrophobicContact CD1-CZ3 3.68Å; F175-W179 HydrophobicContact CB-CE3 4.14Å; F175-W179 HydrophobicContact CD1-CE3 4.14Å; F175-W179 WeakPolarHBondContact CD1-O 3.35Å; F175-W179 HydrophobicContact CD2-CE3 4.08Å; F175-W179 AromaticContact CD2-CZ3 3.95Å; F175-W179 HydrophobicContact CD2-CZ3 3.95Å; F175-W179 HydrophobicContact CE2-CZ3 4.29Å; F175-W179 AromaticContact CG-CE3 3.88Å; F175-W179 HydrophobicContact CG-CE3 3.88Å; F175-W179 HydrophobicContact CG-CZ3 4.22Å; D176-W179 PolarHBondContact O-N 3.26Å; D176-W179 VanDerWaalsContact O-N 3.11Å; D176-W179 PolarHBondContact OD1-N 3.41Å
180N98.4Very high97.8Very high86 Ų8655 Ų5546%0.4629%0.286SS..  trans-85133.5169.5-52.3-66.9000110.6F175 D176 Q178F175-N180 VanDerWaalsContact CA-O 3.23Å; F175-N180 WeakPolarHBondContact CA-O 3.22Å; D176-N180 PolarHBondContact N-O 3.15Å; D176-N180 PolarHBondContact OD1-N 3.49Å; D176-N180 PolarHBondContact OD1-ND2 3.47Å; D176-N180 WeakPolarHBondContact OD2-CB 3.48Å; D176-N180 PolarHBondContact OD2-ND2 2.92Å; Q178-N180 VanDerWaalsContact C-N 3.27Å; Q178-N180 WeakPolarHBondContact CB-ND2 3.33Å; Q178-N180 PolarHBondContact O-N 2.95Å
181P98.3Very high97.6Very high64 Ų6455 Ų5542%0.41629%0.292SS..BIsolated β-bridgetrans-56.8138.7175.8-27.735.4000113.8V163 H174 F175 P183V163-P181 HydrophobicContact CG1-CG 4.43Å; H174-P181 CarbonylContact O-C 3.52Å; F175-P181 HydrophobicContact CD1-CG 4.19Å; F175-P181 HydrophobicContact CE1-CG 3.95Å; P181-P183 VanDerWaalsContact O-CD 3.25Å; P181-P183 WeakPolarHBondContact O-CD 3.4Å
182L98.4Very high97.4Very high58 Ų5858.1 Ų58.130%0.30431%0.306SS..  trans-111.881.1175.7-62.2177.7000109.8H174 D176 D184 Y185H174-L182 HydrophobicContact CB-CB 4.16Å; H174-L182 WeakPolarHBondContact O-CB 3.45Å; H174-L182 PolarHBondContact O-N 2.95Å; D176-L182 HydrophobicContact CB-CD1 4.38Å; D176-L182 HydrophobicContact CB-CD2 4.3Å; D176-L182 HydrophobicContact CB-CG 4.49Å; L182-D184 VanDerWaalsContact C-N 3.27Å; L182-D184 PolarHBondContact O-N 3.38Å; L182-Y185 HydrophobicContact CD1-CD2 4.16Å; L182-Y185 WeakPolarHBondContact O-CB 3.33Å; L182-Y185 PolarHBondContact O-N 3.49Å; L182-Y185 VanDerWaalsContact O-N 3.17Å
183P96.2Very high97Very high63 Ų6362.9 Ų62.941%0.40932%0.324SS..THydrogen-bonded Turntrans-65.2-24.4-169.625.2-35.4000114.7P181 F197 W259P181-P183 VanDerWaalsContact O-CD 3.25Å; P181-P183 WeakPolarHBondContact O-CD 3.4Å; P183-F197 WeakPolarHBondContact O-CE2 3.36Å; P183-W259 PolarHBondContact O-NE1 3.38Å
184D97.4Very high96.7Very high94 Ų9465.6 Ų65.650%0.50334%0.335SS..THydrogen-bonded Turntrans-988.2179.7-73.3-52.4000113.4L182 N186 K187L182-D184 VanDerWaalsContact C-N 3.27Å; L182-D184 PolarHBondContact O-N 3.38Å; D184-N186 PolarHBondContact O-N 2.85Å; D184-K187 HydrophobicContact CB-CD 4.5Å; D184-K187 WeakPolarHBondContact O-CB 3.35Å; D184-K187 PolarHBondContact O-N 3.1Å; D184-K187 VanDerWaalsContact O-N 3.16Å; D184-K187 IonicContact OD1-NZ 3.86Å; D184-K187 PolarHBondContact OD1-NZ 2.68Å
185Y98.1Very high96.6Very high59 Ų5966.8 Ų66.823%0.23134%0.34CS..THydrogen-bonded Turntrans-58.5131.2179.5-169.9-87.7000110.8Y123 H174 L182 K187 R195Y123-Y185 HydrophobicContact CD2-CD2 4.19Å; Y123-Y185 HydrophobicContact CD2-CE1 4.43Å; Y123-Y185 AromaticContact CD2-CE2 3.55Å; Y123-Y185 HydrophobicContact CD2-CE2 3.55Å; Y123-Y185 AromaticContact CD2-CZ 3.69Å; Y123-Y185 HydrophobicContact CE2-CD1 4.26Å; Y123-Y185 HydrophobicContact CE2-CD2 4.16Å; Y123-Y185 AromaticContact CE2-CE1 3.86Å; Y123-Y185 HydrophobicContact CE2-CE1 3.86Å; Y123-Y185 AromaticContact CE2-CE2 3.75Å; Y123-Y185 HydrophobicContact CE2-CE2 3.75Å; Y123-Y185 HydrophobicContact CE2-CG 4.4Å; Y123-Y185 AromaticContact CE2-CZ 3.58Å; H174-Y185 HydrophobicContact CB-CD1 4.12Å; H174-Y185 HydrophobicContact CB-CD2 4.49Å; H174-Y185 HydrophobicContact CB-CG 3.85Å; H174-Y185 AromaticContact CD2-CD1 3.74Å; H174-Y185 AromaticContact CE1-CD1 3.98Å; H174-Y185 AromaticContact CG-CD1 3.56Å; H174-Y185 AromaticContact CG-CG 3.78Å; H174-Y185 AromaticContact ND1-CD1 3.71Å; H174-Y185 AromaticContact NE2-CD1 3.98Å; L182-Y185 HydrophobicContact CD1-CD2 4.16Å; L182-Y185 WeakPolarHBondContact O-CB 3.33Å; L182-Y185 PolarHBondContact O-N 3.49Å; L182-Y185 VanDerWaalsContact O-N 3.17Å; Y185-K187 PolarHBondContact O-N 2.68Å; Y185-R195 HydrophobicContact CE1-CB 4.12Å; Y185-R195 PolarHBondContact OH-NH1 3.47Å; Y185-R195 VanDerWaalsContact OH-NH1 3.11Å
186N97.5Very high96.4Very high45 Ų4566.8 Ų66.824%0.24134%0.34CS..THydrogen-bonded Turntrans56.524.1-176.5-81.1-19.1000116.4D184 D188 N189 R195D184-N186 PolarHBondContact O-N 2.85Å; N186-D188 PolarHBondContact O-N 3.31Å; N186-D188 VanDerWaalsContact O-N 3.14Å; N186-N189 CarbonylContact O-C 3.43Å; N186-N189 WeakPolarHBondContact O-CA 3.47Å; N186-N189 PolarHBondContact O-N 3.07Å; N186-R195 PolarHBondContact ND2-O 3.39Å
187K96.3Very high96.4Very high113 Ų11366 Ų6649%0.49134%0.335SS..THydrogen-bonded Turntrans-51.7-36.9174.3-168.6176.7-160.3153.50114.1D184 Y185 N189 F197D184-K187 HydrophobicContact CB-CD 4.5Å; D184-K187 WeakPolarHBondContact O-CB 3.35Å; D184-K187 PolarHBondContact O-N 3.1Å; D184-K187 VanDerWaalsContact O-N 3.16Å; D184-K187 IonicContact OD1-NZ 3.86Å; D184-K187 PolarHBondContact OD1-NZ 2.68Å; Y185-K187 PolarHBondContact O-N 2.68Å; K187-N189 VanDerWaalsContact C-N 3.33Å; K187-F197 HydrophobicContact CB-CD2 3.83Å; K187-F197 HydrophobicContact CB-CE2 4.06Å; K187-F197 HydrophobicContact CD-CE2 4.44Å; K187-F197 HydrophobicContact CG-CD2 4.15Å; K187-F197 HydrophobicContact CG-CE2 3.98Å; K187-F197 HydrophobicContact CG-CZ 4.39Å
188D96.7Very high96.4Very high168 Ų16864 Ų6490%0.89832%0.322SS*.THydrogen-bonded Turntrans-84.9-4.2177.2-61.3-35.6000113.7N186N186-D188 PolarHBondContact O-N 3.31Å; N186-D188 VanDerWaalsContact O-N 3.14Å
189N96.2Very high96.3Very high78 Ų7857.9 Ų57.942%0.41729%0.294SS..SBendtrans-135.459.4174.1-171.416000111.1N186 K187 A191 H192N186-N189 CarbonylContact O-C 3.43Å; N186-N189 WeakPolarHBondContact O-CA 3.47Å; N186-N189 PolarHBondContact O-N 3.07Å; K187-N189 VanDerWaalsContact C-N 3.33Å; N189-A191 PolarHBondContact O-N 2.66Å; N189-A191 VanDerWaalsContact O-N 3.11Å; N189-H192 PolarHBondContact O-N 3.15Å
190P94.7Very high96.3Very high42 Ų4255.9 Ų55.927%0.27329%0.286SS..THydrogen-bonded Turntrans-69.5-16.9-164.728.8-37.1000114A196 F197 V264 V265P190-A196 WeakPolarHBondContact O-CB 3.49Å; P190-F197 HydrophobicContact CB-CB 3.79Å; P190-F197 PolarHBondContact O-N 3.24Å; P190-V264 HydrophobicContact CB-CG1 3.94Å; P190-V265 HydrophobicContact CB-CG2 4.42Å
191A94.6Very high96.4Very high26 Ų2651.8 Ų51.822%0.21526%0.264CS..THydrogen-bonded Turntrans-99.619.3-178.900000113.2N189 R193 V265 V329N189-A191 PolarHBondContact O-N 2.66Å; N189-A191 VanDerWaalsContact O-N 3.11Å; A191-R193 PolarHBondContact O-N 3.05Å; A191-V265 HydrophobicContact CB-CG1 4.44Å; A191-V265 HydrophobicContact CB-CG2 3.98Å; A191-V329 HydrophobicContact CB-CG2 4.29Å
192H94.1Very high96.4Very high65 Ų6548.8 Ų48.830%0.30125%0.245SC..  trans-60.7124.2178.7-173.6-88.9000111.7N189 F194 R195 A196N189-H192 PolarHBondContact O-N 3.15Å; H192-F194 PolarHBondContact ND1-N 3.15Å; H192-F194 PolarHBondContact O-N 3.34Å; H192-R195 PolarHBondContact ND1-N 3.15Å; H192-R195 PolarHBondContact O-N 2.91Å; H192-A196 WeakPolarHBondContact O-CB 3.39Å; H192-A196 PolarHBondContact O-N 3.43Å
193R91.7Very high96.4Very high107 Ų10746.5 Ų46.540%0.40423%0.233SC..THydrogen-bonded Turntrans-51.4-29.7-170.5-70.7175-179.3176-1.9116.3A191 Y255 V329 W330A191-R193 PolarHBondContact O-N 3.05Å; R193-Y255 PolarHBondContact O-OH 3.21Å; R193-V329 HydrophobicContact CG-CG1 4.26Å; R193-V329 VanDerWaalsContact CG-O 3.24Å; R193-V329 WeakPolarHBondContact CG-O 3.45Å; R193-V329 PolarHBondContact NE-O 2.99Å; R193-W330 HydrophobicContact CB-CH2 3.99Å; R193-W330 HydrophobicContact CB-CZ2 3.83Å; R193-W330 HydrophobicContact CB-CZ3 4.49Å; R193-W330 HydrophobicContact CG-CD2 4.2Å; R193-W330 HydrophobicContact CG-CE3 4.32Å; R193-W330 HydrophobicContact CG-CH2 4.33Å; R193-W330 HydrophobicContact CG-CZ2 4.17Å; R193-W330 HydrophobicContact CG-CZ3 4.4Å
194F91.5Very high96.5Very high58 Ų5843.5 Ų43.525%0.25421%0.213SC..THydrogen-bonded Turntrans-124.9-9-174.3-61-75.3000114.5W6 Y66 N127 H192 W330W6-F194 HydrophobicContact CZ2-CZ 4.24Å; Y66-F194 HydrophobicContact CE1-CD1 4.13Å; Y66-F194 AromaticContact CE1-CE1 3.88Å; Y66-F194 HydrophobicContact CE1-CE1 3.88Å; Y66-F194 HydrophobicContact CE2-CD1 4.34Å; Y66-F194 AromaticContact CZ-CD1 3.94Å; Y66-F194 AromaticContact CZ-CE1 3.97Å; N127-F194 PolarHBondContact ND2-O 3.41Å; H192-F194 PolarHBondContact ND1-N 3.15Å; H192-F194 PolarHBondContact O-N 3.34Å; F194-W330 AromaticContact CE1-CH2 3.95Å; F194-W330 HydrophobicContact CE1-CH2 3.95Å; F194-W330 HydrophobicContact CE2-CH2 4.27Å; F194-W330 AromaticContact CZ-CH2 3.69Å; F194-W330 HydrophobicContact CZ-CH2 3.69Å; F194-W330 HydrophobicContact CZ-CZ3 4.37Å
195R96.1Very high96.6Very high26 Ų2639 Ų3910%0.09819%0.189CC..SBendtrans-149.753.5-172.3-59.6-172.5-172.7167.65.2110.2E111 E121 Y185 N186 H192E111-R195 VanDerWaalsContact CD-NH2 3.29Å; E111-R195 IonicContact OE1-CZ 3.74Å; E111-R195 VanDerWaalsContact OE1-CZ 3.31Å; E111-R195 IonicContact OE1-NE 3.64Å; E111-R195 PolarHBondContact OE1-NE 3.41Å; E111-R195 IonicContact OE1-NH2 3.98Å; E111-R195 PolarHBondContact OE1-NH2 3.24Å; E121-R195 IonicContact OE1-CZ 2.75Å; E121-R195 IonicContact OE1-NH1 3.62Å; E121-R195 PolarHBondContact OE1-NH1 3.13Å; E121-R195 IonicContact OE1-NH2 3.98Å; E121-R195 PolarHBondContact OE1-NH2 3.25Å; E121-R195 IonicContact OE2-CZ 2.7Å; E121-R195 IonicContact OE2-NH1 3.7Å; E121-R195 IonicContact OE2-NH2 2.8Å; E121-R195 PolarHBondContact OE2-NH2 3.09Å; Y185-R195 HydrophobicContact CE1-CB 4.12Å; Y185-R195 PolarHBondContact OH-NH1 3.47Å; Y185-R195 VanDerWaalsContact OH-NH1 3.11Å; N186-R195 PolarHBondContact ND2-O 3.39Å; H192-R195 PolarHBondContact ND1-N 3.15Å; H192-R195 PolarHBondContact O-N 2.91Å
196A95.5Very high96.6Very high0 Ų036.2 Ų36.20%018%0.178CC..  trans-70.5151.4-17300000111.3H174 P190 H192 Y255 T256H174-A196 PolarHBondContact NE2-O 3.25Å; P190-A196 WeakPolarHBondContact O-CB 3.49Å; H192-A196 WeakPolarHBondContact O-CB 3.39Å; H192-A196 PolarHBondContact O-N 3.43Å; A196-Y255 HydrophobicContact CB-CE1 3.97Å; A196-T256 HydrophobicContact CB-CG2 3.46Å; A196-T256 VanDerWaalsContact CB-CG2 3.46Å
197F97.5Very high96.7Very high21 Ų2134.1 Ų34.19%0.09217%0.167CC..SBendtrans-63.8143.3177.4166.1-100.8000111.6P183 K187 P190 D258 V264P183-F197 WeakPolarHBondContact O-CE2 3.36Å; K187-F197 HydrophobicContact CB-CD2 3.83Å; K187-F197 HydrophobicContact CB-CE2 4.06Å; K187-F197 HydrophobicContact CD-CE2 4.44Å; K187-F197 HydrophobicContact CG-CD2 4.15Å; K187-F197 HydrophobicContact CG-CE2 3.98Å; K187-F197 HydrophobicContact CG-CZ 4.39Å; P190-F197 HydrophobicContact CB-CB 3.79Å; P190-F197 PolarHBondContact O-N 3.24Å; F197-D258 HydrophobicContact CE1-CB 4.34Å; F197-V264 HydrophobicContact CD1-CG1 4.24Å; F197-V264 HydrophobicContact CD1-CG2 4.23Å; F197-V264 HydrophobicContact CE1-CG2 4.13Å
198G97.6Very high96.8Very high0 Ų028.8 Ų28.80%014%0.143CC..SBendtrans80.3-138.7176.900000111.4V257 W259G198-V257 WeakPolarHBondContact CA-O 3.45Å; G198-W259 VanDerWaalsContact O-CH2 3.29Å; G198-W259 WeakPolarHBondContact O-CH2 3.38Å
199G98.1Very high96.9Very high0 Ų021 Ų210%010%0.102CC..BIsolated β-bridgetrans-111.7144.5173.500000111.8P201 T256 V257G199-P201 WeakPolarHBondContact O-CD 3.49Å; G199-T256 VanDerWaalsContact O-CA 3.3Å; G199-T256 WeakPolarHBondContact O-CA 3.25Å; G199-V257 PolarHBondContact N-O 2.99Å; G199-V257 PolarHBondContact O-N 3.29Å
200T98.5Very high97Very high1 Ų117.4 Ų17.41%0.0068%0.082CC..  trans-102.598.5176.2-45.50000109.2E173 G202 H203 W204 Y255 W271E173-T200 VanDerWaalsContact OE1-CB 3.31Å; E173-T200 WeakPolarHBondContact OE1-CB 3.4Å; E173-T200 PolarHBondContact OE1-OG1 3.49Å; E173-T200 VanDerWaalsContact OE1-OG1 3.06Å; T200-G202 PolarHBondContact O-N 3.39Å; T200-H203 WeakPolarHBondContact O-CB 3.42Å; T200-H203 PolarHBondContact O-N 3.36Å; T200-W204 VanDerWaalsContact O-CD1 3.23Å; T200-W204 PolarHBondContact O-N 2.9Å; T200-Y255 HydrophobicContact CG2-CD2 4.24Å; T200-Y255 HydrophobicContact CG2-CE2 4Å; T200-Y255 WeakPolarHBondContact CG2-O 3.28Å; T200-W271 HydrophobicContact CG2-CH2 3.79Å; T200-W271 HydrophobicContact CG2-CZ2 3.76Å
201P98.7Very high97.2Very high0 Ų015.4 Ų15.40%07%0.069CC..Hα-helixtrans-59.5-26.9-170.9-27.238.4000114.6G199 H203 W204 I205 T240 A244 Y255 V257G199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-H203 VanDerWaalsContact C-N 3.3Å; P201-H203 PolarHBondContact O-N 2.76Å; P201-W204 HydrophobicContact CB-CD2 4.22Å; P201-W204 HydrophobicContact CB-CE3 4.05Å; P201-W204 HydrophobicContact CB-CZ3 4.29Å; P201-W204 HydrophobicContact CG-CE3 4.41Å; P201-W204 HydrophobicContact CG-CH2 4.17Å; P201-W204 HydrophobicContact CG-CZ2 4.27Å; P201-W204 HydrophobicContact CG-CZ3 4.23Å; P201-W204 WeakPolarHBondContact O-CB 3.36Å; P201-W204 PolarHBondContact O-N 3.29Å; P201-I205 PolarHBondContact O-N 3.47Å; P201-I205 VanDerWaalsContact O-N 3.16Å; P201-T240 HydrophobicContact CB-CG2 3.94Å; P201-T240 PolarHBondContact O-OG1 3.08Å; P201-A244 HydrophobicContact CB-CB 3.39Å; P201-A244 HydrophobicContact CG-CB 3.47Å; P201-A244 VanDerWaalsContact CG-CB 3.47Å; P201-Y255 VanDerWaalsContact CD-O 3.25Å; P201-Y255 WeakPolarHBondContact CD-O 3.17Å; P201-V257 HydrophobicContact CG-CG1 4.14Å; P201-V257 HydrophobicContact CG-CG2 4.1Å
202G98.4Very high97.4Very high0 Ų014.1 Ų14.10%06%0.059CC..Hα-helixtrans-57.3-40.5170.500000113.3T200 W204 I205 E206 W271T200-G202 PolarHBondContact O-N 3.39Å; G202-W204 VanDerWaalsContact C-N 3.35Å; G202-I205 VanDerWaalsContact O-CG2 3.23Å; G202-I205 WeakPolarHBondContact O-CG2 3.46Å; G202-E206 WeakPolarHBondContact O-CB 3.29Å; G202-E206 PolarHBondContact O-N 3.02Å; G202-E206 VanDerWaalsContact O-N 3.08Å; G202-W271 VanDerWaalsContact C-CH2 3.5Å; G202-W271 VanDerWaalsContact CA-CZ3 3.44Å
203H98.5Very high97.7Very high11 Ų1111.7 Ų11.75%0.0515%0.048CC..Hα-helixtrans-71.6-33.7177.3-66.3153.6000110.9N127 M130 E173 T200 P201 I205 E206 W207 W271N127-H203 PolarHBondContact ND2-CE1 2.99Å; M130-H203 HydrophobicContact CE-CB 4.38Å; M130-H203 HydrophobicContact SD-CB 3.98Å; E173-H203 VanDerWaalsContact CD-ND1 3.3Å; E173-H203 IonicContact OE1-CE1 3.86Å; E173-H203 IonicContact OE1-CG 2.83Å; E173-H203 IonicContact OE1-ND1 3.18Å; E173-H203 PolarHBondContact OE1-ND1 3.39Å; E173-H203 IonicContact OE2-CE1 3.93Å; E173-H203 IonicContact OE2-ND1 3.48Å; E173-H203 PolarHBondContact OE2-ND1 3.29Å; T200-H203 WeakPolarHBondContact O-CB 3.42Å; T200-H203 PolarHBondContact O-N 3.36Å; P201-H203 VanDerWaalsContact C-N 3.3Å; P201-H203 PolarHBondContact O-N 2.76Å; H203-I205 VanDerWaalsContact C-N 3.33Å; H203-I205 PolarHBondContact O-N 3.23Å; H203-E206 IonicContact CD2-OE2 2.79Å; H203-E206 PolarHBondContact O-N 3.45Å; H203-W207 PolarHBondContact O-N 3.26Å; H203-W271 HydrophobicContact CB-CH2 4.5Å; H203-W271 AromaticContact CD2-CH2 3.11Å; H203-W271 WeakPolarHBondContact CD2-CH2 3.28Å; H203-W271 AromaticContact CD2-CZ2 3.93Å; H203-W271 AromaticContact CD2-CZ3 3.52Å; H203-W271 AromaticContact CG-CH2 3.75Å; H203-W271 AromaticContact NE2-CH2 3.4Å; H203-W271 WeakPolarHBondContact NE2-CH2 3.45Å; H203-W271 AromaticContact NE2-CZ2 3.71Å
204W98.8Very high98Very high0 Ų06.6 Ų6.60%03%0.029CC..Hα-helixtrans-59.3-49178-51.8-3.5000110.1R170 V171 T200 P201 G202 W207 G208 L236 A239 D243 V257R170-W204 HydrophobicContact CB-CH2 3.8Å; R170-W204 HydrophobicContact CB-CZ2 3.66Å; R170-W204 HydrophobicContact CG-CH2 3.5Å; R170-W204 VanDerWaalsContact CG-CH2 3.5Å; R170-W204 HydrophobicContact CG-CZ2 3.92Å; R170-W204 HydrophobicContact CG-CZ3 4.1Å; V171-W204 VanDerWaalsContact CB-CD1 3.4Å; V171-W204 HydrophobicContact CB-CG 4.25Å; V171-W204 HydrophobicContact CG2-CB 4.05Å; V171-W204 VanDerWaalsContact CG2-CD1 3.4Å; V171-W204 HydrophobicContact CG2-CG 3.79Å; T200-W204 VanDerWaalsContact O-CD1 3.23Å; T200-W204 PolarHBondContact O-N 2.9Å; P201-W204 HydrophobicContact CB-CD2 4.22Å; P201-W204 HydrophobicContact CB-CE3 4.05Å; P201-W204 HydrophobicContact CB-CZ3 4.29Å; P201-W204 HydrophobicContact CG-CE3 4.41Å; P201-W204 HydrophobicContact CG-CH2 4.17Å; P201-W204 HydrophobicContact CG-CZ2 4.27Å; P201-W204 HydrophobicContact CG-CZ3 4.23Å; P201-W204 WeakPolarHBondContact O-CB 3.36Å; P201-W204 PolarHBondContact O-N 3.29Å; G202-W204 VanDerWaalsContact C-N 3.35Å; W204-W207 WeakPolarHBondContact O-CB 3.39Å; W204-W207 PolarHBondContact O-N 3.41Å; W204-G208 PolarHBondContact O-N 2.8Å; W204-L236 HydrophobicContact CB-CD2 3.97Å; W204-L236 WeakPolarHBondContact O-CB 3.45Å; W204-A239 HydrophobicContact CE3-CB 4.15Å; W204-A239 HydrophobicContact CZ3-CB 4.24Å; W204-D243 HydrophobicContact CH2-CB 4.38Å; W204-D243 HydrophobicContact CZ3-CB 4.17Å; W204-V257 HydrophobicContact CH2-CG2 3.42Å; W204-V257 VanDerWaalsContact CH2-CG2 3.42Å; W204-V257 HydrophobicContact CZ2-CG2 3.7Å
205I98.8Very high98.3Very high0 Ų04.6 Ų4.60%02%0.02CC..Hα-helixtrans-70.5-33.4-179.8-159.4153.4000112.1P201 G202 H203 G208 R209 F237 T240 E275 A276 T279 W299P201-I205 PolarHBondContact O-N 3.47Å; P201-I205 VanDerWaalsContact O-N 3.16Å; G202-I205 VanDerWaalsContact O-CG2 3.23Å; G202-I205 WeakPolarHBondContact O-CG2 3.46Å; H203-I205 VanDerWaalsContact C-N 3.33Å; H203-I205 PolarHBondContact O-N 3.23Å; I205-G208 PolarHBondContact O-N 3.08Å; I205-G208 VanDerWaalsContact O-N 3.15Å; I205-R209 PolarHBondContact O-N 3.34Å; I205-F237 HydrophobicContact CD1-CD2 3.48Å; I205-F237 VanDerWaalsContact CD1-CD2 3.48Å; I205-F237 HydrophobicContact CD1-CE2 3.85Å; I205-F237 HydrophobicContact CD1-CG 4.19Å; I205-F237 HydrophobicContact CG1-CD2 3.98Å; I205-T240 HydrophobicContact CB-CG2 4Å; I205-T240 HydrophobicContact CD1-CG2 4Å; I205-T240 HydrophobicContact CG2-CG2 4.23Å; I205-E275 HydrophobicContact CG2-CB 4.09Å; I205-A276 VanDerWaalsContact CD1-CA 3.48Å; I205-A276 HydrophobicContact CD1-CB 3.55Å; I205-A276 HydrophobicContact CG1-CB 4.33Å; I205-A276 HydrophobicContact CG2-CB 4.18Å; I205-T279 HydrophobicContact CG1-CG2 3.84Å; I205-T279 WeakPolarHBondContact O-CG2 3.44Å; I205-T279 PolarHBondContact O-OG1 3.12Å; I205-W299 HydrophobicContact CD1-CH2 4.17Å
206E98.9Very high98.5Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-61.9-45.6173.3-175.2166.6-166.500112.1M130 H131 G202 H203 G208 R209 L210 E275 H338M130-E206 HydrophobicContact CE-CG 4.16Å; M130-E206 WeakPolarHBondContact CE-OE2 3.22Å; M130-E206 HydrophobicContact SD-CB 4.01Å; M130-E206 HydrophobicContact SD-CG 3.93Å; H131-E206 IonicContact CE1-OE1 3.29Å; H131-E206 PolarHBondContact CE1-OE1 2.89Å; G202-E206 WeakPolarHBondContact O-CB 3.29Å; G202-E206 PolarHBondContact O-N 3.02Å; G202-E206 VanDerWaalsContact O-N 3.08Å; H203-E206 IonicContact CD2-OE2 2.79Å; H203-E206 PolarHBondContact O-N 3.45Å; E206-G208 PolarHBondContact O-N 2.91Å; E206-R209 PolarHBondContact O-N 3.47Å; E206-R209 IonicContact OE1-NH2 3.89Å; E206-L210 WeakPolarHBondContact O-CG 3.38Å; E206-L210 PolarHBondContact O-N 3.01Å; E206-E275 HydrophobicContact CB-CB 4.19Å; E206-E275 HydrophobicContact CB-CG 4.04Å; E206-E275 HydrophobicContact CG-CG 4.21Å; E206-H338 IonicContact OE1-CE1 2.76Å
207W98.9Very high98.6Very high1 Ų14 Ų40%0.0042%0.021CC..Hα-helixtrans-51.6-42.6170.7-88.3110.7000112M130 V133 V155 A156 I159 I160 H203 W204 R209 L210 M211 L236M130-W207 HydrophobicContact CB-CD2 4.33Å; M130-W207 HydrophobicContact CB-CH2 4.12Å; M130-W207 HydrophobicContact CB-CZ2 3.41Å; M130-W207 VanDerWaalsContact CB-CZ2 3.41Å; M130-W207 HydrophobicContact CG-CD2 3.87Å; M130-W207 HydrophobicContact CG-CE3 4.49Å; M130-W207 HydrophobicContact CG-CG 4.15Å; M130-W207 HydrophobicContact CG-CH2 4.47Å; M130-W207 HydrophobicContact CG-CZ2 3.9Å; M130-W207 HydrophobicContact SD-CD2 4.46Å; M130-W207 HydrophobicContact SD-CG 4.14Å; V133-W207 HydrophobicContact CB-CZ3 4.28Å; V133-W207 HydrophobicContact CG1-CZ3 4.48Å; V133-W207 HydrophobicContact CG2-CH2 3.86Å; V133-W207 HydrophobicContact CG2-CZ3 3.8Å; V155-W207 HydrophobicContact CG1-CH2 3.85Å; A156-W207 HydrophobicContact CB-CZ3 4.08Å; I159-W207 HydrophobicContact CB-CH2 4.37Å; I159-W207 HydrophobicContact CB-CZ2 4.1Å; I159-W207 HydrophobicContact CG1-CH2 4.43Å; I159-W207 HydrophobicContact CG1-CZ2 4.23Å; I159-W207 HydrophobicContact CG2-CZ2 3.85Å; I160-W207 HydrophobicContact CD1-CB 3.87Å; I160-W207 HydrophobicContact CD1-CD2 3.67Å; I160-W207 HydrophobicContact CD1-CE3 4.18Å; I160-W207 HydrophobicContact CD1-CG 3.52Å; I160-W207 HydrophobicContact CG1-CB 4.28Å; I160-W207 HydrophobicContact CG1-CD2 3.81Å; I160-W207 HydrophobicContact CG1-CE3 3.76Å; I160-W207 HydrophobicContact CG1-CG 4.06Å; I160-W207 HydrophobicContact CG1-CZ3 4.39Å; H203-W207 PolarHBondContact O-N 3.26Å; W204-W207 WeakPolarHBondContact O-CB 3.39Å; W204-W207 PolarHBondContact O-N 3.41Å; W207-R209 VanDerWaalsContact C-N 3.34Å; W207-R209 PolarHBondContact O-N 3.08Å; W207-L210 PolarHBondContact O-N 3.46Å; W207-M211 VanDerWaalsContact O-CG 3.28Å; W207-M211 WeakPolarHBondContact O-CG 3.44Å; W207-M211 PolarHBondContact O-N 2.7Å; W207-L236 HydrophobicContact CB-CD1 3.75Å
208G98.9Very high98.7Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-56.5-45176.500000112.6W204 I205 E206 L212 A233W204-G208 PolarHBondContact O-N 2.8Å; I205-G208 PolarHBondContact O-N 3.08Å; I205-G208 VanDerWaalsContact O-N 3.15Å; E206-G208 PolarHBondContact O-N 2.91Å; G208-L212 VanDerWaalsContact O-CG 3.31Å; G208-L212 WeakPolarHBondContact O-CG 3.43Å; G208-L212 PolarHBondContact O-N 2.9Å; G208-A233 WeakPolarHBondContact O-CB 3.5Å
209R98.9Very high98.7Very high5 Ų58.1 Ų8.12%0.0194%0.04CC..Hα-helixtrans-65.7-44.5176.5178.2172.960.669.15.3111.9E134 I205 E206 W207 M211 L212 H213 E275 T279 A282 H341E134-R209 IonicContact OE1-NH2 3.31Å; I205-R209 PolarHBondContact O-N 3.34Å; E206-R209 PolarHBondContact O-N 3.47Å; E206-R209 IonicContact OE1-NH2 3.89Å; W207-R209 VanDerWaalsContact C-N 3.34Å; W207-R209 PolarHBondContact O-N 3.08Å; R209-M211 VanDerWaalsContact C-N 3.34Å; R209-M211 PolarHBondContact O-N 2.91Å; R209-L212 PolarHBondContact O-N 2.73Å; R209-L212 VanDerWaalsContact O-N 3.15Å; R209-H213 PolarHBondContact O-CD2 3.03Å; R209-H213 VanDerWaalsContact O-CD2 3.24Å; R209-H213 PolarHBondContact O-N 3.31Å; R209-E275 IonicContact CZ-OE2 2.67Å; R209-E275 VanDerWaalsContact CZ-OE2 3.29Å; R209-E275 IonicContact NE-OE2 2.81Å; R209-E275 PolarHBondContact NE-OE2 2.94Å; R209-E275 VanDerWaalsContact NE-OE2 3.15Å; R209-E275 IonicContact NH2-OE1 2.8Å; R209-E275 IonicContact NH2-OE2 3.49Å; R209-E275 PolarHBondContact NH2-OE2 3.28Å; R209-T279 HydrophobicContact CB-CG2 4.38Å; R209-T279 WeakPolarHBondContact CB-OG1 3.45Å; R209-A282 HydrophobicContact CG-CB 4.44Å; R209-H341 PolarHBondContact NH2-CE1 3.42Å; R209-H341 PolarHBondContact NH2-ND1 2.97Å
210L98.9Very high98.7Very high2 Ų211.7 Ų11.71%0.017%0.07CC..Hα-helixtrans-61.8-40.6179.8-63.3179.9000112.1M130 V133 E134 L137 E206 W207 L212 H213 I214M130-L210 HydrophobicContact CG-CD1 3.66Å; M130-L210 WeakPolarHBondContact O-CD1 3.23Å; V133-L210 HydrophobicContact CG1-CB 4.12Å; V133-L210 HydrophobicContact CG1-CD1 4.38Å; E134-L210 HydrophobicContact CB-CD1 4.12Å; E134-L210 HydrophobicContact CB-CD2 3.83Å; E134-L210 HydrophobicContact CG-CD2 3.96Å; L137-L210 HydrophobicContact CD1-CD2 4.39Å; E206-L210 WeakPolarHBondContact O-CG 3.38Å; E206-L210 PolarHBondContact O-N 3.01Å; W207-L210 PolarHBondContact O-N 3.46Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.72Å; L210-H213 WeakPolarHBondContact O-CB 3.39Å; L210-H213 PolarHBondContact O-N 2.88Å; L210-H213 VanDerWaalsContact O-N 3.15Å; L210-I214 WeakPolarHBondContact O-CG1 3.41Å; L210-I214 PolarHBondContact O-N 3.32Å
211M98.9Very high98.5Very high0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-64-32.7175.5-69.3173.264.900112.8A156 I160 W207 R209 I214 H215 W228 L229 D232 L236A156-M211 HydrophobicContact CB-CG 4.28Å; I160-M211 HydrophobicContact CB-SD 4Å; I160-M211 HydrophobicContact CG1-SD 3.96Å; I160-M211 HydrophobicContact CG2-CE 4.14Å; I160-M211 HydrophobicContact CG2-SD 3.72Å; W207-M211 VanDerWaalsContact O-CG 3.28Å; W207-M211 WeakPolarHBondContact O-CG 3.44Å; W207-M211 PolarHBondContact O-N 2.7Å; R209-M211 VanDerWaalsContact C-N 3.34Å; R209-M211 PolarHBondContact O-N 2.91Å; M211-I214 WeakPolarHBondContact O-CB 3.48Å; M211-I214 PolarHBondContact O-N 3.08Å; M211-H215 PolarHBondContact O-N 3.42Å; M211-W228 HydrophobicContact CE-CE3 3.53Å; M211-W228 HydrophobicContact CE-CZ3 3.35Å; M211-L229 HydrophobicContact CB-CD2 4.21Å; M211-L229 HydrophobicContact CE-CD2 4.16Å; M211-L229 HydrophobicContact CG-CD2 4.44Å; M211-D232 HydrophobicContact CE-CB 3.5Å; M211-D232 VanDerWaalsContact CE-CB 3.5Å; M211-D232 HydrophobicContact SD-CB 4.42Å; M211-L236 HydrophobicContact SD-CD1 4.05Å
212L98.9Very high98.4Very high0 Ų021.2 Ų21.20%012%0.123CC..Hα-helixtrans-74.9-27.7174.6-63.1174.7000112.6G208 R209 L210 H215 A216 L230 A233 A282 L283 V286 L350G208-L212 VanDerWaalsContact O-CG 3.31Å; G208-L212 WeakPolarHBondContact O-CG 3.43Å; G208-L212 PolarHBondContact O-N 2.9Å; R209-L212 PolarHBondContact O-N 2.73Å; R209-L212 VanDerWaalsContact O-N 3.15Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.72Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 2.84Å; L212-A216 WeakPolarHBondContact O-CB 3.5Å; L212-A216 PolarHBondContact O-N 3.11Å; L212-L230 HydrophobicContact CD2-CD1 3.75Å; L212-A233 HydrophobicContact CD1-CB 4.19Å; L212-A233 HydrophobicContact CD2-CB 3.91Å; L212-A233 HydrophobicContact CG-CB 3.85Å; L212-A282 HydrophobicContact CB-CB 4.17Å; L212-A282 HydrophobicContact CD1-CB 3.58Å; L212-L283 HydrophobicContact CD1-CB 4.47Å; L212-L283 HydrophobicContact CD1-CD2 3.79Å; L212-L283 HydrophobicContact CD1-CG 3.76Å; L212-V286 HydrophobicContact CD2-CG2 4.3Å; L212-L350 HydrophobicContact CB-CD1 4.17Å
213H98.9Very high98.4Very high14 Ų1424.9 Ų24.97%0.06514%0.141CC..Hα-helixtrans-67.8-40.4166.5-73.1-65.8000111.8L137 R209 L210 H215 A216 A217 L350L137-H213 HydrophobicContact CD1-CB 3.76Å; L137-H213 HydrophobicContact CD2-CB 4.27Å; R209-H213 PolarHBondContact O-CD2 3.03Å; R209-H213 VanDerWaalsContact O-CD2 3.24Å; R209-H213 PolarHBondContact O-N 3.31Å; L210-H213 WeakPolarHBondContact O-CB 3.39Å; L210-H213 PolarHBondContact O-N 2.88Å; L210-H213 VanDerWaalsContact O-N 3.15Å; H213-H215 VanDerWaalsContact C-N 3.34Å; H213-A216 PolarHBondContact O-N 2.8Å; H213-A217 VanDerWaalsContact O-CB 3.31Å; H213-A217 WeakPolarHBondContact O-CB 3.33Å; H213-A217 PolarHBondContact O-N 2.8Å; H213-L350 PolarHBondContact ND1-O 3.46Å
214I98.8Very high98.3Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-59.1-47.3171.6-64171.7000110.2V133 L137 L149 A152 I153 A156 L210 M211 A216 A217 L218 L229V133-I214 HydrophobicContact CG1-CD1 3.95Å; L137-I214 HydrophobicContact CD1-CG1 4.37Å; L137-I214 HydrophobicContact CD2-CG1 3.89Å; L137-I214 HydrophobicContact CG-CG1 4.43Å; L149-I214 HydrophobicContact CD1-CG1 4.48Å; L149-I214 HydrophobicContact CD1-CG2 4.11Å; A152-I214 HydrophobicContact CB-CD1 4.14Å; A152-I214 HydrophobicContact CB-CG1 4.38Å; I153-I214 HydrophobicContact CD1-CG2 4.18Å; I153-I214 HydrophobicContact CG1-CG2 3.46Å; I153-I214 VanDerWaalsContact CG1-CG2 3.46Å; A156-I214 HydrophobicContact CB-CD1 4.16Å; L210-I214 WeakPolarHBondContact O-CG1 3.41Å; L210-I214 PolarHBondContact O-N 3.32Å; M211-I214 WeakPolarHBondContact O-CB 3.48Å; M211-I214 PolarHBondContact O-N 3.08Å; I214-A216 PolarHBondContact O-N 3.31Å; I214-A217 PolarHBondContact O-N 3.42Å; I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 PolarHBondContact O-N 2.97Å; I214-L218 VanDerWaalsContact O-N 3.13Å; I214-L229 HydrophobicContact CB-CD1 4.49Å; I214-L229 HydrophobicContact CB-CD2 4.29Å; I214-L229 HydrophobicContact CG2-CD1 3.86Å; I214-L229 HydrophobicContact CG2-CD2 4.02Å
215H98.8Very high98.3Very high16 Ų1632.8 Ų32.87%0.07418%0.178CC..Hα-helixtrans-54.3-53.6177.1-179-73.7000111.3M211 L212 H213 A217 L218 E219 P225 L229M211-H215 PolarHBondContact O-N 3.42Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 2.84Å; H213-H215 VanDerWaalsContact C-N 3.34Å; H215-A217 VanDerWaalsContact C-N 3.32Å; H215-A217 PolarHBondContact O-N 2.83Å; H215-L218 PolarHBondContact O-N 2.96Å; H215-E219 IonicContact CE1-OE1 3.52Å; H215-E219 PolarHBondContact CE1-OE1 2.84Å; H215-E219 VanDerWaalsContact CE1-OE1 3.29Å; H215-E219 IonicContact CE1-OE2 3.57Å; H215-E219 PolarHBondContact CE1-OE2 3.08Å; H215-E219 VanDerWaalsContact CE1-OE2 3.29Å; H215-E219 IonicContact ND1-OE1 3.59Å; H215-E219 IonicContact ND1-OE2 3.93Å; H215-E219 PolarHBondContact ND1-OE2 3.41Å; H215-E219 VanDerWaalsContact ND1-OE2 3.08Å; H215-E219 PolarHBondContact O-N 3.13Å; H215-E219 VanDerWaalsContact O-N 3.12Å; H215-P225 HydrophobicContact CB-CB 4.41Å; H215-P225 VanDerWaalsContact CD2-CB 3.46Å; H215-P225 WeakPolarHBondContact CD2-CB 3.29Å; H215-P225 WeakPolarHBondContact O-CG 3.37Å; H215-L229 HydrophobicContact CB-CB 4.35Å; H215-L229 HydrophobicContact CB-CD1 4.2Å
216A98.8Very high98.2Very high10 Ų1035.1 Ų35.18%0.08319%0.193CC..Hα-helixtrans-64.8-33.9-179.700000113L212 H213 I214 L218 E219 A220 L350 A351L212-A216 WeakPolarHBondContact O-CB 3.5Å; L212-A216 PolarHBondContact O-N 3.11Å; H213-A216 PolarHBondContact O-N 2.8Å; I214-A216 PolarHBondContact O-N 3.31Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.3Å; A216-E219 PolarHBondContact O-N 2.82Å; A216-A220 WeakPolarHBondContact O-CB 3.5Å; A216-A220 PolarHBondContact O-N 3.27Å; A216-L350 HydrophobicContact CB-CB 3.52Å; A216-A351 HydrophobicContact CB-CB 3.7Å; A216-A351 WeakPolarHBondContact O-CB 3.44Å
217A98.7Very high98.2Very high4 Ų438.1 Ų38.13%0.03322%0.218CC..Hα-helixtrans-66.2-32.6176.900000113Y140 L149 H213 I214 H215Y140-A217 HydrophobicContact CE1-CB 3.99Å; Y140-A217 PolarHBondContact OH-O 3.29Å; L149-A217 HydrophobicContact CD1-CB 4.08Å; L149-A217 HydrophobicContact CD2-CB 4.23Å; H213-A217 VanDerWaalsContact O-CB 3.31Å; H213-A217 WeakPolarHBondContact O-CB 3.33Å; H213-A217 PolarHBondContact O-N 2.8Å; I214-A217 PolarHBondContact O-N 3.42Å; H215-A217 VanDerWaalsContact C-N 3.32Å; H215-A217 PolarHBondContact O-N 2.83Å
218L98.6Very high98.2Very high7 Ų739.8 Ų39.84%0.03722%0.224CC..Hα-helixtrans-71.2-45.4171.8-69.4168.7000111.1L149 I153 I214 H215 A216 A220 R221 E223 P225 L229L149-L218 HydrophobicContact CD2-CD2 3.81Å; L149-L218 HydrophobicContact CD2-CG 4.2Å; I153-L218 HydrophobicContact CD1-CD1 4.18Å; I153-L218 HydrophobicContact CD1-CD2 4.23Å; I214-L218 HydrophobicContact CG2-CD1 4.34Å; I214-L218 PolarHBondContact O-N 2.97Å; I214-L218 VanDerWaalsContact O-N 3.13Å; H215-L218 PolarHBondContact O-N 2.96Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.3Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 3.37Å; L218-R221 PolarHBondContact O-N 2.97Å; L218-E223 CarbonylContact C-O 3.56Å; L218-E223 HydrophobicContact CB-CB 4.42Å; L218-E223 HydrophobicContact CD2-CB 4.42Å; L218-E223 PolarHBondContact O-N 2.89Å; L218-E223 VanDerWaalsContact O-N 3.08Å; L218-P225 HydrophobicContact CB-CB 4.33Å; L218-P225 HydrophobicContact CB-CG 4.03Å; L218-P225 HydrophobicContact CD1-CB 4.1Å; L218-L229 HydrophobicContact CD1-CD1 4.02Å
219E98.2Very high98.2Very high100 Ų10039.8 Ų39.847%0.46722%0.224SC..Hα-helixtrans-60-39.6176.6-67.8-177125.800112.4H215 A216 R221 C222 P225H215-E219 IonicContact CE1-OE1 3.52Å; H215-E219 PolarHBondContact CE1-OE1 2.84Å; H215-E219 VanDerWaalsContact CE1-OE1 3.29Å; H215-E219 IonicContact CE1-OE2 3.57Å; H215-E219 PolarHBondContact CE1-OE2 3.08Å; H215-E219 VanDerWaalsContact CE1-OE2 3.29Å; H215-E219 IonicContact ND1-OE1 3.59Å; H215-E219 IonicContact ND1-OE2 3.93Å; H215-E219 PolarHBondContact ND1-OE2 3.41Å; H215-E219 VanDerWaalsContact ND1-OE2 3.08Å; H215-E219 PolarHBondContact O-N 3.13Å; H215-E219 VanDerWaalsContact O-N 3.12Å; A216-E219 PolarHBondContact O-N 2.82Å; E219-R221 PolarHBondContact O-N 3.39Å; E219-C222 PolarHBondContact O-N 3.32Å; E219-P225 HydrophobicContact CG-CG 3.44Å; E219-P225 VanDerWaalsContact CG-CG 3.44Å
220A97.8Very high98.2Very high75 Ų7541.3 Ų41.362%0.6223%0.233SC*.THydrogen-bonded Turntrans-60.8-17.117700000113.4A216 L218 A351A216-A220 WeakPolarHBondContact O-CB 3.5Å; A216-A220 PolarHBondContact O-N 3.27Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 3.37Å; A220-A351 HydrophobicContact CB-CB 4.15Å
221R95.3Very high98.2Very high75 Ų7546.3 Ų46.328%0.28326%0.256SS..THydrogen-bonded Turntrans-102.39.7173.9-67.4-171.6166174.75.9113.8Y140 H144 L218 E219 E223Y140-R221 VanDerWaalsContact CE2-NH1 3.27Å; Y140-R221 WeakPolarHBondContact OH-CD 3.19Å; Y140-R221 PolarHBondContact OH-NE 3.08Å; Y140-R221 PolarHBondContact OH-NH2 3.47Å; H144-R221 PolarHBondContact O-NH2 3.18Å; L218-R221 PolarHBondContact O-N 2.97Å; E219-R221 PolarHBondContact O-N 3.39Å; R221-E223 HydrophobicContact CB-CG 4.29Å; R221-E223 PolarHBondContact O-N 3.02Å
222C96.2Very high98.2Very high125 Ų12546.3 Ų46.385%0.84526%0.256SS*.THydrogen-bonded Turntrans58.126.8-172.4-53.10000113.1E219E219-C222 PolarHBondContact O-N 3.32Å
223E97.3Very high98.2Very high78 Ų7846.3 Ų46.336%0.36426%0.256SS..PPolyproline II helixtrans-94.2135.8170.8-66-176.6-161.900108.8K146 L218 R221 P225K146-E223 IonicContact NZ-OE1 3.65Å; K146-E223 IonicContact NZ-OE2 3.43Å; L218-E223 CarbonylContact C-O 3.56Å; L218-E223 HydrophobicContact CB-CB 4.42Å; L218-E223 HydrophobicContact CD2-CB 4.42Å; L218-E223 PolarHBondContact O-N 2.89Å; L218-E223 VanDerWaalsContact O-N 3.08Å; R221-E223 HydrophobicContact CB-CG 4.29Å; R221-E223 PolarHBondContact O-N 3.02Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å
224Q97.4Very high98.2Very high171 Ų17149.1 Ų49.180%0.79927%0.268SS*.PPolyproline II helixtrans-71.6116.5175.917962.853.800109.3
225P98Very high98.2Very high6 Ų649.6 Ų49.64%0.03927%0.273CS..PPolyproline II helixtrans-65.4143.3177-18.131.6000110.7H215 L218 E219 E223 A227 L229H215-P225 HydrophobicContact CB-CB 4.41Å; H215-P225 VanDerWaalsContact CD2-CB 3.46Å; H215-P225 WeakPolarHBondContact CD2-CB 3.29Å; H215-P225 WeakPolarHBondContact O-CG 3.37Å; L218-P225 HydrophobicContact CB-CB 4.33Å; L218-P225 HydrophobicContact CB-CG 4.03Å; L218-P225 HydrophobicContact CD1-CB 4.1Å; E219-P225 HydrophobicContact CG-CG 3.44Å; E219-P225 VanDerWaalsContact CG-CG 3.44Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-A227 PolarHBondContact O-N 2.87Å; P225-L229 HydrophobicContact CB-CD1 4.2Å
226P98.2Very high98.2Very high48 Ų4848.8 Ų48.831%0.31227%0.269SS..PPolyproline II helixtrans-65.9136.1173.129.4-35.4000110.2W228 L229P226-W228 PolarHBondContact O-N 2.93Å; P226-W228 VanDerWaalsContact O-N 3.09Å; P226-L229 HydrophobicContact CG-CD1 3.84Å; P226-L229 HydrophobicContact CG-CG 4.08Å; P226-L229 PolarHBondContact O-N 2.82Å; P226-L229 VanDerWaalsContact O-N 3.16Å
227A98.6Very high98.2Very high63 Ų6348.3 Ų48.352%0.52127%0.265SS..THydrogen-bonded Turntrans-56.6-32-171.300000113.9P225 L229 L230 E231P225-A227 PolarHBondContact O-N 2.87Å; A227-L229 PolarHBondContact O-N 2.92Å; A227-L229 VanDerWaalsContact O-N 3.14Å; A227-L230 PolarHBondContact O-N 3.45Å; A227-L230 VanDerWaalsContact O-N 3.13Å; A227-E231 WeakPolarHBondContact O-CG 3.44Å; A227-E231 PolarHBondContact O-N 3.3Å; A227-E231 VanDerWaalsContact O-N 3.12Å
228W98.8Very high98.2Very high37 Ų3751.9 Ų51.914%0.1428%0.283CS..Hα-helixtrans-58.9-27.2-178.468.8-100.1000113.5I153 A156 H161 M211 P226 L230 E231 D232I153-W228 HydrophobicContact CG2-CZ2 4.11Å; A156-W228 HydrophobicContact CB-CH2 3.92Å; A156-W228 HydrophobicContact CB-CZ3 4.19Å; H161-W228 HydrophobicContact CB-CD2 4.34Å; H161-W228 HydrophobicContact CB-CE3 3.9Å; H161-W228 HydrophobicContact CB-CZ3 4.11Å; H161-W228 WeakPolarHBondContact CE1-CB 3.37Å; H161-W228 AromaticContact CE1-CG 3.89Å; H161-W228 WeakPolarHBondContact ND1-CB 3.37Å; H161-W228 AromaticContact ND1-CD2 3.96Å; H161-W228 AromaticContact ND1-CE3 3.97Å; H161-W228 AromaticContact ND1-CG 3.74Å; M211-W228 HydrophobicContact CE-CE3 3.53Å; M211-W228 HydrophobicContact CE-CZ3 3.35Å; P226-W228 PolarHBondContact O-N 2.93Å; P226-W228 VanDerWaalsContact O-N 3.09Å; W228-L230 VanDerWaalsContact C-N 3.32Å; W228-L230 PolarHBondContact O-N 2.9Å; W228-E231 PolarHBondContact O-N 3.32Å; W228-D232 WeakPolarHBondContact O-CB 3.44Å; W228-D232 PolarHBondContact O-N 2.94Å
229L98.9Very high98.3Very high0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-58.8-44.9177-70.4170.5000111.7M211 I214 H215 L218 P225 P226 A227 A233M211-L229 HydrophobicContact CB-CD2 4.21Å; M211-L229 HydrophobicContact CE-CD2 4.16Å; M211-L229 HydrophobicContact CG-CD2 4.44Å; I214-L229 HydrophobicContact CB-CD1 4.49Å; I214-L229 HydrophobicContact CB-CD2 4.29Å; I214-L229 HydrophobicContact CG2-CD1 3.86Å; I214-L229 HydrophobicContact CG2-CD2 4.02Å; H215-L229 HydrophobicContact CB-CB 4.35Å; H215-L229 HydrophobicContact CB-CD1 4.2Å; L218-L229 HydrophobicContact CD1-CD1 4.02Å; P225-L229 HydrophobicContact CB-CD1 4.2Å; P226-L229 HydrophobicContact CG-CD1 3.84Å; P226-L229 HydrophobicContact CG-CG 4.08Å; P226-L229 PolarHBondContact O-N 2.82Å; P226-L229 VanDerWaalsContact O-N 3.16Å; A227-L229 PolarHBondContact O-N 2.92Å; A227-L229 VanDerWaalsContact O-N 3.14Å; L229-A233 VanDerWaalsContact O-CB 3.22Å; L229-A233 WeakPolarHBondContact O-CB 3.24Å; L229-A233 PolarHBondContact O-N 3.31Å
230L98.8Very high98.3Very high37 Ų3746.9 Ų46.919%0.19426%0.261CS..Hα-helixtrans-79-40.1178.3178.559000111.8L212 A227 W228 K234 L283 V286 T287L212-L230 HydrophobicContact CD2-CD1 3.75Å; A227-L230 PolarHBondContact O-N 3.45Å; A227-L230 VanDerWaalsContact O-N 3.13Å; W228-L230 VanDerWaalsContact C-N 3.32Å; W228-L230 PolarHBondContact O-N 2.9Å; L230-K234 HydrophobicContact CD1-CD 4.45Å; L230-K234 HydrophobicContact CD1-CG 4.36Å; L230-K234 HydrophobicContact CG-CD 4.44Å; L230-K234 WeakPolarHBondContact O-CG 3.43Å; L230-K234 PolarHBondContact O-N 3.08Å; L230-L283 HydrophobicContact CD1-CD2 4.17Å; L230-V286 HydrophobicContact CD1-CB 4.42Å; L230-V286 HydrophobicContact CD1-CG1 3.79Å; L230-V286 HydrophobicContact CD2-CG1 3.96Å; L230-V286 HydrophobicContact CG-CG1 4.46Å; L230-T287 HydrophobicContact CD1-CG2 4.14Å
231E98.9Very high98.3Very high106 Ų10644.7 Ų44.750%0.49524%0.239SC..Hα-helixtrans-60.7-46.7179.2-67.7173.6173.600111.4A227 W228 K234 G235A227-E231 WeakPolarHBondContact O-CG 3.44Å; A227-E231 PolarHBondContact O-N 3.3Å; A227-E231 VanDerWaalsContact O-N 3.12Å; W228-E231 PolarHBondContact O-N 3.32Å; E231-K234 PolarHBondContact O-N 3.13Å; E231-G235 PolarHBondContact O-N 3.44Å
232D98.9Very high98.5Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-74.7-35.7-177.9-65.9-15.9000111.4I160 H161 R165 Y169 M211 W228 K234 G235 L236I160-D232 HydrophobicContact CG2-CB 3.84Å; H161-D232 WeakPolarHBondContact CA-OD2 3.19Å; H161-D232 IonicContact CE1-OD2 2.8Å; H161-D232 IonicContact CG-OD2 2.68Å; H161-D232 IonicContact ND1-OD1 3.59Å; H161-D232 IonicContact ND1-OD2 3.54Å; H161-D232 PolarHBondContact ND1-OD2 3.14Å; R165-D232 WeakPolarHBondContact CD-OD1 3.28Å; Y169-D232 HydrophobicContact CE1-CB 3.88Å; Y169-D232 PolarHBondContact OH-OD1 2.88Å; M211-D232 HydrophobicContact CE-CB 3.5Å; M211-D232 VanDerWaalsContact CE-CB 3.5Å; M211-D232 HydrophobicContact SD-CB 4.42Å; W228-D232 WeakPolarHBondContact O-CB 3.44Å; W228-D232 PolarHBondContact O-N 2.94Å; D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 PolarHBondContact O-N 2.93Å; D232-G235 WeakPolarHBondContact O-CA 3.33Å; D232-G235 PolarHBondContact O-N 3.35Å; D232-G235 VanDerWaalsContact O-N 3.09Å; D232-L236 WeakPolarHBondContact O-CB 3.48Å; D232-L236 VanDerWaalsContact O-CG 3.32Å; D232-L236 WeakPolarHBondContact O-CG 3.46Å; D232-L236 PolarHBondContact O-N 2.97Å
233A98.9Very high98.6Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-59.9-41.7172.300000112.2G208 L212 L229 F237 L283G208-A233 WeakPolarHBondContact O-CB 3.5Å; L212-A233 HydrophobicContact CD1-CB 4.19Å; L212-A233 HydrophobicContact CD2-CB 3.91Å; L212-A233 HydrophobicContact CG-CB 3.85Å; L229-A233 VanDerWaalsContact O-CB 3.22Å; L229-A233 WeakPolarHBondContact O-CB 3.24Å; L229-A233 PolarHBondContact O-N 3.31Å; A233-F237 WeakPolarHBondContact O-CB 3.46Å; A233-F237 PolarHBondContact O-N 3.03Å; A233-F237 VanDerWaalsContact O-N 3.1Å; A233-L283 HydrophobicContact CB-CD2 4.43Å
234K98.9Very high98.7Very high73 Ų7337.9 Ų37.932%0.31719%0.193SC..Hα-helixtrans-63.1-42.7171.4-72.5176174.2178.10111.5L230 E231 D232 F237 N238 L283 T287L230-K234 HydrophobicContact CD1-CD 4.45Å; L230-K234 HydrophobicContact CD1-CG 4.36Å; L230-K234 HydrophobicContact CG-CD 4.44Å; L230-K234 WeakPolarHBondContact O-CG 3.43Å; L230-K234 PolarHBondContact O-N 3.08Å; E231-K234 PolarHBondContact O-N 3.13Å; D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 PolarHBondContact O-N 2.93Å; K234-F237 PolarHBondContact O-N 3.24Å; K234-N238 WeakPolarHBondContact O-CB 3.47Å; K234-N238 PolarHBondContact O-N 2.62Å; K234-N238 PolarHBondContact O-ND2 3.15Å; K234-L283 HydrophobicContact CG-CD2 3.7Å; K234-T287 VanDerWaalsContact CE-CG2 3.42Å
235G98.9Very high98.8Very high10 Ų1031.5 Ų31.510%0.10316%0.162CC..Hα-helixtrans-58.1-48.7177.800000113.3Y169 E231 D232 N238 A239Y169-G235 VanDerWaalsContact CE2-CA 3.47Å; Y169-G235 VanDerWaalsContact CG-C 3.47Å; E231-G235 PolarHBondContact O-N 3.44Å; D232-G235 WeakPolarHBondContact O-CA 3.33Å; D232-G235 PolarHBondContact O-N 3.35Å; D232-G235 VanDerWaalsContact O-N 3.09Å; G235-N238 PolarHBondContact O-N 3.05Å; G235-A239 WeakPolarHBondContact O-CB 3.47Å; G235-A239 PolarHBondContact O-N 2.94Å
236L98.9Very high98.8Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-63-45.2177.3-71.1165.5000112.6I160 Y169 V171 W204 W207 M211 D232 A239 T240I160-L236 HydrophobicContact CD1-CD1 4.2Å; I160-L236 HydrophobicContact CD1-CD2 4.27Å; I160-L236 HydrophobicContact CG1-CD1 4.44Å; I160-L236 HydrophobicContact CG2-CD1 3.75Å; I160-L236 HydrophobicContact CG2-CD2 4.47Å; I160-L236 HydrophobicContact CG2-CG 4.28Å; Y169-L236 HydrophobicContact CD1-CD2 4.28Å; Y169-L236 HydrophobicContact CD1-CG 4.08Å; V171-L236 HydrophobicContact CG2-CD2 3.54Å; W204-L236 HydrophobicContact CB-CD2 3.97Å; W204-L236 WeakPolarHBondContact O-CB 3.45Å; W207-L236 HydrophobicContact CB-CD1 3.75Å; M211-L236 HydrophobicContact SD-CD1 4.05Å; D232-L236 WeakPolarHBondContact O-CB 3.48Å; D232-L236 VanDerWaalsContact O-CG 3.32Å; D232-L236 WeakPolarHBondContact O-CG 3.46Å; D232-L236 PolarHBondContact O-N 2.97Å; L236-A239 PolarHBondContact O-N 3.24Å; L236-T240 WeakPolarHBondContact O-CB 3.39Å; L236-T240 PolarHBondContact O-N 3.49Å; L236-T240 PolarHBondContact O-OG1 3.04Å
237F98.9Very high98.8Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-58.5-50.3175.6-177-82.8000111.1I205 A233 K234 A239 T240 V241 T279 A280 L283 Y292 W295 W299I205-F237 HydrophobicContact CD1-CD2 3.48Å; I205-F237 VanDerWaalsContact CD1-CD2 3.48Å; I205-F237 HydrophobicContact CD1-CE2 3.85Å; I205-F237 HydrophobicContact CD1-CG 4.19Å; I205-F237 HydrophobicContact CG1-CD2 3.98Å; A233-F237 WeakPolarHBondContact O-CB 3.46Å; A233-F237 PolarHBondContact O-N 3.03Å; A233-F237 VanDerWaalsContact O-N 3.1Å; K234-F237 PolarHBondContact O-N 3.24Å; F237-A239 PolarHBondContact O-N 3.4Å; F237-T240 WeakPolarHBondContact O-CB 3.42Å; F237-T240 PolarHBondContact O-N 3.48Å; F237-V241 HydrophobicContact CD1-CG2 4.28Å; F237-V241 HydrophobicContact CE1-CG2 3.93Å; F237-V241 HydrophobicContact CZ-CG2 4.44Å; F237-V241 PolarHBondContact O-N 3.3Å; F237-T279 HydrophobicContact CD2-CG2 4.05Å; F237-A280 HydrophobicContact CE2-CB 3.91Å; F237-A280 HydrophobicContact CZ-CB 4.37Å; F237-L283 HydrophobicContact CB-CD1 3.49Å; F237-L283 VanDerWaalsContact CB-CD1 3.49Å; F237-L283 HydrophobicContact CD1-CD1 4.28Å; F237-L283 HydrophobicContact CD2-CD1 3.52Å; F237-L283 HydrophobicContact CE2-CD1 4.31Å; F237-L283 HydrophobicContact CG-CD1 3.5Å; F237-L283 VanDerWaalsContact CG-CD1 3.5Å; F237-Y292 HydrophobicContact CD1-CD1 4.1Å; F237-Y292 AromaticContact CD1-CE1 3.72Å; F237-Y292 HydrophobicContact CD1-CE1 3.72Å; F237-Y292 AromaticContact CE1-CD1 3.72Å; F237-Y292 HydrophobicContact CE1-CD1 3.72Å; F237-Y292 AromaticContact CE1-CE1 3.76Å; F237-Y292 HydrophobicContact CE1-CE1 3.76Å; F237-Y292 HydrophobicContact CE2-CD1 4.17Å; F237-Y292 HydrophobicContact CG-CE1 4.19Å; F237-Y292 AromaticContact CZ-CD1 3.75Å; F237-Y292 HydrophobicContact CZ-CD1 3.75Å; F237-Y292 HydrophobicContact CZ-CE1 4.23Å; F237-W295 AromaticContact CE1-CD1 3.81Å; F237-W295 HydrophobicContact CE1-CG 4.33Å; F237-W295 HydrophobicContact CZ-CB 4.03Å; F237-W295 AromaticContact CZ-CD1 3.84Å; F237-W295 AromaticContact CZ-CG 3.99Å; F237-W295 HydrophobicContact CZ-CG 3.99Å; F237-W299 HydrophobicContact CE1-CH2 4.47Å; F237-W299 AromaticContact CE2-CH2 3.58Å; F237-W299 HydrophobicContact CE2-CH2 3.58Å; F237-W299 AromaticContact CE2-CZ3 3.81Å; F237-W299 HydrophobicContact CE2-CZ3 3.81Å; F237-W299 AromaticContact CZ-CH2 3.49Å; F237-W299 HydrophobicContact CZ-CH2 3.49Å; F237-W299 VanDerWaalsContact CZ-CH2 3.49Å; F237-W299 AromaticContact CZ-CZ3 3.97Å; F237-W299 HydrophobicContact CZ-CZ3 3.97Å
238N98.8Very high98.8Very high78 Ų7832 Ų3242%0.41716%0.16SC..Hα-helixtrans-64.5-38.3-179.7-70.6-18.9000112.2K234 G235 V241 R242K234-N238 WeakPolarHBondContact O-CB 3.47Å; K234-N238 PolarHBondContact O-N 2.62Å; K234-N238 PolarHBondContact O-ND2 3.15Å; G235-N238 PolarHBondContact O-N 3.05Å; N238-V241 PolarHBondContact O-N 3.26Å; N238-R242 VanDerWaalsContact O-CB 3.23Å; N238-R242 WeakPolarHBondContact O-CB 3.46Å; N238-R242 PolarHBondContact O-N 3.29Å
239A98.9Very high98.7Very high2 Ų234.2 Ų34.22%0.01720%0.195CC..Hα-helixtrans-66.5-37.9175.800000112.5W204 G235 L236 F237 R242 D243W204-A239 HydrophobicContact CE3-CB 4.15Å; W204-A239 HydrophobicContact CZ3-CB 4.24Å; G235-A239 WeakPolarHBondContact O-CB 3.47Å; G235-A239 PolarHBondContact O-N 2.94Å; L236-A239 PolarHBondContact O-N 3.24Å; F237-A239 PolarHBondContact O-N 3.4Å; A239-R242 PolarHBondContact O-N 3.28Å; A239-D243 PolarHBondContact O-N 3.26Å
240T98.9Very high98.7Very high1 Ų135.4 Ų35.41%0.00620%0.204CC..Hα-helixtrans-62.2-47.5174.9-55.50000110.9P201 I205 L236 F237 A244 W245 I253P201-T240 HydrophobicContact CB-CG2 3.94Å; P201-T240 PolarHBondContact O-OG1 3.08Å; I205-T240 HydrophobicContact CB-CG2 4Å; I205-T240 HydrophobicContact CD1-CG2 4Å; I205-T240 HydrophobicContact CG2-CG2 4.23Å; L236-T240 WeakPolarHBondContact O-CB 3.39Å; L236-T240 PolarHBondContact O-N 3.49Å; L236-T240 PolarHBondContact O-OG1 3.04Å; F237-T240 WeakPolarHBondContact O-CB 3.42Å; F237-T240 PolarHBondContact O-N 3.48Å; T240-A244 WeakPolarHBondContact O-CA 3.24Å; T240-A244 WeakPolarHBondContact O-CB 3.3Å; T240-A244 PolarHBondContact O-N 3.1Å; T240-W245 PolarHBondContact O-N 3.29Å; T240-I253 HydrophobicContact CG2-CD1 4.39Å
241V98.8Very high98.7Very high29 Ų2937.3 Ų37.318%0.17622%0.215CC..Hα-helixtrans-62.3-45.1175.4174.80000111F237 N238 W245 W295 W299F237-V241 HydrophobicContact CD1-CG2 4.28Å; F237-V241 HydrophobicContact CE1-CG2 3.93Å; F237-V241 HydrophobicContact CZ-CG2 4.44Å; F237-V241 PolarHBondContact O-N 3.3Å; N238-V241 PolarHBondContact O-N 3.26Å; V241-W245 HydrophobicContact CG1-CB 4.44Å; V241-W245 PolarHBondContact O-N 2.92Å; V241-W295 HydrophobicContact CG1-CH2 3.77Å; V241-W295 HydrophobicContact CG1-CZ2 3.49Å; V241-W295 VanDerWaalsContact CG1-CZ2 3.49Å; V241-W295 HydrophobicContact CG2-CZ2 4.37Å; V241-W299 HydrophobicContact CG2-CH2 4.4Å; V241-W299 HydrophobicContact CG2-CZ2 4.15Å
242R98.7Very high98.7Very high123 Ų12332.3 Ų32.346%0.46419%0.192SC..Hα-helixtrans-58.3-51.1-178.4178.9-167.469.5-144.3-5112.9H168 N238 A239H168-R242 PolarHBondContact O-NH1 3.49Å; H168-R242 PolarHBondContact O-NH2 2.9Å; N238-R242 VanDerWaalsContact O-CB 3.23Å; N238-R242 WeakPolarHBondContact O-CB 3.46Å; N238-R242 PolarHBondContact O-N 3.29Å; A239-R242 PolarHBondContact O-N 3.28Å
243D98.8Very high98.7Very high11 Ų1132.5 Ų32.56%0.05919%0.192CC..Hα-helixtrans-93.9-24.1-169.5-66.5-15.8000112.6R170 W204 A239 V257R170-D243 IonicContact CZ-OD2 3.68Å; R170-D243 IonicContact NE-OD2 3.38Å; R170-D243 PolarHBondContact NE-OD2 3.41Å; R170-D243 IonicContact NH2-OD1 3.93Å; R170-D243 PolarHBondContact NH2-OD1 3.42Å; R170-D243 IonicContact NH2-OD2 3.71Å; R170-D243 PolarHBondContact NH2-OD2 2.96Å; W204-D243 HydrophobicContact CH2-CB 4.38Å; W204-D243 HydrophobicContact CZ3-CB 4.17Å; A239-D243 PolarHBondContact O-N 3.26Å; D243-V257 HydrophobicContact CB-CG1 4.34Å
244A98.8Very high98.7Very high0 Ų032.5 Ų32.50%019%0.192CC..Hα-helixtrans-125.7-20.8-162.500000116.3P201 T240 P247 I253 V254P201-A244 HydrophobicContact CB-CB 3.39Å; P201-A244 HydrophobicContact CG-CB 3.47Å; P201-A244 VanDerWaalsContact CG-CB 3.47Å; T240-A244 WeakPolarHBondContact O-CA 3.24Å; T240-A244 WeakPolarHBondContact O-CB 3.3Å; T240-A244 PolarHBondContact O-N 3.1Å; A244-P247 VanDerWaalsContact O-CD 3.28Å; A244-P247 WeakPolarHBondContact O-CD 3.4Å; A244-I253 HydrophobicContact CB-CG2 3.89Å; A244-I253 VanDerWaalsContact O-CA 3.28Å; A244-I253 WeakPolarHBondContact O-CA 3.21Å; A244-V254 HydrophobicContact CB-CG2 3.97Å; A244-V254 PolarHBondContact O-N 2.86Å; A244-V254 VanDerWaalsContact O-N 3.09Å
245W98.8Very high98.7Very high38 Ų3829.1 Ų29.114%0.14418%0.178CC..BIsolated β-bridgetrans-84.1119177176.1-100.4000111.4T240 V241 D251 I253 I273 W295 T298 W299 Y302T240-W245 PolarHBondContact O-N 3.29Å; V241-W245 HydrophobicContact CG1-CB 4.44Å; V241-W245 PolarHBondContact O-N 2.92Å; W245-D251 HydrophobicContact CH2-CB 4.18Å; W245-D251 HydrophobicContact CZ2-CB 4.25Å; W245-I253 HydrophobicContact CE3-CG1 3.82Å; W245-I253 HydrophobicContact CZ3-CG1 4.43Å; W245-I273 HydrophobicContact CZ3-CD1 3.93Å; W245-W295 AromaticContact CD1-CH2 3.63Å; W245-W295 AromaticContact CD1-CZ3 3.65Å; W245-W295 HydrophobicContact CD2-CZ3 4.16Å; W245-W295 AromaticContact CE2-CZ3 3.84Å; W245-W295 HydrophobicContact CG-CH2 4.28Å; W245-W295 HydrophobicContact CG-CZ3 4.05Å; W245-W295 AromaticContact NE1-CH2 3.8Å; W245-W295 AromaticContact NE1-CZ3 3.5Å; W245-T298 HydrophobicContact CZ2-CG2 4.12Å; W245-W299 AromaticContact CD2-NE1 3.65Å; W245-W299 AromaticContact CE3-CD1 3.78Å; W245-W299 AromaticContact CE3-NE1 3.24Å; W245-W299 AromaticContact CH2-CD1 3.41Å; W245-W299 VanDerWaalsContact CH2-CD1 3.41Å; W245-W299 AromaticContact CH2-NE1 3.66Å; W245-W299 AromaticContact CZ3-CD1 3.24Å; W245-W299 HydrophobicContact CZ3-CG 4.47Å; W245-W299 AromaticContact CZ3-NE1 3.25Å; W245-W299 VanDerWaalsContact CZ3-NE1 3.25Å; W245-Y302 HydrophobicContact CH2-CD2 4.27Å; W245-Y302 HydrophobicContact CH2-CG 4.4Å
246A98.5Very high98.7Very high33 Ų3328.6 Ų28.627%0.27317%0.173SC..SBendtrans47.441.9179.600000116.5D248 A250 G252A246-D248 PolarHBondContact O-N 3.47Å; A246-A250 VanDerWaalsContact CA-O 3.26Å; A246-A250 WeakPolarHBondContact CA-O 3.11Å; A246-G252 PolarHBondContact N-O 2.85Å
247P98.3Very high98.6Very high54 Ų5428.6 Ų28.635%0.35117%0.173SC..THydrogen-bonded Turntrans-77.8-8.3-169.834.6-37.8000113.6A244 V254 P263A244-P247 VanDerWaalsContact O-CD 3.28Å; A244-P247 WeakPolarHBondContact O-CD 3.4Å; P247-V254 HydrophobicContact CG-CG1 3.62Å; P247-V254 HydrophobicContact CG-CG2 4.11Å; P247-P263 HydrophobicContact CB-CG 3.75Å; P247-P263 HydrophobicContact CG-CG 3.51Å
248D98.2Very high98.6Very high40 Ų4030.1 Ų30.121%0.21418%0.181CC..THydrogen-bonded Turntrans-134.621.5-163.165.8-8.3000113.4A246 R266 R268A246-D248 PolarHBondContact O-N 3.47Å; D248-R266 IonicContact OD2-CZ 3.38Å; D248-R266 IonicContact OD2-NE 2.62Å; D248-R266 PolarHBondContact OD2-NE 3.48Å; D248-R266 IonicContact OD2-NH2 2.78Å; D248-R266 PolarHBondContact OD2-NH2 3.42Å; D248-R268 IonicContact OD1-CZ 3.61Å; D248-R268 IonicContact OD1-NH1 2.85Å; D248-R268 IonicContact OD1-NH2 3.2Å; D248-R268 PolarHBondContact OD1-NH2 3.38Å; D248-R268 IonicContact OD2-CZ 3.47Å; D248-R268 IonicContact OD2-NH1 3.68Å; D248-R268 PolarHBondContact OD2-NH1 2.94Å; D248-R268 IonicContact OD2-NH2 3.28Å; D248-R268 PolarHBondContact OD2-NH2 3.1Å
249G98Very high98.6Very high84 Ų8428.5 Ų28.587%0.86617%0.169SC*.SBendtrans94.10173.300000115.8
250A98.5Very high98.5Very high24 Ų2435.3 Ų35.320%0.19820%0.201CC..SBendtrans-136.7147.1175.100000111.4A246 R268A246-A250 VanDerWaalsContact CA-O 3.26Å; A246-A250 WeakPolarHBondContact CA-O 3.11Å; A250-R268 PolarHBondContact O-NH2 3.42Å
251D98.7Very high98.5Very high78 Ų7835.8 Ų35.842%0.41721%0.206SC..SBendtrans-57160.4178.2-62.6-25.3000112.7W245 R268 Y302 N323W245-D251 HydrophobicContact CH2-CB 4.18Å; W245-D251 HydrophobicContact CZ2-CB 4.25Å; D251-R268 PolarHBondContact O-NE 3.1Å; D251-Y302 HydrophobicContact CB-CD2 3.68Å; D251-Y302 HydrophobicContact CB-CE2 3.91Å; D251-N323 PolarHBondContact O-ND2 3.07Å; D251-N323 PolarHBondContact O-OD1 3.21Å
252G98.7Very high98.5Very high0 Ų041.2 Ų41.20%023%0.227CC..SBendtrans110.7164.117700000113.3A246A246-G252 PolarHBondContact N-O 2.85Å
253I98.8Very high98.5Very high4 Ų437 Ų372%0.02122%0.215CC..BIsolated β-bridgetrans-95.5119.7178.8-60.3-175.5000109.3T240 A244 W245 R268 P272 I273 A276T240-I253 HydrophobicContact CG2-CD1 4.39Å; A244-I253 HydrophobicContact CB-CG2 3.89Å; A244-I253 VanDerWaalsContact O-CA 3.28Å; A244-I253 WeakPolarHBondContact O-CA 3.21Å; W245-I253 HydrophobicContact CE3-CG1 3.82Å; W245-I253 HydrophobicContact CZ3-CG1 4.43Å; I253-R268 WeakPolarHBondContact O-CG 3.5Å; I253-P272 HydrophobicContact CB-CB 4.27Å; I253-P272 HydrophobicContact CG2-CB 3.84Å; I253-I273 HydrophobicContact CD1-CB 4.23Å; I253-I273 HydrophobicContact CD1-CG1 4.35Å; I253-I273 HydrophobicContact CG1-CB 4.49Å; I253-A276 HydrophobicContact CD1-CB 3.71Å
254V98.8Very high98.4Very high0 Ų039 Ų390%023%0.228CC..  trans-65.9151.4173-62.70000111.2A244 P247 V257 P263 R266A244-V254 HydrophobicContact CB-CG2 3.97Å; A244-V254 PolarHBondContact O-N 2.86Å; A244-V254 VanDerWaalsContact O-N 3.09Å; P247-V254 HydrophobicContact CG-CG1 3.62Å; P247-V254 HydrophobicContact CG-CG2 4.11Å; V254-V257 HydrophobicContact CG2-CG1 4.01Å; V254-P263 HydrophobicContact CB-CB 4.47Å; V254-P263 HydrophobicContact CG1-CB 4.23Å; V254-P263 HydrophobicContact CG1-CG 4.42Å; V254-P263 HydrophobicContact CG2-CB 4.17Å; V254-P263 HydrophobicContact CG2-CG 4.23Å; V254-R266 HydrophobicContact CG1-CB 4.46Å
255Y98.5Very high98.4Very high2 Ų239.3 Ų39.31%0.00823%0.229CC..SBendtrans-69.4-46.3-175.6-174.9-125.8000113.3R193 A196 T200 P201 V265 E267 V269 W271 V329R193-Y255 PolarHBondContact O-OH 3.21Å; A196-Y255 HydrophobicContact CB-CE1 3.97Å; T200-Y255 HydrophobicContact CG2-CD2 4.24Å; T200-Y255 HydrophobicContact CG2-CE2 4Å; T200-Y255 WeakPolarHBondContact CG2-O 3.28Å; P201-Y255 VanDerWaalsContact CD-O 3.25Å; P201-Y255 WeakPolarHBondContact CD-O 3.17Å; Y255-V265 HydrophobicContact CD1-CB 3.99Å; Y255-V265 HydrophobicContact CD1-CG1 3.79Å; Y255-V265 HydrophobicContact CD1-CG2 4.5Å; Y255-V265 HydrophobicContact CG-CG1 4.33Å; Y255-V265 PolarHBondContact N-O 2.89Å; Y255-E267 WeakPolarHBondContact CB-O 3.43Å; Y255-E267 PolarHBondContact N-O 3.48Å; Y255-E267 VanDerWaalsContact N-O 3.12Å; Y255-V269 HydrophobicContact CD2-CB 3.96Å; Y255-V269 HydrophobicContact CD2-CG2 3.54Å; Y255-V269 HydrophobicContact CE2-CB 4.44Å; Y255-V269 HydrophobicContact CE2-CG2 4.04Å; Y255-V269 HydrophobicContact CG-CG2 3.87Å; Y255-W271 AromaticContact CE2-CZ2 3.96Å; Y255-W271 HydrophobicContact CE2-CZ2 3.96Å; Y255-V329 HydrophobicContact CD1-CG1 4.32Å; Y255-V329 HydrophobicContact CD1-CG2 4.1Å; Y255-V329 HydrophobicContact CE1-CG1 3.76Å; Y255-V329 HydrophobicContact CE1-CG2 4.3Å
256T98.5Very high98.4Very high0 Ų042.3 Ų42.30%024%0.241CC..  trans-139.9157.4178.661.50000114.3A196 G199 V264 V265A196-T256 HydrophobicContact CB-CG2 3.46Å; A196-T256 VanDerWaalsContact CB-CG2 3.46Å; G199-T256 VanDerWaalsContact O-CA 3.3Å; G199-T256 WeakPolarHBondContact O-CA 3.25Å; T256-V264 PolarHBondContact O-N 2.9Å; T256-V265 PolarHBondContact N-O 3.44Å; T256-V265 WeakPolarHBondContact OG1-CB 3.37Å; T256-V265 WeakPolarHBondContact OG1-CG2 3.49Å; T256-V265 PolarHBondContact OG1-N 3.34Å; T256-V265 VanDerWaalsContact OG1-N 3.14Å
257V98.5Very high98.4Very high0 Ų041.8 Ų41.80%023%0.233CC..BIsolated β-bridgetrans-132.4155.6173.7-59.30000111.1G198 G199 P201 W204 D243 V254 K262G198-V257 WeakPolarHBondContact CA-O 3.45Å; G199-V257 PolarHBondContact N-O 2.99Å; G199-V257 PolarHBondContact O-N 3.29Å; P201-V257 HydrophobicContact CG-CG1 4.14Å; P201-V257 HydrophobicContact CG-CG2 4.1Å; W204-V257 HydrophobicContact CH2-CG2 3.42Å; W204-V257 VanDerWaalsContact CH2-CG2 3.42Å; W204-V257 HydrophobicContact CZ2-CG2 3.7Å; D243-V257 HydrophobicContact CB-CG1 4.34Å; V254-V257 HydrophobicContact CG2-CG1 4.01Å; V257-K262 CarbonylContact C-O 3.26Å; V257-K262 WeakPolarHBondContact CA-O 3.44Å; V257-K262 WeakPolarHBondContact CB-O 3.42Å
258D98.3Very high98.4Very high31 Ų3139.4 Ų39.417%0.16622%0.217CC..  trans-76-178.6169.665.918.4000112.1F197 E260 G261 K262 V264F197-D258 HydrophobicContact CE1-CB 4.34Å; D258-E260 PolarHBondContact O-N 3.21Å; D258-E260 PolarHBondContact OD1-N 2.87Å; D258-E260 VanDerWaalsContact OD1-N 3.12Å; D258-G261 PolarHBondContact O-N 3.08Å; D258-G261 PolarHBondContact OD1-N 3.17Å; D258-K262 PolarHBondContact N-O 3.3Å; D258-K262 WeakPolarHBondContact OD1-CB 3.23Å; D258-K262 PolarHBondContact OD1-N 3.39Å; D258-K262 WeakPolarHBondContact OD2-CB 3.41Å; D258-V264 HydrophobicContact CB-CG2 4.07Å
259W97.8Very high98.4Very high44 Ų4437.7 Ų37.717%0.16721%0.208CC..THydrogen-bonded Turntrans-73.1-11.4-176-58.9116.5000113.6R170 N172 P183 G198R170-W259 HydrophobicContact CB-CE3 4.41Å; R170-W259 HydrophobicContact CB-CZ3 4.43Å; R170-W259 PolarHBondContact NH1-O 3.09Å; N172-W259 HydrophobicContact CB-CH2 4.12Å; N172-W259 HydrophobicContact CB-CZ3 4.46Å; N172-W259 WeakPolarHBondContact ND2-CH2 3.3Å; P183-W259 PolarHBondContact O-NE1 3.38Å; G198-W259 VanDerWaalsContact O-CH2 3.29Å; G198-W259 WeakPolarHBondContact O-CH2 3.38Å
260E98Very high98.5Very high146 Ų14633.7 Ų33.768%0.68217%0.166SC*.THydrogen-bonded Turntrans-89.2-10.6169.7-65.773.7-160.400112.6R170 D258R170-E260 VanDerWaalsContact CZ-C 3.44Å; R170-E260 PolarHBondContact NH2-O 2.77Å; D258-E260 PolarHBondContact O-N 3.21Å; D258-E260 PolarHBondContact OD1-N 2.87Å; D258-E260 VanDerWaalsContact OD1-N 3.12Å
261G98.2Very high98.5Very high11 Ų1133.2 Ų33.211%0.11316%0.159CC..SBendtrans91.115.5-18000000114D258D258-G261 PolarHBondContact O-N 3.08Å; D258-G261 PolarHBondContact OD1-N 3.17Å
262K98.5Very high98.5Very high143 Ų14329.5 Ų29.562%0.62214%0.14SC*.  trans-86.1134.7177.5-179.1-175.3176.7-173.80110.3V257 D258 V264V257-K262 CarbonylContact C-O 3.26Å; V257-K262 WeakPolarHBondContact CA-O 3.44Å; V257-K262 WeakPolarHBondContact CB-O 3.42Å; D258-K262 PolarHBondContact N-O 3.3Å; D258-K262 WeakPolarHBondContact OD1-CB 3.23Å; D258-K262 PolarHBondContact OD1-N 3.39Å; D258-K262 WeakPolarHBondContact OD2-CB 3.41Å; K262-V264 PolarHBondContact O-N 3.43Å
263P98.5Very high98.5Very high33 Ų3329.7 Ų29.721%0.21414%0.141CC..BIsolated β-bridgetrans-55.6132.5177.2-27.535000114.1P247 V254 R266P247-P263 HydrophobicContact CB-CG 3.75Å; P247-P263 HydrophobicContact CG-CG 3.51Å; V254-P263 HydrophobicContact CB-CB 4.47Å; V254-P263 HydrophobicContact CG1-CB 4.23Å; V254-P263 HydrophobicContact CG1-CG 4.42Å; V254-P263 HydrophobicContact CG2-CB 4.17Å; V254-P263 HydrophobicContact CG2-CG 4.23Å; P263-R266 HydrophobicContact CB-CG 3.94Å
264V98.1Very high98.5Very high55 Ų5529.5 Ų29.533%0.33314%0.14SC..SBendtrans-107.6-63.6174178.60000109.9P190 F197 T256 D258 K262P190-V264 HydrophobicContact CB-CG1 3.94Å; F197-V264 HydrophobicContact CD1-CG1 4.24Å; F197-V264 HydrophobicContact CD1-CG2 4.23Å; F197-V264 HydrophobicContact CE1-CG2 4.13Å; T256-V264 PolarHBondContact O-N 2.9Å; D258-V264 HydrophobicContact CB-CG2 4.07Å; K262-V264 PolarHBondContact O-N 3.43Å
265V98.1Very high98.5Very high5 Ų529.5 Ų29.53%0.0314%0.14CC..SBendtrans-98.9107.9173.5-175.90000108.4P190 A191 Y255 T256 E267 V329P190-V265 HydrophobicContact CB-CG2 4.42Å; A191-V265 HydrophobicContact CB-CG1 4.44Å; A191-V265 HydrophobicContact CB-CG2 3.98Å; Y255-V265 HydrophobicContact CD1-CB 3.99Å; Y255-V265 HydrophobicContact CD1-CG1 3.79Å; Y255-V265 HydrophobicContact CD1-CG2 4.5Å; Y255-V265 HydrophobicContact CG-CG1 4.33Å; Y255-V265 PolarHBondContact N-O 2.89Å; T256-V265 PolarHBondContact N-O 3.44Å; T256-V265 WeakPolarHBondContact OG1-CB 3.37Å; T256-V265 WeakPolarHBondContact OG1-CG2 3.49Å; T256-V265 PolarHBondContact OG1-N 3.34Å; T256-V265 VanDerWaalsContact OG1-N 3.14Å; V265-E267 HydrophobicContact CG1-CB 4.41Å; V265-E267 WeakPolarHBondContact CG1-OE2 3.48Å; V265-V329 HydrophobicContact CG1-CG2 3.92Å
266R98.7Very high98.5Very high102 Ų10229.4 Ų29.439%0.38514%0.139SC..  trans-88.6-4.2-171-67.7176.759-165.9-5114D248 V254 P263 R268 A321D248-R266 IonicContact OD2-CZ 3.38Å; D248-R266 IonicContact OD2-NE 2.62Å; D248-R266 PolarHBondContact OD2-NE 3.48Å; D248-R266 IonicContact OD2-NH2 2.78Å; D248-R266 PolarHBondContact OD2-NH2 3.42Å; V254-R266 HydrophobicContact CG1-CB 4.46Å; P263-R266 HydrophobicContact CB-CG 3.94Å; R266-R268 WeakPolarHBondContact O-CD 3.31Å; R266-R268 PolarHBondContact O-NH1 3.42Å; R266-A321 HydrophobicContact CB-CB 4.05Å
267E98.7Very high98.5Very high22 Ų2229.4 Ų29.410%0.10314%0.139CC..  trans-60.6140.6174.4-74.268.4-15600111Y255 V265 V269 E318 L319 T326 K328Y255-E267 WeakPolarHBondContact CB-O 3.43Å; Y255-E267 PolarHBondContact N-O 3.48Å; Y255-E267 VanDerWaalsContact N-O 3.12Å; V265-E267 HydrophobicContact CG1-CB 4.41Å; V265-E267 WeakPolarHBondContact CG1-OE2 3.48Å; E267-V269 PolarHBondContact O-N 2.64Å; E267-E318 HydrophobicContact CB-CG 4.11Å; E267-E318 WeakPolarHBondContact CB-OE1 3.32Å; E267-E318 HydrophobicContact CG-CG 4.46Å; E267-E318 WeakPolarHBondContact CG-OE1 3.49Å; E267-L319 CarbonylContact C-O 3.59Å; E267-L319 VanDerWaalsContact CA-O 3.25Å; E267-L319 WeakPolarHBondContact CA-O 3.45Å; E267-L319 WeakPolarHBondContact CB-O 3.46Å; E267-T326 HydrophobicContact CG-CG2 4.2Å; E267-K328 HydrophobicContact CG-CB 4.44Å; E267-K328 HydrophobicContact CG-CD 3.81Å; E267-K328 WeakPolarHBondContact OE1-CD 3.33Å; E267-K328 WeakPolarHBondContact OE1-CE 3.42Å; E267-K328 IonicContact OE1-NZ 3.11Å; E267-K328 PolarHBondContact OE1-NZ 3.24Å; E267-K328 WeakPolarHBondContact OE2-CD 3.46Å; E267-K328 IonicContact OE2-NZ 3.47Å; E267-K328 PolarHBondContact OE2-NZ 3.26Å
268R98.7Very high98.6Very high4 Ų429.4 Ų29.42%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-91.786.2173.8-81.961.3170.2171.32.2107.6D248 A250 D251 I253 R266 Y302 L319D248-R268 IonicContact OD1-CZ 3.61Å; D248-R268 IonicContact OD1-NH1 2.85Å; D248-R268 IonicContact OD1-NH2 3.2Å; D248-R268 PolarHBondContact OD1-NH2 3.38Å; D248-R268 IonicContact OD2-CZ 3.47Å; D248-R268 IonicContact OD2-NH1 3.68Å; D248-R268 PolarHBondContact OD2-NH1 2.94Å; D248-R268 IonicContact OD2-NH2 3.28Å; D248-R268 PolarHBondContact OD2-NH2 3.1Å; A250-R268 PolarHBondContact O-NH2 3.42Å; D251-R268 PolarHBondContact O-NE 3.1Å; I253-R268 WeakPolarHBondContact O-CG 3.5Å; R266-R268 WeakPolarHBondContact O-CD 3.31Å; R266-R268 PolarHBondContact O-NH1 3.42Å; R268-Y302 WeakPolarHBondContact CG-OH 3.49Å; R268-L319 HydrophobicContact CB-CB 4.13Å; R268-L319 PolarHBondContact N-O 3.06Å; R268-L319 PolarHBondContact O-N 2.87Å
269V98.6Very high98.6Very high3 Ų327.9 Ų27.92%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-63.4148167.5-177.80000107.9Y255 E267 W271 P272 E318 V329Y255-V269 HydrophobicContact CD2-CB 3.96Å; Y255-V269 HydrophobicContact CD2-CG2 3.54Å; Y255-V269 HydrophobicContact CE2-CB 4.44Å; Y255-V269 HydrophobicContact CE2-CG2 4.04Å; Y255-V269 HydrophobicContact CG-CG2 3.87Å; E267-V269 PolarHBondContact O-N 2.64Å; V269-W271 HydrophobicContact CG1-CG 4.36Å; V269-P272 HydrophobicContact CB-CG 4.4Å; V269-P272 VanDerWaalsContact O-CD 3.25Å; V269-P272 WeakPolarHBondContact O-CD 3.49Å; V269-E318 HydrophobicContact CG2-CG 4.36Å; V269-V329 HydrophobicContact CG2-CB 4.29Å; V269-V329 HydrophobicContact CG2-CG1 4.4Å; V269-V329 HydrophobicContact CG2-CG2 4.41Å
270R98.8Very high98.6Very high1 Ų125.8 Ų25.80%0.00412%0.123CC..Hα-helixtrans-66.7-44.9-174.1-177.2-169.359.5172.54.8113.8I273 V274 L307 W315 W316 Q317 D335R270-I273 WeakPolarHBondContact O-CG2 3.47Å; R270-V274 HydrophobicContact CG-CG2 4.21Å; R270-V274 WeakPolarHBondContact O-CG2 3.35Å; R270-V274 PolarHBondContact O-N 3.15Å; R270-L307 HydrophobicContact CB-CD2 4.34Å; R270-L307 HydrophobicContact CG-CD1 4.33Å; R270-L307 HydrophobicContact CG-CD2 4.42Å; R270-W315 HydrophobicContact CG-CB 4.43Å; R270-W315 HydrophobicContact CG-CE3 4.32Å; R270-W316 WeakPolarHBondContact CB-O 3.4Å; R270-W316 WeakPolarHBondContact CD-O 3.47Å; R270-Q317 WeakPolarHBondContact CB-O 3.35Å; R270-Q317 PolarHBondContact N-O 3.28Å; R270-D335 VanDerWaalsContact CZ-O 3.26Å; R270-D335 PolarHBondContact NH1-O 3.22Å; R270-D335 PolarHBondContact NH2-O 2.96Å; R270-D335 IonicContact NH2-OD2 3.46Å; R270-D335 PolarHBondContact NH2-OD2 3.39Å; R270-D335 VanDerWaalsContact NH2-OD2 3.11Å
271W98.6Very high98.7Very high13 Ų1320.4 Ų20.45%0.04910%0.097CC..Hα-helixtrans-67.3-33.9-168.270.5-98.2000114.6T200 G202 H203 Y255 V269 I273 V274 E275 H338T200-W271 HydrophobicContact CG2-CH2 3.79Å; T200-W271 HydrophobicContact CG2-CZ2 3.76Å; G202-W271 VanDerWaalsContact C-CH2 3.5Å; G202-W271 VanDerWaalsContact CA-CZ3 3.44Å; H203-W271 HydrophobicContact CB-CH2 4.5Å; H203-W271 AromaticContact CD2-CH2 3.11Å; H203-W271 WeakPolarHBondContact CD2-CH2 3.28Å; H203-W271 AromaticContact CD2-CZ2 3.93Å; H203-W271 AromaticContact CD2-CZ3 3.52Å; H203-W271 AromaticContact CG-CH2 3.75Å; H203-W271 AromaticContact NE2-CH2 3.4Å; H203-W271 WeakPolarHBondContact NE2-CH2 3.45Å; H203-W271 AromaticContact NE2-CZ2 3.71Å; Y255-W271 AromaticContact CE2-CZ2 3.96Å; Y255-W271 HydrophobicContact CE2-CZ2 3.96Å; V269-W271 HydrophobicContact CG1-CG 4.36Å; W271-I273 PolarHBondContact O-N 3.47Å; W271-V274 WeakPolarHBondContact O-CB 3.4Å; W271-V274 PolarHBondContact O-N 3.14Å; W271-V274 VanDerWaalsContact O-N 3.14Å; W271-E275 HydrophobicContact CE3-CG 3.89Å; W271-E275 HydrophobicContact CZ3-CG 4.35Å; W271-E275 WeakPolarHBondContact O-CG 3.45Å; W271-E275 PolarHBondContact O-N 3.04Å; W271-H338 HydrophobicContact CB-CB 4.16Å
272P98.8Very high98.7Very high0 Ų019.9 Ų19.90%09%0.091CC..Hα-helixtrans-55-44.5177.7-30.138.3000114.4I253 V269 A276I253-P272 HydrophobicContact CB-CB 4.27Å; I253-P272 HydrophobicContact CG2-CB 3.84Å; V269-P272 HydrophobicContact CB-CG 4.4Å; V269-P272 VanDerWaalsContact O-CD 3.25Å; V269-P272 WeakPolarHBondContact O-CD 3.49Å; P272-A276 WeakPolarHBondContact O-CB 3.21Å; P272-A276 PolarHBondContact O-N 3.44Å
273I98.9Very high98.7Very high4 Ų413 Ų132%0.0216%0.062CC..Hα-helixtrans-74.6-32.4179-163.4175.6000112.1W245 I253 R270 W271 E275 A276 M277 W299 Y302 L307W245-I273 HydrophobicContact CZ3-CD1 3.93Å; I253-I273 HydrophobicContact CD1-CB 4.23Å; I253-I273 HydrophobicContact CD1-CG1 4.35Å; I253-I273 HydrophobicContact CG1-CB 4.49Å; R270-I273 WeakPolarHBondContact O-CG2 3.47Å; W271-I273 PolarHBondContact O-N 3.47Å; I273-E275 VanDerWaalsContact C-N 3.34Å; I273-A276 WeakPolarHBondContact O-CB 3.46Å; I273-A276 PolarHBondContact O-N 3.49Å; I273-M277 VanDerWaalsContact O-CG 3.28Å; I273-M277 WeakPolarHBondContact O-CG 3.46Å; I273-M277 PolarHBondContact O-N 2.94Å; I273-W299 HydrophobicContact CD1-CB 3.84Å; I273-W299 HydrophobicContact CD1-CG 3.93Å; I273-W299 HydrophobicContact CG1-CB 3.86Å; I273-W299 HydrophobicContact CG1-CD2 4.44Å; I273-W299 HydrophobicContact CG1-CG 3.84Å; I273-Y302 HydrophobicContact CD1-CD1 3.28Å; I273-Y302 HydrophobicContact CD1-CE1 3.82Å; I273-Y302 HydrophobicContact CD1-CG 3.86Å; I273-L307 HydrophobicContact CG2-CD1 3.62Å
274V98.9Very high98.8Very high0 Ų015.1 Ų15.10%07%0.066CC..Hα-helixtrans-62.4-43.7174169.90000110.7R270 W271 M277 G278 W315 H338 L339 C342R270-V274 HydrophobicContact CG-CG2 4.21Å; R270-V274 WeakPolarHBondContact O-CG2 3.35Å; R270-V274 PolarHBondContact O-N 3.15Å; W271-V274 WeakPolarHBondContact O-CB 3.4Å; W271-V274 PolarHBondContact O-N 3.14Å; W271-V274 VanDerWaalsContact O-N 3.14Å; V274-M277 PolarHBondContact O-N 3.03Å; V274-G278 PolarHBondContact O-N 3.43Å; V274-W315 HydrophobicContact CG2-CE3 4.39Å; V274-W315 HydrophobicContact CG2-CZ3 4.02Å; V274-H338 VanDerWaalsContact CG1-C 3.44Å; V274-H338 HydrophobicContact CG1-CB 4.08Å; V274-H338 WeakPolarHBondContact CG1-O 3.39Å; V274-L339 HydrophobicContact CG2-CD2 4Å; V274-C342 HydrophobicContact CG1-CB 4.17Å
275E98.9Very high98.8Very high0 Ų015.3 Ų15.30%07%0.067CC..Hα-helixtrans-66-40.4173.4-67.4-51.6143.900112.3I205 E206 R209 W271 I273 M277 G278 T279 H338 H341I205-E275 HydrophobicContact CG2-CB 4.09Å; E206-E275 HydrophobicContact CB-CB 4.19Å; E206-E275 HydrophobicContact CB-CG 4.04Å; E206-E275 HydrophobicContact CG-CG 4.21Å; R209-E275 IonicContact CZ-OE2 2.67Å; R209-E275 VanDerWaalsContact CZ-OE2 3.29Å; R209-E275 IonicContact NE-OE2 2.81Å; R209-E275 PolarHBondContact NE-OE2 2.94Å; R209-E275 VanDerWaalsContact NE-OE2 3.15Å; R209-E275 IonicContact NH2-OE1 2.8Å; R209-E275 IonicContact NH2-OE2 3.49Å; R209-E275 PolarHBondContact NH2-OE2 3.28Å; W271-E275 HydrophobicContact CE3-CG 3.89Å; W271-E275 HydrophobicContact CZ3-CG 4.35Å; W271-E275 WeakPolarHBondContact O-CG 3.45Å; W271-E275 PolarHBondContact O-N 3.04Å; I273-E275 VanDerWaalsContact C-N 3.34Å; E275-M277 VanDerWaalsContact C-N 3.27Å; E275-M277 PolarHBondContact O-N 2.84Å; E275-G278 PolarHBondContact O-N 3.15Å; E275-T279 PolarHBondContact O-N 2.9Å; E275-T279 PolarHBondContact O-OG1 3.07Å; E275-T279 VanDerWaalsContact O-OG1 3.1Å; E275-H338 IonicContact OE1-CE1 2.94Å; E275-H338 IonicContact OE1-CG 3.8Å; E275-H338 IonicContact OE1-ND1 2.69Å; E275-H338 PolarHBondContact OE1-ND1 3.48Å; E275-H341 IonicContact OE1-CE1 2.7Å; E275-H341 IonicContact OE1-CG 3.68Å; E275-H341 IonicContact OE1-ND1 2.71Å; E275-H341 PolarHBondContact OE1-ND1 2.95Å; E275-H341 IonicContact OE2-ND1 3.4Å; E275-H341 PolarHBondContact OE2-ND1 3.14Å
276A98.9Very high98.8Very high0 Ų017.2 Ų17.20%08%0.079CC..Hα-helixtrans-54.9-45.3176.600000111.9I205 I253 P272 I273 T279 A280 W299I205-A276 VanDerWaalsContact CD1-CA 3.48Å; I205-A276 HydrophobicContact CD1-CB 3.55Å; I205-A276 HydrophobicContact CG1-CB 4.33Å; I205-A276 HydrophobicContact CG2-CB 4.18Å; I253-A276 HydrophobicContact CD1-CB 3.71Å; P272-A276 WeakPolarHBondContact O-CB 3.21Å; P272-A276 PolarHBondContact O-N 3.44Å; I273-A276 WeakPolarHBondContact O-CB 3.46Å; I273-A276 PolarHBondContact O-N 3.49Å; A276-T279 PolarHBondContact O-N 3.39Å; A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 2.82Å; A276-W299 HydrophobicContact CB-CD2 4.2Å; A276-W299 HydrophobicContact CB-CE3 3.74Å; A276-W299 HydrophobicContact CB-CH2 3.72Å; A276-W299 HydrophobicContact CB-CZ2 4.18Å; A276-W299 HydrophobicContact CB-CZ3 3.49Å; A276-W299 VanDerWaalsContact CB-CZ3 3.49Å; A276-W299 WeakPolarHBondContact O-CZ3 3.31Å
277M98.9Very high98.8Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-62.2-42.6176-64.8154.77400112.3I273 V274 E275 T279 A280 Y281 Y296 W299 W300 C303 C342I273-M277 VanDerWaalsContact O-CG 3.28Å; I273-M277 WeakPolarHBondContact O-CG 3.46Å; I273-M277 PolarHBondContact O-N 2.94Å; V274-M277 PolarHBondContact O-N 3.03Å; E275-M277 VanDerWaalsContact C-N 3.27Å; E275-M277 PolarHBondContact O-N 2.84Å; M277-T279 VanDerWaalsContact C-N 3.34Å; M277-T279 PolarHBondContact O-N 3.23Å; M277-A280 PolarHBondContact O-N 3.31Å; M277-Y281 PolarHBondContact O-N 3.06Å; M277-Y281 VanDerWaalsContact O-N 3.08Å; M277-Y296 HydrophobicContact CB-CD2 3.84Å; M277-Y296 HydrophobicContact CB-CE2 4.04Å; M277-Y296 HydrophobicContact CG-CD2 4.42Å; M277-Y296 WeakPolarHBondContact O-CD2 3.24Å; M277-W299 HydrophobicContact CG-CB 3.59Å; M277-W299 HydrophobicContact CG-CE3 4Å; M277-W299 HydrophobicContact CG-CG 4.42Å; M277-W299 HydrophobicContact SD-CB 4.11Å; M277-W300 HydrophobicContact CE-CB 4.44Å; M277-W300 HydrophobicContact CE-CD2 3.22Å; M277-W300 HydrophobicContact CE-CE3 3.79Å; M277-W300 HydrophobicContact CE-CG 3.54Å; M277-W300 HydrophobicContact CE-CH2 3.95Å; M277-W300 HydrophobicContact CE-CZ2 3.45Å; M277-W300 VanDerWaalsContact CE-CZ2 3.45Å; M277-W300 HydrophobicContact CE-CZ3 4.12Å; M277-C303 VanDerWaalsContact SD-SG 3.68Å; M277-C342 HydrophobicContact CB-CB 3.87Å; M277-C342 HydrophobicContact CE-CB 3.72Å; M277-C342 HydrophobicContact SD-CB 4.08Å
278G98.9Very high98.7Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-60.5-42.4175.300000112.5V274 E275 Y281 A282 H341V274-G278 PolarHBondContact O-N 3.43Å; E275-G278 PolarHBondContact O-N 3.15Å; G278-Y281 PolarHBondContact O-N 3.11Å; G278-A282 PolarHBondContact O-N 3.04Å; G278-A282 VanDerWaalsContact O-N 3.1Å; G278-H341 VanDerWaalsContact CA-O 3.23Å; G278-H341 WeakPolarHBondContact CA-O 3.2Å
279T98.9Very high98.7Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-71.4-37.3178-49.50000112.4I205 R209 F237 E275 A276 M277 Y281 A282 L283I205-T279 HydrophobicContact CG1-CG2 3.84Å; I205-T279 WeakPolarHBondContact O-CG2 3.44Å; I205-T279 PolarHBondContact O-OG1 3.12Å; R209-T279 HydrophobicContact CB-CG2 4.38Å; R209-T279 WeakPolarHBondContact CB-OG1 3.45Å; F237-T279 HydrophobicContact CD2-CG2 4.05Å; E275-T279 PolarHBondContact O-N 2.9Å; E275-T279 PolarHBondContact O-OG1 3.07Å; E275-T279 VanDerWaalsContact O-OG1 3.1Å; A276-T279 PolarHBondContact O-N 3.39Å; M277-T279 VanDerWaalsContact C-N 3.34Å; M277-T279 PolarHBondContact O-N 3.23Å; T279-Y281 VanDerWaalsContact C-N 3.31Å; T279-Y281 PolarHBondContact O-N 3.11Å; T279-A282 PolarHBondContact O-N 2.77Å; T279-L283 HydrophobicContact CG2-CD1 4.04Å; T279-L283 HydrophobicContact CG2-CG 4.44Å; T279-L283 WeakPolarHBondContact O-CB 3.29Å; T279-L283 PolarHBondContact O-N 2.91Å
280A98.9Very high98.7Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-57.4-45172.100000111.3F237 A276 M277 L283 Y284 Y292 W299F237-A280 HydrophobicContact CE2-CB 3.91Å; F237-A280 HydrophobicContact CZ-CB 4.37Å; A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 2.82Å; M277-A280 PolarHBondContact O-N 3.31Å; A280-L283 PolarHBondContact O-N 2.71Å; A280-Y284 VanDerWaalsContact O-CB 3.31Å; A280-Y284 WeakPolarHBondContact O-CB 3.26Å; A280-Y284 PolarHBondContact O-N 3.26Å; A280-Y292 WeakPolarHBondContact CB-O 3.31Å; A280-Y292 WeakPolarHBondContact O-CB 3.47Å; A280-W299 HydrophobicContact CB-CE3 4.45Å; A280-W299 HydrophobicContact CB-CZ3 3.88Å
281Y98.9Very high98.7Very high32 Ų3231.6 Ų31.613%0.12516%0.162CC..Hα-helixtrans-60.4-46.7174.1170.9-100.7000112.5M277 G278 T279 L283 Y284 T285 I345 P346 I348 L350M277-Y281 PolarHBondContact O-N 3.06Å; M277-Y281 VanDerWaalsContact O-N 3.08Å; G278-Y281 PolarHBondContact O-N 3.11Å; T279-Y281 VanDerWaalsContact C-N 3.31Å; T279-Y281 PolarHBondContact O-N 3.11Å; Y281-L283 PolarHBondContact O-N 2.95Å; Y281-Y284 PolarHBondContact O-N 3.49Å; Y281-T285 WeakPolarHBondContact O-CB 3.46Å; Y281-T285 PolarHBondContact O-N 3.18Å; Y281-T285 PolarHBondContact O-OG1 2.67Å; Y281-I345 HydrophobicContact CD1-CG2 3.8Å; Y281-I345 HydrophobicContact CE1-CG2 4.25Å; Y281-I345 WeakPolarHBondContact CE1-O 3.46Å; Y281-P346 HydrophobicContact CD2-CB 3.83Å; Y281-P346 HydrophobicContact CE2-CB 4.25Å; Y281-P346 WeakPolarHBondContact CE2-O 3.42Å; Y281-P346 HydrophobicContact CG-CB 3.97Å; Y281-P346 HydrophobicContact CG-CG 4.19Å; Y281-I348 PolarHBondContact OH-O 3.47Å; Y281-L350 HydrophobicContact CE1-CD2 4.3Å
282A98.9Very high98.7Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-62.3-44.1-179.800000112.1R209 L212 G278 T279 T285 V286 L350R209-A282 HydrophobicContact CG-CB 4.44Å; L212-A282 HydrophobicContact CB-CB 4.17Å; L212-A282 HydrophobicContact CD1-CB 3.58Å; G278-A282 PolarHBondContact O-N 3.04Å; G278-A282 VanDerWaalsContact O-N 3.1Å; T279-A282 PolarHBondContact O-N 2.77Å; A282-T285 WeakPolarHBondContact O-CB 3.29Å; A282-T285 PolarHBondContact O-N 3.28Å; A282-V286 WeakPolarHBondContact O-CG2 3.43Å; A282-V286 PolarHBondContact O-N 3.43Å; A282-V286 VanDerWaalsContact O-N 3.1Å; A282-L350 HydrophobicContact CB-CD1 4.09Å; A282-L350 HydrophobicContact CB-CD2 3.77Å
283L98.9Very high98.7Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-65.6-42176.1-78.4167.8000112.1L212 L230 A233 K234 F237 T279 A280 Y281 T285 V286 T287 Y292L212-L283 HydrophobicContact CD1-CB 4.47Å; L212-L283 HydrophobicContact CD1-CD2 3.79Å; L212-L283 HydrophobicContact CD1-CG 3.76Å; L230-L283 HydrophobicContact CD1-CD2 4.17Å; A233-L283 HydrophobicContact CB-CD2 4.43Å; K234-L283 HydrophobicContact CG-CD2 3.7Å; F237-L283 HydrophobicContact CB-CD1 3.49Å; F237-L283 VanDerWaalsContact CB-CD1 3.49Å; F237-L283 HydrophobicContact CD1-CD1 4.28Å; F237-L283 HydrophobicContact CD2-CD1 3.52Å; F237-L283 HydrophobicContact CE2-CD1 4.31Å; F237-L283 HydrophobicContact CG-CD1 3.5Å; F237-L283 VanDerWaalsContact CG-CD1 3.5Å; T279-L283 HydrophobicContact CG2-CD1 4.04Å; T279-L283 HydrophobicContact CG2-CG 4.44Å; T279-L283 WeakPolarHBondContact O-CB 3.29Å; T279-L283 PolarHBondContact O-N 2.91Å; A280-L283 PolarHBondContact O-N 2.71Å; Y281-L283 PolarHBondContact O-N 2.95Å; L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 2.8Å; L283-V286 PolarHBondContact O-N 3.26Å; L283-T287 VanDerWaalsContact O-CB 3.31Å; L283-T287 WeakPolarHBondContact O-CB 3.34Å; L283-T287 VanDerWaalsContact O-CG2 3.29Å; L283-T287 WeakPolarHBondContact O-CG2 3.38Å; L283-T287 PolarHBondContact O-N 3.41Å; L283-T287 PolarHBondContact O-OG1 3.07Å; L283-Y292 HydrophobicContact CB-CD1 3.79Å; L283-Y292 HydrophobicContact CB-CD2 3.7Å; L283-Y292 HydrophobicContact CB-CE1 3.93Å; L283-Y292 HydrophobicContact CB-CE2 3.82Å; L283-Y292 HydrophobicContact CB-CG 3.68Å; L283-Y292 HydrophobicContact CD1-CD1 3.91Å; L283-Y292 HydrophobicContact CD1-CE1 3.54Å; L283-Y292 HydrophobicContact CG-CD1 4.48Å; L283-Y292 HydrophobicContact CG-CE1 4.25Å
284Y98.8Very high98.7Very high77 Ų7737.9 Ų37.930%0.30220%0.197SC..Hα-helixtrans-57.4-45.4173.3178.9-105.1000111.3A280 Y281 V286 T287 G288 D289 E293A280-Y284 VanDerWaalsContact O-CB 3.31Å; A280-Y284 WeakPolarHBondContact O-CB 3.26Å; A280-Y284 PolarHBondContact O-N 3.26Å; Y281-Y284 PolarHBondContact O-N 3.49Å; Y284-V286 PolarHBondContact O-N 2.87Å; Y284-T287 PolarHBondContact O-N 3.07Å; Y284-G288 WeakPolarHBondContact O-CA 3.44Å; Y284-G288 PolarHBondContact O-N 2.89Å; Y284-D289 WeakPolarHBondContact CD2-O 3.38Å; Y284-E293 HydrophobicContact CD2-CB 3.81Å; Y284-E293 HydrophobicContact CE2-CB 3.78Å; Y284-E293 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E293 HydrophobicContact CG-CB 4.41Å; Y284-E293 PolarHBondContact OH-OE2 2.85Å
285T98.5Very high98.7Very high59 Ų5940.9 Ų40.936%0.36221%0.209SC..Hα-helixtrans-61.4-42.2-178.8-60.30000112.1Y281 A282 L283 L350Y281-T285 WeakPolarHBondContact O-CB 3.46Å; Y281-T285 PolarHBondContact O-N 3.18Å; Y281-T285 PolarHBondContact O-OG1 2.67Å; A282-T285 WeakPolarHBondContact O-CB 3.29Å; A282-T285 PolarHBondContact O-N 3.28Å; L283-T285 VanDerWaalsContact C-N 3.3Å; L283-T285 PolarHBondContact O-N 2.8Å; T285-L350 HydrophobicContact CG2-CD1 4.33Å; T285-L350 HydrophobicContact CG2-CG 4.34Å
286V98.2Very high98.7Very high45 Ų4543.3 Ų43.327%0.27322%0.218SC..Hα-helixtrans-81.7-29.4-177.8178.20000112.6L212 L230 A282 L283 Y284 L350L212-V286 HydrophobicContact CD2-CG2 4.3Å; L230-V286 HydrophobicContact CD1-CB 4.42Å; L230-V286 HydrophobicContact CD1-CG1 3.79Å; L230-V286 HydrophobicContact CD2-CG1 3.96Å; L230-V286 HydrophobicContact CG-CG1 4.46Å; A282-V286 WeakPolarHBondContact O-CG2 3.43Å; A282-V286 PolarHBondContact O-N 3.43Å; A282-V286 VanDerWaalsContact O-N 3.1Å; L283-V286 PolarHBondContact O-N 3.26Å; Y284-V286 PolarHBondContact O-N 2.87Å; V286-L350 HydrophobicContact CG2-CD1 3.65Å
287T98.4Very high98.7Very high44 Ų4448 Ų4827%0.2724%0.24SC..Hα-helixtrans-106.4-23.7-171.266.20000114.9L230 K234 L283 Y284 D289 Y292L230-T287 HydrophobicContact CD1-CG2 4.14Å; K234-T287 VanDerWaalsContact CE-CG2 3.42Å; L283-T287 VanDerWaalsContact O-CB 3.31Å; L283-T287 WeakPolarHBondContact O-CB 3.34Å; L283-T287 VanDerWaalsContact O-CG2 3.29Å; L283-T287 WeakPolarHBondContact O-CG2 3.38Å; L283-T287 PolarHBondContact O-N 3.41Å; L283-T287 PolarHBondContact O-OG1 3.07Å; Y284-T287 PolarHBondContact O-N 3.07Å; T287-D289 PolarHBondContact O-N 3.18Å; T287-D289 WeakPolarHBondContact OG1-CB 3.23Å; T287-D289 PolarHBondContact OG1-N 3.44Å; T287-D289 VanDerWaalsContact OG1-N 3.16Å; T287-Y292 HydrophobicContact CG2-CE2 4.24Å; T287-Y292 WeakPolarHBondContact OG1-CE2 3.34Å
288G98.3Very high98.7Very high55 Ų5550.4 Ų50.457%0.56726%0.255SS*.  trans65.97.3-168.400000114.4Y284 R290Y284-G288 WeakPolarHBondContact O-CA 3.44Å; Y284-G288 PolarHBondContact O-N 2.89Å; G288-R290 PolarHBondContact O-N 2.78Å
289D98.5Very high98.7Very high67 Ų6750.5 Ų50.536%0.35826%0.255SS..  trans-81.6114.9-176.6-168.5-24.4000111.2Y284 T287 Q291 Y292Y284-D289 WeakPolarHBondContact CD2-O 3.38Å; T287-D289 PolarHBondContact O-N 3.18Å; T287-D289 WeakPolarHBondContact OG1-CB 3.23Å; T287-D289 PolarHBondContact OG1-N 3.44Å; T287-D289 VanDerWaalsContact OG1-N 3.16Å; D289-Q291 HydrophobicContact CB-CG 4.41Å; D289-Q291 PolarHBondContact O-N 3.12Å; D289-Q291 WeakPolarHBondContact OD1-CG 3.4Å; D289-Q291 PolarHBondContact OD1-N 3.09Å; D289-Q291 PolarHBondContact OD2-NE2 3.34Å; D289-Y292 HydrophobicContact CB-CD2 4Å; D289-Y292 HydrophobicContact CB-CE2 3.99Å; D289-Y292 WeakPolarHBondContact O-CD2 3.16Å; D289-Y292 PolarHBondContact O-N 3.16Å
290R98.5Very high98.7Very high186 Ų18653.2 Ų53.270%0.70227%0.266SS*.Hα-helixtrans-59.4-19-177.8-71.4-170.3173.3-165.3-3.4114.2G288 Y292 E293 T294G288-R290 PolarHBondContact O-N 2.78Å; R290-Y292 PolarHBondContact O-N 2.78Å; R290-E293 PolarHBondContact O-N 3.47Å; R290-E293 VanDerWaalsContact O-N 3.16Å; R290-T294 PolarHBondContact O-N 3.09Å; R290-T294 PolarHBondContact O-OG1 2.81Å
291Q98.6Very high98.7Very high81 Ų8160 Ų6038%0.37930%0.297SS..Hα-helixtrans-56.9-35.5177.274.8178.1-73.600112.5D289 T294 W295D289-Q291 HydrophobicContact CB-CG 4.41Å; D289-Q291 PolarHBondContact O-N 3.12Å; D289-Q291 WeakPolarHBondContact OD1-CG 3.4Å; D289-Q291 PolarHBondContact OD1-N 3.09Å; D289-Q291 PolarHBondContact OD2-NE2 3.34Å; Q291-T294 WeakPolarHBondContact O-CB 3.37Å; Q291-T294 PolarHBondContact O-N 3.43Å; Q291-W295 VanDerWaalsContact O-CD1 3.24Å; Q291-W295 PolarHBondContact O-N 3.25Å
292Y98.8Very high98.7Very high7 Ų758.8 Ų58.83%0.02729%0.293CS..Hα-helixtrans-72.7-36.6-179.6-59.7-61.8000111.8F237 A280 L283 T287 D289 R290 W295 Y296F237-Y292 HydrophobicContact CD1-CD1 4.1Å; F237-Y292 AromaticContact CD1-CE1 3.72Å; F237-Y292 HydrophobicContact CD1-CE1 3.72Å; F237-Y292 AromaticContact CE1-CD1 3.72Å; F237-Y292 HydrophobicContact CE1-CD1 3.72Å; F237-Y292 AromaticContact CE1-CE1 3.76Å; F237-Y292 HydrophobicContact CE1-CE1 3.76Å; F237-Y292 HydrophobicContact CE2-CD1 4.17Å; F237-Y292 HydrophobicContact CG-CE1 4.19Å; F237-Y292 AromaticContact CZ-CD1 3.75Å; F237-Y292 HydrophobicContact CZ-CD1 3.75Å; F237-Y292 HydrophobicContact CZ-CE1 4.23Å; A280-Y292 WeakPolarHBondContact CB-O 3.31Å; A280-Y292 WeakPolarHBondContact O-CB 3.47Å; L283-Y292 HydrophobicContact CB-CD1 3.79Å; L283-Y292 HydrophobicContact CB-CD2 3.7Å; L283-Y292 HydrophobicContact CB-CE1 3.93Å; L283-Y292 HydrophobicContact CB-CE2 3.82Å; L283-Y292 HydrophobicContact CB-CG 3.68Å; L283-Y292 HydrophobicContact CD1-CD1 3.91Å; L283-Y292 HydrophobicContact CD1-CE1 3.54Å; L283-Y292 HydrophobicContact CG-CD1 4.48Å; L283-Y292 HydrophobicContact CG-CE1 4.25Å; T287-Y292 HydrophobicContact CG2-CE2 4.24Å; T287-Y292 WeakPolarHBondContact OG1-CE2 3.34Å; D289-Y292 HydrophobicContact CB-CD2 4Å; D289-Y292 HydrophobicContact CB-CE2 3.99Å; D289-Y292 WeakPolarHBondContact O-CD2 3.16Å; D289-Y292 PolarHBondContact O-N 3.16Å; R290-Y292 PolarHBondContact O-N 2.78Å; Y292-W295 PolarHBondContact O-N 3.41Å; Y292-Y296 WeakPolarHBondContact O-CB 3.48Å; Y292-Y296 PolarHBondContact O-N 3.13Å
293E98.8Very high98.7Very high65 Ų6558.8 Ų58.830%0.30429%0.293SS..Hα-helixtrans-64.1-40.5172.1-176.1176-166.100111.5Y284 R290 W295 Y296 Q297Y284-E293 HydrophobicContact CD2-CB 3.81Å; Y284-E293 HydrophobicContact CE2-CB 3.78Å; Y284-E293 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E293 HydrophobicContact CG-CB 4.41Å; Y284-E293 PolarHBondContact OH-OE2 2.85Å; R290-E293 PolarHBondContact O-N 3.47Å; R290-E293 VanDerWaalsContact O-N 3.16Å; E293-W295 PolarHBondContact O-N 3.1Å; E293-Y296 WeakPolarHBondContact O-CB 3.46Å; E293-Y296 PolarHBondContact O-N 2.84Å; E293-Q297 WeakPolarHBondContact O-CG 3.35Å; E293-Q297 PolarHBondContact O-N 3.14Å
294T98.8Very high98.7Very high78 Ų7863.3 Ų63.348%0.47932%0.316SS..Hα-helixtrans-60.1-44.8174.2-57.20000111.9R290 Q291 Q297 T298R290-T294 PolarHBondContact O-N 3.09Å; R290-T294 PolarHBondContact O-OG1 2.81Å; Q291-T294 WeakPolarHBondContact O-CB 3.37Å; Q291-T294 PolarHBondContact O-N 3.43Å; T294-Q297 PolarHBondContact O-N 3.16Å; T294-T298 WeakPolarHBondContact O-CB 3.28Å; T294-T298 PolarHBondContact O-N 3.09Å; T294-T298 PolarHBondContact O-OG1 3.49Å
295W98.8Very high98.7Very high63 Ų6366.4 Ų66.424%0.23933%0.331CS..Hα-helixtrans-61.9-45.9174.5-82.9117.8000112.2F237 V241 W245 Q291 Y292 E293 Q297 T298 W299F237-W295 AromaticContact CE1-CD1 3.81Å; F237-W295 HydrophobicContact CE1-CG 4.33Å; F237-W295 HydrophobicContact CZ-CB 4.03Å; F237-W295 AromaticContact CZ-CD1 3.84Å; F237-W295 AromaticContact CZ-CG 3.99Å; F237-W295 HydrophobicContact CZ-CG 3.99Å; V241-W295 HydrophobicContact CG1-CH2 3.77Å; V241-W295 HydrophobicContact CG1-CZ2 3.49Å; V241-W295 VanDerWaalsContact CG1-CZ2 3.49Å; V241-W295 HydrophobicContact CG2-CZ2 4.37Å; W245-W295 AromaticContact CD1-CH2 3.63Å; W245-W295 AromaticContact CD1-CZ3 3.65Å; W245-W295 HydrophobicContact CD2-CZ3 4.16Å; W245-W295 AromaticContact CE2-CZ3 3.84Å; W245-W295 HydrophobicContact CG-CH2 4.28Å; W245-W295 HydrophobicContact CG-CZ3 4.05Å; W245-W295 AromaticContact NE1-CH2 3.8Å; W245-W295 AromaticContact NE1-CZ3 3.5Å; Q291-W295 VanDerWaalsContact O-CD1 3.24Å; Q291-W295 PolarHBondContact O-N 3.25Å; Y292-W295 PolarHBondContact O-N 3.41Å; E293-W295 PolarHBondContact O-N 3.1Å; W295-Q297 VanDerWaalsContact C-N 3.32Å; W295-Q297 PolarHBondContact O-N 3.12Å; W295-T298 WeakPolarHBondContact O-CB 3.31Å; W295-T298 PolarHBondContact O-N 3.39Å; W295-W299 HydrophobicContact CB-CE3 4.28Å; W295-W299 HydrophobicContact CB-CH2 3.97Å; W295-W299 HydrophobicContact CB-CZ2 4.22Å; W295-W299 HydrophobicContact CB-CZ3 3.97Å; W295-W299 HydrophobicContact CD2-CH2 4.47Å; W295-W299 HydrophobicContact CD2-CZ2 4.03Å; W295-W299 AromaticContact CE3-CE2 3.69Å; W295-W299 HydrophobicContact CE3-CH2 4.47Å; W295-W299 AromaticContact CE3-CZ2 3.65Å; W295-W299 HydrophobicContact CE3-CZ2 3.65Å; W295-W299 AromaticContact CE3-NE1 3.69Å; W295-W299 HydrophobicContact CG-CH2 4.28Å; W295-W299 HydrophobicContact CG-CZ2 4.3Å; W295-W299 HydrophobicContact CZ3-CZ2 4.35Å; W295-W299 PolarHBondContact O-N 2.89Å
296Y98.9Very high98.7Very high51 Ų5166.4 Ų66.420%0.232%0.324CS..Hα-helixtrans-55-46.5176.5176.7-97.4000112.1M277 Y292 E293 W299 W300 P346M277-Y296 HydrophobicContact CB-CD2 3.84Å; M277-Y296 HydrophobicContact CB-CE2 4.04Å; M277-Y296 HydrophobicContact CG-CD2 4.42Å; M277-Y296 WeakPolarHBondContact O-CD2 3.24Å; Y292-Y296 WeakPolarHBondContact O-CB 3.48Å; Y292-Y296 PolarHBondContact O-N 3.13Å; E293-Y296 WeakPolarHBondContact O-CB 3.46Å; E293-Y296 PolarHBondContact O-N 2.84Å; Y296-W299 PolarHBondContact O-N 2.9Å; Y296-W300 AromaticContact CD1-CD1 3.7Å; Y296-W300 AromaticContact CE1-CD1 3.33Å; Y296-W300 AromaticContact CE1-NE1 3.29Å; Y296-W300 VanDerWaalsContact CE1-NE1 3.29Å; Y296-W300 AromaticContact CE2-CD1 3.92Å; Y296-W300 AromaticContact CE2-NE1 3.41Å; Y296-W300 AromaticContact CZ-CD1 3.47Å; Y296-W300 VanDerWaalsContact CZ-CD1 3.47Å; Y296-W300 AromaticContact CZ-NE1 2.92Å; Y296-W300 PolarHBondContact O-N 3.11Å; Y296-W300 PolarHBondContact OH-NE1 2.58Å; Y296-P346 HydrophobicContact CE2-CB 4.39Å; Y296-P346 HydrophobicContact CE2-CG 3.83Å; Y296-P346 WeakPolarHBondContact OH-CG 3.09Å
297Q98.9Very high98.7Very high97 Ų9764.3 Ų64.345%0.45331%0.312SS..Hα-helixtrans-64.4-44.9176.7-69.9169.51.900112E293 T294 W295 W299 W300 E301E293-Q297 WeakPolarHBondContact O-CG 3.35Å; E293-Q297 PolarHBondContact O-N 3.14Å; T294-Q297 PolarHBondContact O-N 3.16Å; W295-Q297 VanDerWaalsContact C-N 3.32Å; W295-Q297 PolarHBondContact O-N 3.12Å; Q297-W299 VanDerWaalsContact C-N 3.28Å; Q297-W299 PolarHBondContact O-N 3.17Å; Q297-W300 WeakPolarHBondContact O-CB 3.45Å; Q297-W300 PolarHBondContact O-N 3.2Å; Q297-W300 VanDerWaalsContact O-N 3.15Å; Q297-E301 PolarHBondContact O-N 3.19Å
298T98.8Very high98.8Very high52 Ų5264.1 Ų64.132%0.31931%0.309SS..Hα-helixtrans-57.4-42.4177.6-590000111.5W245 T294 W295 E301 Y302W245-T298 HydrophobicContact CZ2-CG2 4.12Å; T294-T298 WeakPolarHBondContact O-CB 3.28Å; T294-T298 PolarHBondContact O-N 3.09Å; T294-T298 PolarHBondContact O-OG1 3.49Å; W295-T298 WeakPolarHBondContact O-CB 3.31Å; W295-T298 PolarHBondContact O-N 3.39Å; T298-E301 PolarHBondContact O-N 3.41Å; T298-Y302 PolarHBondContact O-N 2.94Å; T298-Y302 VanDerWaalsContact O-N 3.14Å
299W98.9Very high98.8Very high1 Ų162 Ų620%0.00428%0.284CS..Hα-helixtrans-73.7-31.3178.2-64.6-28.7000113.4I205 F237 V241 W245 I273 A276 M277 A280 W295 Y296 Q297 Y302 C303I205-W299 HydrophobicContact CD1-CH2 4.17Å; F237-W299 HydrophobicContact CE1-CH2 4.47Å; F237-W299 AromaticContact CE2-CH2 3.58Å; F237-W299 HydrophobicContact CE2-CH2 3.58Å; F237-W299 AromaticContact CE2-CZ3 3.81Å; F237-W299 HydrophobicContact CE2-CZ3 3.81Å; F237-W299 AromaticContact CZ-CH2 3.49Å; F237-W299 HydrophobicContact CZ-CH2 3.49Å; F237-W299 VanDerWaalsContact CZ-CH2 3.49Å; F237-W299 AromaticContact CZ-CZ3 3.97Å; F237-W299 HydrophobicContact CZ-CZ3 3.97Å; V241-W299 HydrophobicContact CG2-CH2 4.4Å; V241-W299 HydrophobicContact CG2-CZ2 4.15Å; W245-W299 AromaticContact CD2-NE1 3.65Å; W245-W299 AromaticContact CE3-CD1 3.78Å; W245-W299 AromaticContact CE3-NE1 3.24Å; W245-W299 AromaticContact CH2-CD1 3.41Å; W245-W299 VanDerWaalsContact CH2-CD1 3.41Å; W245-W299 AromaticContact CH2-NE1 3.66Å; W245-W299 AromaticContact CZ3-CD1 3.24Å; W245-W299 HydrophobicContact CZ3-CG 4.47Å; W245-W299 AromaticContact CZ3-NE1 3.25Å; W245-W299 VanDerWaalsContact CZ3-NE1 3.25Å; I273-W299 HydrophobicContact CD1-CB 3.84Å; I273-W299 HydrophobicContact CD1-CG 3.93Å; I273-W299 HydrophobicContact CG1-CB 3.86Å; I273-W299 HydrophobicContact CG1-CD2 4.44Å; I273-W299 HydrophobicContact CG1-CG 3.84Å; A276-W299 HydrophobicContact CB-CD2 4.2Å; A276-W299 HydrophobicContact CB-CE3 3.74Å; A276-W299 HydrophobicContact CB-CH2 3.72Å; A276-W299 HydrophobicContact CB-CZ2 4.18Å; A276-W299 HydrophobicContact CB-CZ3 3.49Å; A276-W299 VanDerWaalsContact CB-CZ3 3.49Å; A276-W299 WeakPolarHBondContact O-CZ3 3.31Å; M277-W299 HydrophobicContact CG-CB 3.59Å; M277-W299 HydrophobicContact CG-CE3 4Å; M277-W299 HydrophobicContact CG-CG 4.42Å; M277-W299 HydrophobicContact SD-CB 4.11Å; A280-W299 HydrophobicContact CB-CE3 4.45Å; A280-W299 HydrophobicContact CB-CZ3 3.88Å; W295-W299 HydrophobicContact CB-CE3 4.28Å; W295-W299 HydrophobicContact CB-CH2 3.97Å; W295-W299 HydrophobicContact CB-CZ2 4.22Å; W295-W299 HydrophobicContact CB-CZ3 3.97Å; W295-W299 HydrophobicContact CD2-CH2 4.47Å; W295-W299 HydrophobicContact CD2-CZ2 4.03Å; W295-W299 AromaticContact CE3-CE2 3.69Å; W295-W299 HydrophobicContact CE3-CH2 4.47Å; W295-W299 AromaticContact CE3-CZ2 3.65Å; W295-W299 HydrophobicContact CE3-CZ2 3.65Å; W295-W299 AromaticContact CE3-NE1 3.69Å; W295-W299 HydrophobicContact CG-CH2 4.28Å; W295-W299 HydrophobicContact CG-CZ2 4.3Å; W295-W299 HydrophobicContact CZ3-CZ2 4.35Å; W295-W299 PolarHBondContact O-N 2.89Å; Y296-W299 PolarHBondContact O-N 2.9Å; Q297-W299 VanDerWaalsContact C-N 3.28Å; Q297-W299 PolarHBondContact O-N 3.17Å; W299-Y302 PolarHBondContact O-N 3.4Å; W299-C303 WeakPolarHBondContact O-CB 3.12Å; W299-C303 PolarHBondContact O-N 3.45Å; W299-C303 PolarHBondContact O-SG 3.16Å
300W98.9Very high98.8Very high58 Ų5867.2 Ų67.222%0.2230%0.3CS..Hα-helixtrans-61.9-43.8169.8-93.4114000112.4M277 Y296 Q297 Y302 C303 I304 M308 W315 C342 L343M277-W300 HydrophobicContact CE-CB 4.44Å; M277-W300 HydrophobicContact CE-CD2 3.22Å; M277-W300 HydrophobicContact CE-CE3 3.79Å; M277-W300 HydrophobicContact CE-CG 3.54Å; M277-W300 HydrophobicContact CE-CH2 3.95Å; M277-W300 HydrophobicContact CE-CZ2 3.45Å; M277-W300 VanDerWaalsContact CE-CZ2 3.45Å; M277-W300 HydrophobicContact CE-CZ3 4.12Å; Y296-W300 AromaticContact CD1-CD1 3.7Å; Y296-W300 AromaticContact CE1-CD1 3.33Å; Y296-W300 AromaticContact CE1-NE1 3.29Å; Y296-W300 VanDerWaalsContact CE1-NE1 3.29Å; Y296-W300 AromaticContact CE2-CD1 3.92Å; Y296-W300 AromaticContact CE2-NE1 3.41Å; Y296-W300 AromaticContact CZ-CD1 3.47Å; Y296-W300 VanDerWaalsContact CZ-CD1 3.47Å; Y296-W300 AromaticContact CZ-NE1 2.92Å; Y296-W300 PolarHBondContact O-N 3.11Å; Y296-W300 PolarHBondContact OH-NE1 2.58Å; Q297-W300 WeakPolarHBondContact O-CB 3.45Å; Q297-W300 PolarHBondContact O-N 3.2Å; Q297-W300 VanDerWaalsContact O-N 3.15Å; W300-Y302 VanDerWaalsContact C-N 3.33Å; W300-Y302 PolarHBondContact O-N 3.06Å; W300-C303 HydrophobicContact CE3-CB 4.47Å; W300-C303 PolarHBondContact O-N 2.94Å; W300-I304 WeakPolarHBondContact O-CG2 3.14Å; W300-I304 PolarHBondContact O-N 2.8Å; W300-M308 HydrophobicContact CZ3-SD 4.49Å; W300-W315 HydrophobicContact CE3-CH2 4.34Å; W300-W315 AromaticContact CH2-CH2 3.87Å; W300-W315 HydrophobicContact CH2-CH2 3.87Å; W300-W315 AromaticContact CH2-CZ2 3.96Å; W300-W315 HydrophobicContact CH2-CZ2 3.96Å; W300-W315 AromaticContact CZ3-CH2 3.51Å; W300-W315 HydrophobicContact CZ3-CH2 3.51Å; W300-W315 AromaticContact CZ3-CZ2 3.62Å; W300-W315 HydrophobicContact CZ3-CZ2 3.62Å; W300-C342 HydrophobicContact CZ2-CB 4.23Å; W300-C342 WeakPolarHBondContact CZ2-O 3.3Å; W300-L343 HydrophobicContact CH2-CD2 3.61Å; W300-L343 HydrophobicContact CH2-CG 4.46Å; W300-L343 HydrophobicContact CZ2-CD2 4.19Å
301E98.8Very high98.8Very high141 Ų14166.4 Ų66.466%0.65930%0.304SS*.Hα-helixtrans-61-41.4175.7-69.7-176.4175.400111.9Q297 T298 I304 K305Q297-E301 PolarHBondContact O-N 3.19Å; T298-E301 PolarHBondContact O-N 3.41Å; E301-I304 VanDerWaalsContact O-CG2 3.29Å; E301-I304 WeakPolarHBondContact O-CG2 3.4Å; E301-K305 VanDerWaalsContact O-CB 3.26Å; E301-K305 WeakPolarHBondContact O-CB 3.36Å; E301-K305 PolarHBondContact O-N 3.37Å
302Y98.9Very high98.7Very high8 Ų868 Ų683%0.03132%0.315CS..Hα-helixtrans-61.8-47.8172.3175.3-82.2000111.9W245 D251 R268 I273 T298 W299 W300 I304 K305 Y306 L307 N323W245-Y302 HydrophobicContact CH2-CD2 4.27Å; W245-Y302 HydrophobicContact CH2-CG 4.4Å; D251-Y302 HydrophobicContact CB-CD2 3.68Å; D251-Y302 HydrophobicContact CB-CE2 3.91Å; R268-Y302 WeakPolarHBondContact CG-OH 3.49Å; I273-Y302 HydrophobicContact CD1-CD1 3.28Å; I273-Y302 HydrophobicContact CD1-CE1 3.82Å; I273-Y302 HydrophobicContact CD1-CG 3.86Å; T298-Y302 PolarHBondContact O-N 2.94Å; T298-Y302 VanDerWaalsContact O-N 3.14Å; W299-Y302 PolarHBondContact O-N 3.4Å; W300-Y302 VanDerWaalsContact C-N 3.33Å; W300-Y302 PolarHBondContact O-N 3.06Å; Y302-I304 PolarHBondContact O-N 2.97Å; Y302-K305 PolarHBondContact O-N 3.34Å; Y302-Y306 HydrophobicContact CD1-CD2 4.44Å; Y302-Y306 AromaticContact CD2-CD2 3.47Å; Y302-Y306 HydrophobicContact CD2-CD2 3.47Å; Y302-Y306 VanDerWaalsContact CD2-CD2 3.47Å; Y302-Y306 AromaticContact CD2-CE2 3.71Å; Y302-Y306 HydrophobicContact CD2-CE2 3.71Å; Y302-Y306 HydrophobicContact CE1-CD2 4.45Å; Y302-Y306 AromaticContact CE2-CD2 3.45Å; Y302-Y306 HydrophobicContact CE2-CD2 3.45Å; Y302-Y306 VanDerWaalsContact CE2-CD2 3.45Å; Y302-Y306 AromaticContact CE2-CE2 3.82Å; Y302-Y306 HydrophobicContact CE2-CE2 3.82Å; Y302-Y306 HydrophobicContact CE2-CG 4.37Å; Y302-Y306 AromaticContact CG-CD2 3.99Å; Y302-Y306 HydrophobicContact CG-CD2 3.99Å; Y302-Y306 AromaticContact CZ-CD2 3.97Å; Y302-Y306 WeakPolarHBondContact O-CD2 3.49Å; Y302-Y306 PolarHBondContact O-N 3.07Å; Y302-L307 HydrophobicContact CD1-CD1 4.37Å; Y302-L307 HydrophobicContact CE1-CD1 3.91Å; Y302-L307 HydrophobicContact CE1-CG 4.17Å; Y302-N323 WeakPolarHBondContact CE2-OD1 3.39Å; Y302-N323 PolarHBondContact OH-OD1 3.2Å
303C98.9Very high98.7Very high0 Ų069.3 Ų69.30%033%0.331CS..Iπ-helixtrans-61.4-46.6-175.7-72.40000112M277 W299 W300 K305 L307 M308 W315M277-C303 VanDerWaalsContact SD-SG 3.68Å; W299-C303 WeakPolarHBondContact O-CB 3.12Å; W299-C303 PolarHBondContact O-N 3.45Å; W299-C303 PolarHBondContact O-SG 3.16Å; W300-C303 HydrophobicContact CE3-CB 4.47Å; W300-C303 PolarHBondContact O-N 2.94Å; C303-K305 VanDerWaalsContact C-N 3.27Å; C303-K305 PolarHBondContact O-N 3.19Å; C303-L307 WeakPolarHBondContact O-CA 3.47Å; C303-L307 WeakPolarHBondContact O-CB 3.38Å; C303-L307 PolarHBondContact O-N 3.37Å; C303-M308 WeakPolarHBondContact O-CG 3.25Å; C303-M308 PolarHBondContact O-N 3Å; C303-W315 HydrophobicContact CB-CE3 4.38Å; C303-W315 HydrophobicContact CB-CH2 3.66Å; C303-W315 HydrophobicContact CB-CZ3 3.5Å; C303-W315 VanDerWaalsContact SG-CZ3 3.54Å
304I98.7Very high98.7Very high95 Ų9568.5 Ų68.549%0.48733%0.332SS..Iπ-helixtrans-65.2-33.4177.5-168.4170.2000112.2W300 E301 Y302 M308 Y310W300-I304 WeakPolarHBondContact O-CG2 3.14Å; W300-I304 PolarHBondContact O-N 2.8Å; E301-I304 VanDerWaalsContact O-CG2 3.29Å; E301-I304 WeakPolarHBondContact O-CG2 3.4Å; Y302-I304 PolarHBondContact O-N 2.97Å; I304-M308 VanDerWaalsContact CA-SD 3.59Å; I304-M308 HydrophobicContact CB-SD 3.75Å; I304-M308 HydrophobicContact CG1-SD 3.88Å; I304-Y310 HydrophobicContact CG1-CE2 4.45Å
305K98.7Very high98.7Very high141 Ų14165.5 Ų65.561%0.61331%0.312SS*.Iπ-helixtrans-73.4-38.3-178.7-173.9176.2178.6-169.20113.2E301 Y302 C303E301-K305 VanDerWaalsContact O-CB 3.26Å; E301-K305 WeakPolarHBondContact O-CB 3.36Å; E301-K305 PolarHBondContact O-N 3.37Å; Y302-K305 PolarHBondContact O-N 3.34Å; C303-K305 VanDerWaalsContact C-N 3.27Å; C303-K305 PolarHBondContact O-N 3.19Å
306Y98.8Very high98.7Very high59 Ų5966 Ų6623%0.23131%0.314CS..Iπ-helixtrans-123.7-28.4-168.7-57.1-68.6000115.6Y302 N323Y302-Y306 HydrophobicContact CD1-CD2 4.44Å; Y302-Y306 AromaticContact CD2-CD2 3.47Å; Y302-Y306 HydrophobicContact CD2-CD2 3.47Å; Y302-Y306 VanDerWaalsContact CD2-CD2 3.47Å; Y302-Y306 AromaticContact CD2-CE2 3.71Å; Y302-Y306 HydrophobicContact CD2-CE2 3.71Å; Y302-Y306 HydrophobicContact CE1-CD2 4.45Å; Y302-Y306 AromaticContact CE2-CD2 3.45Å; Y302-Y306 HydrophobicContact CE2-CD2 3.45Å; Y302-Y306 VanDerWaalsContact CE2-CD2 3.45Å; Y302-Y306 AromaticContact CE2-CE2 3.82Å; Y302-Y306 HydrophobicContact CE2-CE2 3.82Å; Y302-Y306 HydrophobicContact CE2-CG 4.37Å; Y302-Y306 AromaticContact CG-CD2 3.99Å; Y302-Y306 HydrophobicContact CG-CD2 3.99Å; Y302-Y306 AromaticContact CZ-CD2 3.97Å; Y302-Y306 WeakPolarHBondContact O-CD2 3.49Å; Y302-Y306 PolarHBondContact O-N 3.07Å; Y306-N323 HydrophobicContact CD1-CB 3.63Å; Y306-N323 HydrophobicContact CD2-CB 4.27Å; Y306-N323 HydrophobicContact CE1-CB 3.79Å; Y306-N323 HydrophobicContact CE2-CB 4.37Å; Y306-N323 HydrophobicContact CG-CB 3.88Å
307L98.9Very high98.7Very high1 Ų164 Ų641%0.00531%0.307CS..Iπ-helixtrans-103-39.5-173.3-70.2171.4000113.3R270 I273 Y302 C303 D309 W315 W316 L319R270-L307 HydrophobicContact CB-CD2 4.34Å; R270-L307 HydrophobicContact CG-CD1 4.33Å; R270-L307 HydrophobicContact CG-CD2 4.42Å; I273-L307 HydrophobicContact CG2-CD1 3.62Å; Y302-L307 HydrophobicContact CD1-CD1 4.37Å; Y302-L307 HydrophobicContact CE1-CD1 3.91Å; Y302-L307 HydrophobicContact CE1-CG 4.17Å; C303-L307 WeakPolarHBondContact O-CA 3.47Å; C303-L307 WeakPolarHBondContact O-CB 3.38Å; C303-L307 PolarHBondContact O-N 3.37Å; L307-D309 PolarHBondContact O-N 3.4Å; L307-W315 HydrophobicContact CB-CE3 3.88Å; L307-W315 HydrophobicContact CD1-CE3 4.37Å; L307-W315 CarbonylContact O-C 3.59Å; L307-W315 WeakPolarHBondContact O-CA 3.5Å; L307-W315 WeakPolarHBondContact O-CB 3.47Å; L307-W316 PolarHBondContact O-N 3.23Å; L307-L319 HydrophobicContact CD2-CD1 3.75Å; L307-L319 HydrophobicContact CD2-CD2 4.3Å; L307-L319 HydrophobicContact CD2-CG 3.85Å; L307-L319 HydrophobicContact CG-CD1 4.2Å
308M98.8Very high98.7Very high41 Ų4159.6 Ų59.620%0.20229%0.286CS..BIsolated β-bridgetrans-66.7117.9-176.5-66.3-176.776.900111.2W300 C303 I304 Y310 W315W300-M308 HydrophobicContact CZ3-SD 4.49Å; C303-M308 WeakPolarHBondContact O-CG 3.25Å; C303-M308 PolarHBondContact O-N 3Å; I304-M308 VanDerWaalsContact CA-SD 3.59Å; I304-M308 HydrophobicContact CB-SD 3.75Å; I304-M308 HydrophobicContact CG1-SD 3.88Å; M308-Y310 HydrophobicContact CB-CD2 4.35Å; M308-Y310 HydrophobicContact CB-CE2 3.97Å; M308-Y310 HydrophobicContact CE-CE1 4.32Å; M308-Y310 HydrophobicContact CE-CE2 4.03Å; M308-Y310 WeakPolarHBondContact CE-OH 3.34Å; M308-Y310 HydrophobicContact SD-CE2 4.46Å; M308-W315 HydrophobicContact CE-CZ2 4.23Å; M308-W315 HydrophobicContact CG-CD2 3.87Å; M308-W315 VanDerWaalsContact CG-CE2 3.45Å; M308-W315 HydrophobicContact CG-CE3 4.46Å; M308-W315 HydrophobicContact CG-CG 4.26Å; M308-W315 HydrophobicContact CG-CH2 4.34Å; M308-W315 HydrophobicContact CG-CZ2 3.71Å; M308-W315 HydrophobicContact SD-CZ2 3.97Å
309D98.7Very high98.7Very high11 Ų1157.1 Ų57.16%0.05927%0.271CS..  trans-107.986.3-179.9-177.99.2000110.3L307 E311 N312 G313 S314 W316 K333L307-D309 PolarHBondContact O-N 3.4Å; D309-E311 PolarHBondContact O-N 3.16Å; D309-E311 PolarHBondContact OD1-N 3.22Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å; D309-N312 PolarHBondContact OD1-N 3.23Å; D309-N312 PolarHBondContact OD1-ND2 3.17Å; D309-N312 WeakPolarHBondContact OD2-CB 3.4Å; D309-N312 PolarHBondContact OD2-ND2 3.06Å; D309-G313 CarbonylContact O-C 3.47Å; D309-G313 WeakPolarHBondContact O-CA 3.25Å; D309-G313 PolarHBondContact O-N 3.02Å; D309-S314 CarbonylContact C-O 3.44Å; D309-S314 PolarHBondContact N-O 3.41Å; D309-W316 HydrophobicContact CB-CD2 4.18Å; D309-W316 HydrophobicContact CB-CG 4.38Å; D309-W316 HydrophobicContact CB-CZ2 4.12Å; D309-W316 VanDerWaalsContact CG-CZ2 3.4Å; D309-W316 WeakPolarHBondContact OD2-CH2 3.4Å; D309-W316 WeakPolarHBondContact OD2-CZ2 3.37Å; D309-K333 IonicContact OD2-NZ 3.64Å; D309-K333 PolarHBondContact OD2-NZ 3.14Å
310Y98.2Very high98.7Very high176 Ų17659 Ų5969%0.6928%0.281SS*.THydrogen-bonded Turntrans-67.6-20.9177.1-71.6-80.4000113.3I304 M308I304-Y310 HydrophobicContact CG1-CE2 4.45Å; M308-Y310 HydrophobicContact CB-CD2 4.35Å; M308-Y310 HydrophobicContact CB-CE2 3.97Å; M308-Y310 HydrophobicContact CE-CE1 4.32Å; M308-Y310 HydrophobicContact CE-CE2 4.03Å; M308-Y310 WeakPolarHBondContact CE-OH 3.34Å; M308-Y310 HydrophobicContact SD-CE2 4.46Å
311E98.3Very high98.6Very high169 Ų16957.1 Ų57.179%0.7928%0.278SS*.THydrogen-bonded Turntrans-80.4-51.3-177-175.864.4-154.100111.2D309D309-E311 PolarHBondContact O-N 3.16Å; D309-E311 PolarHBondContact OD1-N 3.22Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å
312N98.3Very high98.6Very high114 Ų11455.5 Ų55.561%0.6127%0.274SS*.THydrogen-bonded Turntrans-102.42.5-177.6-39.2-87.9000113.5D309D309-N312 PolarHBondContact OD1-N 3.23Å; D309-N312 PolarHBondContact OD1-ND2 3.17Å; D309-N312 WeakPolarHBondContact OD2-CB 3.4Å; D309-N312 PolarHBondContact OD2-ND2 3.06Å
313G98.3Very high98.6Very high35 Ų3555.7 Ų55.736%0.36128%0.275SS..SBendtrans81.6157.4178.100000114.2D309 K333D309-G313 CarbonylContact O-C 3.47Å; D309-G313 WeakPolarHBondContact O-CA 3.25Å; D309-G313 PolarHBondContact O-N 3.02Å; G313-K333 PolarHBondContact O-NZ 3.42Å
314S98.5Very high98.6Very high47 Ų4761.4 Ų61.433%0.32930%0.3SS..SBendtrans57.6-155.7-173.4-166.60000111.6D309D309-S314 CarbonylContact C-O 3.44Å; D309-S314 PolarHBondContact N-O 3.41Å
315W98.8Very high98.6Very high16 Ų1660.4 Ų60.46%0.06130%0.298CS..BIsolated β-bridgetrans-118.5147.8179.7-64.624.8000108.6R270 V274 W300 C303 L307 M308 Q317 K333 L339R270-W315 HydrophobicContact CG-CB 4.43Å; R270-W315 HydrophobicContact CG-CE3 4.32Å; V274-W315 HydrophobicContact CG2-CE3 4.39Å; V274-W315 HydrophobicContact CG2-CZ3 4.02Å; W300-W315 HydrophobicContact CE3-CH2 4.34Å; W300-W315 AromaticContact CH2-CH2 3.87Å; W300-W315 HydrophobicContact CH2-CH2 3.87Å; W300-W315 AromaticContact CH2-CZ2 3.96Å; W300-W315 HydrophobicContact CH2-CZ2 3.96Å; W300-W315 AromaticContact CZ3-CH2 3.51Å; W300-W315 HydrophobicContact CZ3-CH2 3.51Å; W300-W315 AromaticContact CZ3-CZ2 3.62Å; W300-W315 HydrophobicContact CZ3-CZ2 3.62Å; C303-W315 HydrophobicContact CB-CE3 4.38Å; C303-W315 HydrophobicContact CB-CH2 3.66Å; C303-W315 HydrophobicContact CB-CZ3 3.5Å; C303-W315 VanDerWaalsContact SG-CZ3 3.54Å; L307-W315 HydrophobicContact CB-CE3 3.88Å; L307-W315 HydrophobicContact CD1-CE3 4.37Å; L307-W315 CarbonylContact O-C 3.59Å; L307-W315 WeakPolarHBondContact O-CA 3.5Å; L307-W315 WeakPolarHBondContact O-CB 3.47Å; M308-W315 HydrophobicContact CE-CZ2 4.23Å; M308-W315 HydrophobicContact CG-CD2 3.87Å; M308-W315 VanDerWaalsContact CG-CE2 3.45Å; M308-W315 HydrophobicContact CG-CE3 4.46Å; M308-W315 HydrophobicContact CG-CG 4.26Å; M308-W315 HydrophobicContact CG-CH2 4.34Å; M308-W315 HydrophobicContact CG-CZ2 3.71Å; M308-W315 HydrophobicContact SD-CZ2 3.97Å; W315-Q317 PolarHBondContact O-N 2.92Å; W315-K333 WeakPolarHBondContact O-CD 3.44Å; W315-K333 WeakPolarHBondContact O-CE 3.48Å; W315-L339 HydrophobicContact CD2-CD2 3.75Å; W315-L339 HydrophobicContact CE3-CD2 3.84Å; W315-L339 HydrophobicContact CG-CD2 4.16Å; W315-L339 HydrophobicContact CZ2-CD2 4.45Å; W315-L339 HydrophobicContact CZ3-CD2 4.21Å
316W98.8Very high98.6Very high73 Ų7355.7 Ų55.728%0.27728%0.281SS..  trans-56.2136.7170.1-64.2119.1000110.5R270 L307 D309 L319 V325 K333R270-W316 WeakPolarHBondContact CB-O 3.4Å; R270-W316 WeakPolarHBondContact CD-O 3.47Å; L307-W316 PolarHBondContact O-N 3.23Å; D309-W316 HydrophobicContact CB-CD2 4.18Å; D309-W316 HydrophobicContact CB-CG 4.38Å; D309-W316 HydrophobicContact CB-CZ2 4.12Å; D309-W316 VanDerWaalsContact CG-CZ2 3.4Å; D309-W316 WeakPolarHBondContact OD2-CH2 3.4Å; D309-W316 WeakPolarHBondContact OD2-CZ2 3.37Å; W316-L319 HydrophobicContact CB-CD2 4.17Å; W316-V325 HydrophobicContact CB-CG2 4.37Å; W316-V325 HydrophobicContact CD2-CB 4.41Å; W316-V325 HydrophobicContact CD2-CG1 3.84Å; W316-V325 HydrophobicContact CD2-CG2 3.61Å; W316-V325 HydrophobicContact CE3-CG1 3.67Å; W316-V325 HydrophobicContact CE3-CG2 4.3Å; W316-V325 HydrophobicContact CG-CG1 4.31Å; W316-V325 HydrophobicContact CG-CG2 3.6Å; W316-V325 HydrophobicContact CZ2-CG2 4.27Å; W316-V325 HydrophobicContact CZ3-CG1 4.09Å; W316-K333 VanDerWaalsContact CE3-CE 3.4Å
317Q98.6Very high98.6Very high10 Ų1057.6 Ų57.65%0.04730%0.299CS..SBendtrans-79.1-29.6-177.7175.160.522.100112.3R270 W315 W330 G332R270-Q317 WeakPolarHBondContact CB-O 3.35Å; R270-Q317 PolarHBondContact N-O 3.28Å; W315-Q317 PolarHBondContact O-N 2.92Å; Q317-W330 HydrophobicContact CG-CB 3.46Å; Q317-W330 VanDerWaalsContact CG-CB 3.46Å; Q317-W330 HydrophobicContact CG-CG 3.89Å; Q317-G332 WeakPolarHBondContact CB-O 3.46Å
318E98.7Very high98.4Very high4 Ų463.4 Ų63.42%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-152.9135.9-171.4-167179.1-173.200111.6E267 V269 T326 K328 V329 W330E267-E318 HydrophobicContact CB-CG 4.11Å; E267-E318 WeakPolarHBondContact CB-OE1 3.32Å; E267-E318 HydrophobicContact CG-CG 4.46Å; E267-E318 WeakPolarHBondContact CG-OE1 3.49Å; V269-E318 HydrophobicContact CG2-CG 4.36Å; E318-T326 HydrophobicContact CB-CG2 4.34Å; E318-T326 HydrophobicContact CG-CG2 3.71Å; E318-T326 PolarHBondContact O-N 3.31Å; E318-T326 VanDerWaalsContact O-N 3.13Å; E318-K328 WeakPolarHBondContact OE1-CB 3.47Å; E318-K328 PolarHBondContact OE2-N 3.25Å; E318-V329 VanDerWaalsContact CD-N 3.27Å; E318-V329 VanDerWaalsContact OE1-CB 3.3Å; E318-V329 WeakPolarHBondContact OE1-CB 3.22Å; E318-V329 VanDerWaalsContact OE1-CG2 3.24Å; E318-V329 WeakPolarHBondContact OE1-CG2 3.46Å; E318-V329 PolarHBondContact OE1-N 3.37Å; E318-V329 PolarHBondContact OE2-N 2.74Å; E318-W330 PolarHBondContact OE2-N 3.45Å
319L98.8Very high98.2Very high0 Ų061.7 Ų61.70%032%0.316CS..EExtended strand (participates in β ladder)trans-119.8154169.9-44172.7000110.3E267 R268 L307 W316 N323 K324 V325E267-L319 CarbonylContact C-O 3.59Å; E267-L319 VanDerWaalsContact CA-O 3.25Å; E267-L319 WeakPolarHBondContact CA-O 3.45Å; E267-L319 WeakPolarHBondContact CB-O 3.46Å; R268-L319 HydrophobicContact CB-CB 4.13Å; R268-L319 PolarHBondContact N-O 3.06Å; R268-L319 PolarHBondContact O-N 2.87Å; L307-L319 HydrophobicContact CD2-CD1 3.75Å; L307-L319 HydrophobicContact CD2-CD2 4.3Å; L307-L319 HydrophobicContact CD2-CG 3.85Å; L307-L319 HydrophobicContact CG-CD1 4.2Å; W316-L319 HydrophobicContact CB-CD2 4.17Å; L319-N323 HydrophobicContact CD1-CB 4.26Å; L319-K324 CarbonylContact C-O 3.58Å; L319-K324 WeakPolarHBondContact CA-O 3.17Å; L319-K324 WeakPolarHBondContact CB-O 3.36Å; L319-V325 HydrophobicContact CD2-CB 4.49Å; L319-V325 HydrophobicContact CD2-CG2 4.02Å
320D98.7Very high98.1Very high41 Ų4162 Ų6222%0.21932%0.317CS..  trans-73.1-177.8169.669.415.9000111.9D322 N323 K324 T326D320-D322 PolarHBondContact O-N 3.32Å; D320-D322 WeakPolarHBondContact OD1-CA 3.37Å; D320-D322 PolarHBondContact OD1-N 3.17Å; D320-N323 PolarHBondContact O-N 2.83Å; D320-N323 VanDerWaalsContact O-N 3.11Å; D320-N323 PolarHBondContact OD1-N 3.16Å; D320-K324 PolarHBondContact N-O 3.14Å; D320-K324 PolarHBondContact OD1-N 2.75Å; D320-T326 HydrophobicContact CB-CG2 4.2Å
321A98.4Very high98Very high18 Ų1859 Ų5915%0.14931%0.313CS..THydrogen-bonded Turntrans-67-14-179.700000114.2R266R266-A321 HydrophobicContact CB-CB 4.05Å
322D98.6Very high97.9Very high107 Ų10753 Ų5357%0.57230%0.296SS*.THydrogen-bonded Turntrans-100.313.9175.6-64.1-33.3000112.1D320 K324D320-D322 PolarHBondContact O-N 3.32Å; D320-D322 WeakPolarHBondContact OD1-CA 3.37Å; D320-D322 PolarHBondContact OD1-N 3.17Å; D322-K324 VanDerWaalsContact C-N 3.31Å; D322-K324 VanDerWaalsContact CB-NZ 3.26Å; D322-K324 PolarHBondContact O-N 2.89Å; D322-K324 IonicContact OD2-NZ 3.39Å; D322-K324 PolarHBondContact OD2-NZ 2.93Å
323N98.8Very high97.9Very high12 Ų1250.4 Ų50.46%0.06428%0.279CS..SBendtrans60.232.9-177.3-62.1-58.5000114.3D251 Y302 Y306 L319 D320D251-N323 PolarHBondContact O-ND2 3.07Å; D251-N323 PolarHBondContact O-OD1 3.21Å; Y302-N323 WeakPolarHBondContact CE2-OD1 3.39Å; Y302-N323 PolarHBondContact OH-OD1 3.2Å; Y306-N323 HydrophobicContact CD1-CB 3.63Å; Y306-N323 HydrophobicContact CD2-CB 4.27Å; Y306-N323 HydrophobicContact CE1-CB 3.79Å; Y306-N323 HydrophobicContact CE2-CB 4.37Å; Y306-N323 HydrophobicContact CG-CB 3.88Å; L319-N323 HydrophobicContact CD1-CB 4.26Å; D320-N323 PolarHBondContact O-N 2.83Å; D320-N323 VanDerWaalsContact O-N 3.11Å; D320-N323 PolarHBondContact OD1-N 3.16Å
324K98.7Very high97.9Very high120 Ų12050.4 Ų50.452%0.52227%0.27SS..  trans-102.1145.4169.9-56.8-175.2-167.870.90110.5L319 D320 D322 T326L319-K324 CarbonylContact C-O 3.58Å; L319-K324 WeakPolarHBondContact CA-O 3.17Å; L319-K324 WeakPolarHBondContact CB-O 3.36Å; D320-K324 PolarHBondContact N-O 3.14Å; D320-K324 PolarHBondContact OD1-N 2.75Å; D322-K324 VanDerWaalsContact C-N 3.31Å; D322-K324 VanDerWaalsContact CB-NZ 3.26Å; D322-K324 PolarHBondContact O-N 2.89Å; D322-K324 IonicContact OD2-NZ 3.39Å; D322-K324 PolarHBondContact OD2-NZ 2.93Å; K324-T326 PolarHBondContact O-N 2.94Å
325V98.7Very high97.9Very high73 Ų7348.3 Ų48.344%0.44226%0.255SS..BIsolated β-bridgetrans-55130.4179.4-177.20000110.5W316 L319W316-V325 HydrophobicContact CB-CG2 4.37Å; W316-V325 HydrophobicContact CD2-CB 4.41Å; W316-V325 HydrophobicContact CD2-CG1 3.84Å; W316-V325 HydrophobicContact CD2-CG2 3.61Å; W316-V325 HydrophobicContact CE3-CG1 3.67Å; W316-V325 HydrophobicContact CE3-CG2 4.3Å; W316-V325 HydrophobicContact CG-CG1 4.31Å; W316-V325 HydrophobicContact CG-CG2 3.6Å; W316-V325 HydrophobicContact CZ2-CG2 4.27Å; W316-V325 HydrophobicContact CZ3-CG1 4.09Å; L319-V325 HydrophobicContact CD2-CB 4.49Å; L319-V325 HydrophobicContact CD2-CG2 4.02Å
326T98.5Very high97.9Very high43 Ų4349.9 Ų49.926%0.26426%0.264SS..  trans-138.6175.5179.8-163.10000111.2E267 E318 D320 K324E267-T326 HydrophobicContact CG-CG2 4.2Å; E318-T326 HydrophobicContact CB-CG2 4.34Å; E318-T326 HydrophobicContact CG-CG2 3.71Å; E318-T326 PolarHBondContact O-N 3.31Å; E318-T326 VanDerWaalsContact O-N 3.13Å; D320-T326 HydrophobicContact CB-CG2 4.2Å; K324-T326 PolarHBondContact O-N 2.94Å
327T97.7Very high97.9Very high99 Ų9946.5 Ų46.561%0.60725%0.251SS*.  trans-141.5101.6174.7-58.40000107.2W330 D331T327-W330 WeakPolarHBondContact CG2-O 3.28Å; T327-D331 HydrophobicContact CG2-CB 4.38Å
328K96Very high97.9Very high122 Ų12246.5 Ų46.553%0.5325%0.251SS..SBendtrans-141.9-63.8-176.9-174.2-165.8-174.8-177.90111.9E267 E318E267-K328 HydrophobicContact CG-CB 4.44Å; E267-K328 HydrophobicContact CG-CD 3.81Å; E267-K328 WeakPolarHBondContact OE1-CD 3.33Å; E267-K328 WeakPolarHBondContact OE1-CE 3.42Å; E267-K328 IonicContact OE1-NZ 3.11Å; E267-K328 PolarHBondContact OE1-NZ 3.24Å; E267-K328 WeakPolarHBondContact OE2-CD 3.46Å; E267-K328 IonicContact OE2-NZ 3.47Å; E267-K328 PolarHBondContact OE2-NZ 3.26Å; E318-K328 WeakPolarHBondContact OE1-CB 3.47Å; E318-K328 PolarHBondContact OE2-N 3.25Å
329V94.1Very high97.9Very high5 Ų546.9 Ų46.93%0.0325%0.253CS..SBendtrans-75.2-44.7175.1-177.90000109.5A191 R193 Y255 V265 V269 E318A191-V329 HydrophobicContact CB-CG2 4.29Å; R193-V329 HydrophobicContact CG-CG1 4.26Å; R193-V329 VanDerWaalsContact CG-O 3.24Å; R193-V329 WeakPolarHBondContact CG-O 3.45Å; R193-V329 PolarHBondContact NE-O 2.99Å; Y255-V329 HydrophobicContact CD1-CG1 4.32Å; Y255-V329 HydrophobicContact CD1-CG2 4.1Å; Y255-V329 HydrophobicContact CE1-CG1 3.76Å; Y255-V329 HydrophobicContact CE1-CG2 4.3Å; V265-V329 HydrophobicContact CG1-CG2 3.92Å; V269-V329 HydrophobicContact CG2-CB 4.29Å; V269-V329 HydrophobicContact CG2-CG1 4.4Å; V269-V329 HydrophobicContact CG2-CG2 4.41Å; E318-V329 VanDerWaalsContact CD-N 3.27Å; E318-V329 VanDerWaalsContact OE1-CB 3.3Å; E318-V329 WeakPolarHBondContact OE1-CB 3.22Å; E318-V329 VanDerWaalsContact OE1-CG2 3.24Å; E318-V329 WeakPolarHBondContact OE1-CG2 3.46Å; E318-V329 PolarHBondContact OE1-N 3.37Å; E318-V329 PolarHBondContact OE2-N 2.74Å
330W96.1Very high97.9Very high19 Ų1947.9 Ų47.97%0.07226%0.259CS..  trans-120.4163.2-174.6-7195.6000112.3W6 R193 F194 Q317 E318 T327 Q334W6-W330 HydrophobicContact CH2-CH2 4.45Å; W6-W330 HydrophobicContact CH2-CZ3 4.25Å; W6-W330 HydrophobicContact CZ2-CZ3 4.37Å; R193-W330 HydrophobicContact CB-CH2 3.99Å; R193-W330 HydrophobicContact CB-CZ2 3.83Å; R193-W330 HydrophobicContact CB-CZ3 4.49Å; R193-W330 HydrophobicContact CG-CD2 4.2Å; R193-W330 HydrophobicContact CG-CE3 4.32Å; R193-W330 HydrophobicContact CG-CH2 4.33Å; R193-W330 HydrophobicContact CG-CZ2 4.17Å; R193-W330 HydrophobicContact CG-CZ3 4.4Å; F194-W330 AromaticContact CE1-CH2 3.95Å; F194-W330 HydrophobicContact CE1-CH2 3.95Å; F194-W330 HydrophobicContact CE2-CH2 4.27Å; F194-W330 AromaticContact CZ-CH2 3.69Å; F194-W330 HydrophobicContact CZ-CH2 3.69Å; F194-W330 HydrophobicContact CZ-CZ3 4.37Å; Q317-W330 HydrophobicContact CG-CB 3.46Å; Q317-W330 VanDerWaalsContact CG-CB 3.46Å; Q317-W330 HydrophobicContact CG-CG 3.89Å; E318-W330 PolarHBondContact OE2-N 3.45Å; T327-W330 WeakPolarHBondContact CG2-O 3.28Å; W330-Q334 VanDerWaalsContact CZ3-NE2 3.25Å
331D96.2Very high97.9Very high112 Ų11246 Ų4660%0.59925%0.249SC*.  trans-136.8116.9178.417922.9000109.2T327 Q334T327-D331 HydrophobicContact CG2-CB 4.38Å; D331-Q334 PolarHBondContact O-OE1 2.99Å
332G97.1Very high97.9Very high43 Ų4345.2 Ų45.244%0.44324%0.242SC..SBendtrans88.7-161.5-177.800000115.7Q317Q317-G332 WeakPolarHBondContact CB-O 3.46Å
333K98.3Very high97.9Very high59 Ų5944 Ų4426%0.25724%0.235SC..  trans-130.350.6-178.1-65179.6178.2170.40111.2D309 G313 W315 W316 D335D309-K333 IonicContact OD2-NZ 3.64Å; D309-K333 PolarHBondContact OD2-NZ 3.14Å; G313-K333 PolarHBondContact O-NZ 3.42Å; W315-K333 WeakPolarHBondContact O-CD 3.44Å; W315-K333 WeakPolarHBondContact O-CE 3.48Å; W316-K333 VanDerWaalsContact CE3-CE 3.4Å; K333-D335 PolarHBondContact O-N 2.9Å
334Q97.5Very high97.9Very high35 Ų3543.8 Ų43.816%0.16423%0.234CC..  trans-71.4-5.8-168.873.8-70.6-14.200115.6W6 I7 W330 D331W6-Q334 HydrophobicContact CH2-CG 3.67Å; W6-Q334 HydrophobicContact CZ2-CG 4.17Å; I7-Q334 HydrophobicContact CD1-CB 4.1Å; I7-Q334 HydrophobicContact CD1-CG 4.22Å; W330-Q334 VanDerWaalsContact CZ3-NE2 3.25Å; D331-Q334 PolarHBondContact O-OE1 2.99Å
335D98.4Very high97.9Very high4 Ų438.1 Ų38.12%0.02121%0.21CC..  trans-128.2138.7-172-177.881.6000112R10 R270 K333 Y337 H338R10-D335 WeakPolarHBondContact CD-OD1 3.39Å; R10-D335 IonicContact CZ-OD1 3.45Å; R10-D335 IonicContact NE-OD1 3.72Å; R10-D335 IonicContact NH1-OD1 3.81Å; R10-D335 PolarHBondContact NH1-OD1 3.3Å; R10-D335 IonicContact NH1-OD2 3.1Å; R270-D335 VanDerWaalsContact CZ-O 3.26Å; R270-D335 PolarHBondContact NH1-O 3.22Å; R270-D335 PolarHBondContact NH2-O 2.96Å; R270-D335 IonicContact NH2-OD2 3.46Å; R270-D335 PolarHBondContact NH2-OD2 3.39Å; R270-D335 VanDerWaalsContact NH2-OD2 3.11Å; K333-D335 PolarHBondContact O-N 2.9Å; D335-Y337 WeakPolarHBondContact OD1-CB 3.36Å; D335-Y337 PolarHBondContact OD2-N 3.48Å; D335-H338 IonicContact OD2-CD2 2.72Å; D335-H338 PolarHBondContact OD2-CD2 2.84Å; D335-H338 PolarHBondContact OD2-N 2.92Å
336I98.7Very high97.9Very high48 Ų4835.9 Ų35.925%0.24620%0.196CC..  trans-131.82167.863.2178.8000111.7M11 V14 L339M11-I336 HydrophobicContact CE-CD1 4.17Å; M11-I336 HydrophobicContact CE-CG1 3.82Å; M11-I336 HydrophobicContact SD-CD1 3.78Å; M11-I336 HydrophobicContact SD-CG1 3.76Å; V14-I336 HydrophobicContact CG1-CD1 3.8Å; V14-I336 HydrophobicContact CG1-CG1 4.05Å; V14-I336 HydrophobicContact CG2-CG1 4.22Å; I336-L339 HydrophobicContact CB-CD1 4.42Å; I336-L339 HydrophobicContact CG2-CD1 4.45Å; I336-L339 PolarHBondContact O-N 2.8Å
337Y98.9Very high98Very high3 Ų338.5 Ų38.51%0.01220%0.201CC..THydrogen-bonded Turntrans-63.1-55-176.8168.5-101.2000111.2R10 H13 V14 F70 L73 E134 D335 L339 L340 H341R10-Y337 HydrophobicContact CB-CD2 4.36Å; R10-Y337 HydrophobicContact CB-CG 4.28Å; R10-Y337 HydrophobicContact CG-CD1 4.33Å; R10-Y337 HydrophobicContact CG-CD2 4.13Å; R10-Y337 HydrophobicContact CG-CG 3.87Å; H13-Y337 AromaticContact CD2-CD2 3.45Å; H13-Y337 VanDerWaalsContact CD2-CD2 3.45Å; H13-Y337 WeakPolarHBondContact CD2-CD2 3.41Å; H13-Y337 AromaticContact CD2-CE2 3.29Å; H13-Y337 WeakPolarHBondContact CD2-CE2 3.26Å; H13-Y337 AromaticContact CG-CE2 3.87Å; H13-Y337 AromaticContact NE2-CE2 3.53Å; V14-Y337 HydrophobicContact CG2-CD2 4.25Å; F70-Y337 HydrophobicContact CE1-CD1 4.2Å; F70-Y337 AromaticContact CE1-CE1 3.82Å; F70-Y337 HydrophobicContact CE1-CE1 3.82Å; F70-Y337 HydrophobicContact CZ-CE1 4.37Å; L73-Y337 HydrophobicContact CD2-CE2 3.65Å; L73-Y337 WeakPolarHBondContact CD2-OH 3.25Å; E134-Y337 PolarHBondContact OE1-OH 2.71Å; E134-Y337 PolarHBondContact OE2-OH 2.74Å; E134-Y337 VanDerWaalsContact OE2-OH 3.07Å; D335-Y337 WeakPolarHBondContact OD1-CB 3.36Å; D335-Y337 PolarHBondContact OD2-N 3.48Å; Y337-L339 PolarHBondContact O-N 3.3Å; Y337-L339 VanDerWaalsContact O-N 3.16Å; Y337-L340 WeakPolarHBondContact O-CB 3.39Å; Y337-L340 PolarHBondContact O-N 2.81Å; Y337-H341 AromaticContact CE1-CE1 3.35Å; Y337-H341 WeakPolarHBondContact CE1-CE1 3.48Å; Y337-H341 AromaticContact CE1-NE2 3.72Å; Y337-H341 AromaticContact CZ-CE1 3.57Å; Y337-H341 AromaticContact CZ-NE2 3.47Å; Y337-H341 PolarHBondContact OH-NE2 2.79Å
338H98.8Very high98Very high9 Ų933.9 Ų33.94%0.04217%0.173CC..THydrogen-bonded Turntrans-60.1-31.7-178.3-70.1-79.1000111.6R10 E206 W271 V274 E275 D335 L340 H341R10-H338 PolarHBondContact NH1-CD2 3.47Å; R10-H338 VanDerWaalsContact NH1-CD2 3.3Å; R10-H338 PolarHBondContact NH1-NE2 2.79Å; R10-H338 PolarHBondContact NH2-NE2 3.43Å; E206-H338 IonicContact OE1-CE1 2.76Å; W271-H338 HydrophobicContact CB-CB 4.16Å; V274-H338 VanDerWaalsContact CG1-C 3.44Å; V274-H338 HydrophobicContact CG1-CB 4.08Å; V274-H338 WeakPolarHBondContact CG1-O 3.39Å; E275-H338 IonicContact OE1-CE1 2.94Å; E275-H338 IonicContact OE1-CG 3.8Å; E275-H338 IonicContact OE1-ND1 2.69Å; E275-H338 PolarHBondContact OE1-ND1 3.48Å; D335-H338 IonicContact OD2-CD2 2.72Å; D335-H338 PolarHBondContact OD2-CD2 2.84Å; D335-H338 PolarHBondContact OD2-N 2.92Å; H338-L340 PolarHBondContact O-N 3.35Å; H338-L340 VanDerWaalsContact O-N 3.1Å; H338-H341 WeakPolarHBondContact O-CA 3.43Å; H338-H341 WeakPolarHBondContact O-CB 3.42Å; H338-H341 PolarHBondContact O-N 2.89Å
339L98.9Very high98.1Very high12 Ų1229.3 Ų29.36%0.06316%0.156CC..Hα-helixtrans-58.2-28179.1-65.2177.7000112.6V274 W315 I336 Y337 H341 C342 L343V274-L339 HydrophobicContact CG2-CD2 4Å; W315-L339 HydrophobicContact CD2-CD2 3.75Å; W315-L339 HydrophobicContact CE3-CD2 3.84Å; W315-L339 HydrophobicContact CG-CD2 4.16Å; W315-L339 HydrophobicContact CZ2-CD2 4.45Å; W315-L339 HydrophobicContact CZ3-CD2 4.21Å; I336-L339 HydrophobicContact CB-CD1 4.42Å; I336-L339 HydrophobicContact CG2-CD1 4.45Å; I336-L339 PolarHBondContact O-N 2.8Å; Y337-L339 PolarHBondContact O-N 3.3Å; Y337-L339 VanDerWaalsContact O-N 3.16Å; L339-H341 PolarHBondContact O-N 3.43Å; L339-C342 PolarHBondContact O-N 2.83Å; L339-C342 PolarHBondContact O-SG 2.98Å; L339-C342 VanDerWaalsContact O-SG 3.41Å; L339-L343 HydrophobicContact CB-CD1 4.02Å; L339-L343 VanDerWaalsContact O-CB 3.23Å; L339-L343 WeakPolarHBondContact O-CB 3.42Å; L339-L343 WeakPolarHBondContact O-CG 3.29Å; L339-L343 PolarHBondContact O-N 2.98Å
340L98.8Very high98.3Very high22 Ų2229.5 Ų29.512%0.11516%0.157CC..Hα-helixtrans-63.5-24.3174-58.5-172.4000112.4V14 V17 Y337 H338 C342 L343 V344 I345 M354V14-L340 HydrophobicContact CB-CD1 4.27Å; V14-L340 HydrophobicContact CG1-CD1 4.26Å; V14-L340 HydrophobicContact CG2-CD1 3.91Å; V14-L340 HydrophobicContact CG2-CG 4.48Å; V17-L340 HydrophobicContact CB-CD1 4.13Å; V17-L340 HydrophobicContact CG1-CD1 4.31Å; V17-L340 HydrophobicContact CG2-CD1 4.09Å; Y337-L340 WeakPolarHBondContact O-CB 3.39Å; Y337-L340 PolarHBondContact O-N 2.81Å; H338-L340 PolarHBondContact O-N 3.35Å; H338-L340 VanDerWaalsContact O-N 3.1Å; L340-C342 VanDerWaalsContact C-N 3.32Å; L340-C342 PolarHBondContact O-N 2.94Å; L340-L343 PolarHBondContact O-N 3.25Å; L340-V344 HydrophobicContact CB-CB 4.46Å; L340-V344 HydrophobicContact CB-CG2 4.43Å; L340-V344 HydrophobicContact CD2-CG2 3.91Å; L340-V344 WeakPolarHBondContact O-CA 3.26Å; L340-V344 WeakPolarHBondContact O-CB 3.48Å; L340-V344 PolarHBondContact O-N 3.38Å; L340-I345 PolarHBondContact O-N 3.44Å; L340-M354 HydrophobicContact CB-CE 3.89Å; L340-M354 HydrophobicContact CB-SD 3.65Å; L340-M354 HydrophobicContact CD1-CE 3.98Å; L340-M354 HydrophobicContact CD1-SD 4.33Å
341H98.8Very high98.5Very high1 Ų129.8 Ų29.81%0.00516%0.163CC..Hα-helixtrans-75.7-20.4-178.4-53.5168.5000113.3E134 R209 E275 G278 Y337 H338 L339 I345E134-H341 IonicContact OE1-CE1 3.31Å; E134-H341 PolarHBondContact OE1-CE1 3.33Å; E134-H341 IonicContact OE1-NE2 3.53Å; R209-H341 PolarHBondContact NH2-CE1 3.42Å; R209-H341 PolarHBondContact NH2-ND1 2.97Å; E275-H341 IonicContact OE1-CE1 2.7Å; E275-H341 IonicContact OE1-CG 3.68Å; E275-H341 IonicContact OE1-ND1 2.71Å; E275-H341 PolarHBondContact OE1-ND1 2.95Å; E275-H341 IonicContact OE2-ND1 3.4Å; E275-H341 PolarHBondContact OE2-ND1 3.14Å; G278-H341 VanDerWaalsContact CA-O 3.23Å; G278-H341 WeakPolarHBondContact CA-O 3.2Å; Y337-H341 AromaticContact CE1-CE1 3.35Å; Y337-H341 WeakPolarHBondContact CE1-CE1 3.48Å; Y337-H341 AromaticContact CE1-NE2 3.72Å; Y337-H341 AromaticContact CZ-CE1 3.57Å; Y337-H341 AromaticContact CZ-NE2 3.47Å; Y337-H341 PolarHBondContact OH-NE2 2.79Å; H338-H341 WeakPolarHBondContact O-CA 3.43Å; H338-H341 WeakPolarHBondContact O-CB 3.42Å; H338-H341 PolarHBondContact O-N 2.89Å; L339-H341 PolarHBondContact O-N 3.43Å; H341-I345 HydrophobicContact CB-CD1 3.84Å; H341-I345 WeakPolarHBondContact O-CB 3.39Å
342C98.8Very high98.6Very high1 Ų126.4 Ų26.41%0.00715%0.147CC..Hα-helixtrans-104.4-19.5167.872.50000113.4V274 M277 W300 L339 L340 P346V274-C342 HydrophobicContact CG1-CB 4.17Å; M277-C342 HydrophobicContact CB-CB 3.87Å; M277-C342 HydrophobicContact CE-CB 3.72Å; M277-C342 HydrophobicContact SD-CB 4.08Å; W300-C342 HydrophobicContact CZ2-CB 4.23Å; W300-C342 WeakPolarHBondContact CZ2-O 3.3Å; L339-C342 PolarHBondContact O-N 2.83Å; L339-C342 PolarHBondContact O-SG 2.98Å; L339-C342 VanDerWaalsContact O-SG 3.41Å; L340-C342 VanDerWaalsContact C-N 3.32Å; L340-C342 PolarHBondContact O-N 2.94Å; C342-P346 WeakPolarHBondContact O-CG 3.39Å
343L98.9Very high98.6Very high82 Ų8224.6 Ų24.643%0.42913%0.129SC..Hα-helixtrans-96.2-34.2-177.2-67.8172.1000114.8W300 L339 L340W300-L343 HydrophobicContact CH2-CD2 3.61Å; W300-L343 HydrophobicContact CH2-CG 4.46Å; W300-L343 HydrophobicContact CZ2-CD2 4.19Å; L339-L343 HydrophobicContact CB-CD1 4.02Å; L339-L343 VanDerWaalsContact O-CB 3.23Å; L339-L343 WeakPolarHBondContact O-CB 3.42Å; L339-L343 WeakPolarHBondContact O-CG 3.29Å; L339-L343 PolarHBondContact O-N 2.98Å; L340-L343 PolarHBondContact O-N 3.25Å
344V98.9Very high98.7Very high7 Ų722.3 Ų22.34%0.04212%0.119CC..THydrogen-bonded Turntrans-113.6-44.2-173.3178.60000111.6V17 L340 P346 R347 M354 V358 L363V17-V344 HydrophobicContact CG1-CG1 4.32Å; L340-V344 HydrophobicContact CB-CB 4.46Å; L340-V344 HydrophobicContact CB-CG2 4.43Å; L340-V344 HydrophobicContact CD2-CG2 3.91Å; L340-V344 WeakPolarHBondContact O-CA 3.26Å; L340-V344 WeakPolarHBondContact O-CB 3.48Å; L340-V344 PolarHBondContact O-N 3.38Å; V344-P346 VanDerWaalsContact C-N 3.29Å; V344-R347 WeakPolarHBondContact O-CB 3.13Å; V344-R347 PolarHBondContact O-N 2.92Å; V344-M354 HydrophobicContact CB-SD 4.14Å; V344-M354 HydrophobicContact CG1-CG 4.12Å; V344-M354 HydrophobicContact CG1-SD 4.16Å; V344-V358 HydrophobicContact CG1-CG2 3.72Å; V344-L363 HydrophobicContact CG1-CD2 4.25Å
345I98.8Very high98.7Very high2 Ų220.7 Ų20.71%0.0111%0.111CC..G310 helixtrans-51.8-42.6178.4-72.1-175.7000112.3Y281 L340 H341 R347 I348 M354Y281-I345 HydrophobicContact CD1-CG2 3.8Å; Y281-I345 HydrophobicContact CE1-CG2 4.25Å; Y281-I345 WeakPolarHBondContact CE1-O 3.46Å; L340-I345 PolarHBondContact O-N 3.44Å; H341-I345 HydrophobicContact CB-CD1 3.84Å; H341-I345 WeakPolarHBondContact O-CB 3.39Å; I345-R347 PolarHBondContact O-N 2.68Å; I345-I348 VanDerWaalsContact O-CG1 3.26Å; I345-I348 WeakPolarHBondContact O-CG1 3.21Å; I345-I348 PolarHBondContact O-N 3.4Å; I345-M354 HydrophobicContact CG1-SD 3.91Å
346P98.8Very high98.7Very high25 Ų2521.2 Ų21.216%0.16212%0.115CC..G310 helixtrans-64.4-0.4177.4-26.338.6000116.4Y281 Y296 C342 V344Y281-P346 HydrophobicContact CD2-CB 3.83Å; Y281-P346 HydrophobicContact CE2-CB 4.25Å; Y281-P346 WeakPolarHBondContact CE2-O 3.42Å; Y281-P346 HydrophobicContact CG-CB 3.97Å; Y281-P346 HydrophobicContact CG-CG 4.19Å; Y296-P346 HydrophobicContact CE2-CB 4.39Å; Y296-P346 HydrophobicContact CE2-CG 3.83Å; Y296-P346 WeakPolarHBondContact OH-CG 3.09Å; C342-P346 WeakPolarHBondContact O-CG 3.39Å; V344-P346 VanDerWaalsContact C-N 3.29Å
347R98.8Very high98.7Very high98 Ų9818.9 Ų18.937%0.3710%0.103SC..G310 helixtrans-116.94.7-177.3-58177.663.1-168.50.2113.1V344 I345 L363 D364V344-R347 WeakPolarHBondContact O-CB 3.13Å; V344-R347 PolarHBondContact O-N 2.92Å; I345-R347 PolarHBondContact O-N 2.68Å; R347-L363 HydrophobicContact CB-CD2 3.76Å; R347-L363 CarbonylContact O-C 3.34Å; R347-L363 WeakPolarHBondContact O-CA 3.36Å; R347-D364 IonicContact CZ-OD1 3.29Å; R347-D364 IonicContact CZ-OD2 3.65Å; R347-D364 IonicContact NE-OD1 3.15Å; R347-D364 PolarHBondContact NE-OD1 2.78Å; R347-D364 IonicContact NE-OD2 3.31Å; R347-D364 VanDerWaalsContact NH2-CG 3.34Å; R347-D364 IonicContact NH2-OD1 2.66Å; R347-D364 PolarHBondContact NH2-OD1 3.01Å; R347-D364 IonicContact NH2-OD2 3.83Å; R347-D364 PolarHBondContact NH2-OD2 3.17Å; R347-D364 PolarHBondContact O-N 2.95Å
348I98.8Very high98.7Very high2 Ų219 Ų191%0.0110%0.104CC..SBendtrans-132.1155.2-177.255.5168.3000110.5Y281 I345 M354 A357 V358 L363Y281-I348 PolarHBondContact OH-O 3.47Å; I345-I348 VanDerWaalsContact O-CG1 3.26Å; I345-I348 WeakPolarHBondContact O-CG1 3.21Å; I345-I348 PolarHBondContact O-N 3.4Å; I348-M354 HydrophobicContact CD1-CB 3.95Å; I348-M354 HydrophobicContact CD1-CG 3.96Å; I348-A357 HydrophobicContact CB-CB 4.05Å; I348-A357 HydrophobicContact CD1-CB 4.09Å; I348-A357 HydrophobicContact CG2-CB 4.17Å; I348-V358 HydrophobicContact CG2-CG2 4.04Å; I348-L363 HydrophobicContact CG2-CD2 3.88Å; I348-L363 HydrophobicContact CG2-CG 4.39Å
349P98.5Very high98.7Very high27 Ų2720.7 Ų20.718%0.17512%0.12CC..  trans-63.4162.7168.429.1-35000111.3A351 L362P349-A351 VanDerWaalsContact C-N 3.28Å; P349-A351 PolarHBondContact O-N 3.06Å; P349-L362 HydrophobicContact CG-CB 4.29Å; P349-L362 HydrophobicContact CG-CD1 3.82Å
350L98.8Very high98.7Very high9 Ų923.2 Ų23.25%0.04714%0.142CC..SBendtrans-74.2-16.5177.3-63.4-178.7000113.7L212 H213 A216 Y281 A282 T285 V286L212-L350 HydrophobicContact CB-CD1 4.17Å; H213-L350 PolarHBondContact ND1-O 3.46Å; A216-L350 HydrophobicContact CB-CB 3.52Å; Y281-L350 HydrophobicContact CE1-CD2 4.3Å; A282-L350 HydrophobicContact CB-CD1 4.09Å; A282-L350 HydrophobicContact CB-CD2 3.77Å; T285-L350 HydrophobicContact CG2-CD1 4.33Å; T285-L350 HydrophobicContact CG2-CG 4.34Å; V286-L350 HydrophobicContact CG2-CD1 3.65Å
351A98.6Very high98.7Very high24 Ų2425 Ų2520%0.19817%0.166CC..SBendtrans-136.7135.7171.700000110.8A216 A220 P349A216-A351 HydrophobicContact CB-CB 3.7Å; A216-A351 WeakPolarHBondContact O-CB 3.44Å; A220-A351 HydrophobicContact CB-CB 4.15Å; P349-A351 VanDerWaalsContact C-N 3.28Å; P349-A351 PolarHBondContact O-N 3.06Å
352P98.6Very high98.7Very high41 Ų4126.6 Ų26.627%0.26617%0.174SC..SBendcis-67.9175.8-6.935.3-38.5000111.4D141 P356 A357 L362D141-P352 HydrophobicContact CB-CB 4.31Å; P352-P356 HydrophobicContact CB-CB 3.79Å; P352-P356 HydrophobicContact CG-CB 3.91Å; P352-A357 HydrophobicContact CG-CB 4.2Å; P352-L362 HydrophobicContact CG-CD1 4.49Å
353G98.3Very high98.7Very high6 Ų628.5 Ų28.56%0.06219%0.185CC..  trans-65.5177.9179.300000114D141 A355 P356 A357D141-G353 WeakPolarHBondContact OD2-CA 3.39Å; D141-G353 PolarHBondContact OD2-N 2.57Å; G353-A355 PolarHBondContact O-N 2.89Å; G353-P356 VanDerWaalsContact O-CD 3.24Å; G353-P356 WeakPolarHBondContact O-CD 3.33Å; G353-A357 VanDerWaalsContact O-CB 3.3Å; G353-A357 WeakPolarHBondContact O-CB 3.26Å; G353-A357 PolarHBondContact O-N 2.98Å
354M98.7Very high98.7Very high11 Ų1128.1 Ų28.15%0.05418%0.183CC..Hα-helixtrans-56-59.8-161.9-176.7171.255.700115.7H13 V17 L340 V344 I345 I348 A357 V358H13-M354 WeakPolarHBondContact NE2-CE 3.5Å; V17-M354 HydrophobicContact CG2-CE 4.38Å; V17-M354 HydrophobicContact CG2-CG 4.34Å; L340-M354 HydrophobicContact CB-CE 3.89Å; L340-M354 HydrophobicContact CB-SD 3.65Å; L340-M354 HydrophobicContact CD1-CE 3.98Å; L340-M354 HydrophobicContact CD1-SD 4.33Å; V344-M354 HydrophobicContact CB-SD 4.14Å; V344-M354 HydrophobicContact CG1-CG 4.12Å; V344-M354 HydrophobicContact CG1-SD 4.16Å; I345-M354 HydrophobicContact CG1-SD 3.91Å; I348-M354 HydrophobicContact CD1-CB 3.95Å; I348-M354 HydrophobicContact CD1-CG 3.96Å; M354-A357 PolarHBondContact O-N 3.29Å; M354-V358 WeakPolarHBondContact O-CG2 3.36Å; M354-V358 PolarHBondContact O-N 2.72Å
355A98.8Very high98.7Very high0 Ų031 Ų310%020%0.197CC..Hα-helixtrans-63.4-42.2-179.100000112.9V17 T80 G353 A359V17-A355 HydrophobicContact CG2-CB 3.99Å; T80-A355 HydrophobicContact CG2-CB 4.39Å; T80-A355 PolarHBondContact OG1-O 3.23Å; G353-A355 PolarHBondContact O-N 2.89Å; A355-A359 WeakPolarHBondContact O-CB 3.4Å; A355-A359 PolarHBondContact O-N 2.85Å; A355-A359 VanDerWaalsContact O-N 3.09Å
356P98.8Very high98.6Very high15 Ų1536 Ų3610%0.09722%0.224CC..Hα-helixtrans-57-46.9169.7-2934.8000114.3T80 I138 D141 V142 P352 G353 A359 A360T80-P356 HydrophobicContact CG2-CB 4.46Å; T80-P356 HydrophobicContact CG2-CG 4.01Å; I138-P356 HydrophobicContact CG2-CG 4.11Å; D141-P356 HydrophobicContact CB-CB 4.18Å; D141-P356 HydrophobicContact CB-CG 3.69Å; V142-P356 HydrophobicContact CG1-CG 4.37Å; P352-P356 HydrophobicContact CB-CB 3.79Å; P352-P356 HydrophobicContact CG-CB 3.91Å; G353-P356 VanDerWaalsContact O-CD 3.24Å; G353-P356 WeakPolarHBondContact O-CD 3.33Å; P356-A359 PolarHBondContact O-N 2.74Å; P356-A360 WeakPolarHBondContact O-CB 3.42Å; P356-A360 PolarHBondContact O-N 2.89Å
357A98.8Very high98.4Very high0 Ų038.7 Ų38.70%025%0.249CC..Hα-helixtrans-65.4-42-17700000112.3I348 P352 G353 M354 A360 G361 L362I348-A357 HydrophobicContact CB-CB 4.05Å; I348-A357 HydrophobicContact CD1-CB 4.09Å; I348-A357 HydrophobicContact CG2-CB 4.17Å; P352-A357 HydrophobicContact CG-CB 4.2Å; G353-A357 VanDerWaalsContact O-CB 3.3Å; G353-A357 WeakPolarHBondContact O-CB 3.26Å; G353-A357 PolarHBondContact O-N 2.98Å; M354-A357 PolarHBondContact O-N 3.29Å; A357-A360 PolarHBondContact O-N 2.91Å; A357-G361 PolarHBondContact O-N 3.12Å; A357-L362 HydrophobicContact CB-CB 4.45Å; A357-L362 HydrophobicContact CB-CD1 4.14Å; A357-L362 WeakPolarHBondContact O-CB 3.28Å; A357-L362 WeakPolarHBondContact O-CG 3.23Å; A357-L362 PolarHBondContact O-N 3.03Å
358V98.8Very high98.1Very high4 Ų445.5 Ų45.52%0.02428%0.281CS..Hα-helixtrans-66.3-42.2176.41780000110.8V17 A20 M21 V344 I348 M354 A360 G361 L363V17-V358 HydrophobicContact CG1-CB 4.48Å; V17-V358 HydrophobicContact CG1-CG1 4.31Å; V17-V358 HydrophobicContact CG1-CG2 4.16Å; A20-V358 HydrophobicContact CB-CB 4.37Å; A20-V358 HydrophobicContact CB-CG1 3.74Å; M21-V358 HydrophobicContact CG-CG1 3.62Å; V344-V358 HydrophobicContact CG1-CG2 3.72Å; I348-V358 HydrophobicContact CG2-CG2 4.04Å; M354-V358 WeakPolarHBondContact O-CG2 3.36Å; M354-V358 PolarHBondContact O-N 2.72Å; V358-A360 VanDerWaalsContact C-N 3.26Å; V358-A360 PolarHBondContact O-N 2.82Å; V358-G361 PolarHBondContact O-N 2.8Å; V358-L363 HydrophobicContact CG1-CD1 4.06Å; V358-L363 HydrophobicContact CG1-CG 4.44Å; V358-L363 HydrophobicContact CG2-CD2 4.32Å; V358-L363 HydrophobicContact CG2-CG 4.31Å
359A98.7Very high98Very high45 Ų4547.7 Ų47.737%0.37230%0.295SS..Hα-helixtrans-64.3-30.3175.600000113.1A20 A355 P356 G361A20-A359 HydrophobicContact CB-CB 4.09Å; A355-A359 WeakPolarHBondContact O-CB 3.4Å; A355-A359 PolarHBondContact O-N 2.85Å; A355-A359 VanDerWaalsContact O-N 3.09Å; P356-A359 PolarHBondContact O-N 2.74Å; A359-G361 PolarHBondContact O-N 3.42Å
360A98.6Very high98Very high65 Ų6548.8 Ų48.854%0.53730%0.301SS..THydrogen-bonded Turntrans-77.72.2173.300000113.9P356 A357 V358 L362P356-A360 WeakPolarHBondContact O-CB 3.42Å; P356-A360 PolarHBondContact O-N 2.89Å; A357-A360 PolarHBondContact O-N 2.91Å; V358-A360 VanDerWaalsContact C-N 3.26Å; V358-A360 PolarHBondContact O-N 2.82Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 HydrophobicContact CB-CD1 4.09Å; A360-L362 HydrophobicContact CB-CD2 4.46Å; A360-L362 HydrophobicContact CB-CG 3.86Å
361G98.5Very high98Very high60 Ų6051 Ų5162%0.61932%0.315SS*.THydrogen-bonded Turntrans72.125.5178.800000113.9A357 V358 A359 L363A357-G361 PolarHBondContact O-N 3.12Å; V358-G361 PolarHBondContact O-N 2.8Å; A359-G361 PolarHBondContact O-N 3.42Å; G361-L363 VanDerWaalsContact C-N 3.29Å; G361-L363 PolarHBondContact O-N 2.95Å
362L98.7Very high97.9Very high34 Ų3452.6 Ų52.618%0.17832%0.322CS..  trans-87.17.9-174.9-53179.9000114P349 P352 A357 A360 D364 I365P349-L362 HydrophobicContact CG-CB 4.29Å; P349-L362 HydrophobicContact CG-CD1 3.82Å; P352-L362 HydrophobicContact CG-CD1 4.49Å; A357-L362 HydrophobicContact CB-CB 4.45Å; A357-L362 HydrophobicContact CB-CD1 4.14Å; A357-L362 WeakPolarHBondContact O-CB 3.28Å; A357-L362 WeakPolarHBondContact O-CG 3.23Å; A357-L362 PolarHBondContact O-N 3.03Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 HydrophobicContact CB-CD1 4.09Å; A360-L362 HydrophobicContact CB-CD2 4.46Å; A360-L362 HydrophobicContact CB-CG 3.86Å; L362-D364 PolarHBondContact O-N 3.01Å; L362-I365 HydrophobicContact CB-CG2 4.29Å; L362-I365 HydrophobicContact CD2-CD1 3.62Å; L362-I365 WeakPolarHBondContact O-CB 3.45Å; L362-I365 VanDerWaalsContact O-CG2 3.26Å; L362-I365 WeakPolarHBondContact O-CG2 3.37Å; L362-I365 PolarHBondContact O-N 3.27Å
363L98.6Very high97.9Very high42 Ų4253.3 Ų53.322%0.2233%0.325CS..THydrogen-bonded Turntrans-59.6129.6172.6-80171.5000110.2M21 V344 R347 I348 V358 G361 I365M21-L363 HydrophobicContact CE-CD1 4.25Å; M21-L363 HydrophobicContact CG-CD1 3.96Å; V344-L363 HydrophobicContact CG1-CD2 4.25Å; R347-L363 HydrophobicContact CB-CD2 3.76Å; R347-L363 CarbonylContact O-C 3.34Å; R347-L363 WeakPolarHBondContact O-CA 3.36Å; I348-L363 HydrophobicContact CG2-CD2 3.88Å; I348-L363 HydrophobicContact CG2-CG 4.39Å; V358-L363 HydrophobicContact CG1-CD1 4.06Å; V358-L363 HydrophobicContact CG1-CG 4.44Å; V358-L363 HydrophobicContact CG2-CD2 4.32Å; V358-L363 HydrophobicContact CG2-CG 4.31Å; G361-L363 VanDerWaalsContact C-N 3.29Å; G361-L363 PolarHBondContact O-N 2.95Å; L363-I365 PolarHBondContact O-N 3.1Å
364D98.5Very high97.9Very high74 Ų7456.5 Ų56.540%0.39634%0.343SS..THydrogen-bonded Turntrans62.516178.8-47.4-38.7000114.3R347 L362 N366 A367R347-D364 IonicContact CZ-OD1 3.29Å; R347-D364 IonicContact CZ-OD2 3.65Å; R347-D364 IonicContact NE-OD1 3.15Å; R347-D364 PolarHBondContact NE-OD1 2.78Å; R347-D364 IonicContact NE-OD2 3.31Å; R347-D364 VanDerWaalsContact NH2-CG 3.34Å; R347-D364 IonicContact NH2-OD1 2.66Å; R347-D364 PolarHBondContact NH2-OD1 3.01Å; R347-D364 IonicContact NH2-OD2 3.83Å; R347-D364 PolarHBondContact NH2-OD2 3.17Å; R347-D364 PolarHBondContact O-N 2.95Å; L362-D364 PolarHBondContact O-N 3.01Å; D364-N366 PolarHBondContact O-N 3.28Å; D364-N366 VanDerWaalsContact O-N 3.09Å; D364-A367 HydrophobicContact CB-CB 4.21Å; D364-A367 WeakPolarHBondContact O-CB 3.42Å; D364-A367 PolarHBondContact O-N 3.38Å
365I98.4Very high97.8Very high66 Ų6659.7 Ų59.734%0.33836%0.363SS..THydrogen-bonded Turntrans-59.4-27.2-177-167.9167000113.9L362 L363 K368L362-I365 HydrophobicContact CB-CG2 4.29Å; L362-I365 HydrophobicContact CD2-CD1 3.62Å; L362-I365 WeakPolarHBondContact O-CB 3.45Å; L362-I365 VanDerWaalsContact O-CG2 3.26Å; L362-I365 WeakPolarHBondContact O-CG2 3.37Å; L362-I365 PolarHBondContact O-N 3.27Å; L363-I365 PolarHBondContact O-N 3.1Å; I365-K368 WeakPolarHBondContact O-CE 3.48Å
366N96.7Very high97.7Very high107 Ų10764.3 Ų64.357%0.57239%0.391SS*.THydrogen-bonded Turntrans-95.5-4.1178.3-68.3-24.6000113.3D364 K368D364-N366 PolarHBondContact O-N 3.28Å; D364-N366 VanDerWaalsContact O-N 3.09Å; N366-K368 VanDerWaalsContact C-N 3.28Å; N366-K368 PolarHBondContact O-N 3.24Å; N366-K368 VanDerWaalsContact O-N 3.14Å
367A96.2Very high97.6Very high83 Ų8368.4 Ų68.469%0.68642%0.416SS*.  trans-8867.2175.600000110.2D364D364-A367 HydrophobicContact CB-CB 4.21Å; D364-A367 WeakPolarHBondContact O-CB 3.42Å; D364-A367 PolarHBondContact O-N 3.38Å
368K91.3Very high97.5Very high241 Ų24174.6 Ų74.6100%1.04845%0.454SS*.  trans-104.70-174.7-72.4-178.5173.9164.60113.9I365 N366I365-K368 WeakPolarHBondContact O-CE 3.48Å; N366-K368 VanDerWaalsContact C-N 3.28Å; N366-K368 PolarHBondContact O-N 3.24Å; N366-K368 VanDerWaalsContact O-N 3.14Å

Retrieved 368 of 368 residues in 175.5 ms (Link to these results)

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