A0A077Z362_TRITR Loading...

Dentin matrix protein 4

AlphaFold DB , UniProt , Accession A0A077Z362, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 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
1R59.4Low68.6Low223 Ų22386.7 Ų86.784%0.84242%0.415SS*.  0-55.60-67.7-175.3-169.2-176.74.2112.4L3 H4R1-L3 VanDerWaalsContact C-N 3.28Å; R1-L3 PolarHBondContact O-N 3.38Å; R1-H4 VanDerWaalsContact O-CB 3.26Å; R1-H4 WeakPolarHBondContact O-CB 3.42Å; R1-H4 PolarHBondContact O-N 2.87Å
2N70.3Confident68Low132 Ų13297.1 Ų97.171%0.70645%0.447SS*.Hα-helixtrans-52.3-41.5178.7-65.8-2000114.1H4 T5 Q6N2-H4 VanDerWaalsContact C-N 3.25Å; N2-H4 PolarHBondContact O-N 3.26Å; N2-T5 PolarHBondContact O-N 3.35Å; N2-Q6 WeakPolarHBondContact O-CG 3.49Å; N2-Q6 PolarHBondContact O-N 2.95Å
3L74.1Confident67.7Low34 Ų34105.5 Ų105.518%0.17847%0.472CS..Hα-helixtrans-60.4-32.2176.8-170.563.8000113.3R1 Q6 I7 I324 I373 Y380 L384R1-L3 VanDerWaalsContact C-N 3.28Å; R1-L3 PolarHBondContact O-N 3.38Å; L3-Q6 PolarHBondContact O-N 3.3Å; L3-I7 HydrophobicContact CD1-CG1 4.45Å; L3-I7 HydrophobicContact CD2-CD1 4.39Å; L3-I7 HydrophobicContact CG-CD1 3.86Å; L3-I7 HydrophobicContact CG-CG1 4.26Å; L3-I7 WeakPolarHBondContact O-CD1 3.36Å; L3-I7 WeakPolarHBondContact O-CG1 3.17Å; L3-I7 PolarHBondContact O-N 2.87Å; L3-I324 HydrophobicContact CD2-CD1 3.82Å; L3-I324 HydrophobicContact CG-CD1 4.22Å; L3-I373 HydrophobicContact CD1-CD1 4.19Å; L3-I373 HydrophobicContact CD2-CD1 3.57Å; L3-Y380 HydrophobicContact CD1-CD2 3.95Å; L3-Y380 HydrophobicContact CD1-CG 3.76Å; L3-L384 HydrophobicContact CD1-CD1 3.86Å; L3-L384 HydrophobicContact CD2-CD1 4.43Å; L3-L384 HydrophobicContact CG-CD1 4.34Å
4H70.4Confident67.8Low43 Ų43100.6 Ų100.620%0.19946%0.457CS..Hα-helixtrans-62.9-48-178.3-171.172.1000111.6R1 N2 Q6 I7 I324 N325R1-H4 VanDerWaalsContact O-CB 3.26Å; R1-H4 WeakPolarHBondContact O-CB 3.42Å; R1-H4 PolarHBondContact O-N 2.87Å; N2-H4 VanDerWaalsContact C-N 3.25Å; N2-H4 PolarHBondContact O-N 3.26Å; H4-Q6 VanDerWaalsContact C-N 3.31Å; H4-Q6 PolarHBondContact O-N 2.97Å; H4-I7 PolarHBondContact O-N 2.89Å; H4-I324 HydrophobicContact CB-CG2 4.15Å; H4-N325 PolarHBondContact CE1-OD1 2.71Å; H4-N325 PolarHBondContact ND1-OD1 2.93Å
5T69.5Low68.5Low93 Ų9395.1 Ų95.157%0.57144%0.435SS*.Hα-helixtrans-63.8-38.8177.1-48.40000111.3N2 L8N2-T5 PolarHBondContact O-N 3.35Å; T5-L8 WeakPolarHBondContact O-CB 3.49Å; T5-L8 PolarHBondContact O-N 2.91Å
6Q73.4Confident69.1Low66 Ų6698.1 Ų98.131%0.30845%0.446SS..Hα-helixtrans-67.4-35.1179-71.7170.9-1300112.9N2 L3 H4 L8 Q9 Y380N2-Q6 WeakPolarHBondContact O-CG 3.49Å; N2-Q6 PolarHBondContact O-N 2.95Å; L3-Q6 PolarHBondContact O-N 3.3Å; H4-Q6 VanDerWaalsContact C-N 3.31Å; H4-Q6 PolarHBondContact O-N 2.97Å; Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.02Å; Q6-Q9 WeakPolarHBondContact O-CB 3.33Å; Q6-Q9 PolarHBondContact O-N 3.05Å; Q6-Y380 HydrophobicContact CB-CD2 4.48Å; Q6-Y380 HydrophobicContact CB-CE1 4.29Å; Q6-Y380 HydrophobicContact CB-CE2 3.76Å; Q6-Y380 VanDerWaalsContact CD-CE1 3.43Å; Q6-Y380 HydrophobicContact CG-CE1 4.17Å; Q6-Y380 HydrophobicContact CG-CE2 4.48Å
7I75.4Confident69.9Low0 Ų096.6 Ų96.60%045%0.451CS..Hα-helixtrans-65.8-31.6178.7-71163000112.1L3 H4 Q9 L10 P317 A320 R321 I324 L384L3-I7 HydrophobicContact CD1-CG1 4.45Å; L3-I7 HydrophobicContact CD2-CD1 4.39Å; L3-I7 HydrophobicContact CG-CD1 3.86Å; L3-I7 HydrophobicContact CG-CG1 4.26Å; L3-I7 WeakPolarHBondContact O-CD1 3.36Å; L3-I7 WeakPolarHBondContact O-CG1 3.17Å; L3-I7 PolarHBondContact O-N 2.87Å; H4-I7 PolarHBondContact O-N 2.89Å; I7-Q9 PolarHBondContact O-N 2.67Å; I7-Q9 VanDerWaalsContact O-N 3.15Å; I7-L10 WeakPolarHBondContact O-CA 3.04Å; I7-L10 WeakPolarHBondContact O-CB 3.47Å; I7-L10 PolarHBondContact O-N 3.05Å; I7-P317 HydrophobicContact CG2-CB 3.93Å; I7-P317 WeakPolarHBondContact CG2-O 3.46Å; I7-A320 HydrophobicContact CD1-CB 3.94Å; I7-R321 HydrophobicContact CG2-CB 3.8Å; I7-R321 HydrophobicContact CG2-CG 4.3Å; I7-I324 HydrophobicContact CD1-CD1 3.82Å; I7-L384 HydrophobicContact CD1-CD1 3.85Å; I7-L384 HydrophobicContact CG1-CD1 3.59Å
8L69.7Low70.6Confident79 Ų7996.4 Ų96.441%0.41445%0.449SS..Hα-helixtrans-54.5-35.3176.7-72.2170.3000112T5 Q6 L10 Q11 R321T5-L8 WeakPolarHBondContact O-CB 3.49Å; T5-L8 PolarHBondContact O-N 2.91Å; Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.02Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.34Å; L8-Q11 PolarHBondContact O-N 3.04Å; L8-R321 VanDerWaalsContact CD2-NH1 3.31Å
9Q64.9Low71.5Confident148 Ų14894.1 Ų94.169%0.69244%0.44SS*.THydrogen-bonded Turntrans-71-20178-60.5177.4-17.600113.2Q6 I7Q6-Q9 WeakPolarHBondContact O-CB 3.33Å; Q6-Q9 PolarHBondContact O-N 3.05Å; I7-Q9 PolarHBondContact O-N 2.67Å; I7-Q9 VanDerWaalsContact O-N 3.15Å
10L66.4Low72.3Confident41 Ų4191.2 Ų91.222%0.21543%0.43CS..THydrogen-bonded Turntrans-90.9-2.9-179.7-62.2177.2000113.3I7 L8 R12 P317 Y380 L384I7-L10 WeakPolarHBondContact O-CA 3.04Å; I7-L10 WeakPolarHBondContact O-CB 3.47Å; I7-L10 PolarHBondContact O-N 3.05Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.34Å; L10-R12 PolarHBondContact O-N 3.43Å; L10-P317 HydrophobicContact CB-CB 3.94Å; L10-P317 HydrophobicContact CB-CG 3.97Å; L10-P317 HydrophobicContact CD1-CB 4.32Å; L10-P317 HydrophobicContact CD1-CG 4.12Å; L10-Y380 HydrophobicContact CD1-CD2 4.31Å; L10-Y380 HydrophobicContact CD1-CE2 4.15Å; L10-L384 HydrophobicContact CD1-CB 3.98Å
11Q60.8Low72.8Confident95 Ų9586.8 Ų86.844%0.44441%0.41SS..  trans-75.970.3-174.8-62.7-162.6-57.500112.8L8L8-Q11 PolarHBondContact O-N 3.04Å
12R62Low73.7Confident211 Ų21182.2 Ų82.280%0.79640%0.398SS*.  trans-91156.5160.4-65.5-175.6-179.9-176.90.3109.3L10 S14 Q386L10-R12 PolarHBondContact O-N 3.43Å; R12-S14 PolarHBondContact O-N 3.16Å; R12-Q386 PolarHBondContact O-NE2 2.59Å
13R64Low73.7Confident206 Ų20679.5 Ų79.578%0.77739%0.389SS*.  trans-54.8130.2175.3-67.2-174.6180-170.80.9109.7C15R13-C15 VanDerWaalsContact C-N 3.29Å
14S68.7Low73.2Confident37 Ų3780.6 Ų80.626%0.25940%0.397SS..SBendtrans-67.9-36.3176.147.70000111.5R12 R387R12-S14 PolarHBondContact O-N 3.16Å; S14-R387 PolarHBondContact O-NH1 3.34Å
15C78.7Confident72.9Confident18 Ų1882.4 Ų82.412%0.12240%0.402CS..  trans-84.1132.7176.3-143.10000110.8R13 S17 C46R13-C15 VanDerWaalsContact C-N 3.29Å; C15-S17 PolarHBondContact SG-O 3.47Å; C15-C46 HydrophobicContact CB-CB 3.57Å; C15-C46 WeakPolarHBondContact CB-SG 3.43Å; C15-C46 VanDerWaalsContact SG-CA 3.6Å; C15-C46 WeakPolarHBondContact SG-CB 3.01Å; C15-C46 CovalentContact SG-SG 2Å; C15-C46 PolarHBondContact SG-SG 3.33Å
16K77.8Confident72.3Confident143 Ų14386.6 Ų86.662%0.62242%0.416SS*.SBendtrans-74.3-42.2176.9-92.1179.4177.2169.10112.3R387K16-R387 VanDerWaalsContact CD-CZ 3.48Å
17S82.3Confident71.1Confident74 Ų7489 Ų8952%0.51744%0.439SS..SBendtrans-145.8141.5-179.153.80000107.6C15 N45 C46C15-S17 PolarHBondContact SG-O 3.47Å; S17-N45 PolarHBondContact O-ND2 2.01Å; S17-N45 PolarHBondContact O-OD1 3.36Å; S17-C46 PolarHBondContact O-SG 3.44Å
18E83.6Confident70Confident92 Ų9294 Ų9443%0.4347%0.47SS..  trans-108.8118.9179.6-171.9164.9-164.600108.1S44 N45E18-S44 PolarHBondContact OE1-OG 2.79Å; E18-N45 WeakPolarHBondContact CA-OD1 3.37Å
19L86.7Confident69Low53 Ų5396 Ų9628%0.27749%0.487SS..  trans-123.5124.1176.8-173.176000107.5S23 T24 S44 N45 F278 V281L19-S23 WeakPolarHBondContact CD1-OG 3.47Å; L19-S23 WeakPolarHBondContact CG-OG 3.45Å; L19-T24 HydrophobicContact CD2-CG2 3.83Å; L19-T24 HydrophobicContact CG-CG2 4.22Å; L19-S44 CarbonylContact O-C 3.55Å; L19-S44 WeakPolarHBondContact O-CA 3.5Å; L19-S44 WeakPolarHBondContact O-CB 3.36Å; L19-N45 PolarHBondContact N-OD1 3.42Å; L19-N45 PolarHBondContact O-N 3.16Å; L19-N45 PolarHBondContact O-OD1 2.82Å; L19-F278 HydrophobicContact CD2-CD1 4.37Å; L19-F278 WeakPolarHBondContact O-CE1 3.38Å; L19-V281 HydrophobicContact CB-CG2 4.43Å; L19-V281 HydrophobicContact CD2-CG2 3.48Å; L19-V281 VanDerWaalsContact CD2-CG2 3.48Å
20C87.3Confident68.4Low35 Ų3593 Ų9324%0.23648%0.479CS..BIsolated β-bridgetrans-97.6159.7179.5-60.50000111.3E22 S23 I43C20-E22 PolarHBondContact O-N 2.05Å; C20-S23 PolarHBondContact N-OG 3.2Å; C20-S23 PolarHBondContact O-N 3.23Å; C20-S23 VanDerWaalsContact O-N 3.11Å; C20-S23 PolarHBondContact O-OG 3Å; C20-I43 CarbonylContact C-O 3.45Å; C20-I43 VanDerWaalsContact CA-O 3.24Å; C20-I43 WeakPolarHBondContact CA-O 3.42Å
21F83.5Confident67.6Low0 Ų097.2 Ų97.20%051%0.506CS..SBendtrans-58.1-35175.5-73.3-17.8000113.7S23 T24 V40 D41 I43 I200 H204 F276 F278F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.3Å; F21-T24 PolarHBondContact O-N 3.49Å; F21-T24 PolarHBondContact O-OG1 3.12Å; F21-V40 HydrophobicContact CD2-CG1 4.32Å; F21-V40 VanDerWaalsContact CD2-O 3.29Å; F21-V40 WeakPolarHBondContact CD2-O 3.42Å; F21-D41 PolarHBondContact N-O 3.04Å; F21-I43 HydrophobicContact CD2-CB 3.62Å; F21-I43 HydrophobicContact CD2-CD1 4.22Å; F21-I43 HydrophobicContact CD2-CG1 4.42Å; F21-I43 HydrophobicContact CD2-CG2 3.94Å; F21-I43 HydrophobicContact CE1-CG2 4.34Å; F21-I43 HydrophobicContact CE2-CB 3.59Å; F21-I43 HydrophobicContact CE2-CD1 3.86Å; F21-I43 HydrophobicContact CE2-CG1 4.31Å; F21-I43 HydrophobicContact CE2-CG2 3.41Å; F21-I43 VanDerWaalsContact CE2-CG2 3.41Å; F21-I43 HydrophobicContact CG-CB 4.29Å; F21-I43 HydrophobicContact CZ-CB 4.27Å; F21-I43 HydrophobicContact CZ-CG2 3.63Å; F21-I43 PolarHBondContact N-O 3.46Å; F21-I200 HydrophobicContact CE2-CG2 4.02Å; F21-H204 VanDerWaalsContact CB-CE1 3.45Å; F21-H204 WeakPolarHBondContact CB-CE1 3.39Å; F21-H204 HydrophobicContact CD1-CB 4.47Å; F21-H204 AromaticContact CD1-CE1 3.47Å; F21-H204 VanDerWaalsContact CD1-CE1 3.47Å; F21-H204 WeakPolarHBondContact CD1-CE1 3.5Å; F21-H204 AromaticContact CD1-CG 3.75Å; F21-H204 AromaticContact CD1-ND1 3.17Å; F21-H204 WeakPolarHBondContact CD1-ND1 3.32Å; F21-H204 HydrophobicContact CD2-CB 4.19Å; F21-H204 AromaticContact CD2-CD2 3.52Å; F21-H204 AromaticContact CD2-CE1 3.9Å; F21-H204 AromaticContact CD2-CG 3.54Å; F21-H204 AromaticContact CD2-ND1 3.78Å; F21-H204 AromaticContact CD2-NE2 3.78Å; F21-H204 HydrophobicContact CE1-CB 3.93Å; F21-H204 AromaticContact CE1-CG 3.69Å; F21-H204 AromaticContact CE1-ND1 3.39Å; F21-H204 WeakPolarHBondContact CE1-ND1 3.18Å; F21-H204 HydrophobicContact CE2-CB 3.64Å; F21-H204 AromaticContact CE2-CD2 3.87Å; F21-H204 AromaticContact CE2-CG 3.52Å; F21-H204 AromaticContact CG-CD2 3.8Å; F21-H204 AromaticContact CG-CE1 3.33Å; F21-H204 WeakPolarHBondContact CG-CE1 3.49Å; F21-H204 AromaticContact CG-CG 3.69Å; F21-H204 AromaticContact CG-ND1 3.4Å; F21-H204 WeakPolarHBondContact CG-ND1 3.23Å; F21-H204 AromaticContact CG-NE2 3.61Å; F21-H204 HydrophobicContact CZ-CB 3.5Å; F21-H204 AromaticContact CZ-CG 3.61Å; F21-H204 AromaticContact CZ-ND1 3.83Å; F21-F276 HydrophobicContact CE1-CB 4.11Å; F21-F276 HydrophobicContact CE1-CG 4.39Å; F21-F276 HydrophobicContact CZ-CB 3.8Å; F21-F276 AromaticContact CZ-CD1 3.86Å; F21-F276 HydrophobicContact CZ-CD1 3.86Å; F21-F276 AromaticContact CZ-CD2 3.88Å; F21-F276 HydrophobicContact CZ-CD2 3.88Å; F21-F276 HydrophobicContact CZ-CE1 4.36Å; F21-F276 HydrophobicContact CZ-CE2 4.37Å; F21-F276 AromaticContact CZ-CG 3.6Å; F21-F276 HydrophobicContact CZ-CG 3.6Å; F21-F278 HydrophobicContact CD1-CD1 4.09Å; F21-F278 AromaticContact CD1-CE1 3.36Å; F21-F278 HydrophobicContact CD1-CE1 3.36Å; F21-F278 AromaticContact CD1-CZ 3.73Å; F21-F278 HydrophobicContact CD1-CZ 3.73Å; F21-F278 HydrophobicContact CE1-CD1 4.04Å; F21-F278 AromaticContact CE1-CE1 3.31Å; F21-F278 HydrophobicContact CE1-CE1 3.31Å; F21-F278 AromaticContact CE1-CE2 3.87Å; F21-F278 HydrophobicContact CE1-CE2 3.87Å; F21-F278 AromaticContact CE1-CZ 3.19Å; F21-F278 HydrophobicContact CE1-CZ 3.19Å; F21-F278 HydrophobicContact CZ-CE1 4.39Å; F21-F278 HydrophobicContact CZ-CE2 4.48Å; F21-F278 AromaticContact CZ-CZ 3.91Å; F21-F278 HydrophobicContact CZ-CZ 3.91Å
22E79.1Confident67.7Low127 Ų12796.5 Ų96.559%0.59350%0.5SS*.G310 helixtrans-52.6-45.9173.4-169.8174.7-171.500112.4C20 T24 R25 D41C20-E22 PolarHBondContact O-N 2.05Å; E22-T24 PolarHBondContact O-N 3.16Å; E22-R25 PolarHBondContact O-N 3.32Å; E22-D41 HydrophobicContact CB-CB 4.19Å; E22-D41 PolarHBondContact N-O 3.08Å
23S69.4Low68Low74 Ų7492.8 Ų92.852%0.51750%0.501SS..G310 helixtrans-71.5-9.1-179.754.90000114.7L19 C20 F21L19-S23 WeakPolarHBondContact CD1-OG 3.47Å; L19-S23 WeakPolarHBondContact CG-OG 3.45Å; C20-S23 PolarHBondContact N-OG 3.2Å; C20-S23 PolarHBondContact O-N 3.23Å; C20-S23 VanDerWaalsContact O-N 3.11Å; C20-S23 PolarHBondContact O-OG 3Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.3Å
24T63.7Low69.1Low58 Ų5884.3 Ų84.336%0.35647%0.471SS..G310 helixtrans-94.1-3.2177.5660000113.5L19 F21 E22L19-T24 HydrophobicContact CD2-CG2 3.83Å; L19-T24 HydrophobicContact CG-CG2 4.22Å; F21-T24 PolarHBondContact O-N 3.49Å; F21-T24 PolarHBondContact O-OG1 3.12Å; E22-T24 PolarHBondContact O-N 3.16Å
25R63.8Low70.2Confident80 Ų8083 Ų8330%0.30246%0.462SS..SBendtrans-87.1129.3-179.6-68.3-174.3177.4148.512.4111.3E22 S27 R32 D41E22-R25 PolarHBondContact O-N 3.32Å; R25-S27 PolarHBondContact O-N 3.46Å; R25-S27 VanDerWaalsContact O-N 3.08Å; R25-R32 VanDerWaalsContact CZ-NH1 3.33Å; R25-R32 VanDerWaalsContact NH1-NH1 3.14Å; R25-D41 IonicContact CZ-OD1 3.76Å; R25-D41 IonicContact CZ-OD2 2.66Å; R25-D41 IonicContact NH1-OD1 3.5Å; R25-D41 PolarHBondContact NH1-OD1 3.47Å; R25-D41 IonicContact NH1-OD2 3.74Å; R25-D41 PolarHBondContact NH1-OD2 3Å; R25-D41 IonicContact NH2-OD1 2.58Å; R25-D41 PolarHBondContact NH2-OD1 3.34Å
26E57.2Low70.8Confident182 Ų18282.2 Ų82.285%0.8546%0.457SS*.  trans-66.8103.9165.8-70.4-179.7168.600109.7V28E26-V28 PolarHBondContact O-N 3.02Å
27S48.8Very low71.3Confident115 Ų11575.6 Ų75.680%0.80443%0.428SS*.SBendtrans37.538.9150.664.20000120.9R25R25-S27 PolarHBondContact O-N 3.46Å; R25-S27 VanDerWaalsContact O-N 3.08Å
28V51Low71.7Confident105 Ų10574.2 Ų74.264%0.63642%0.418SS*.  trans-127.6108.5161-172.20000110.2E26 V30E26-V28 PolarHBondContact O-N 3.02Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 2.93Å
29P50Low72.2Confident121 Ų12170.1 Ų70.179%0.78640%0.399SS*.  trans-70.893170.11.812.9000108.2V31P29-V31 PolarHBondContact O-N 3.23Å
30V52Low72.4Confident87 Ų8767.8 Ų67.853%0.52739%0.387SS..  trans-75.4108.8162.3-175.80000105.7V28 R32V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 2.93Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 HydrophobicContact CB-CG 4.18Å; V30-R32 HydrophobicContact CG1-CG 3.72Å; V30-R32 PolarHBondContact O-N 3.06Å
31V50.2Low72.5Confident129 Ų12966.9 Ų66.978%0.78238%0.38SS*.  trans-63.295.7170.8-179.80000107.2P29 T33P29-V31 PolarHBondContact O-N 3.23Å; V31-T33 HydrophobicContact CG1-CG2 4.1Å
32R61.2Low72.9Confident80 Ų8071.8 Ų71.830%0.30240%0.402SS..  trans-96.8111.4175.6-64.3-174.8176.8167.8-7.7107.9R25 V30 S37 D41R25-R32 VanDerWaalsContact CZ-NH1 3.33Å; R25-R32 VanDerWaalsContact NH1-NH1 3.14Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 HydrophobicContact CB-CG 4.18Å; V30-R32 HydrophobicContact CG1-CG 3.72Å; V30-R32 PolarHBondContact O-N 3.06Å; R32-S37 VanDerWaalsContact CB-CB 3.46Å; R32-S37 VanDerWaalsContact CD-CB 3.49Å; R32-D41 IonicContact NH1-OD1 3.53Å
33T69.5Low73.5Confident133 Ų13365.8 Ų65.882%0.81637%0.373SS*.  trans-86.6-9.3-172.651.50000113.2V31V31-T33 HydrophobicContact CG1-CG2 4.1Å
34D87Confident74.6Confident28 Ų2862.3 Ų62.315%0.1535%0.349CS..SBendtrans-95.3141.6-177.177.5103.1000113W36 S37 S38 N87D34-W36 VanDerWaalsContact C-N 3.27Å; D34-W36 PolarHBondContact O-N 3.27Å; D34-W36 WeakPolarHBondContact OD1-CB 3.43Å; D34-W36 PolarHBondContact OD1-N 2.9Å; D34-S37 VanDerWaalsContact CG-OG 3.31Å; D34-S37 WeakPolarHBondContact O-CB 3.42Å; D34-S37 PolarHBondContact O-N 2.71Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact OD1-N 2.73Å; D34-S37 PolarHBondContact OD1-OG 2.87Å; D34-S37 WeakPolarHBondContact OD2-CB 3.47Å; D34-S37 PolarHBondContact OD2-OG 3.22Å; D34-S38 PolarHBondContact O-N 3.46Å; D34-S38 VanDerWaalsContact O-N 3.13Å; D34-S38 PolarHBondContact O-OG 2.93Å; D34-N87 PolarHBondContact OD1-ND2 3.21Å
35A92.4Very high75.9Confident10 Ų1059.7 Ų59.78%0.08333%0.333CS..Hα-helixtrans-60.7-33-176.200000113.4S38 F39 L54 Q57A35-S38 PolarHBondContact O-N 2.93Å; A35-F39 VanDerWaalsContact O-CB 3.28Å; A35-F39 WeakPolarHBondContact O-CB 3.24Å; A35-F39 PolarHBondContact O-N 2.64Å; A35-L54 HydrophobicContact CB-CD1 4.14Å; A35-L54 WeakPolarHBondContact O-CD1 3.07Å; A35-Q57 HydrophobicContact CB-CB 3.48Å; A35-Q57 VanDerWaalsContact CB-CB 3.48Å
36W91Very high77.2Confident1 Ų156.5 Ų56.50%0.00432%0.323CS..Hα-helixtrans-63-47.8174.9-176.6-9.2000110.5D34 S38 F39 V40 A58 L62 F85 R89 H90 M198D34-W36 VanDerWaalsContact C-N 3.27Å; D34-W36 PolarHBondContact O-N 3.27Å; D34-W36 WeakPolarHBondContact OD1-CB 3.43Å; D34-W36 PolarHBondContact OD1-N 2.9Å; W36-S38 PolarHBondContact O-N 3.08Å; W36-F39 WeakPolarHBondContact O-CB 3.38Å; W36-F39 PolarHBondContact O-N 3.06Å; W36-F39 VanDerWaalsContact O-N 3.15Å; W36-V40 WeakPolarHBondContact O-CG2 3.49Å; W36-V40 PolarHBondContact O-N 3.4Å; W36-A58 HydrophobicContact CB-CB 4.5Å; W36-L62 HydrophobicContact CE3-CD1 4.46Å; W36-L62 HydrophobicContact CH2-CD1 3.25Å; W36-L62 HydrophobicContact CZ2-CD1 3.92Å; W36-L62 HydrophobicContact CZ3-CB 4.43Å; W36-L62 HydrophobicContact CZ3-CD1 3.57Å; W36-F85 AromaticContact CH2-CD2 3.61Å; W36-F85 HydrophobicContact CH2-CD2 3.61Å; W36-F85 AromaticContact CH2-CE2 3.74Å; W36-F85 HydrophobicContact CH2-CE2 3.74Å; W36-F85 AromaticContact CZ3-CD2 3.61Å; W36-F85 HydrophobicContact CZ3-CD2 3.61Å; W36-F85 AromaticContact CZ3-CE2 3.99Å; W36-F85 HydrophobicContact CZ3-CE2 3.99Å; W36-F85 HydrophobicContact CZ3-CG 4.19Å; W36-R89 HydrophobicContact CD2-CB 3.92Å; W36-R89 HydrophobicContact CD2-CG 4.03Å; W36-R89 HydrophobicContact CE3-CB 4.01Å; W36-R89 HydrophobicContact CE3-CG 4.39Å; W36-R89 HydrophobicContact CG-CG 4.31Å; W36-R89 HydrophobicContact CH2-CB 3.85Å; W36-R89 HydrophobicContact CZ2-CB 3.79Å; W36-R89 HydrophobicContact CZ3-CB 3.97Å; W36-H90 WeakPolarHBondContact CH2-O 3.38Å; W36-H90 WeakPolarHBondContact CZ2-O 3.3Å; W36-M198 HydrophobicContact CB-CE 4.19Å; W36-M198 HydrophobicContact CD2-CE 3.62Å; W36-M198 HydrophobicContact CE3-CE 4.28Å; W36-M198 HydrophobicContact CG-CE 3.55Å; W36-M198 HydrophobicContact CG-SD 4.44Å; W36-M198 HydrophobicContact CZ2-CB 4.21Å; W36-M198 HydrophobicContact CZ2-CE 4.36Å; W36-M198 HydrophobicContact CZ2-CG 4.03Å
37S88.5Confident79Confident4 Ų449.4 Ų49.43%0.02829%0.29CS..Hα-helixtrans-57.9-47.3174.5-72.10000113.5R32 D34 F39 V40 D41 R89R32-S37 VanDerWaalsContact CB-CB 3.46Å; R32-S37 VanDerWaalsContact CD-CB 3.49Å; D34-S37 VanDerWaalsContact CG-OG 3.31Å; D34-S37 WeakPolarHBondContact O-CB 3.42Å; D34-S37 PolarHBondContact O-N 2.71Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact OD1-N 2.73Å; D34-S37 PolarHBondContact OD1-OG 2.87Å; D34-S37 WeakPolarHBondContact OD2-CB 3.47Å; D34-S37 PolarHBondContact OD2-OG 3.22Å; S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 3.28Å; S37-V40 PolarHBondContact O-N 3.29Å; S37-D41 VanDerWaalsContact O-CG 3.28Å; S37-D41 PolarHBondContact O-N 3.13Å; S37-R89 PolarHBondContact OG-NE 2.9Å; S37-R89 PolarHBondContact OG-NH2 2.98Å
38S90.8Very high81.2Confident44 Ų4444 Ų4431%0.30825%0.252SS..Hα-helixtrans-62.3-34.7176.3-560000112.1D34 A35 W36 D41 K42D34-S38 PolarHBondContact O-N 3.46Å; D34-S38 VanDerWaalsContact O-N 3.13Å; D34-S38 PolarHBondContact O-OG 2.93Å; A35-S38 PolarHBondContact O-N 2.93Å; W36-S38 PolarHBondContact O-N 3.08Å; S38-D41 PolarHBondContact O-N 3.34Å; S38-K42 PolarHBondContact O-N 3.42Å
39F93.7Very high83.2Confident6 Ų639.3 Ų39.33%0.02622%0.223CC..Hα-helixtrans-61.3-49.8174.8170.9-90.6000111.6A35 W36 S37 D41 K42 I43 I48 L54 L55 A58 P137 M198A35-F39 VanDerWaalsContact O-CB 3.28Å; A35-F39 WeakPolarHBondContact O-CB 3.24Å; A35-F39 PolarHBondContact O-N 2.64Å; W36-F39 WeakPolarHBondContact O-CB 3.38Å; W36-F39 PolarHBondContact O-N 3.06Å; W36-F39 VanDerWaalsContact O-N 3.15Å; S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 3.28Å; F39-D41 PolarHBondContact O-N 3.47Å; F39-K42 PolarHBondContact O-N 2.9Å; F39-K42 VanDerWaalsContact O-N 3.16Å; F39-I43 HydrophobicContact CE1-CD1 4.17Å; F39-I43 HydrophobicContact CE1-CG1 4.31Å; F39-I43 PolarHBondContact O-N 2.87Å; F39-I48 HydrophobicContact CZ-CG2 4.11Å; F39-L54 HydrophobicContact CB-CD2 4.32Å; F39-L54 HydrophobicContact CB-CG 4.11Å; F39-L55 HydrophobicContact CD2-CD1 4.42Å; F39-L55 HydrophobicContact CE2-CB 4.38Å; F39-L55 HydrophobicContact CE2-CD1 3.77Å; F39-L55 HydrophobicContact CZ-CD1 4.31Å; F39-A58 HydrophobicContact CB-CB 3.76Å; F39-A58 HydrophobicContact CD2-CB 4.38Å; F39-A58 HydrophobicContact CG-CB 4.05Å; F39-P137 HydrophobicContact CE1-CG 3.66Å; F39-P137 HydrophobicContact CE2-CG 4.11Å; F39-P137 HydrophobicContact CZ-CG 3.29Å; F39-M198 HydrophobicContact CD1-SD 3.86Å; F39-M198 HydrophobicContact CE1-SD 3.93Å
40V91.1Very high85Confident4 Ų441.1 Ų41.12%0.02421%0.214CC..Hα-helixtrans-58.6-41179.9173.60000110.6F21 W36 S37 K42 I43 I200F21-V40 HydrophobicContact CD2-CG1 4.32Å; F21-V40 VanDerWaalsContact CD2-O 3.29Å; F21-V40 WeakPolarHBondContact CD2-O 3.42Å; W36-V40 WeakPolarHBondContact O-CG2 3.49Å; W36-V40 PolarHBondContact O-N 3.4Å; S37-V40 PolarHBondContact O-N 3.29Å; V40-K42 PolarHBondContact O-N 2.88Å; V40-I43 WeakPolarHBondContact O-CB 3.44Å; V40-I43 WeakPolarHBondContact O-CG1 3.48Å; V40-I43 PolarHBondContact O-N 3.45Å; V40-I200 HydrophobicContact CG2-CD1 3.97Å
41D88.7Confident87Confident17 Ų1740 Ų409%0.09121%0.205CC..Hα-helixtrans-66-28.4-177-68.2-1000112.5F21 E22 R25 R32 S37 S38 F39F21-D41 PolarHBondContact N-O 3.04Å; E22-D41 HydrophobicContact CB-CB 4.19Å; E22-D41 PolarHBondContact N-O 3.08Å; R25-D41 IonicContact CZ-OD1 3.76Å; R25-D41 IonicContact CZ-OD2 2.66Å; R25-D41 IonicContact NH1-OD1 3.5Å; R25-D41 PolarHBondContact NH1-OD1 3.47Å; R25-D41 IonicContact NH1-OD2 3.74Å; R25-D41 PolarHBondContact NH1-OD2 3Å; R25-D41 IonicContact NH2-OD1 2.58Å; R25-D41 PolarHBondContact NH2-OD1 3.34Å; R32-D41 IonicContact NH1-OD1 3.53Å; S37-D41 VanDerWaalsContact O-CG 3.28Å; S37-D41 PolarHBondContact O-N 3.13Å; S38-D41 PolarHBondContact O-N 3.34Å; F39-D41 PolarHBondContact O-N 3.47Å
42K91.5Very high89Confident103 Ų10337.1 Ų37.145%0.44819%0.185SC..THydrogen-bonded Turntrans-85.7-2.5176.4-66.5-165.1-165179.20115.1S38 F39 V40 S44 D51 L54S38-K42 PolarHBondContact O-N 3.42Å; F39-K42 PolarHBondContact O-N 2.9Å; F39-K42 VanDerWaalsContact O-N 3.16Å; V40-K42 PolarHBondContact O-N 2.88Å; K42-S44 PolarHBondContact O-N 2.73Å; K42-D51 IonicContact NZ-OD2 3.54Å; K42-D51 PolarHBondContact NZ-OD2 3.06Å; K42-L54 HydrophobicContact CD-CD2 3.58Å; K42-L54 HydrophobicContact CG-CD2 4.22Å
43I92.6Very high90.6Very high0 Ų037.6 Ų37.60%019%0.194CC..  trans-62.1129.8174.1-66.7171.9000108.8C20 F21 F39 V40 I48 I200 F276C20-I43 CarbonylContact C-O 3.45Å; C20-I43 VanDerWaalsContact CA-O 3.24Å; C20-I43 WeakPolarHBondContact CA-O 3.42Å; F21-I43 HydrophobicContact CD2-CB 3.62Å; F21-I43 HydrophobicContact CD2-CD1 4.22Å; F21-I43 HydrophobicContact CD2-CG1 4.42Å; F21-I43 HydrophobicContact CD2-CG2 3.94Å; F21-I43 HydrophobicContact CE1-CG2 4.34Å; F21-I43 HydrophobicContact CE2-CB 3.59Å; F21-I43 HydrophobicContact CE2-CD1 3.86Å; F21-I43 HydrophobicContact CE2-CG1 4.31Å; F21-I43 HydrophobicContact CE2-CG2 3.41Å; F21-I43 VanDerWaalsContact CE2-CG2 3.41Å; F21-I43 HydrophobicContact CG-CB 4.29Å; F21-I43 HydrophobicContact CZ-CB 4.27Å; F21-I43 HydrophobicContact CZ-CG2 3.63Å; F21-I43 PolarHBondContact N-O 3.46Å; F39-I43 HydrophobicContact CE1-CD1 4.17Å; F39-I43 HydrophobicContact CE1-CG1 4.31Å; F39-I43 PolarHBondContact O-N 2.87Å; V40-I43 WeakPolarHBondContact O-CB 3.44Å; V40-I43 WeakPolarHBondContact O-CG1 3.48Å; V40-I43 PolarHBondContact O-N 3.45Å; I43-I48 HydrophobicContact CD1-CG2 4.25Å; I43-I48 HydrophobicContact CG1-CG2 4.1Å; I43-I200 HydrophobicContact CD1-CD1 3.75Å; I43-I200 HydrophobicContact CD1-CG1 4.24Å; I43-I200 HydrophobicContact CD1-CG2 4.47Å; I43-F276 HydrophobicContact CG2-CD2 4Å; I43-F276 HydrophobicContact CG2-CE2 3.82Å
44S92Very high91.8Very high2 Ų232 Ų321%0.01416%0.159CC..BIsolated β-bridgetrans-116.9165.6-177.384.60000113.5E18 L19 K42 C46 E47 F278E18-S44 PolarHBondContact OE1-OG 2.79Å; L19-S44 CarbonylContact O-C 3.55Å; L19-S44 WeakPolarHBondContact O-CA 3.5Å; L19-S44 WeakPolarHBondContact O-CB 3.36Å; K42-S44 PolarHBondContact O-N 2.73Å; S44-C46 PolarHBondContact O-N 2.7Å; S44-C46 VanDerWaalsContact O-N 3.13Å; S44-C46 PolarHBondContact OG-N 3.44Å; S44-E47 PolarHBondContact N-O 3.2Å; S44-E47 VanDerWaalsContact O-O 3.12Å; S44-E47 PolarHBondContact OG-N 2.96Å; S44-E47 PolarHBondContact OG-O 2.89Å; S44-F278 WeakPolarHBondContact O-CZ 3.49Å
45N91.4Very high92.3Very high2 Ų230.9 Ų30.91%0.01115%0.152CC..SBendtrans-63.6-13.7173.668.8-50.5000112.7S17 E18 L19 F278 V281 E283 Y284 S285S17-N45 PolarHBondContact O-ND2 2.01Å; S17-N45 PolarHBondContact O-OD1 3.36Å; E18-N45 WeakPolarHBondContact CA-OD1 3.37Å; L19-N45 PolarHBondContact N-OD1 3.42Å; L19-N45 PolarHBondContact O-N 3.16Å; L19-N45 PolarHBondContact O-OD1 2.82Å; N45-F278 VanDerWaalsContact CA-CZ 3.48Å; N45-F278 HydrophobicContact CB-CB 4.49Å; N45-F278 HydrophobicContact CB-CD1 4.05Å; N45-F278 HydrophobicContact CB-CD2 3.71Å; N45-F278 HydrophobicContact CB-CE1 4.16Å; N45-F278 HydrophobicContact CB-CE2 3.82Å; N45-F278 HydrophobicContact CB-CG 3.84Å; N45-F278 HydrophobicContact CB-CZ 4.07Å; N45-V281 HydrophobicContact CB-CG1 4.28Å; N45-E283 PolarHBondContact ND2-O 2.83Å; N45-Y284 CarbonylContact O-C 3.51Å; N45-Y284 VanDerWaalsContact O-CA 3.27Å; N45-Y284 WeakPolarHBondContact O-CA 3.17Å; N45-S285 PolarHBondContact O-N 2.82Å
46C91.7Very high92.5Very high13 Ų1336.4 Ų36.49%0.08818%0.175CC..SBendtrans-94.6-44.2-177.1-49.80000112.9C15 S17 S44 S285C15-C46 HydrophobicContact CB-CB 3.57Å; C15-C46 WeakPolarHBondContact CB-SG 3.43Å; C15-C46 VanDerWaalsContact SG-CA 3.6Å; C15-C46 WeakPolarHBondContact SG-CB 3.01Å; C15-C46 CovalentContact SG-SG 2Å; C15-C46 PolarHBondContact SG-SG 3.33Å; S17-C46 PolarHBondContact O-SG 3.44Å; S44-C46 PolarHBondContact O-N 2.7Å; S44-C46 VanDerWaalsContact O-N 3.13Å; S44-C46 PolarHBondContact OG-N 3.44Å; C46-S285 WeakPolarHBondContact O-CB 3.16Å; C46-S285 PolarHBondContact O-OG 3.08Å
47E93.4Very high92.7Very high33 Ų3341.7 Ų41.715%0.15420%0.199CC..  trans-155.7154-172.261.7-167.4179.500110.4S44 R50 H133S44-E47 PolarHBondContact N-O 3.2Å; S44-E47 VanDerWaalsContact O-O 3.12Å; S44-E47 PolarHBondContact OG-N 2.96Å; S44-E47 PolarHBondContact OG-O 2.89Å; E47-R50 VanDerWaalsContact OE1-CB 3.3Å; E47-R50 WeakPolarHBondContact OE1-CB 3.29Å; E47-R50 WeakPolarHBondContact OE1-CD 3.42Å; E47-R50 VanDerWaalsContact OE1-CG 3.26Å; E47-R50 WeakPolarHBondContact OE1-CG 3.3Å; E47-R50 IonicContact OE1-NE 3.58Å; E47-R50 IonicContact OE1-NH1 3.73Å; E47-H133 CarbonylContact C-O 3.52Å; E47-H133 HydrophobicContact CB-CB 4.02Å
48I94.9Very high93Very high2 Ų241.5 Ų41.51%0.0120%0.198CC..SBendtrans-84.2-32.8-178.6-59.6-173.5000110.9F39 I43 H133 R134 I136 F276 V287F39-I48 HydrophobicContact CZ-CG2 4.11Å; I43-I48 HydrophobicContact CD1-CG2 4.25Å; I43-I48 HydrophobicContact CG1-CG2 4.1Å; I48-H133 PolarHBondContact N-O 3.08Å; I48-R134 WeakPolarHBondContact CD1-O 3.47Å; I48-I136 HydrophobicContact CD1-CD1 3.67Å; I48-I136 HydrophobicContact CD1-CG1 4.4Å; I48-F276 HydrophobicContact CD1-CE2 3.83Å; I48-F276 HydrophobicContact CD1-CZ 4.46Å; I48-F276 HydrophobicContact CG1-CE2 4.01Å; I48-V287 HydrophobicContact CD1-CB 4.48Å; I48-V287 HydrophobicContact CD1-CG1 3.9Å; I48-V287 HydrophobicContact CD1-CG2 4.17Å
49Y94Very high93.3Very high6 Ų640.2 Ų40.22%0.02419%0.187CC..  trans-150.4130.7-176.659.7-88.6000112.8L55 F124 D127 K128 H133 A135Y49-L55 HydrophobicContact CD2-CD2 3.57Å; Y49-L55 HydrophobicContact CE2-CD2 3.92Å; Y49-L55 HydrophobicContact CG-CD2 4.14Å; Y49-F124 HydrophobicContact CD1-CE2 4.37Å; Y49-F124 HydrophobicContact CE1-CD2 4.26Å; Y49-F124 AromaticContact CE1-CE2 3.66Å; Y49-F124 HydrophobicContact CE1-CE2 3.66Å; Y49-F124 HydrophobicContact CE2-CE2 4.35Å; Y49-F124 AromaticContact CZ-CE2 3.63Å; Y49-D127 PolarHBondContact OH-OD1 2.77Å; Y49-K128 HydrophobicContact CE2-CB 4.34Å; Y49-K128 HydrophobicContact CE2-CD 4.4Å; Y49-K128 HydrophobicContact CE2-CG 4.16Å; Y49-K128 WeakPolarHBondContact OH-CA 3.03Å; Y49-K128 WeakPolarHBondContact OH-CB 3.3Å; Y49-K128 PolarHBondContact OH-N 3.25Å; Y49-H133 HydrophobicContact CD2-CB 4.32Å; Y49-H133 AromaticContact CD2-ND1 3.51Å; Y49-H133 HydrophobicContact CE1-CB 4.42Å; Y49-H133 HydrophobicContact CE2-CB 4.21Å; Y49-H133 AromaticContact CE2-ND1 3.1Å; Y49-H133 WeakPolarHBondContact CE2-ND1 3.15Å; Y49-H133 AromaticContact CZ-ND1 3.77Å; Y49-H133 VanDerWaalsContact O-CB 3.23Å; Y49-H133 WeakPolarHBondContact O-CB 3.32Å; Y49-H133 PolarHBondContact O-ND1 3.02Å; Y49-A135 WeakPolarHBondContact CE1-O 3.34Å
50R88.4Confident93.4Very high160 Ų16047.5 Ų47.560%0.60422%0.216SC*.  trans-123.2-37.2173.8-161.4-171.4-175.7145-8.9112.8E47 N52E47-R50 VanDerWaalsContact OE1-CB 3.3Å; E47-R50 WeakPolarHBondContact OE1-CB 3.29Å; E47-R50 WeakPolarHBondContact OE1-CD 3.42Å; E47-R50 VanDerWaalsContact OE1-CG 3.26Å; E47-R50 WeakPolarHBondContact OE1-CG 3.3Å; E47-R50 IonicContact OE1-NE 3.58Å; E47-R50 IonicContact OE1-NH1 3.73Å; R50-N52 PolarHBondContact O-N 3.5Å
51D92.4Very high93.6Very high62 Ų6249.2 Ų49.233%0.33222%0.224SC..  trans-76.999179.5-173.7-20.4000109.9K42 D53 L54 L55K42-D51 IonicContact NZ-OD2 3.54Å; K42-D51 PolarHBondContact NZ-OD2 3.06Å; D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 2.97Å; D51-D53 PolarHBondContact OD1-N 2.79Å; D51-L54 HydrophobicContact CB-CB 3.94Å; D51-L54 PolarHBondContact OD1-N 3.17Å; D51-L54 WeakPolarHBondContact OD2-CB 3.46Å; D51-L55 WeakPolarHBondContact O-CB 3.32Å; D51-L55 PolarHBondContact O-N 3.31Å
52N92.4Very high93.9Very high69 Ų6948.4 Ų48.437%0.36922%0.219SC..Hα-helixtrans-65.8-30.7-176.6-82.2-58.3000113R50 K56 K128R50-N52 PolarHBondContact O-N 3.5Å; N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.25Å; N52-K56 PolarHBondContact O-N 3.31Å; N52-K128 WeakPolarHBondContact OD1-CE 3.47Å; N52-K128 PolarHBondContact OD1-NZ 3.38Å
53D95.3Very high94.1Very high91 Ų9144.6 Ų44.649%0.48721%0.205SC..Hα-helixtrans-79.9-40.1-177.2-67.4-30.1000110.6D51 L55 K56 Q57D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 2.97Å; D51-D53 PolarHBondContact OD1-N 2.79Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.71Å; D53-K56 PolarHBondContact O-N 3.3Å; D53-K56 IonicContact OD1-NZ 3.85Å; D53-K56 PolarHBondContact OD1-NZ 3.01Å; D53-Q57 WeakPolarHBondContact O-CG 3.29Å; D53-Q57 PolarHBondContact O-N 3.29Å
54L95.5Very high94.2Very high15 Ų1548 Ų488%0.07923%0.226CC..Hα-helixtrans-61-43.5169.7-177.460.4000111.9A35 F39 K42 D51 K56 Q57 A58A35-L54 HydrophobicContact CB-CD1 4.14Å; A35-L54 WeakPolarHBondContact O-CD1 3.07Å; F39-L54 HydrophobicContact CB-CD2 4.32Å; F39-L54 HydrophobicContact CB-CG 4.11Å; K42-L54 HydrophobicContact CD-CD2 3.58Å; K42-L54 HydrophobicContact CG-CD2 4.22Å; D51-L54 HydrophobicContact CB-CB 3.94Å; D51-L54 PolarHBondContact OD1-N 3.17Å; D51-L54 WeakPolarHBondContact OD2-CB 3.46Å; L54-K56 PolarHBondContact O-N 2.82Å; L54-Q57 PolarHBondContact O-N 3.44Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.49Å; L54-A58 PolarHBondContact O-N 3.44Å
55L96.3Very high94.4Very high4 Ų448.7 Ų48.72%0.02123%0.23CC..Hα-helixtrans-57.8-45.9174.6172.665.8000111.6F39 Y49 D51 D53 Q57 A58 M59 F124 P137F39-L55 HydrophobicContact CD2-CD1 4.42Å; F39-L55 HydrophobicContact CE2-CB 4.38Å; F39-L55 HydrophobicContact CE2-CD1 3.77Å; F39-L55 HydrophobicContact CZ-CD1 4.31Å; Y49-L55 HydrophobicContact CD2-CD2 3.57Å; Y49-L55 HydrophobicContact CE2-CD2 3.92Å; Y49-L55 HydrophobicContact CG-CD2 4.14Å; D51-L55 WeakPolarHBondContact O-CB 3.32Å; D51-L55 PolarHBondContact O-N 3.31Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.71Å; L55-Q57 VanDerWaalsContact C-N 3.35Å; L55-Q57 PolarHBondContact O-N 3.1Å; L55-A58 PolarHBondContact O-N 3.36Å; L55-M59 HydrophobicContact CD1-CG 3.82Å; L55-M59 HydrophobicContact CG-CG 4.26Å; L55-M59 VanDerWaalsContact O-CB 3.29Å; L55-M59 WeakPolarHBondContact O-CB 3.36Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 2.97Å; L55-F124 HydrophobicContact CD1-CZ 4.14Å; L55-F124 HydrophobicContact CD2-CZ 4.12Å; L55-P137 HydrophobicContact CD1-CB 3.96Å; L55-P137 HydrophobicContact CD1-CG 3.79Å
56K96Very high94.6Very high127 Ų12755 Ų5555%0.55226%0.257SS*.Hα-helixtrans-60.5-44.3177.8-75.4167.2-170.2163.80111.7N52 D53 L54 M59 Y60N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.25Å; N52-K56 PolarHBondContact O-N 3.31Å; D53-K56 PolarHBondContact O-N 3.3Å; D53-K56 IonicContact OD1-NZ 3.85Å; D53-K56 PolarHBondContact OD1-NZ 3.01Å; L54-K56 PolarHBondContact O-N 2.82Å; K56-M59 PolarHBondContact O-N 2.82Å; K56-Y60 WeakPolarHBondContact O-CB 3.13Å; K56-Y60 PolarHBondContact O-N 2.73Å
57Q95.8Very high94.9Very high111 Ų11154.5 Ų54.552%0.51925%0.254SS..Hα-helixtrans-64.1-45.3178.6-67.8172.539.100111.4A35 D53 L54 L55 M59 Y60 Q61A35-Q57 HydrophobicContact CB-CB 3.48Å; A35-Q57 VanDerWaalsContact CB-CB 3.48Å; D53-Q57 WeakPolarHBondContact O-CG 3.29Å; D53-Q57 PolarHBondContact O-N 3.29Å; L54-Q57 PolarHBondContact O-N 3.44Å; L55-Q57 VanDerWaalsContact C-N 3.35Å; L55-Q57 PolarHBondContact O-N 3.1Å; Q57-M59 PolarHBondContact O-N 3.26Å; Q57-Y60 PolarHBondContact O-N 2.98Å; Q57-Q61 WeakPolarHBondContact O-CG 3.05Å; Q57-Q61 PolarHBondContact O-N 3.44Å
58A95.8Very high95.2Very high0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-62.2-40.8176.900000112.1W36 F39 L54 L55 Q61 L62 M198W36-A58 HydrophobicContact CB-CB 4.5Å; F39-A58 HydrophobicContact CB-CB 3.76Å; F39-A58 HydrophobicContact CD2-CB 4.38Å; F39-A58 HydrophobicContact CG-CB 4.05Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.49Å; L54-A58 PolarHBondContact O-N 3.44Å; L55-A58 PolarHBondContact O-N 3.36Å; A58-Q61 PolarHBondContact O-N 3.17Å; A58-L62 PolarHBondContact O-N 3.03Å; A58-M198 HydrophobicContact CB-CE 3.72Å; A58-M198 VanDerWaalsContact O-CE 3.3Å; A58-M198 WeakPolarHBondContact O-CE 3.45Å
59M96.6Very high95.3Very high17 Ų1761.4 Ų61.48%0.08429%0.287CS..Hα-helixtrans-67.7-38.9175.6-71.6-72.9-80.200112.5L55 K56 Q57 Q61 L62 S63 F124 P137 T138 I139L55-M59 HydrophobicContact CD1-CG 3.82Å; L55-M59 HydrophobicContact CG-CG 4.26Å; L55-M59 VanDerWaalsContact O-CB 3.29Å; L55-M59 WeakPolarHBondContact O-CB 3.36Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 2.97Å; K56-M59 PolarHBondContact O-N 2.82Å; Q57-M59 PolarHBondContact O-N 3.26Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-L62 PolarHBondContact O-N 2.79Å; M59-L62 HydrophobicContact SD-CD2 4.32Å; M59-S63 WeakPolarHBondContact O-CB 3.47Å; M59-S63 PolarHBondContact O-N 2.74Å; M59-F124 HydrophobicContact CE-CD1 4.32Å; M59-F124 HydrophobicContact CE-CE1 3.7Å; M59-F124 HydrophobicContact CE-CZ 4.3Å; M59-P137 HydrophobicContact CG-CB 4.38Å; M59-P137 HydrophobicContact SD-CB 3.41Å; M59-P137 WeakPolarHBondContact SD-CB 3.25Å; M59-T138 WeakPolarHBondContact CE-O 3.34Å; M59-I139 HydrophobicContact CB-CD1 4.22Å; M59-I139 HydrophobicContact CE-CB 3.59Å; M59-I139 HydrophobicContact CE-CD1 4.04Å; M59-I139 HydrophobicContact CE-CG1 4.14Å; M59-I139 HydrophobicContact SD-CB 4.36Å
60Y95.8Very high95.5Very high160 Ų16061.1 Ų61.163%0.62729%0.286SS*.Hα-helixtrans-61.1-43.9173.8178.9-97.2000111.3K56 Q57 S63 T64K56-Y60 WeakPolarHBondContact O-CB 3.13Å; K56-Y60 PolarHBondContact O-N 2.73Å; Q57-Y60 PolarHBondContact O-N 2.98Å; Y60-S63 PolarHBondContact O-N 3.2Å; Y60-T64 HydrophobicContact CD2-CG2 4.25Å; Y60-T64 HydrophobicContact CE1-CG2 4.42Å; Y60-T64 HydrophobicContact CE2-CG2 3.87Å; Y60-T64 PolarHBondContact O-N 3.42Å; Y60-T64 PolarHBondContact O-OG1 3.38Å
61Q95Very high95.9Very high40 Ų4055.7 Ų55.719%0.18727%0.267CS..Hα-helixtrans-59.7-48.8172.9-73.1-175.3-2800111.5Q57 A58 M59 S63 T64 M65Q57-Q61 WeakPolarHBondContact O-CG 3.05Å; Q57-Q61 PolarHBondContact O-N 3.44Å; A58-Q61 PolarHBondContact O-N 3.17Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-S63 PolarHBondContact O-N 3.38Å; Q61-T64 PolarHBondContact O-N 3.31Å; Q61-M65 HydrophobicContact CB-CE 4.07Å; Q61-M65 HydrophobicContact CG-CE 4.24Å; Q61-M65 WeakPolarHBondContact O-CB 3.46Å; Q61-M65 PolarHBondContact O-N 2.9Å
62L95Very high96.1Very high0 Ų053.7 Ų53.70%026%0.256CS..Hα-helixtrans-56.1-39.1176.7-173.466.2000112.6W36 A58 M59 F85 I139 R141 L196 M198W36-L62 HydrophobicContact CE3-CD1 4.46Å; W36-L62 HydrophobicContact CH2-CD1 3.25Å; W36-L62 HydrophobicContact CZ2-CD1 3.92Å; W36-L62 HydrophobicContact CZ3-CB 4.43Å; W36-L62 HydrophobicContact CZ3-CD1 3.57Å; A58-L62 PolarHBondContact O-N 3.03Å; M59-L62 PolarHBondContact O-N 2.79Å; M59-L62 HydrophobicContact SD-CD2 4.32Å; L62-F85 HydrophobicContact CD1-CE2 4.13Å; L62-F85 HydrophobicContact CD1-CZ 4.35Å; L62-I139 HydrophobicContact CB-CG2 4.37Å; L62-I139 HydrophobicContact CD2-CG2 3.77Å; L62-I139 HydrophobicContact CG-CG2 3.93Å; L62-R141 PolarHBondContact O-NH1 3.11Å; L62-L196 HydrophobicContact CD1-CD1 4.5Å; L62-L196 HydrophobicContact CD1-CD2 3.83Å; L62-L196 HydrophobicContact CD1-CG 3.77Å; L62-L196 HydrophobicContact CD2-CG 4.36Å; L62-L196 WeakPolarHBondContact CD2-O 3.49Å; L62-L196 HydrophobicContact CG-CD2 3.81Å; L62-L196 HydrophobicContact CG-CG 3.86Å; L62-L196 WeakPolarHBondContact O-CD2 3.4Å; L62-M198 HydrophobicContact CB-CE 4.21Å; L62-M198 HydrophobicContact CD1-CG 4.29Å; L62-M198 HydrophobicContact CD2-CE 4.44Å; L62-M198 HydrophobicContact CD2-CG 3.63Å; L62-M198 HydrophobicContact CG-CG 4.49Å
63S95.2Very high96.2Very high22 Ų2251.8 Ų51.815%0.15425%0.246CC..Hα-helixtrans-73-33.1-179-171.10000114.1M59 Y60 Q61 R141M59-S63 WeakPolarHBondContact O-CB 3.47Å; M59-S63 PolarHBondContact O-N 2.74Å; Y60-S63 PolarHBondContact O-N 3.2Å; Q61-S63 PolarHBondContact O-N 3.38Å; S63-R141 VanDerWaalsContact O-CD 3.25Å; S63-R141 WeakPolarHBondContact O-CD 3.44Å; S63-R141 PolarHBondContact O-NE 3.21Å; S63-R141 VanDerWaalsContact O-NE 3.14Å; S63-R141 PolarHBondContact O-NH1 2.61Å
64T95.1Very high95.7Very high72 Ų7258 Ų5844%0.44226%0.262SS..Hα-helixtrans-114.6-23.9-166.657.10000114.4Y60 Q61Y60-T64 HydrophobicContact CD2-CG2 4.25Å; Y60-T64 HydrophobicContact CE1-CG2 4.42Å; Y60-T64 HydrophobicContact CE2-CG2 3.87Å; Y60-T64 PolarHBondContact O-N 3.42Å; Y60-T64 PolarHBondContact O-OG1 3.38Å; Q61-T64 PolarHBondContact O-N 3.31Å
65M95.8Very high94.9Very high17 Ų1759.6 Ų59.68%0.08428%0.283CS..SBendtrans-62142.5-173.9-170.5173.4-76.900111.6Q61 F85 E86 N87 R141Q61-M65 HydrophobicContact CB-CE 4.07Å; Q61-M65 HydrophobicContact CG-CE 4.24Å; Q61-M65 WeakPolarHBondContact O-CB 3.46Å; Q61-M65 PolarHBondContact O-N 2.9Å; M65-F85 HydrophobicContact CB-CD1 3.99Å; M65-F85 HydrophobicContact CG-CB 3.88Å; M65-F85 HydrophobicContact CG-CD1 4.19Å; M65-F85 HydrophobicContact CG-CG 4.38Å; M65-F85 WeakPolarHBondContact O-CD1 3.41Å; M65-F85 HydrophobicContact SD-CB 3.55Å; M65-F85 VanDerWaalsContact SD-CB 3.55Å; M65-F85 HydrophobicContact SD-CG 4.3Å; M65-E86 HydrophobicContact CG-CG 3.62Å; M65-E86 WeakPolarHBondContact CG-OE1 3.31Å; M65-E86 HydrophobicContact SD-CG 4.01Å; M65-N87 HydrophobicContact CE-CB 4.01Å; M65-N87 HydrophobicContact SD-CB 3.79Å; M65-N87 PolarHBondContact SD-OD1 3.23Å; M65-N87 VanDerWaalsContact SD-OD1 3.33Å; M65-R141 PolarHBondContact O-NH1 3.15Å; M65-R141 PolarHBondContact O-NH2 2.71Å
66K96.9Very high94.2Very high133 Ų13361.9 Ų61.958%0.57831%0.308SS*.PPolyproline II helixtrans-65.5134.5-178.1-173.3178.2178.7-179.50110.9L68 F85 E86K66-L68 HydrophobicContact CD-CD2 4.16Å; K66-L68 HydrophobicContact CG-CD2 4.26Å; K66-F85 WeakPolarHBondContact O-CA 3.44Å; K66-E86 PolarHBondContact O-N 3.44Å; K66-E86 VanDerWaalsContact O-N 3.17Å
67I98.2Very high93.8Very high4 Ų458.1 Ų58.12%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-83.8128.4172.9-61.9155.6000107.8L83 F85 L143 D148 T152I67-L83 HydrophobicContact CD1-CD1 3.82Å; I67-L83 HydrophobicContact CG1-CD1 4.28Å; I67-L83 HydrophobicContact CG2-CB 4.32Å; I67-L83 HydrophobicContact CG2-CD2 4.45Å; I67-F85 HydrophobicContact CD1-CE1 4.44Å; I67-F85 HydrophobicContact CG1-CD1 4.02Å; I67-F85 HydrophobicContact CG1-CE1 3.53Å; I67-F85 HydrophobicContact CG1-CZ 4.29Å; I67-L143 HydrophobicContact CD1-CD1 4.25Å; I67-L143 HydrophobicContact CD1-CD2 3.65Å; I67-D148 HydrophobicContact CD1-CB 3.87Å; I67-D148 WeakPolarHBondContact CG2-O 3.46Å; I67-T152 HydrophobicContact CG2-CG2 4.46Å
68L97.9Very high93.8Very high93 Ų9353.3 Ų53.349%0.48727%0.273SS..EExtended strand (participates in β ladder)trans-104.8-30.4178.4-63.6-168.2000113K66 T84 E86K66-L68 HydrophobicContact CD-CD2 4.16Å; K66-L68 HydrophobicContact CG-CD2 4.26Å; L68-T84 PolarHBondContact N-O 3.2Å; L68-E86 HydrophobicContact CD1-CB 4.09Å; L68-E86 HydrophobicContact CD2-CB 4.47Å; L68-E86 HydrophobicContact CG-CB 4.2Å
69K98.1Very high93.7Very high86 Ų8653.8 Ų53.837%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-144.1138.6179.5-170.7-171.8177.4-150.10110E71 L83 T84 T152K69-E71 WeakPolarHBondContact CE-OE1 3.29Å; K69-E71 IonicContact NZ-OE1 3.74Å; K69-E71 PolarHBondContact NZ-OE1 3.16Å; K69-E71 IonicContact NZ-OE2 3.08Å; K69-L83 CarbonylContact O-C 3.55Å; K69-L83 WeakPolarHBondContact O-CA 3.3Å; K69-T84 PolarHBondContact N-O 3.42Å; K69-T84 PolarHBondContact O-N 2.92Å; K69-T152 CarbonylContact C-O 3.49Å; K69-T152 WeakPolarHBondContact CA-O 3.46Å
70S98.2Very high93.7Very high0 Ų054.7 Ų54.70%028%0.279CS..EExtended strand (participates in β ladder)trans-122.6136.1168.764.30000110.4L82 L149 T152 A153 D154S70-L82 WeakPolarHBondContact CA-O 3.28Å; S70-L149 PolarHBondContact OG-O 3.47Å; S70-T152 WeakPolarHBondContact CB-OG1 3.48Å; S70-T152 PolarHBondContact N-O 2.94Å; S70-T152 PolarHBondContact OG-OG1 3.42Å; S70-A153 CarbonylContact O-C 3.37Å; S70-A153 VanDerWaalsContact O-CA 3.3Å; S70-A153 WeakPolarHBondContact O-CA 3.32Å; S70-A153 VanDerWaalsContact OG-CA 3.25Å; S70-A153 WeakPolarHBondContact OG-CA 3.42Å; S70-A153 PolarHBondContact OG-N 3.39Å; S70-D154 PolarHBondContact O-N 3.27Å
71E97.4Very high93.8Very high47 Ų4747.1 Ų47.122%0.2225%0.25CC..EExtended strand (participates in β ladder)trans-144.9160-179.564-171.998.200110.9K69 L73 L81 L82K69-E71 WeakPolarHBondContact CE-OE1 3.29Å; K69-E71 IonicContact NZ-OE1 3.74Å; K69-E71 PolarHBondContact NZ-OE1 3.16Å; K69-E71 IonicContact NZ-OE2 3.08Å; E71-L73 PolarHBondContact O-N 3.38Å; E71-L81 CarbonylContact O-C 3.37Å; E71-L81 VanDerWaalsContact O-CA 3.31Å; E71-L81 WeakPolarHBondContact O-CA 3.49Å; E71-L82 HydrophobicContact CG-CB 3.78Å; E71-L82 HydrophobicContact CG-CD2 4.16Å; E71-L82 HydrophobicContact CG-CG 4.42Å; E71-L82 PolarHBondContact N-O 3.49Å; E71-L82 PolarHBondContact O-N 3.45Å
72I96.4Very high93.9Very high19 Ų1946.1 Ų46.110%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-72.9116.7177-56.4179.2000108.6R74 T156 L157 L174I72-R74 PolarHBondContact O-N 2.88Å; I72-T156 HydrophobicContact CD1-CG2 3.95Å; I72-L157 HydrophobicContact CD1-CB 4.39Å; I72-L157 HydrophobicContact CD1-CD1 4.47Å; I72-L157 HydrophobicContact CG1-CB 3.95Å; I72-L157 HydrophobicContact CG1-CD1 4Å; I72-L157 HydrophobicContact CG1-CG 4.47Å; I72-L174 HydrophobicContact CD1-CB 3.71Å; I72-L174 HydrophobicContact CD1-CD1 3.91Å; I72-L174 HydrophobicContact CD1-CG 3.68Å; I72-L174 HydrophobicContact CG2-CB 4.48Å; I72-L174 WeakPolarHBondContact CG2-O 3.31Å
73L93.6Very high94Very high30 Ų3046.1 Ų46.116%0.15725%0.245CC..  trans-71.8105.9178.1177.559.3000109.9E71 G75 K80 L82 V92E71-L73 PolarHBondContact O-N 3.38Å; L73-G75 PolarHBondContact O-N 2.91Å; L73-K80 HydrophobicContact CB-CG 4.16Å; L73-K80 HydrophobicContact CD2-CD 3.93Å; L73-K80 HydrophobicContact CD2-CG 4.34Å; L73-K80 HydrophobicContact CG-CD 4.43Å; L73-K80 PolarHBondContact N-O 3.19Å; L73-L82 HydrophobicContact CB-CB 4.1Å; L73-L82 HydrophobicContact CD1-CB 4.28Å; L73-L82 HydrophobicContact CD1-CD1 4.34Å; L73-V92 HydrophobicContact CD2-CB 4.37Å; L73-V92 HydrophobicContact CD2-CG1 3.71Å; L73-V92 HydrophobicContact CD2-CG2 3.79Å
74R84.3Confident94.1Very high220 Ų22046.1 Ų46.183%0.8325%0.245SC*.  trans-65.4124.3176.9-62.9-176.3-176.9-103.1-1.6110.3I72I72-R74 PolarHBondContact O-N 2.88Å
75G78.4Confident94.1Very high49 Ų4942.8 Ų42.851%0.50522%0.224SC..SBendtrans121.9159179.600000112.3L73 K80L73-G75 PolarHBondContact O-N 2.91Å; G75-K80 WeakPolarHBondContact O-CE 3.36Å; G75-K80 PolarHBondContact O-NZ 3.22Å
76G82.6Confident94Very high53 Ų5347.4 Ų47.455%0.54625%0.246SC..SBendtrans72.3-165.7-16900000112.7
77T88.2Confident93.7Very high47 Ų4743.2 Ų43.229%0.28823%0.229SC..SBendtrans-125.7-28.4-172.856.30000115C175 K176 Y177T77-C175 WeakPolarHBondContact O-CB 3.36Å; T77-K176 HydrophobicContact CG2-CD 4.37Å; T77-K176 PolarHBondContact O-N 2.77Å; T77-K176 VanDerWaalsContact O-N 3.08Å; T77-Y177 HydrophobicContact CG2-CD2 4.05Å; T77-Y177 HydrophobicContact CG2-CE2 3.73Å; T77-Y177 PolarHBondContact O-N 3.15Å; T77-Y177 WeakPolarHBondContact OG1-CD2 3.43Å
78Q94.3Very high93.4Very high10 Ų1045.3 Ų45.35%0.04725%0.252CS..SBendtrans-104.6171.2-179.1-60.3-166.443.900111.5K80 D113 E115Q78-K80 PolarHBondContact O-N 3.05Å; Q78-D113 PolarHBondContact NE2-O 2.97Å; Q78-E115 HydrophobicContact CG-CG 4.48Å
79V94.9Very high93.1Very high11 Ų1142.1 Ų42.17%0.06723%0.233CC..  trans-61.3127-177.960.20000112P95 F171 C175 I185V79-P95 HydrophobicContact CG1-CG 3.84Å; V79-P95 HydrophobicContact CG2-CG 4.25Å; V79-F171 HydrophobicContact CG2-CE2 3.99Å; V79-C175 PolarHBondContact N-SG 3.09Å; V79-I185 HydrophobicContact CG1-CD1 4.36Å; V79-I185 HydrophobicContact CG1-CG1 4.33Å
80K96.1Very high92.9Very high36 Ų3640.6 Ų40.616%0.15723%0.227CC..  trans-158.8143.1171.953.2-179.2-173.1179.20109.9L73 G75 Q78 V92 F93 K94L73-K80 HydrophobicContact CB-CG 4.16Å; L73-K80 HydrophobicContact CD2-CD 3.93Å; L73-K80 HydrophobicContact CD2-CG 4.34Å; L73-K80 HydrophobicContact CG-CD 4.43Å; L73-K80 PolarHBondContact N-O 3.19Å; G75-K80 WeakPolarHBondContact O-CE 3.36Å; G75-K80 PolarHBondContact O-NZ 3.22Å; Q78-K80 PolarHBondContact O-N 3.05Å; K80-V92 HydrophobicContact CB-CG1 4.29Å; K80-V92 HydrophobicContact CD-CG1 4.39Å; K80-F93 CarbonylContact C-O 3.53Å; K80-F93 VanDerWaalsContact CA-O 3.31Å; K80-F93 WeakPolarHBondContact CA-O 3.48Å; K80-K94 HydrophobicContact CB-CG 4.13Å
81L97.4Very high92.8Very high0 Ų040.6 Ų40.60%023%0.227CC..EExtended strand (participates in β ladder)trans-112.5146.3-177.6-52.1-179.6000109.5E71 L83 V92 F93 L149 L157 F171E71-L81 CarbonylContact O-C 3.37Å; E71-L81 VanDerWaalsContact O-CA 3.31Å; E71-L81 WeakPolarHBondContact O-CA 3.49Å; L81-L83 HydrophobicContact CB-CD2 4.16Å; L81-V92 WeakPolarHBondContact O-CA 3.31Å; L81-F93 HydrophobicContact CB-CB 4.36Å; L81-F93 HydrophobicContact CD1-CD1 4.18Å; L81-F93 HydrophobicContact CG-CD1 4.48Å; L81-F93 PolarHBondContact N-O 3.19Å; L81-F93 PolarHBondContact O-N 3.47Å; L81-L149 HydrophobicContact CD1-CD1 4.08Å; L81-L149 HydrophobicContact CD1-CD2 3.98Å; L81-L157 HydrophobicContact CD1-CD2 4.2Å; L81-L157 HydrophobicContact CD2-CD1 3.77Å; L81-L157 HydrophobicContact CD2-CD2 3.98Å; L81-F171 HydrophobicContact CD1-CE2 4.27Å; L81-F171 HydrophobicContact CD1-CZ 4.24Å
82L97Very high92.8Very high19 Ų1939 Ų3910%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-95.8120.8165.7-173.171.3000107.3S70 E71 L73 H90 F199S70-L82 WeakPolarHBondContact CA-O 3.28Å; E71-L82 HydrophobicContact CG-CB 3.78Å; E71-L82 HydrophobicContact CG-CD2 4.16Å; E71-L82 HydrophobicContact CG-CG 4.42Å; E71-L82 PolarHBondContact N-O 3.49Å; E71-L82 PolarHBondContact O-N 3.45Å; L73-L82 HydrophobicContact CB-CB 4.1Å; L73-L82 HydrophobicContact CD1-CB 4.28Å; L73-L82 HydrophobicContact CD1-CD1 4.34Å; L82-H90 HydrophobicContact CD1-CB 3.68Å; L82-H90 HydrophobicContact CG-CB 4.19Å; L82-F199 HydrophobicContact CD1-CB 4.43Å; L82-F199 HydrophobicContact CD1-CD1 4.46Å; L82-F199 HydrophobicContact CD1-CD2 4.07Å; L82-F199 HydrophobicContact CD1-CE2 4.42Å; L82-F199 HydrophobicContact CD1-CG 4.08Å
83L97.8Very high92.9Very high0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-105.3128.5177.1-53.2-174.1000108.5I67 K69 L81 F85 H90 G91 F93 L143 L149 L196I67-L83 HydrophobicContact CD1-CD1 3.82Å; I67-L83 HydrophobicContact CG1-CD1 4.28Å; I67-L83 HydrophobicContact CG2-CB 4.32Å; I67-L83 HydrophobicContact CG2-CD2 4.45Å; K69-L83 CarbonylContact O-C 3.55Å; K69-L83 WeakPolarHBondContact O-CA 3.3Å; L81-L83 HydrophobicContact CB-CD2 4.16Å; L83-F85 HydrophobicContact CB-CE2 4.2Å; L83-F85 HydrophobicContact CB-CZ 4.05Å; L83-H90 CarbonylContact O-C 3.59Å; L83-H90 WeakPolarHBondContact O-CA 3.45Å; L83-G91 PolarHBondContact N-O 3.09Å; L83-G91 PolarHBondContact O-N 3.28Å; L83-F93 HydrophobicContact CD1-CB 3.68Å; L83-F93 HydrophobicContact CD1-CD2 4.44Å; L83-F93 HydrophobicContact CD1-CG 4.16Å; L83-F93 HydrophobicContact CD2-CB 4.47Å; L83-F93 HydrophobicContact CG-CB 3.9Å; L83-L143 HydrophobicContact CD1-CD1 4.01Å; L83-L149 HydrophobicContact CD2-CD2 3.64Å; L83-L196 HydrophobicContact CD1-CD1 3.94Å
84T97Very high93.1Very high23 Ų2337.4 Ų37.414%0.14121%0.212CC..EExtended strand (participates in β ladder)trans-102.4128173.8-54.10000109L68 K69 R89 H90L68-T84 PolarHBondContact N-O 3.2Å; K69-T84 PolarHBondContact N-O 3.42Å; K69-T84 PolarHBondContact O-N 2.92Å; T84-R89 WeakPolarHBondContact CA-O 3.49Å; T84-H90 PolarHBondContact OG1-CE1 3.42Å; T84-H90 PolarHBondContact OG1-ND1 3.38Å
85F96Very high93.8Very high1 Ų127.3 Ų27.30%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-97.8168.6-177.1-63-80.9000112.1W36 L62 M65 K66 I67 L83 N87 G88 R89 L196W36-F85 AromaticContact CH2-CD2 3.61Å; W36-F85 HydrophobicContact CH2-CD2 3.61Å; W36-F85 AromaticContact CH2-CE2 3.74Å; W36-F85 HydrophobicContact CH2-CE2 3.74Å; W36-F85 AromaticContact CZ3-CD2 3.61Å; W36-F85 HydrophobicContact CZ3-CD2 3.61Å; W36-F85 AromaticContact CZ3-CE2 3.99Å; W36-F85 HydrophobicContact CZ3-CE2 3.99Å; W36-F85 HydrophobicContact CZ3-CG 4.19Å; L62-F85 HydrophobicContact CD1-CE2 4.13Å; L62-F85 HydrophobicContact CD1-CZ 4.35Å; M65-F85 HydrophobicContact CB-CD1 3.99Å; M65-F85 HydrophobicContact CG-CB 3.88Å; M65-F85 HydrophobicContact CG-CD1 4.19Å; M65-F85 HydrophobicContact CG-CG 4.38Å; M65-F85 WeakPolarHBondContact O-CD1 3.41Å; M65-F85 HydrophobicContact SD-CB 3.55Å; M65-F85 VanDerWaalsContact SD-CB 3.55Å; M65-F85 HydrophobicContact SD-CG 4.3Å; K66-F85 WeakPolarHBondContact O-CA 3.44Å; I67-F85 HydrophobicContact CD1-CE1 4.44Å; I67-F85 HydrophobicContact CG1-CD1 4.02Å; I67-F85 HydrophobicContact CG1-CE1 3.53Å; I67-F85 HydrophobicContact CG1-CZ 4.29Å; L83-F85 HydrophobicContact CB-CE2 4.2Å; L83-F85 HydrophobicContact CB-CZ 4.05Å; F85-N87 PolarHBondContact O-N 3.18Å; F85-G88 WeakPolarHBondContact O-CA 3.26Å; F85-G88 PolarHBondContact O-N 3.35Å; F85-R89 WeakPolarHBondContact CD2-O 3.29Å; F85-R89 PolarHBondContact N-O 3.28Å; F85-L196 HydrophobicContact CE1-CD2 4.39Å; F85-L196 HydrophobicContact CZ-CD1 4.15Å; F85-L196 HydrophobicContact CZ-CD2 3.7Å; F85-L196 HydrophobicContact CZ-CG 4.43Å
86E93.9Very high94.7Very high115 Ų11526.9 Ų26.954%0.53716%0.16SC..THydrogen-bonded Turntrans-60.8-24.2-178.174.6-165.3168.500114.8M65 K66 L68 G88M65-E86 HydrophobicContact CG-CG 3.62Å; M65-E86 WeakPolarHBondContact CG-OE1 3.31Å; M65-E86 HydrophobicContact SD-CG 4.01Å; K66-E86 PolarHBondContact O-N 3.44Å; K66-E86 VanDerWaalsContact O-N 3.17Å; L68-E86 HydrophobicContact CD1-CB 4.09Å; L68-E86 HydrophobicContact CD2-CB 4.47Å; L68-E86 HydrophobicContact CG-CB 4.2Å; E86-G88 PolarHBondContact O-N 2.97Å
87N90.7Very high95.2Very high45 Ų4526.7 Ų26.724%0.24114%0.143CC..THydrogen-bonded Turntrans-81.66.4172.170.9-9.5000113.5D34 M65 F85 R89D34-N87 PolarHBondContact OD1-ND2 3.21Å; M65-N87 HydrophobicContact CE-CB 4.01Å; M65-N87 HydrophobicContact SD-CB 3.79Å; M65-N87 PolarHBondContact SD-OD1 3.23Å; M65-N87 VanDerWaalsContact SD-OD1 3.33Å; F85-N87 PolarHBondContact O-N 3.18Å; N87-R89 VanDerWaalsContact ND2-CG 3.31Å; N87-R89 WeakPolarHBondContact ND2-CG 3.16Å; N87-R89 PolarHBondContact O-N 3.48Å; N87-R89 WeakPolarHBondContact OD1-CB 3.35Å; N87-R89 WeakPolarHBondContact OD1-CG 3.48Å; N87-R89 PolarHBondContact OD1-N 2.63Å
88G91.2Very high95.4Very high47 Ų4727.5 Ų27.549%0.48514%0.142SC..SBendtrans73.23.7-176.800000114.7F85 E86F85-G88 WeakPolarHBondContact O-CA 3.26Å; F85-G88 PolarHBondContact O-N 3.35Å; E86-G88 PolarHBondContact O-N 2.97Å
89R91.9Very high95.4Very high27 Ų2731.4 Ų31.410%0.10216%0.163CC..  trans-80.9163.4173.8-60.5-63.3-171.8167.71.9111W36 S37 T84 F85 N87W36-R89 HydrophobicContact CD2-CB 3.92Å; W36-R89 HydrophobicContact CD2-CG 4.03Å; W36-R89 HydrophobicContact CE3-CB 4.01Å; W36-R89 HydrophobicContact CE3-CG 4.39Å; W36-R89 HydrophobicContact CG-CG 4.31Å; W36-R89 HydrophobicContact CH2-CB 3.85Å; W36-R89 HydrophobicContact CZ2-CB 3.79Å; W36-R89 HydrophobicContact CZ3-CB 3.97Å; S37-R89 PolarHBondContact OG-NE 2.9Å; S37-R89 PolarHBondContact OG-NH2 2.98Å; T84-R89 WeakPolarHBondContact CA-O 3.49Å; F85-R89 WeakPolarHBondContact CD2-O 3.29Å; F85-R89 PolarHBondContact N-O 3.28Å; N87-R89 VanDerWaalsContact ND2-CG 3.31Å; N87-R89 WeakPolarHBondContact ND2-CG 3.16Å; N87-R89 PolarHBondContact O-N 3.48Å; N87-R89 WeakPolarHBondContact OD1-CB 3.35Å; N87-R89 WeakPolarHBondContact OD1-CG 3.48Å; N87-R89 PolarHBondContact OD1-N 2.63Å
90H94.6Very high95.6Very high53 Ų5332.4 Ų32.425%0.24517%0.166CC..EExtended strand (participates in β ladder)trans-119.9149.8-179.5-45.7-83000112.4W36 L82 L83 T84 F199W36-H90 WeakPolarHBondContact CH2-O 3.38Å; W36-H90 WeakPolarHBondContact CZ2-O 3.3Å; L82-H90 HydrophobicContact CD1-CB 3.68Å; L82-H90 HydrophobicContact CG-CB 4.19Å; L83-H90 CarbonylContact O-C 3.59Å; L83-H90 WeakPolarHBondContact O-CA 3.45Å; T84-H90 PolarHBondContact OG1-CE1 3.42Å; T84-H90 PolarHBondContact OG1-ND1 3.38Å; H90-F199 HydrophobicContact CB-CB 3.84Å; H90-F199 HydrophobicContact CB-CD1 4.08Å; H90-F199 HydrophobicContact CB-CG 4.21Å; H90-F199 WeakPolarHBondContact O-CB 3.45Å; H90-F199 PolarHBondContact O-N 2.58Å
91G96.2Very high95.6Very high0 Ų035.6 Ų35.60%019%0.185CC..EExtended strand (participates in β ladder)trans-129.7147.5170.600000110.8L83 Q197L83-G91 PolarHBondContact N-O 3.09Å; L83-G91 PolarHBondContact O-N 3.28Å; G91-Q197 CarbonylContact C-O 3.47Å; G91-Q197 VanDerWaalsContact CA-O 3.24Å; G91-Q197 WeakPolarHBondContact CA-O 3.49Å
92V97Very high95.6Very high13 Ų1338.9 Ų38.98%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-94.2114.9174.3-175.80000108.6L73 K80 L81 L196 Q197 F199L73-V92 HydrophobicContact CD2-CB 4.37Å; L73-V92 HydrophobicContact CD2-CG1 3.71Å; L73-V92 HydrophobicContact CD2-CG2 3.79Å; K80-V92 HydrophobicContact CB-CG1 4.29Å; K80-V92 HydrophobicContact CD-CG1 4.39Å; L81-V92 WeakPolarHBondContact O-CA 3.31Å; V92-L196 WeakPolarHBondContact O-CA 3.42Å; V92-Q197 HydrophobicContact CB-CB 4.49Å; V92-Q197 PolarHBondContact N-O 2.92Å; V92-Q197 PolarHBondContact O-N 3.28Å; V92-F199 HydrophobicContact CG2-CB 4.3Å; V92-F199 HydrophobicContact CG2-CD2 3.61Å; V92-F199 HydrophobicContact CG2-CE2 4.46Å; V92-F199 HydrophobicContact CG2-CG 4.42Å
93F98.1Very high95.7Very high0 Ų040.2 Ų40.20%021%0.206CC..EExtended strand (participates in β ladder)trans-97.7124.9177.2-179.4-104.8000110.9K80 L81 L83 P95 L143 L149 G194 S195 L196K80-F93 CarbonylContact C-O 3.53Å; K80-F93 VanDerWaalsContact CA-O 3.31Å; K80-F93 WeakPolarHBondContact CA-O 3.48Å; L81-F93 HydrophobicContact CB-CB 4.36Å; L81-F93 HydrophobicContact CD1-CD1 4.18Å; L81-F93 HydrophobicContact CG-CD1 4.48Å; L81-F93 PolarHBondContact N-O 3.19Å; L81-F93 PolarHBondContact O-N 3.47Å; L83-F93 HydrophobicContact CD1-CB 3.68Å; L83-F93 HydrophobicContact CD1-CD2 4.44Å; L83-F93 HydrophobicContact CD1-CG 4.16Å; L83-F93 HydrophobicContact CD2-CB 4.47Å; L83-F93 HydrophobicContact CG-CB 3.9Å; F93-P95 HydrophobicContact CE1-CB 3.87Å; F93-P95 HydrophobicContact CZ-CB 4.37Å; F93-L143 HydrophobicContact CD1-CD1 4.24Å; F93-L143 HydrophobicContact CD2-CD1 3.81Å; F93-L143 HydrophobicContact CE1-CD1 4Å; F93-L143 HydrophobicContact CE2-CD1 3.54Å; F93-L143 HydrophobicContact CE2-CG 3.94Å; F93-L143 HydrophobicContact CG-CD1 4.14Å; F93-L143 HydrophobicContact CZ-CD1 3.65Å; F93-L143 HydrophobicContact CZ-CG 4.14Å; F93-L149 HydrophobicContact CE1-CD1 4.42Å; F93-G194 VanDerWaalsContact CE2-CA 3.43Å; F93-S195 CarbonylContact C-O 3.48Å; F93-S195 VanDerWaalsContact CA-O 3.31Å; F93-S195 WeakPolarHBondContact CA-O 3.25Å; F93-L196 HydrophobicContact CB-CD1 4.19Å
94K98.1Very high95.6Very high16 Ų1640.8 Ų40.87%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-114.8118169.7-58.1-172.4178.4-172.90109K80 E115 H117 E120 G194 S195K80-K94 HydrophobicContact CB-CG 4.13Å; K94-E115 WeakPolarHBondContact CD-OE2 3.34Å; K94-E115 WeakPolarHBondContact CE-OE2 3.42Å; K94-E115 IonicContact NZ-OE1 3.1Å; K94-E115 PolarHBondContact NZ-OE1 3.47Å; K94-E115 IonicContact NZ-OE2 3.39Å; K94-E115 PolarHBondContact NZ-OE2 2.91Å; K94-H117 HydrophobicContact CB-CB 4.42Å; K94-H117 WeakPolarHBondContact O-CB 3.36Å; K94-E120 HydrophobicContact CD-CG 4.16Å; K94-E120 IonicContact NZ-OE1 3.89Å; K94-E120 PolarHBondContact NZ-OE1 3.31Å; K94-G194 CarbonylContact O-C 3.58Å; K94-G194 WeakPolarHBondContact O-CA 3.38Å; K94-S195 WeakPolarHBondContact CB-OG 3.39Å; K94-S195 PolarHBondContact N-O 3.26Å; K94-S195 PolarHBondContact O-N 2.92Å
95P97.9Very high95.6Very high8 Ų843 Ų435%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-75.7151.4-173.427.6-33.2000113.3V79 F93 R97 F171 I185 K192V79-P95 HydrophobicContact CG1-CG 3.84Å; V79-P95 HydrophobicContact CG2-CG 4.25Å; F93-P95 HydrophobicContact CE1-CB 3.87Å; F93-P95 HydrophobicContact CZ-CB 4.37Å; P95-R97 PolarHBondContact O-N 3.48Å; P95-F171 HydrophobicContact CB-CZ 4.3Å; P95-F171 HydrophobicContact CG-CZ 4.18Å; P95-I185 HydrophobicContact CB-CB 4.49Å; P95-I185 HydrophobicContact CB-CD1 4.24Å; P95-I185 HydrophobicContact CB-CG1 4.15Å; P95-I185 HydrophobicContact CB-CG2 3.64Å; P95-I185 HydrophobicContact CG-CB 4.49Å; P95-I185 HydrophobicContact CG-CD1 3.88Å; P95-I185 HydrophobicContact CG-CG1 3.7Å; P95-I185 HydrophobicContact CG-CG2 4.16Å; P95-K192 HydrophobicContact CB-CG 4.31Å
96M97.7Very high95.7Very high40 Ų4047.6 Ų47.620%0.19725%0.252CS..  trans-65.5125.7169.8179179.2-177.700111.6F98 H117 K192 E193M96-F98 WeakPolarHBondContact CE-O 3.41Å; M96-H117 WeakPolarHBondContact CA-ND1 3.44Å; M96-H117 WeakPolarHBondContact CB-CE1 3.19Å; M96-H117 WeakPolarHBondContact CG-CE1 3.46Å; M96-K192 HydrophobicContact CB-CD 4.23Å; M96-K192 PolarHBondContact O-NZ 3.16Å; M96-E193 HydrophobicContact CB-CB 4.12Å; M96-E193 WeakPolarHBondContact CB-O 3.13Å; M96-E193 PolarHBondContact N-O 2.96Å; M96-E193 HydrophobicContact SD-CB 3.99Å
97R93.6Very high95.8Very high50 Ų5048.5 Ų48.519%0.18926%0.26CS..  trans-103.8-54.1175.2-172.7178.3-68-79.20.7112.8P95 F114 M183P95-R97 PolarHBondContact O-N 3.48Å; R97-F114 VanDerWaalsContact CD-CD1 3.5Å; R97-M183 PolarHBondContact NH1-O 3.2Å
98F92.9Very high96.1Very high64 Ų6450.2 Ų50.228%0.28127%0.267SS..SBendtrans-116.8161-176.8-52.2-63.9000111.4M96 H102 F114M96-F98 WeakPolarHBondContact CE-O 3.41Å; F98-H102 HydrophobicContact CB-CB 3.61Å; F98-H102 AromaticContact CD2-CD2 3.52Å; F98-H102 AromaticContact CD2-NE2 3.67Å; F98-H102 AromaticContact CE2-NE2 3.79Å; F98-H102 HydrophobicContact CG-CB 4.31Å; F98-H102 AromaticContact CG-CD2 3.7Å; F98-H102 AromaticContact CG-CG 3.79Å; F98-H102 AromaticContact CG-NE2 3.98Å; F98-F114 HydrophobicContact CE2-CB 3.76Å; F98-F114 AromaticContact CE2-CD2 3.82Å; F98-F114 HydrophobicContact CE2-CD2 3.82Å; F98-F114 AromaticContact CE2-CG 3.83Å; F98-F114 HydrophobicContact CE2-CG 3.83Å; F98-F114 AromaticContact CZ-CD2 3.9Å; F98-F114 HydrophobicContact CZ-CD2 3.9Å; F98-F114 HydrophobicContact CZ-CE2 4.21Å; F98-F114 HydrophobicContact CZ-CG 4.19Å
99D94.4Very high96.3Very high91 Ų9151 Ų5149%0.48726%0.257SS..  trans-70.1169.7172.771.480.8000112.2N101 H102D99-N101 PolarHBondContact O-N 3.3Å; D99-N101 WeakPolarHBondContact OD1-CA 3.37Å; D99-N101 VanDerWaalsContact OD1-CB 3.29Å; D99-N101 WeakPolarHBondContact OD1-CB 3.43Å; D99-N101 PolarHBondContact OD1-N 3.01Å; D99-H102 WeakPolarHBondContact O-CB 3.27Å; D99-H102 PolarHBondContact O-N 2.85Å; D99-H102 PolarHBondContact OD1-N 3.4Å
100R97.4Very high96.4Very high32 Ų3250.6 Ų50.612%0.12126%0.255CS..THydrogen-bonded Turntrans-64.9-20.4-175.6-55.9-59.1-166.2-96.3-9.5114.3H117 N118 E193 V346 P348 V349 A351R100-H117 PolarHBondContact NH1-CE1 3.42Å; R100-N118 WeakPolarHBondContact CD-ND2 3.33Å; R100-E193 IonicContact CZ-OE1 2.83Å; R100-E193 IonicContact CZ-OE2 3.64Å; R100-E193 IonicContact NH1-OE1 3.25Å; R100-E193 PolarHBondContact NH1-OE1 3.37Å; R100-E193 IonicContact NH1-OE2 3.3Å; R100-E193 IonicContact NH2-OE1 3.86Å; R100-E193 PolarHBondContact NH2-OE1 2.84Å; R100-E193 IonicContact NH2-OE2 2.76Å; R100-E193 PolarHBondContact NH2-OE2 2.69Å; R100-V346 PolarHBondContact NH2-O 3.45Å; R100-V346 VanDerWaalsContact NH2-O 3.13Å; R100-P348 PolarHBondContact NE-O 2.93Å; R100-P348 PolarHBondContact NH2-O 2.63Å; R100-V349 WeakPolarHBondContact CD-O 3.5Å; R100-V349 PolarHBondContact NE-O 2.97Å; R100-A351 HydrophobicContact CB-CB 4.34Å; R100-A351 VanDerWaalsContact O-CB 3.3Å; R100-A351 WeakPolarHBondContact O-CB 3.48Å
101N97.7Very high96.4Very high104 Ų10450 Ų5056%0.55625%0.252SS*.THydrogen-bonded Turntrans-93.8-9.2-177.5-63.9-56.4000113D99 E103 A351 K353D99-N101 PolarHBondContact O-N 3.3Å; D99-N101 WeakPolarHBondContact OD1-CA 3.37Å; D99-N101 VanDerWaalsContact OD1-CB 3.29Å; D99-N101 WeakPolarHBondContact OD1-CB 3.43Å; D99-N101 PolarHBondContact OD1-N 3.01Å; N101-E103 PolarHBondContact O-N 3.38Å; N101-A351 WeakPolarHBondContact OD1-CB 3.49Å; N101-K353 PolarHBondContact O-NZ 2.65Å
102H97.6Very high96.3Very high69 Ų6951.6 Ų51.632%0.31926%0.263SS..  trans-60.8132175.5-177.880.2000111.3F98 D99F98-H102 HydrophobicContact CB-CB 3.61Å; F98-H102 AromaticContact CD2-CD2 3.52Å; F98-H102 AromaticContact CD2-NE2 3.67Å; F98-H102 AromaticContact CE2-NE2 3.79Å; F98-H102 HydrophobicContact CG-CB 4.31Å; F98-H102 AromaticContact CG-CD2 3.7Å; F98-H102 AromaticContact CG-CG 3.79Å; F98-H102 AromaticContact CG-NE2 3.98Å; D99-H102 WeakPolarHBondContact O-CB 3.27Å; D99-H102 PolarHBondContact O-N 2.85Å; D99-H102 PolarHBondContact OD1-N 3.4Å
103E97.9Very high96.2Very high46 Ų4651.8 Ų51.822%0.21526%0.264CS..  trans-113.5144.7174.5-58.5-83.4-166.700108.2N101 G296 R297 S298 K353 H354N101-E103 PolarHBondContact O-N 3.38Å; E103-G296 CarbonylContact C-O 3.52Å; E103-G296 WeakPolarHBondContact CA-O 3.45Å; E103-G296 VanDerWaalsContact OE2-O 3.13Å; E103-R297 WeakPolarHBondContact OE2-CA 3.03Å; E103-S298 WeakPolarHBondContact OE1-CB 3.46Å; E103-S298 PolarHBondContact OE1-N 3.33Å; E103-S298 PolarHBondContact OE1-OG 2.88Å; E103-S298 PolarHBondContact OE2-N 3.23Å; E103-K353 VanDerWaalsContact CD-NZ 3.29Å; E103-K353 VanDerWaalsContact CG-NZ 3.31Å; E103-K353 WeakPolarHBondContact OE1-CD 3.25Å; E103-K353 WeakPolarHBondContact OE1-CE 3.3Å; E103-K353 IonicContact OE1-NZ 2.58Å; E103-K353 PolarHBondContact OE1-NZ 2.88Å; E103-H354 IonicContact OE2-CE1 2.59Å; E103-H354 IonicContact OE2-NE2 2.91Å
104A96.8Very high96Very high12 Ų1252.7 Ų52.710%0.09927%0.268CS..  trans-62.3139.5176.300000111G296 R297A104-G296 WeakPolarHBondContact CB-O 3.3Å; A104-G296 PolarHBondContact N-O 2.04Å; A104-R297 VanDerWaalsContact O-CD 3.3Å; A104-R297 WeakPolarHBondContact O-CD 3.47Å
105D96.9Very high95.9Very high70 Ų7053.7 Ų53.737%0.37427%0.272SS..  trans-56.9127.9175.7-170.3-43.9000110N107 H108D105-N107 PolarHBondContact O-N 3.08Å; D105-N107 VanDerWaalsContact OD1-CB 3.3Å; D105-N107 WeakPolarHBondContact OD1-CB 3.05Å; D105-N107 PolarHBondContact OD1-N 2.79Å; D105-N107 PolarHBondContact OD1-ND2 3.48Å; D105-H108 HydrophobicContact CB-CB 4.31Å; D105-H108 WeakPolarHBondContact O-CB 3.39Å; D105-H108 PolarHBondContact O-N 2.93Å
106P96.8Very high95.9Very high98 Ų9854 Ų5464%0.63627%0.273SS*.THydrogen-bonded Turntrans-54-24.5176-19.725.8000114.9R297P106-R297 VanDerWaalsContact CA-NH1 3.31Å; P106-R297 VanDerWaalsContact CG-NH1 3.31Å
107N96.9Very high96Very high134 Ų13452.3 Ų52.372%0.71726%0.264SS*.THydrogen-bonded Turntrans-85.7-12.1178.3-57.2-65.9000113.2D105 F109D105-N107 PolarHBondContact O-N 3.08Å; D105-N107 VanDerWaalsContact OD1-CB 3.3Å; D105-N107 WeakPolarHBondContact OD1-CB 3.05Å; D105-N107 PolarHBondContact OD1-N 2.79Å; D105-N107 PolarHBondContact OD1-ND2 3.48Å; N107-F109 PolarHBondContact O-N 2.74Å
108H96.2Very high96.2Very high81 Ų8150.5 Ų50.538%0.37526%0.258SS..  trans-74.5124.9175.8-73.6175.6000110.7D105D105-H108 HydrophobicContact CB-CB 4.31Å; D105-H108 WeakPolarHBondContact O-CB 3.39Å; D105-H108 PolarHBondContact O-N 2.93Å
109F95.4Very high96.5Very high64 Ų6447.5 Ų47.528%0.28125%0.245SC..  trans-68.8154.3164.6-65.6-82.6000110.4N107 F111 S112 D113 K220 Q223N107-F109 PolarHBondContact O-N 2.74Å; F109-F111 HydrophobicContact CB-CD1 3.81Å; F109-F111 HydrophobicContact CB-CD2 4.27Å; F109-F111 HydrophobicContact CB-CE1 3.41Å; F109-F111 VanDerWaalsContact CB-CE1 3.41Å; F109-F111 HydrophobicContact CB-CE2 3.9Å; F109-F111 HydrophobicContact CB-CG 4.22Å; F109-F111 HydrophobicContact CB-CZ 3.45Å; F109-F111 VanDerWaalsContact CB-CZ 3.45Å; F109-F111 HydrophobicContact CD1-CE1 4.16Å; F109-F111 HydrophobicContact CD1-CZ 4.34Å; F109-F111 HydrophobicContact CD2-CE1 4.33Å; F109-F111 HydrophobicContact CD2-CE2 4.32Å; F109-F111 AromaticContact CD2-CZ 3.71Å; F109-F111 HydrophobicContact CD2-CZ 3.71Å; F109-F111 AromaticContact CG-CE1 3.72Å; F109-F111 HydrophobicContact CG-CE1 3.72Å; F109-F111 HydrophobicContact CG-CE2 4.34Å; F109-F111 AromaticContact CG-CZ 3.57Å; F109-F111 HydrophobicContact CG-CZ 3.57Å; F109-F111 PolarHBondContact O-N 3.29Å; F109-S112 WeakPolarHBondContact O-CA 3.45Å; F109-S112 WeakPolarHBondContact O-CB 3.09Å; F109-S112 PolarHBondContact O-N 3.4Å; F109-D113 PolarHBondContact O-N 3.07Å; F109-D113 VanDerWaalsContact O-N 3.15Å; F109-K220 HydrophobicContact CE2-CB 4Å; F109-K220 HydrophobicContact CZ-CB 4.17Å; F109-Q223 HydrophobicContact CE1-CG 4.17Å
110Y94.8Very high96.7Very high18 Ų1843.2 Ų43.27%0.07122%0.222CC..THydrogen-bonded Turntrans-50.6-27.8174.949.5-89.9000114.7R216 T217 Y218 Q268 R293Y110-R216 HydrophobicContact CE1-CB 4.25Å; Y110-R216 VanDerWaalsContact CE1-CD 3.48Å; Y110-R216 HydrophobicContact CE1-CG 4.43Å; Y110-R216 HydrophobicContact CE2-CB 3.69Å; Y110-R216 HydrophobicContact CE2-CG 4.38Å; Y110-R216 WeakPolarHBondContact OH-CB 3.46Å; Y110-T217 PolarHBondContact OH-OG1 3.05Å; Y110-Y218 HydrophobicContact CD2-CD1 4.43Å; Y110-Y218 AromaticContact CD2-CE1 3.96Å; Y110-Y218 HydrophobicContact CD2-CE1 3.96Å; Y110-Y218 AromaticContact CE2-CD1 3.94Å; Y110-Y218 HydrophobicContact CE2-CD1 3.94Å; Y110-Y218 HydrophobicContact CE2-CD2 4.16Å; Y110-Y218 AromaticContact CE2-CE1 3.82Å; Y110-Y218 HydrophobicContact CE2-CE1 3.82Å; Y110-Y218 HydrophobicContact CE2-CE2 4.04Å; Y110-Y218 HydrophobicContact CE2-CG 4.06Å; Y110-Y218 AromaticContact CE2-CZ 3.82Å; Y110-Y218 PolarHBondContact OH-N 2.91Å; Y110-Q268 HydrophobicContact CG-CB 4.22Å; Y110-R293 WeakPolarHBondContact O-CD 3.27Å; Y110-R293 PolarHBondContact O-NE 3.14Å; Y110-R293 PolarHBondContact O-NH1 3.35Å
111F94.1Very high96.7Very high41 Ų4141.7 Ų41.718%0.1822%0.217CC..THydrogen-bonded Turntrans-83.5-15.8176.558.2-104.7000114.3F109 Y218 R293F109-F111 HydrophobicContact CB-CD1 3.81Å; F109-F111 HydrophobicContact CB-CD2 4.27Å; F109-F111 HydrophobicContact CB-CE1 3.41Å; F109-F111 VanDerWaalsContact CB-CE1 3.41Å; F109-F111 HydrophobicContact CB-CE2 3.9Å; F109-F111 HydrophobicContact CB-CG 4.22Å; F109-F111 HydrophobicContact CB-CZ 3.45Å; F109-F111 VanDerWaalsContact CB-CZ 3.45Å; F109-F111 HydrophobicContact CD1-CE1 4.16Å; F109-F111 HydrophobicContact CD1-CZ 4.34Å; F109-F111 HydrophobicContact CD2-CE1 4.33Å; F109-F111 HydrophobicContact CD2-CE2 4.32Å; F109-F111 AromaticContact CD2-CZ 3.71Å; F109-F111 HydrophobicContact CD2-CZ 3.71Å; F109-F111 AromaticContact CG-CE1 3.72Å; F109-F111 HydrophobicContact CG-CE1 3.72Å; F109-F111 HydrophobicContact CG-CE2 4.34Å; F109-F111 AromaticContact CG-CZ 3.57Å; F109-F111 HydrophobicContact CG-CZ 3.57Å; F109-F111 PolarHBondContact O-N 3.29Å; F111-Y218 HydrophobicContact CB-CD1 3.68Å; F111-Y218 HydrophobicContact CB-CE1 3.98Å; F111-Y218 HydrophobicContact CD1-CD1 4.27Å; F111-Y218 HydrophobicContact CG-CD1 4.35Å; F111-R293 PolarHBondContact O-NH2 3.04Å
112S94Very high96.8Very high33 Ų3336.8 Ų36.823%0.23119%0.19CC..THydrogen-bonded Turntrans-96.2-18.5176.5-65.60000112.4F109 Y178F109-S112 WeakPolarHBondContact O-CA 3.45Å; F109-S112 WeakPolarHBondContact O-CB 3.09Å; F109-S112 PolarHBondContact O-N 3.4Å; S112-Y178 PolarHBondContact O-OH 3.46Å
113D94.2Very high96.8Very high16 Ų1633.5 Ų33.59%0.08618%0.175CC..PPolyproline II helixtrans-60.9138.1-177.4-166.918.1000112.4Q78 F109 R116 R293Q78-D113 PolarHBondContact NE2-O 2.97Å; F109-D113 PolarHBondContact O-N 3.07Å; F109-D113 VanDerWaalsContact O-N 3.15Å; D113-R116 IonicContact OD1-NH1 3.59Å; D113-R116 PolarHBondContact OD1-NH1 3.38Å; D113-R116 IonicContact OD2-CZ 3.57Å; D113-R116 VanDerWaalsContact OD2-CZ 3.24Å; D113-R116 IonicContact OD2-NH1 2.73Å; D113-R116 PolarHBondContact OD2-NH1 3.24Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.57Å; D113-R293 PolarHBondContact O-NE 2.71Å; D113-R293 PolarHBondContact O-NH2 2.76Å
114F95Very high96.9Very high19 Ų1931.6 Ų31.68%0.08317%0.166CC..PPolyproline II helixtrans-72.9138176.8-77-80.3000110R97 F98 R116 Y178 M183R97-F114 VanDerWaalsContact CD-CD1 3.5Å; F98-F114 HydrophobicContact CE2-CB 3.76Å; F98-F114 AromaticContact CE2-CD2 3.82Å; F98-F114 HydrophobicContact CE2-CD2 3.82Å; F98-F114 AromaticContact CE2-CG 3.83Å; F98-F114 HydrophobicContact CE2-CG 3.83Å; F98-F114 AromaticContact CZ-CD2 3.9Å; F98-F114 HydrophobicContact CZ-CD2 3.9Å; F98-F114 HydrophobicContact CZ-CE2 4.21Å; F98-F114 HydrophobicContact CZ-CG 4.19Å; F114-R116 PolarHBondContact O-NH1 2.94Å; F114-Y178 AromaticContact CD1-CD2 3.41Å; F114-Y178 HydrophobicContact CD1-CD2 3.41Å; F114-Y178 VanDerWaalsContact CD1-CD2 3.41Å; F114-Y178 AromaticContact CD1-CE2 3.74Å; F114-Y178 HydrophobicContact CD1-CE2 3.74Å; F114-Y178 AromaticContact CD1-CG 3.92Å; F114-Y178 HydrophobicContact CD1-CG 3.92Å; F114-Y178 AromaticContact CE1-CD1 3.64Å; F114-Y178 HydrophobicContact CE1-CD1 3.64Å; F114-Y178 AromaticContact CE1-CD2 3.15Å; F114-Y178 HydrophobicContact CE1-CD2 3.15Å; F114-Y178 HydrophobicContact CE1-CE1 4.09Å; F114-Y178 AromaticContact CE1-CE2 3.63Å; F114-Y178 HydrophobicContact CE1-CE2 3.63Å; F114-Y178 AromaticContact CE1-CG 3.14Å; F114-Y178 HydrophobicContact CE1-CG 3.14Å; F114-Y178 HydrophobicContact CE2-CE1 4.44Å; F114-Y178 HydrophobicContact CE2-CE2 4.43Å; F114-Y178 HydrophobicContact CG-CD2 4.35Å; F114-Y178 HydrophobicContact CG-CE2 4.24Å; F114-Y178 AromaticContact CZ-CD1 3.63Å; F114-Y178 HydrophobicContact CZ-CD1 3.63Å; F114-Y178 AromaticContact CZ-CD2 3.86Å; F114-Y178 HydrophobicContact CZ-CD2 3.86Å; F114-Y178 AromaticContact CZ-CE1 3.79Å; F114-Y178 HydrophobicContact CZ-CE1 3.79Å; F114-Y178 AromaticContact CZ-CE2 3.98Å; F114-Y178 HydrophobicContact CZ-CE2 3.98Å; F114-Y178 AromaticContact CZ-CG 3.67Å; F114-Y178 HydrophobicContact CZ-CG 3.67Å; F114-Y178 AromaticContact CZ-CZ 3.94Å; F114-M183 HydrophobicContact CE1-SD 4.43Å; F114-M183 HydrophobicContact CZ-SD 3.96Å
115E96.6Very high97Very high37 Ų3731.4 Ų31.417%0.17316%0.163CC..PPolyproline II helixtrans-67141.8171.4-71.9-165139.600110.9Q78 K94 G292 R293Q78-E115 HydrophobicContact CG-CG 4.48Å; K94-E115 WeakPolarHBondContact CD-OE2 3.34Å; K94-E115 WeakPolarHBondContact CE-OE2 3.42Å; K94-E115 IonicContact NZ-OE1 3.1Å; K94-E115 PolarHBondContact NZ-OE1 3.47Å; K94-E115 IonicContact NZ-OE2 3.39Å; K94-E115 PolarHBondContact NZ-OE2 2.91Å; E115-G292 CarbonylContact C-O 3.32Å; E115-G292 WeakPolarHBondContact CA-O 3.41Å; E115-R293 HydrophobicContact CG-CG 4.4Å
116R97.8Very high97Very high16 Ų1628.1 Ų28.16%0.0615%0.145CC..  trans-112.5115.5176.8-73165.5-69.4-834.9108D113 F114 N118 S119 G292 R293 G294D113-R116 IonicContact OD1-NH1 3.59Å; D113-R116 PolarHBondContact OD1-NH1 3.38Å; D113-R116 IonicContact OD2-CZ 3.57Å; D113-R116 VanDerWaalsContact OD2-CZ 3.24Å; D113-R116 IonicContact OD2-NH1 2.73Å; D113-R116 PolarHBondContact OD2-NH1 3.24Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.57Å; F114-R116 PolarHBondContact O-NH1 2.94Å; R116-N118 VanDerWaalsContact C-N 3.27Å; R116-N118 WeakPolarHBondContact CB-OD1 3.47Å; R116-N118 PolarHBondContact O-N 3.45Å; R116-S119 VanDerWaalsContact O-CB 3.25Å; R116-S119 WeakPolarHBondContact O-CB 3.44Å; R116-S119 PolarHBondContact O-N 3.33Å; R116-G292 PolarHBondContact N-O 3.42Å; R116-R293 VanDerWaalsContact NH2-CA 3.32Å; R116-R293 PolarHBondContact NH2-O 2.91Å; R116-G294 VanDerWaalsContact CZ-O 3.28Å; R116-G294 PolarHBondContact NE-O 3.13Å; R116-G294 PolarHBondContact NH2-O 3.25Å
117H98.3Very high97.1Very high3 Ų323.4 Ų23.41%0.01412%0.115CC..Hα-helixtrans-60-40.6-179.975.1-65.2000111.6K94 M96 R100 S119 E120 I121 E193 G194 S195K94-H117 HydrophobicContact CB-CB 4.42Å; K94-H117 WeakPolarHBondContact O-CB 3.36Å; M96-H117 WeakPolarHBondContact CA-ND1 3.44Å; M96-H117 WeakPolarHBondContact CB-CE1 3.19Å; M96-H117 WeakPolarHBondContact CG-CE1 3.46Å; R100-H117 PolarHBondContact NH1-CE1 3.42Å; H117-S119 PolarHBondContact O-N 3.41Å; H117-E120 WeakPolarHBondContact O-CB 3.4Å; H117-E120 PolarHBondContact O-N 2.95Å; H117-I121 PolarHBondContact O-N 2.96Å; H117-E193 IonicContact CD2-OE1 2.69Å; H117-E193 IonicContact CE1-OE1 3.25Å; H117-E193 PolarHBondContact CE1-OE1 3.34Å; H117-E193 IonicContact NE2-OE1 2.83Å; H117-E193 PolarHBondContact NE2-OE1 3.47Å; H117-G194 VanDerWaalsContact CD2-C 3.48Å; H117-S195 VanDerWaalsContact O-CB 3.25Å; H117-S195 WeakPolarHBondContact O-CB 3.25Å
118N98.4Very high97.2Very high13 Ų1319.8 Ų19.87%0.079%0.093CC..Hα-helixtrans-65.7-21.8178.366.4-43.7000112.9R100 R116 A122 V349R100-N118 WeakPolarHBondContact CD-ND2 3.33Å; R116-N118 VanDerWaalsContact C-N 3.27Å; R116-N118 WeakPolarHBondContact CB-OD1 3.47Å; R116-N118 PolarHBondContact O-N 3.45Å; N118-A122 VanDerWaalsContact O-CB 3.23Å; N118-A122 WeakPolarHBondContact O-CB 3.33Å; N118-A122 PolarHBondContact O-N 3.32Å; N118-V349 HydrophobicContact CB-CG1 4.04Å; N118-V349 WeakPolarHBondContact CB-O 3.29Å; N118-V349 PolarHBondContact ND2-O 2.92Å; N118-V349 WeakPolarHBondContact O-CG1 3.3Å
119S98.6Very high97.3Very high0 Ų016.6 Ų16.60%08%0.079CC..Hα-helixtrans-67.8-37.3171.4-1740000112.2R116 H117 A122 A123 N291 G294R116-S119 VanDerWaalsContact O-CB 3.25Å; R116-S119 WeakPolarHBondContact O-CB 3.44Å; R116-S119 PolarHBondContact O-N 3.33Å; H117-S119 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact O-N 3.4Å; S119-A123 VanDerWaalsContact O-CB 3.23Å; S119-A123 WeakPolarHBondContact O-CB 3.35Å; S119-A123 PolarHBondContact O-N 3.06Å; S119-N291 WeakPolarHBondContact CB-O 3.37Å; S119-N291 PolarHBondContact OG-O 3.47Å; S119-G294 WeakPolarHBondContact OG-CA 3.43Å; S119-G294 PolarHBondContact OG-N 3Å; S119-G294 PolarHBondContact OG-O 3.36Å; S119-G294 VanDerWaalsContact OG-O 3.12Å
120E98.6Very high97.4Very high2 Ų213.7 Ų13.71%0.0097%0.067CC..Hα-helixtrans-64.7-44.6176.4-63.9-75.3-170.800111.4K94 H117 A123 F124 T138 N291 G292K94-E120 HydrophobicContact CD-CG 4.16Å; K94-E120 IonicContact NZ-OE1 3.89Å; K94-E120 PolarHBondContact NZ-OE1 3.31Å; H117-E120 WeakPolarHBondContact O-CB 3.4Å; H117-E120 PolarHBondContact O-N 2.95Å; E120-A123 PolarHBondContact O-N 3.42Å; E120-F124 PolarHBondContact O-N 3.35Å; E120-F124 VanDerWaalsContact O-N 3.16Å; E120-T138 HydrophobicContact CB-CG2 3.98Å; E120-N291 PolarHBondContact OE1-N 2.98Å; E120-N291 WeakPolarHBondContact OE2-CA 3.36Å; E120-N291 WeakPolarHBondContact OE2-CB 3.38Å; E120-N291 PolarHBondContact OE2-N 3.02Å; E120-G292 WeakPolarHBondContact OE1-CA 3.48Å; E120-G292 PolarHBondContact OE1-N 2.93Å
121I98.8Very high97.5Very high0 Ų014.9 Ų14.90%08%0.084CC..Hα-helixtrans-60.5-50.9175.3-56.8167.5000109.2H117 A123 F124 H125 T138 D344 V346 V349H117-I121 PolarHBondContact O-N 2.96Å; I121-A123 VanDerWaalsContact C-N 3.31Å; I121-A123 PolarHBondContact O-N 3.21Å; I121-F124 PolarHBondContact O-N 2.83Å; I121-H125 PolarHBondContact O-CD2 3.46Å; I121-H125 VanDerWaalsContact O-CD2 3.31Å; I121-H125 PolarHBondContact O-N 3.3Å; I121-H125 VanDerWaalsContact O-N 3.15Å; I121-T138 HydrophobicContact CG1-CG2 4.04Å; I121-D344 HydrophobicContact CG2-CB 4.46Å; I121-D344 VanDerWaalsContact CG2-OD2 3.31Å; I121-D344 WeakPolarHBondContact CG2-OD2 3.14Å; I121-V346 HydrophobicContact CD1-CG2 3.82Å; I121-V349 HydrophobicContact CB-CG1 3.84Å; I121-V349 HydrophobicContact CG2-CG1 3.77Å; I121-V349 HydrophobicContact CG2-CG2 4.07Å
122A98.8Very high97.6Very high0 Ų013.2 Ų13.20%08%0.077CC..Hα-helixtrans-62.4-36.5-178.500000113.5N118 S119 H125 L126 F295 L341 V349 L350N118-A122 VanDerWaalsContact O-CB 3.23Å; N118-A122 WeakPolarHBondContact O-CB 3.33Å; N118-A122 PolarHBondContact O-N 3.32Å; S119-A122 PolarHBondContact O-N 3.4Å; A122-H125 PolarHBondContact O-N 3.31Å; A122-L126 VanDerWaalsContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CB 3.34Å; A122-L126 PolarHBondContact O-N 3.27Å; A122-F295 HydrophobicContact CB-CD2 3.9Å; A122-F295 HydrophobicContact CB-CE2 3.4Å; A122-F295 VanDerWaalsContact CB-CE2 3.4Å; A122-F295 HydrophobicContact CB-CZ 4.02Å; A122-L341 HydrophobicContact CB-CD2 4.4Å; A122-V349 HydrophobicContact CB-CG1 4.28Å; A122-L350 HydrophobicContact CB-CD1 3.77Å; A122-L350 HydrophobicContact CB-CD2 3.82Å; A122-L350 HydrophobicContact CB-CG 3.75Å
123A98.8Very high97.7Very high0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-65.4-42.1176.700000112.2S119 E120 I121 H125 L126 D127 M265 N291S119-A123 VanDerWaalsContact O-CB 3.23Å; S119-A123 WeakPolarHBondContact O-CB 3.35Å; S119-A123 PolarHBondContact O-N 3.06Å; E120-A123 PolarHBondContact O-N 3.42Å; I121-A123 VanDerWaalsContact C-N 3.31Å; I121-A123 PolarHBondContact O-N 3.21Å; A123-H125 PolarHBondContact O-N 3.24Å; A123-L126 PolarHBondContact O-N 3.4Å; A123-D127 VanDerWaalsContact O-CB 3.32Å; A123-D127 WeakPolarHBondContact O-CB 3.48Å; A123-D127 PolarHBondContact O-N 3.08Å; A123-M265 HydrophobicContact CB-SD 3.8Å; A123-N291 HydrophobicContact CB-CB 3.33Å
124F98.6Very high97.9Very high6 Ų613.5 Ų13.53%0.0267%0.073CC..Hα-helixtrans-59.9-45.5174.2165.2-110000112Y49 L55 M59 E120 I121 D127 K128 A135 P137 T138Y49-F124 HydrophobicContact CD1-CE2 4.37Å; Y49-F124 HydrophobicContact CE1-CD2 4.26Å; Y49-F124 AromaticContact CE1-CE2 3.66Å; Y49-F124 HydrophobicContact CE1-CE2 3.66Å; Y49-F124 HydrophobicContact CE2-CE2 4.35Å; Y49-F124 AromaticContact CZ-CE2 3.63Å; L55-F124 HydrophobicContact CD1-CZ 4.14Å; L55-F124 HydrophobicContact CD2-CZ 4.12Å; M59-F124 HydrophobicContact CE-CD1 4.32Å; M59-F124 HydrophobicContact CE-CE1 3.7Å; M59-F124 HydrophobicContact CE-CZ 4.3Å; E120-F124 PolarHBondContact O-N 3.35Å; E120-F124 VanDerWaalsContact O-N 3.16Å; I121-F124 PolarHBondContact O-N 2.83Å; F124-D127 WeakPolarHBondContact O-CB 3.17Å; F124-D127 PolarHBondContact O-N 3.38Å; F124-K128 PolarHBondContact O-N 3.5Å; F124-K128 VanDerWaalsContact O-N 3.07Å; F124-A135 HydrophobicContact CB-CB 4.35Å; F124-A135 HydrophobicContact CD2-CB 4.09Å; F124-P137 HydrophobicContact CE2-CB 4.16Å; F124-P137 HydrophobicContact CE2-CG 4.38Å; F124-P137 HydrophobicContact CZ-CB 4.27Å; F124-T138 WeakPolarHBondContact CD1-O 3.49Å
125H98.7Very high98Very high9 Ų912.7 Ų12.74%0.0427%0.069CC..Hα-helixtrans-67.7-38.7177.2-80.1-94.6000112.7I121 A122 A123 K128 V129 L337 S340 L341I121-H125 PolarHBondContact O-CD2 3.46Å; I121-H125 VanDerWaalsContact O-CD2 3.31Å; I121-H125 PolarHBondContact O-N 3.3Å; I121-H125 VanDerWaalsContact O-N 3.15Å; A122-H125 PolarHBondContact O-N 3.31Å; A123-H125 PolarHBondContact O-N 3.24Å; H125-K128 WeakPolarHBondContact O-CB 3.21Å; H125-K128 PolarHBondContact O-N 3.36Å; H125-V129 WeakPolarHBondContact O-CB 3.48Å; H125-V129 VanDerWaalsContact O-CG2 3.28Å; H125-V129 WeakPolarHBondContact O-CG2 3.48Å; H125-V129 PolarHBondContact O-N 3.02Å; H125-L337 HydrophobicContact CB-CD1 3.89Å; H125-S340 PolarHBondContact CE1-O 3.48Å; H125-S340 VanDerWaalsContact ND1-C 3.32Å; H125-S340 PolarHBondContact ND1-O 3.34Å; H125-S340 PolarHBondContact ND1-OG 3.19Å; H125-L341 HydrophobicContact CB-CD2 3.61Å; H125-L341 HydrophobicContact CB-CG 4.26Å
126L98.8Very high98Very high0 Ų011.1 Ų11.10%06%0.062CC..Hα-helixtrans-65.2-41.4175.6179.658.2000111.7A122 A123 K128 V129 L130 L261 L264 M265 F295 I333 L337A122-L126 VanDerWaalsContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CB 3.34Å; A122-L126 PolarHBondContact O-N 3.27Å; A123-L126 PolarHBondContact O-N 3.4Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.23Å; L126-V129 PolarHBondContact O-N 2.84Å; L126-L130 HydrophobicContact CD1-CD1 4.09Å; L126-L130 HydrophobicContact CD1-CG 4.2Å; L126-L130 HydrophobicContact CG-CD1 4.01Å; L126-L130 WeakPolarHBondContact O-CB 3.14Å; L126-L130 WeakPolarHBondContact O-CG 3.19Å; L126-L130 PolarHBondContact O-N 2.98Å; L126-L261 HydrophobicContact CB-CD1 4.23Å; L126-L261 HydrophobicContact CD2-CD1 3.76Å; L126-L261 HydrophobicContact CG-CD1 3.74Å; L126-L264 HydrophobicContact CD2-CB 4.03Å; L126-M265 HydrophobicContact CD2-CB 4.35Å; L126-F295 HydrophobicContact CD2-CZ 4.26Å; L126-I333 HydrophobicContact CD1-CD1 3.94Å; L126-I333 HydrophobicContact CD1-CG1 4.3Å; L126-L337 HydrophobicContact CB-CD1 4.11Å; L126-L337 HydrophobicContact CD1-CD2 4.39Å
127D98.7Very high98Very high0 Ų010.4 Ų10.40%06%0.06CC..Hα-helixtrans-57-44.7173-177.4-92.5000112Y49 A123 F124 L130 G131 Y132 H133 R134 A135 H288Y49-D127 PolarHBondContact OH-OD1 2.77Å; A123-D127 VanDerWaalsContact O-CB 3.32Å; A123-D127 WeakPolarHBondContact O-CB 3.48Å; A123-D127 PolarHBondContact O-N 3.08Å; F124-D127 WeakPolarHBondContact O-CB 3.17Å; F124-D127 PolarHBondContact O-N 3.38Å; D127-L130 PolarHBondContact O-N 3.26Å; D127-G131 PolarHBondContact O-N 2.93Å; D127-Y132 PolarHBondContact O-N 2.98Å; D127-Y132 WeakPolarHBondContact OD2-CB 3.22Å; D127-H133 WeakPolarHBondContact OD1-CA 3.48Å; D127-H133 PolarHBondContact OD1-N 3.37Å; D127-R134 PolarHBondContact OD1-N 3.11Å; D127-A135 HydrophobicContact CB-CB 3.57Å; D127-A135 PolarHBondContact OD1-N 2.85Å; D127-A135 VanDerWaalsContact OD1-N 3.09Å; D127-H288 IonicContact OD2-CE1 3.77Å; D127-H288 PolarHBondContact OD2-CE1 3.34Å; D127-H288 IonicContact OD2-CG 2.61Å; D127-H288 IonicContact OD2-ND1 2.81Å; D127-H288 PolarHBondContact OD2-ND1 3.01Å
128K97.5Very high98Very high58 Ų5810.3 Ų10.325%0.2526%0.059SC..Hα-helixtrans-61.9-45.9174-173.3174.7-178.2171.40112.2Y49 N52 F124 H125 L126 L130 G131Y49-K128 HydrophobicContact CE2-CB 4.34Å; Y49-K128 HydrophobicContact CE2-CD 4.4Å; Y49-K128 HydrophobicContact CE2-CG 4.16Å; Y49-K128 WeakPolarHBondContact OH-CA 3.03Å; Y49-K128 WeakPolarHBondContact OH-CB 3.3Å; Y49-K128 PolarHBondContact OH-N 3.25Å; N52-K128 WeakPolarHBondContact OD1-CE 3.47Å; N52-K128 PolarHBondContact OD1-NZ 3.38Å; F124-K128 PolarHBondContact O-N 3.5Å; F124-K128 VanDerWaalsContact O-N 3.07Å; H125-K128 WeakPolarHBondContact O-CB 3.21Å; H125-K128 PolarHBondContact O-N 3.36Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.23Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.16Å; K128-G131 PolarHBondContact O-N 3.08Å
129V98Very high98Very high14 Ų1410.3 Ų10.39%0.0856%0.059CC..Hα-helixtrans-61.9-38.6178.4165.20000110.9H125 L126 G131 Y326 I333 A336H125-V129 WeakPolarHBondContact O-CB 3.48Å; H125-V129 VanDerWaalsContact O-CG2 3.28Å; H125-V129 WeakPolarHBondContact O-CG2 3.48Å; H125-V129 PolarHBondContact O-N 3.02Å; L126-V129 PolarHBondContact O-N 2.84Å; V129-G131 PolarHBondContact O-N 3.5Å; V129-Y326 HydrophobicContact CG1-CE1 4.37Å; V129-Y326 HydrophobicContact CG1-CE2 3.69Å; V129-Y326 WeakPolarHBondContact CG1-OH 3.39Å; V129-Y326 VanDerWaalsContact O-CE2 3.3Å; V129-Y326 WeakPolarHBondContact O-CE2 3.47Å; V129-Y326 PolarHBondContact O-OH 2.92Å; V129-I333 HydrophobicContact CG1-CG1 4.03Å; V129-A336 HydrophobicContact CG1-CB 3.97Å
130L98Very high98Very high3 Ų310.3 Ų10.32%0.0166%0.059CC..THydrogen-bonded Turntrans-72.8-9.4175.7-68.9168.2000113.6L126 D127 K128 Y132 L261 L264 L323 I333L126-L130 HydrophobicContact CD1-CD1 4.09Å; L126-L130 HydrophobicContact CD1-CG 4.2Å; L126-L130 HydrophobicContact CG-CD1 4.01Å; L126-L130 WeakPolarHBondContact O-CB 3.14Å; L126-L130 WeakPolarHBondContact O-CG 3.19Å; L126-L130 PolarHBondContact O-N 2.98Å; D127-L130 PolarHBondContact O-N 3.26Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.16Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 HydrophobicContact CB-CD1 4.26Å; L130-Y132 HydrophobicContact CB-CD2 3.8Å; L130-Y132 HydrophobicContact CB-CE1 4.23Å; L130-Y132 HydrophobicContact CB-CE2 3.78Å; L130-Y132 HydrophobicContact CB-CG 4.06Å; L130-Y132 HydrophobicContact CD1-CD2 4.03Å; L130-Y132 HydrophobicContact CD1-CE2 3.48Å; L130-Y132 VanDerWaalsContact CD1-CE2 3.48Å; L130-Y132 HydrophobicContact CG-CE2 4.22Å; L130-L261 HydrophobicContact CD1-CD1 3.96Å; L130-L264 HydrophobicContact CD1-CD1 3.89Å; L130-L264 HydrophobicContact CD2-CD1 4.02Å; L130-L323 HydrophobicContact CD2-CD2 3.83Å; L130-I333 HydrophobicContact CD2-CD1 3.77Å; L130-I333 HydrophobicContact CG-CD1 4.45Å
131G96.3Very high98Very high42 Ų4211.4 Ų11.443%0.4336%0.063SC..THydrogen-bonded Turntrans69.826.9-177.700000112.8D127 K128 V129 H133D127-G131 PolarHBondContact O-N 2.93Å; K128-G131 PolarHBondContact O-N 3.08Å; V129-G131 PolarHBondContact O-N 3.5Å; G131-H133 PolarHBondContact O-CD2 2.76Å
132Y97.1Very high98Very high7 Ų714.9 Ų14.93%0.0278%0.084CC..  trans-79.4-44.1178.4-69.6-23.3000111.9D127 L130 R134 D257 L261 H288 T319D127-Y132 PolarHBondContact O-N 2.98Å; D127-Y132 WeakPolarHBondContact OD2-CB 3.22Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 HydrophobicContact CB-CD1 4.26Å; L130-Y132 HydrophobicContact CB-CD2 3.8Å; L130-Y132 HydrophobicContact CB-CE1 4.23Å; L130-Y132 HydrophobicContact CB-CE2 3.78Å; L130-Y132 HydrophobicContact CB-CG 4.06Å; L130-Y132 HydrophobicContact CD1-CD2 4.03Å; L130-Y132 HydrophobicContact CD1-CE2 3.48Å; L130-Y132 VanDerWaalsContact CD1-CE2 3.48Å; L130-Y132 HydrophobicContact CG-CE2 4.22Å; Y132-R134 VanDerWaalsContact C-N 3.28Å; Y132-R134 WeakPolarHBondContact O-CG 3.47Å; Y132-R134 PolarHBondContact O-N 2.86Å; Y132-D257 HydrophobicContact CE1-CB 3.95Å; Y132-D257 VanDerWaalsContact CE1-CG 3.49Å; Y132-D257 WeakPolarHBondContact CE1-OD2 3.4Å; Y132-D257 HydrophobicContact CE2-CB 4.31Å; Y132-D257 PolarHBondContact OH-O 3.2Å; Y132-L261 HydrophobicContact CE2-CB 4.16Å; Y132-H288 AromaticContact CD2-CE1 3.61Å; Y132-H288 AromaticContact CG-CE1 3.99Å; Y132-T319 HydrophobicContact CE1-CG2 3.95Å; Y132-T319 WeakPolarHBondContact OH-CG2 3.32Å
133H97Very high98Very high42 Ų4214.9 Ų14.919%0.1948%0.084CC..  trans59.438.3179.7-56.2-66.1000113E47 I48 Y49 D127 G131E47-H133 CarbonylContact C-O 3.52Å; E47-H133 HydrophobicContact CB-CB 4.02Å; I48-H133 PolarHBondContact N-O 3.08Å; Y49-H133 HydrophobicContact CD2-CB 4.32Å; Y49-H133 AromaticContact CD2-ND1 3.51Å; Y49-H133 HydrophobicContact CE1-CB 4.42Å; Y49-H133 HydrophobicContact CE2-CB 4.21Å; Y49-H133 AromaticContact CE2-ND1 3.1Å; Y49-H133 WeakPolarHBondContact CE2-ND1 3.15Å; Y49-H133 AromaticContact CZ-ND1 3.77Å; Y49-H133 VanDerWaalsContact O-CB 3.23Å; Y49-H133 WeakPolarHBondContact O-CB 3.32Å; Y49-H133 PolarHBondContact O-ND1 3.02Å; D127-H133 WeakPolarHBondContact OD1-CA 3.48Å; D127-H133 PolarHBondContact OD1-N 3.37Å; G131-H133 PolarHBondContact O-CD2 2.76Å
134R97.2Very high97.9Very high13 Ų1316.5 Ų16.55%0.0499%0.093CC..  trans-127.1-1.5-173.5-70.8-174.8-53.8-103.610.5114I48 D127 Y132 D257 A286 H288I48-R134 WeakPolarHBondContact CD1-O 3.47Å; D127-R134 PolarHBondContact OD1-N 3.11Å; Y132-R134 VanDerWaalsContact C-N 3.28Å; Y132-R134 WeakPolarHBondContact O-CG 3.47Å; Y132-R134 PolarHBondContact O-N 2.86Å; R134-D257 IonicContact CZ-OD2 2.78Å; R134-D257 IonicContact NH1-OD2 3.58Å; R134-D257 IonicContact NH2-OD2 3.33Å; R134-D257 PolarHBondContact NH2-OD2 3.38Å; R134-A286 WeakPolarHBondContact CD-O 3.26Å; R134-H288 PolarHBondContact NE-CE1 2.76Å; R134-H288 PolarHBondContact NE-NE2 3.44Å; R134-H288 PolarHBondContact NH2-CE1 3.4Å; R134-H288 PolarHBondContact O-N 3.32Å
135A97.7Very high97.9Very high1 Ų116.2 Ų16.21%0.0089%0.092CC..BIsolated β-bridgetrans-80.7150.1167.800000111.5Y49 F124 D127 H288Y49-A135 WeakPolarHBondContact CE1-O 3.34Å; F124-A135 HydrophobicContact CB-CB 4.35Å; F124-A135 HydrophobicContact CD2-CB 4.09Å; D127-A135 HydrophobicContact CB-CB 3.57Å; D127-A135 PolarHBondContact OD1-N 2.85Å; D127-A135 VanDerWaalsContact OD1-N 3.09Å; A135-H288 HydrophobicContact CB-CB 4.23Å
136I96.7Very high97.9Very high5 Ų517.6 Ų17.63%0.02610%0.101CC..PPolyproline II helixtrans-75.5134.2173.7-57.8-71000108.8I48 T138 Q197 M198 I200 F276 V287 V289I48-I136 HydrophobicContact CD1-CD1 3.67Å; I48-I136 HydrophobicContact CD1-CG1 4.4Å; I136-T138 PolarHBondContact O-N 3.15Å; I136-T138 PolarHBondContact O-OG1 2.57Å; I136-Q197 HydrophobicContact CB-CG 3.91Å; I136-Q197 HydrophobicContact CG2-CG 3.47Å; I136-Q197 VanDerWaalsContact CG2-CG 3.47Å; I136-M198 HydrophobicContact CG2-CB 4.14Å; I136-M198 WeakPolarHBondContact CG2-O 3.26Å; I136-I200 HydrophobicContact CD1-CG1 4.13Å; I136-F276 HydrophobicContact CD1-CE2 4.24Å; I136-F276 HydrophobicContact CD1-CZ 3.6Å; I136-V287 HydrophobicContact CD1-CG1 3.88Å; I136-V287 HydrophobicContact CG1-CG1 3.88Å; I136-V289 HydrophobicContact CB-CG1 4.46Å; I136-V289 HydrophobicContact CG1-CG1 3.52Å
137P97.8Very high97.8Very high0 Ų020.1 Ų20.10%012%0.118CC..PPolyproline II helixtrans-53.4125.1178.8-23.631.2000112.2F39 L55 M59 F124 Q197 M198F39-P137 HydrophobicContact CE1-CG 3.66Å; F39-P137 HydrophobicContact CE2-CG 4.11Å; F39-P137 HydrophobicContact CZ-CG 3.29Å; L55-P137 HydrophobicContact CD1-CB 3.96Å; L55-P137 HydrophobicContact CD1-CG 3.79Å; M59-P137 HydrophobicContact CG-CB 4.38Å; M59-P137 HydrophobicContact SD-CB 3.41Å; M59-P137 WeakPolarHBondContact SD-CB 3.25Å; F124-P137 HydrophobicContact CE2-CB 4.16Å; F124-P137 HydrophobicContact CE2-CG 4.38Å; F124-P137 HydrophobicContact CZ-CB 4.27Å; P137-Q197 WeakPolarHBondContact O-CA 3.37Å; P137-M198 HydrophobicContact CB-CG 4.13Å; P137-M198 HydrophobicContact CB-SD 4.04Å; P137-M198 HydrophobicContact CG-SD 4.07Å; P137-M198 PolarHBondContact O-N 2.84Å
138T98.5Very high97.8Very high1 Ų121.7 Ų21.71%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-137.2125.1-175.2-54.10000109.6M59 E120 I121 F124 I136 L196 Q197M59-T138 WeakPolarHBondContact CE-O 3.34Å; E120-T138 HydrophobicContact CB-CG2 3.98Å; I121-T138 HydrophobicContact CG1-CG2 4.04Å; F124-T138 WeakPolarHBondContact CD1-O 3.49Å; I136-T138 PolarHBondContact O-N 3.15Å; I136-T138 PolarHBondContact O-OG1 2.57Å; T138-L196 WeakPolarHBondContact CA-O 3.28Å; T138-Q197 HydrophobicContact CG2-CB 4.09Å; T138-Q197 WeakPolarHBondContact OG1-CG 3.34Å; T138-Q197 PolarHBondContact OG1-NE2 3.08Å
139I98.5Very high97.8Very high14 Ų1419 Ų197%0.07212%0.115CC..EExtended strand (participates in β ladder)trans-122.6151.1-177.2-163.7152.2000111.1M59 L62 L196 D344 P345M59-I139 HydrophobicContact CB-CD1 4.22Å; M59-I139 HydrophobicContact CE-CB 3.59Å; M59-I139 HydrophobicContact CE-CD1 4.04Å; M59-I139 HydrophobicContact CE-CG1 4.14Å; M59-I139 HydrophobicContact SD-CB 4.36Å; L62-I139 HydrophobicContact CB-CG2 4.37Å; L62-I139 HydrophobicContact CD2-CG2 3.77Å; L62-I139 HydrophobicContact CG-CG2 3.93Å; I139-L196 HydrophobicContact CG2-CB 4.19Å; I139-L196 PolarHBondContact N-O 2.98Å; I139-L196 PolarHBondContact O-N 2.91Å; I139-D344 WeakPolarHBondContact CA-OD2 3.42Å; I139-P345 HydrophobicContact CD1-CG 4.11Å; I139-P345 HydrophobicContact CG1-CG 4.15Å
140G98.5Very high97.8Very high0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-73.9137.8165.700000112.7D344G140-D344 WeakPolarHBondContact CA-OD1 3.29Å; G140-D344 PolarHBondContact N-OD1 3.49Å; G140-D344 PolarHBondContact N-OD2 3.33Å
141R98.2Very high97.8Very high24 Ų2426.5 Ų26.59%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-142.3137.2171.8-169.1173.7172.9159.8-2.4110.6L62 S63 M65 L143 G194 L196L62-R141 PolarHBondContact O-NH1 3.11Å; S63-R141 VanDerWaalsContact O-CD 3.25Å; S63-R141 WeakPolarHBondContact O-CD 3.44Å; S63-R141 PolarHBondContact O-NE 3.21Å; S63-R141 VanDerWaalsContact O-NE 3.14Å; S63-R141 PolarHBondContact O-NH1 2.61Å; M65-R141 PolarHBondContact O-NH1 3.15Å; M65-R141 PolarHBondContact O-NH2 2.71Å; R141-L143 HydrophobicContact CG-CD2 3.76Å; R141-G194 PolarHBondContact N-O 3.21Å; R141-G194 PolarHBondContact O-N 3.32Å; R141-L196 HydrophobicContact CB-CB 4.5Å
142V98.1Very high97.9Very high73 Ų7325.5 Ų25.544%0.44214%0.136SC..EExtended strand (participates in β ladder)trans-96.7122.1169.6-174.70000107.6Q191 E193 V346V142-Q191 HydrophobicContact CG1-CB 4.17Å; V142-E193 HydrophobicContact CG2-CB 4.27Å; V142-E193 HydrophobicContact CG2-CG 4.16Å; V142-V346 HydrophobicContact CG2-CG1 4.24Å
143L98.1Very high97.9Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-105.5143-179.9-60.5-175000110.8I67 L83 F93 R141 L145 D148 L149 Q191 K192I67-L143 HydrophobicContact CD1-CD1 4.25Å; I67-L143 HydrophobicContact CD1-CD2 3.65Å; L83-L143 HydrophobicContact CD1-CD1 4.01Å; F93-L143 HydrophobicContact CD1-CD1 4.24Å; F93-L143 HydrophobicContact CD2-CD1 3.81Å; F93-L143 HydrophobicContact CE1-CD1 4Å; F93-L143 HydrophobicContact CE2-CD1 3.54Å; F93-L143 HydrophobicContact CE2-CG 3.94Å; F93-L143 HydrophobicContact CG-CD1 4.14Å; F93-L143 HydrophobicContact CZ-CD1 3.65Å; F93-L143 HydrophobicContact CZ-CG 4.14Å; R141-L143 HydrophobicContact CG-CD2 3.76Å; L143-L145 PolarHBondContact O-N 2.9Å; L143-D148 WeakPolarHBondContact CA-OD2 3.15Å; L143-D148 HydrophobicContact CB-CB 4.08Å; L143-D148 HydrophobicContact CD2-CB 4.18Å; L143-L149 HydrophobicContact CD1-CD1 4.19Å; L143-L149 HydrophobicContact CD1-CD2 3.95Å; L143-L149 HydrophobicContact CD1-CG 4.11Å; L143-Q191 WeakPolarHBondContact O-CA 3.45Å; L143-Q191 PolarHBondContact O-OE1 2.98Å; L143-K192 PolarHBondContact N-O 3.02Å; L143-K192 PolarHBondContact O-N 3.05Å
144N98.1Very high97.9Very high34 Ų3425.5 Ų25.518%0.18214%0.138CC..EExtended strand (participates in β ladder)trans-78112.8161.9-173.3-51.7000108.7T146 S147 D148 D190 Q191N144-T146 PolarHBondContact O-N 3.42Å; N144-T146 VanDerWaalsContact O-N 3.15Å; N144-T146 WeakPolarHBondContact OD1-CA 3.32Å; N144-T146 WeakPolarHBondContact OD1-CB 3.48Å; N144-T146 PolarHBondContact OD1-N 3.14Å; N144-S147 WeakPolarHBondContact CB-OG 3.32Å; N144-S147 PolarHBondContact O-N 3.01Å; N144-S147 PolarHBondContact OD1-N 2.91Å; N144-D148 PolarHBondContact N-OD2 2.82Å; N144-D148 WeakPolarHBondContact O-CA 3.39Å; N144-D148 VanDerWaalsContact O-CB 3.23Å; N144-D148 WeakPolarHBondContact O-CB 3.48Å; N144-D148 PolarHBondContact O-N 3.39Å; N144-D190 PolarHBondContact ND2-OD2 3.15Å; N144-D190 PolarHBondContact OD1-OD2 3.37Å; N144-Q191 PolarHBondContact ND2-NE2 3.27Å; N144-Q191 VanDerWaalsContact ND2-NE2 3.2Å
145L98.3Very high97.9Very high0 Ų030 Ų300%016%0.163CC..Iπ-helixtrans-57.4-29.2-178.8-68.6-175.3000113.1L143 L149 M150 L169 F171 D190 K192L143-L145 PolarHBondContact O-N 2.9Å; L145-L149 HydrophobicContact CD2-CD1 3.71Å; L145-M150 VanDerWaalsContact O-CB 3.29Å; L145-M150 WeakPolarHBondContact O-CB 3.38Å; L145-M150 PolarHBondContact O-N 3.08Å; L145-L169 HydrophobicContact CB-CD2 3.65Å; L145-L169 HydrophobicContact CB-CG 4.14Å; L145-L169 HydrophobicContact CD1-CB 4.31Å; L145-L169 HydrophobicContact CD1-CG 4.39Å; L145-L169 WeakPolarHBondContact CD1-O 3.33Å; L145-F171 HydrophobicContact CD2-CD1 4.16Å; L145-F171 HydrophobicContact CD2-CE1 3.86Å; L145-D190 WeakPolarHBondContact CB-O 3.31Å; L145-D190 WeakPolarHBondContact CG-O 3.08Å; L145-D190 PolarHBondContact N-O 3.31Å; L145-K192 HydrophobicContact CD1-CB 4.29Å; L145-K192 HydrophobicContact CD2-CB 3.51Å; L145-K192 HydrophobicContact CD2-CG 4.2Å; L145-K192 HydrophobicContact CG-CB 3.9Å
146T97.7Very high97.8Very high39 Ų3932.8 Ų32.824%0.23918%0.18CC..Iπ-helixtrans-74.2-66.4176.5-50.90000110.1N144 M150 E151N144-T146 PolarHBondContact O-N 3.42Å; N144-T146 VanDerWaalsContact O-N 3.15Å; N144-T146 WeakPolarHBondContact OD1-CA 3.32Å; N144-T146 WeakPolarHBondContact OD1-CB 3.48Å; N144-T146 PolarHBondContact OD1-N 3.14Å; T146-M150 HydrophobicContact CG2-CE 3.96Å; T146-M150 PolarHBondContact O-N 3.4Å; T146-E151 WeakPolarHBondContact O-CG 3.34Å; T146-E151 PolarHBondContact O-N 3.43Å
147S97.6Very high97.9Very high52 Ų5232.6 Ų32.636%0.36418%0.179SC..Iπ-helixtrans-80.3-34.7-168.963.40000114.1N144N144-S147 WeakPolarHBondContact CB-OG 3.32Å; N144-S147 PolarHBondContact O-N 3.01Å; N144-S147 PolarHBondContact OD1-N 2.91Å
148D97.9Very high97.9Very high34 Ų3437.1 Ų37.118%0.18220%0.196CC..Iπ-helixtrans-85.1-27.6-177.5-66.1-40.7000112.3I67 L143 N144 T152I67-D148 HydrophobicContact CD1-CB 3.87Å; I67-D148 WeakPolarHBondContact CG2-O 3.46Å; L143-D148 WeakPolarHBondContact CA-OD2 3.15Å; L143-D148 HydrophobicContact CB-CB 4.08Å; L143-D148 HydrophobicContact CD2-CB 4.18Å; N144-D148 PolarHBondContact N-OD2 2.82Å; N144-D148 WeakPolarHBondContact O-CA 3.39Å; N144-D148 VanDerWaalsContact O-CB 3.23Å; N144-D148 WeakPolarHBondContact O-CB 3.48Å; N144-D148 PolarHBondContact O-N 3.39Å; D148-T152 PolarHBondContact O-OG1 2.92Å
149L98Very high97.8Very high0 Ų043.6 Ų43.60%023%0.231CC..Iπ-helixtrans-119.6-65.4-174.3-62.9-178000113.5S70 L81 L83 F93 L143 L145 E151 T152 A153 F161 F171S70-L149 PolarHBondContact OG-O 3.47Å; L81-L149 HydrophobicContact CD1-CD1 4.08Å; L81-L149 HydrophobicContact CD1-CD2 3.98Å; L83-L149 HydrophobicContact CD2-CD2 3.64Å; F93-L149 HydrophobicContact CE1-CD1 4.42Å; L143-L149 HydrophobicContact CD1-CD1 4.19Å; L143-L149 HydrophobicContact CD1-CD2 3.95Å; L143-L149 HydrophobicContact CD1-CG 4.11Å; L145-L149 HydrophobicContact CD2-CD1 3.71Å; L149-E151 PolarHBondContact O-N 2.98Å; L149-T152 CarbonylContact O-C 3.44Å; L149-T152 PolarHBondContact O-N 2.9Å; L149-T152 VanDerWaalsContact O-N 3.14Å; L149-T152 PolarHBondContact O-OG1 3.44Å; L149-T152 VanDerWaalsContact O-OG1 3.14Å; L149-A153 WeakPolarHBondContact O-CA 3.31Å; L149-A153 VanDerWaalsContact O-CB 3.29Å; L149-A153 WeakPolarHBondContact O-CB 3.22Å; L149-A153 PolarHBondContact O-N 3.11Å; L149-F161 HydrophobicContact CB-CZ 3.95Å; L149-F171 HydrophobicContact CD1-CE1 4.28Å
150M97.8Very high97.7Very high49 Ų4943.9 Ų43.924%0.24123%0.233CC..Iπ-helixtrans-61.1-42.4-171.1-172.2-179.47300113.1L145 T146 R158 F161 L169L145-M150 VanDerWaalsContact O-CB 3.29Å; L145-M150 WeakPolarHBondContact O-CB 3.38Å; L145-M150 PolarHBondContact O-N 3.08Å; T146-M150 HydrophobicContact CG2-CE 3.96Å; T146-M150 PolarHBondContact O-N 3.4Å; M150-R158 PolarHBondContact O-NH1 3.3Å; M150-F161 HydrophobicContact CB-CD1 4.06Å; M150-F161 HydrophobicContact CB-CD2 4.43Å; M150-F161 HydrophobicContact CB-CE1 3.85Å; M150-F161 HydrophobicContact CB-CE2 4.22Å; M150-F161 HydrophobicContact CB-CG 4.35Å; M150-F161 HydrophobicContact CB-CZ 3.93Å; M150-F161 HydrophobicContact CG-CB 4.45Å; M150-F161 HydrophobicContact CG-CD1 4.12Å; M150-F161 HydrophobicContact CG-CD2 4.19Å; M150-F161 HydrophobicContact CG-CE1 4.39Å; M150-F161 HydrophobicContact CG-CE2 4.44Å; M150-F161 HydrophobicContact CG-CG 4.01Å; M150-F161 HydrophobicContact SD-CB 4.34Å; M150-F161 HydrophobicContact SD-CD1 4.29Å; M150-F161 HydrophobicContact SD-CG 4.35Å; M150-L169 HydrophobicContact SD-CD1 4.22Å; M150-L169 HydrophobicContact SD-CD2 4.3Å
151E97.8Very high97.7Very high126 Ų12645.3 Ų45.359%0.58924%0.239SC*.THydrogen-bonded Turntrans-69.3-33.7177.4-72.4176.8-177.500112.2T146 L149 R158T146-E151 WeakPolarHBondContact O-CG 3.34Å; T146-E151 PolarHBondContact O-N 3.43Å; L149-E151 PolarHBondContact O-N 2.98Å; E151-R158 PolarHBondContact O-NH1 2.91Å
152T98.1Very high97.7Very high22 Ų2247.1 Ų47.114%0.13525%0.248CC..THydrogen-bonded Turntrans-90.9-5.6-178.470.70000113.7I67 K69 S70 D148 L149I67-T152 HydrophobicContact CG2-CG2 4.46Å; K69-T152 CarbonylContact C-O 3.49Å; K69-T152 WeakPolarHBondContact CA-O 3.46Å; S70-T152 WeakPolarHBondContact CB-OG1 3.48Å; S70-T152 PolarHBondContact N-O 2.94Å; S70-T152 PolarHBondContact OG-OG1 3.42Å; D148-T152 PolarHBondContact O-OG1 2.92Å; L149-T152 CarbonylContact O-C 3.44Å; L149-T152 PolarHBondContact O-N 2.9Å; L149-T152 VanDerWaalsContact O-N 3.14Å; L149-T152 PolarHBondContact O-OG1 3.44Å; L149-T152 VanDerWaalsContact O-OG1 3.14Å
153A98.2Very high97.7Very high5 Ų551.2 Ų51.24%0.04126%0.257CS..BIsolated β-bridgetrans-65.6146.3-174.900000112.1S70 L149 L157 R158S70-A153 CarbonylContact O-C 3.37Å; S70-A153 VanDerWaalsContact O-CA 3.3Å; S70-A153 WeakPolarHBondContact O-CA 3.32Å; S70-A153 VanDerWaalsContact OG-CA 3.25Å; S70-A153 WeakPolarHBondContact OG-CA 3.42Å; S70-A153 PolarHBondContact OG-N 3.39Å; L149-A153 WeakPolarHBondContact O-CA 3.31Å; L149-A153 VanDerWaalsContact O-CB 3.29Å; L149-A153 WeakPolarHBondContact O-CB 3.22Å; L149-A153 PolarHBondContact O-N 3.11Å; A153-L157 HydrophobicContact CB-CB 4.03Å; A153-L157 HydrophobicContact CB-CD2 3.98Å; A153-L157 HydrophobicContact CB-CG 3.98Å; A153-R158 HydrophobicContact CB-CB 3.95Å; A153-R158 PolarHBondContact O-NH1 2.83Å; A153-R158 PolarHBondContact O-NH2 2.74Å
154D97.1Very high97.7Very high43 Ų4352 Ų5223%0.2326%0.263CS..  trans-67.5162.6157.472.8-2.2000110.8S70 T156 L157 R158S70-D154 PolarHBondContact O-N 3.27Å; D154-T156 PolarHBondContact O-N 3Å; D154-L157 PolarHBondContact O-N 2.71Å; D154-L157 VanDerWaalsContact O-N 3.15Å; D154-L157 WeakPolarHBondContact OD1-CB 3.44Å; D154-L157 PolarHBondContact OD1-N 3.01Å; D154-R158 VanDerWaalsContact O-CB 3.28Å; D154-R158 WeakPolarHBondContact O-CB 3.32Å; D154-R158 PolarHBondContact O-N 2.96Å
155D97Very high97.7Very high109 Ų10957.3 Ų57.358%0.58330%0.298SS*.Hα-helixtrans-58.8-36.6-174.5-60.5-24.7000111.9L157 R158 D159D155-L157 PolarHBondContact O-N 2.86Å; D155-R158 PolarHBondContact O-N 2.85Å; D155-R158 IonicContact OD1-NE 2.87Å; D155-R158 IonicContact OD1-NH2 2.89Å; D155-D159 WeakPolarHBondContact O-CB 3.11Å; D155-D159 PolarHBondContact O-N 2.95Å
156T96.3Very high97.6Very high59 Ų5962.9 Ų62.936%0.36233%0.332SS..Hα-helixtrans-63.2-43.5178.5-56.90000112.6I72 D154 T160 L174I72-T156 HydrophobicContact CD1-CG2 3.95Å; D154-T156 PolarHBondContact O-N 3Å; T156-T160 WeakPolarHBondContact O-CG2 3.18Å; T156-L174 HydrophobicContact CG2-CD1 3.4Å; T156-L174 VanDerWaalsContact CG2-CD1 3.4Å
157L97.4Very high97.6Very high0 Ų063 Ų630%034%0.341CS..Hα-helixtrans-72.6-42175.6177.258.8000111.1I72 L81 A153 D154 D155 D159 T160 F161I72-L157 HydrophobicContact CD1-CB 4.39Å; I72-L157 HydrophobicContact CD1-CD1 4.47Å; I72-L157 HydrophobicContact CG1-CB 3.95Å; I72-L157 HydrophobicContact CG1-CD1 4Å; I72-L157 HydrophobicContact CG1-CG 4.47Å; L81-L157 HydrophobicContact CD1-CD2 4.2Å; L81-L157 HydrophobicContact CD2-CD1 3.77Å; L81-L157 HydrophobicContact CD2-CD2 3.98Å; A153-L157 HydrophobicContact CB-CB 4.03Å; A153-L157 HydrophobicContact CB-CD2 3.98Å; A153-L157 HydrophobicContact CB-CG 3.98Å; D154-L157 PolarHBondContact O-N 2.71Å; D154-L157 VanDerWaalsContact O-N 3.15Å; D154-L157 WeakPolarHBondContact OD1-CB 3.44Å; D154-L157 PolarHBondContact OD1-N 3.01Å; D155-L157 PolarHBondContact O-N 2.86Å; L157-D159 VanDerWaalsContact C-N 3.31Å; L157-D159 PolarHBondContact O-N 3.48Å; L157-T160 WeakPolarHBondContact O-CB 3.42Å; L157-T160 PolarHBondContact O-N 2.81Å; L157-T160 PolarHBondContact O-OG1 3.31Å; L157-F161 HydrophobicContact CD1-CE2 4.37Å; L157-F161 HydrophobicContact CG-CE2 4.08Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å
158R97.9Very high97.6Very high96 Ų9662.4 Ų62.436%0.36233%0.334SS..Hα-helixtrans-57.1-43.2-177.8-162.1-168-43.7-85.56111.7M150 E151 A153 D154 D155 T160 F161M150-R158 PolarHBondContact O-NH1 3.3Å; E151-R158 PolarHBondContact O-NH1 2.91Å; A153-R158 HydrophobicContact CB-CB 3.95Å; A153-R158 PolarHBondContact O-NH1 2.83Å; A153-R158 PolarHBondContact O-NH2 2.74Å; D154-R158 VanDerWaalsContact O-CB 3.28Å; D154-R158 WeakPolarHBondContact O-CB 3.32Å; D154-R158 PolarHBondContact O-N 2.96Å; D155-R158 PolarHBondContact O-N 2.85Å; D155-R158 IonicContact OD1-NE 2.87Å; D155-R158 IonicContact OD1-NH2 2.89Å; R158-T160 PolarHBondContact O-N 2.83Å; R158-T160 VanDerWaalsContact O-N 3.07Å; R158-F161 PolarHBondContact O-N 3.39Å; R158-F161 VanDerWaalsContact O-N 3.14Å
159D97.1Very high97.6Very high137 Ų13761 Ų6173%0.73333%0.327SS*.THydrogen-bonded Turntrans-65-12.2179.2-72.2-11.9000113.8D155 L157D155-D159 WeakPolarHBondContact O-CB 3.11Å; D155-D159 PolarHBondContact O-N 2.95Å; L157-D159 VanDerWaalsContact C-N 3.31Å; L157-D159 PolarHBondContact O-N 3.48Å
160T97.2Very high97.6Very high20 Ų2061 Ų6112%0.12333%0.327CS..THydrogen-bonded Turntrans-92.4-2.8178.1750000114.2T156 L157 R158 F171 V172 S173 L174T156-T160 WeakPolarHBondContact O-CG2 3.18Å; L157-T160 WeakPolarHBondContact O-CB 3.42Å; L157-T160 PolarHBondContact O-N 2.81Å; L157-T160 PolarHBondContact O-OG1 3.31Å; R158-T160 PolarHBondContact O-N 2.83Å; R158-T160 VanDerWaalsContact O-N 3.07Å; T160-F171 WeakPolarHBondContact O-CA 3.16Å; T160-V172 PolarHBondContact O-N 2.77Å; T160-V172 VanDerWaalsContact O-N 3.07Å; T160-S173 PolarHBondContact OG1-N 3.21Å; T160-S173 VanDerWaalsContact OG1-N 3.08Å; T160-L174 HydrophobicContact CG2-CG 4.49Å
161F98.4Very high97.6Very high29 Ų2958.7 Ų58.713%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-79.1145.1176.9-78.5-98.1000111.9L149 M150 L157 R158 L169 C170 F171L149-F161 HydrophobicContact CB-CZ 3.95Å; M150-F161 HydrophobicContact CB-CD1 4.06Å; M150-F161 HydrophobicContact CB-CD2 4.43Å; M150-F161 HydrophobicContact CB-CE1 3.85Å; M150-F161 HydrophobicContact CB-CE2 4.22Å; M150-F161 HydrophobicContact CB-CG 4.35Å; M150-F161 HydrophobicContact CB-CZ 3.93Å; M150-F161 HydrophobicContact CG-CB 4.45Å; M150-F161 HydrophobicContact CG-CD1 4.12Å; M150-F161 HydrophobicContact CG-CD2 4.19Å; M150-F161 HydrophobicContact CG-CE1 4.39Å; M150-F161 HydrophobicContact CG-CE2 4.44Å; M150-F161 HydrophobicContact CG-CG 4.01Å; M150-F161 HydrophobicContact SD-CB 4.34Å; M150-F161 HydrophobicContact SD-CD1 4.29Å; M150-F161 HydrophobicContact SD-CG 4.35Å; L157-F161 HydrophobicContact CD1-CE2 4.37Å; L157-F161 HydrophobicContact CG-CE2 4.08Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å; R158-F161 PolarHBondContact O-N 3.39Å; R158-F161 VanDerWaalsContact O-N 3.14Å; F161-L169 HydrophobicContact CD1-CD1 3.92Å; F161-L169 HydrophobicContact CD1-CD2 4.37Å; F161-L169 HydrophobicContact CD1-CG 4.09Å; F161-C170 CarbonylContact C-O 3.6Å; F161-C170 WeakPolarHBondContact CA-O 3.45Å; F161-C170 WeakPolarHBondContact CD1-O 3.39Å; F161-F171 HydrophobicContact CD1-CB 3.83Å; F161-F171 HydrophobicContact CD2-CB 4.07Å; F161-F171 HydrophobicContact CE1-CB 3.84Å; F161-F171 HydrophobicContact CE1-CD1 4.04Å; F161-F171 HydrophobicContact CE1-CG 4.28Å; F161-F171 HydrophobicContact CE2-CB 4.09Å; F161-F171 HydrophobicContact CG-CB 3.96Å; F161-F171 HydrophobicContact CZ-CB 3.97Å; F161-F171 HydrophobicContact CZ-CD1 4.23Å; F161-F171 HydrophobicContact CZ-CG 4.25Å
162F98Very high97.5Very high62 Ų6253.8 Ų53.827%0.27229%0.294SS..EExtended strand (participates in β ladder)trans-159.1164175.968.3-78.4000111C170 V172 T181 A184F162-C170 HydrophobicContact CD1-CB 4.01Å; F162-C170 HydrophobicContact CD2-CB 4.35Å; F162-C170 HydrophobicContact CE1-CB 3.56Å; F162-C170 HydrophobicContact CE2-CB 3.94Å; F162-C170 HydrophobicContact CG-CB 4.38Å; F162-C170 HydrophobicContact CZ-CB 3.53Å; F162-C170 PolarHBondContact N-O 2.95Å; F162-C170 PolarHBondContact O-N 3.49Å; F162-V172 HydrophobicContact CD1-CG2 4.27Å; F162-V172 HydrophobicContact CE1-CG2 3.7Å; F162-T181 HydrophobicContact CE2-CG2 4.31Å; F162-T181 HydrophobicContact CZ-CG2 4.07Å; F162-A184 HydrophobicContact CE1-CB 3.66Å; F162-A184 HydrophobicContact CZ-CB 3.56Å
163Y98Very high97.4Very high159 Ų15952.9 Ų52.962%0.62429%0.288SS*.EExtended strand (participates in β ladder)trans-93.8130.9170.8-69.6-83.5000110.6N168 L169Y163-N168 WeakPolarHBondContact CA-O 3.4Å; Y163-L169 HydrophobicContact CE1-CB 4.31Å; Y163-L169 HydrophobicContact CE1-CD1 4.21Å
164S97.5Very high97.1Very high18 Ų1857.5 Ų57.513%0.12631%0.312CS..  trans-65.9163169.665.50000111.6V166 G167 N168S164-V166 PolarHBondContact O-N 2.77Å; S164-V166 WeakPolarHBondContact OG-CG2 3.45Å; S164-G167 PolarHBondContact O-N 3.24Å; S164-N168 PolarHBondContact N-O 2.96Å; S164-N168 WeakPolarHBondContact OG-CB 3.34Å; S164-N168 PolarHBondContact OG-N 2.61Å; S164-N168 VanDerWaalsContact OG-N 3.08Å; S164-N168 PolarHBondContact OG-O 3.43Å
165P97.5Very high96.9Very high144 Ų14457.5 Ų57.594%0.93532%0.315SS*.THydrogen-bonded Turntrans-56.9-17177.4-27.636.1000115.7
166V96.9Very high96.6Very high117 Ų11760.4 Ų60.471%0.70932%0.322SS*.THydrogen-bonded Turntrans-104.712.7178-61.90000113S164 N168S164-V166 PolarHBondContact O-N 2.77Å; S164-V166 WeakPolarHBondContact OG-CG2 3.45Å; V166-N168 WeakPolarHBondContact CG2-ND2 3.49Å; V166-N168 PolarHBondContact O-N 2.63Å
167G97.2Very high96.3Very high42 Ų4262.4 Ų62.443%0.43332%0.324SS..SBendtrans83.24.3174.200000116.1S164S164-G167 PolarHBondContact O-N 3.24Å
168N98Very high95.9Very high40 Ų4065 Ų6521%0.21433%0.334CS..  trans-74.1140173-56.9-39.5000110.9Y163 S164 V166 G187 P189Y163-N168 WeakPolarHBondContact CA-O 3.4Å; S164-N168 PolarHBondContact N-O 2.96Å; S164-N168 WeakPolarHBondContact OG-CB 3.34Å; S164-N168 PolarHBondContact OG-N 2.61Å; S164-N168 VanDerWaalsContact OG-N 3.08Å; S164-N168 PolarHBondContact OG-O 3.43Å; V166-N168 WeakPolarHBondContact CG2-ND2 3.49Å; V166-N168 PolarHBondContact O-N 2.63Å; N168-G187 WeakPolarHBondContact CB-O 3.35Å; N168-P189 WeakPolarHBondContact CA-O 3.48Å; N168-P189 WeakPolarHBondContact OD1-CA 3.3Å
169L98.3Very high95.7Very high4 Ų461.8 Ų61.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-75131.7172.3-176.658.5000109.7L145 M150 F161 Y163 C186 G187 P189L145-L169 HydrophobicContact CB-CD2 3.65Å; L145-L169 HydrophobicContact CB-CG 4.14Å; L145-L169 HydrophobicContact CD1-CB 4.31Å; L145-L169 HydrophobicContact CD1-CG 4.39Å; L145-L169 WeakPolarHBondContact CD1-O 3.33Å; M150-L169 HydrophobicContact SD-CD1 4.22Å; M150-L169 HydrophobicContact SD-CD2 4.3Å; F161-L169 HydrophobicContact CD1-CD1 3.92Å; F161-L169 HydrophobicContact CD1-CD2 4.37Å; F161-L169 HydrophobicContact CD1-CG 4.09Å; Y163-L169 HydrophobicContact CE1-CB 4.31Å; Y163-L169 HydrophobicContact CE1-CD1 4.21Å; L169-C186 WeakPolarHBondContact O-CA 3.33Å; L169-G187 PolarHBondContact O-N 2.99Å; L169-P189 PolarHBondContact N-O 3.45Å
170C98.3Very high95.6Very high0 Ų060.3 Ų60.30%032%0.316CS..EExtended strand (participates in β ladder)trans-132.1158.3-177.7-55.80000111.2F161 F162 A184 I185 C186F161-C170 CarbonylContact C-O 3.6Å; F161-C170 WeakPolarHBondContact CA-O 3.45Å; F161-C170 WeakPolarHBondContact CD1-O 3.39Å; F162-C170 HydrophobicContact CD1-CB 4.01Å; F162-C170 HydrophobicContact CD2-CB 4.35Å; F162-C170 HydrophobicContact CE1-CB 3.56Å; F162-C170 HydrophobicContact CE2-CB 3.94Å; F162-C170 HydrophobicContact CG-CB 4.38Å; F162-C170 HydrophobicContact CZ-CB 3.53Å; F162-C170 PolarHBondContact N-O 2.95Å; F162-C170 PolarHBondContact O-N 3.49Å; C170-A184 HydrophobicContact CB-CB 4.45Å; C170-I185 CarbonylContact C-O 3.56Å; C170-I185 WeakPolarHBondContact CA-O 3.29Å; C170-C186 HydrophobicContact CB-CB 4.06Å; C170-C186 WeakPolarHBondContact CB-SG 3.49Å; C170-C186 WeakPolarHBondContact SG-CB 3.44Å; C170-C186 CovalentContact SG-SG 2.04Å; C170-C186 PolarHBondContact SG-SG 3.2Å
171F98Very high95.4Very high0 Ų064.2 Ų64.20%034%0.34CS..EExtended strand (participates in β ladder)trans-139147.4166.668.2-89.2000111.7V79 L81 P95 L145 L149 T160 F161 I185V79-F171 HydrophobicContact CG2-CE2 3.99Å; L81-F171 HydrophobicContact CD1-CE2 4.27Å; L81-F171 HydrophobicContact CD1-CZ 4.24Å; P95-F171 HydrophobicContact CB-CZ 4.3Å; P95-F171 HydrophobicContact CG-CZ 4.18Å; L145-F171 HydrophobicContact CD2-CD1 4.16Å; L145-F171 HydrophobicContact CD2-CE1 3.86Å; L149-F171 HydrophobicContact CD1-CE1 4.28Å; T160-F171 WeakPolarHBondContact O-CA 3.16Å; F161-F171 HydrophobicContact CD1-CB 3.83Å; F161-F171 HydrophobicContact CD2-CB 4.07Å; F161-F171 HydrophobicContact CE1-CB 3.84Å; F161-F171 HydrophobicContact CE1-CD1 4.04Å; F161-F171 HydrophobicContact CE1-CG 4.28Å; F161-F171 HydrophobicContact CE2-CB 4.09Å; F161-F171 HydrophobicContact CG-CB 3.96Å; F161-F171 HydrophobicContact CZ-CB 3.97Å; F161-F171 HydrophobicContact CZ-CD1 4.23Å; F161-F171 HydrophobicContact CZ-CG 4.25Å; F171-I185 HydrophobicContact CD1-CB 4.18Å; F171-I185 HydrophobicContact CD1-CG2 4.34Å; F171-I185 HydrophobicContact CD2-CB 4.48Å; F171-I185 HydrophobicContact CE1-CB 3.73Å; F171-I185 HydrophobicContact CE1-CG2 3.54Å; F171-I185 HydrophobicContact CE2-CB 4.06Å; F171-I185 HydrophobicContact CE2-CG1 4.15Å; F171-I185 HydrophobicContact CZ-CB 3.67Å; F171-I185 HydrophobicContact CZ-CG1 4.04Å; F171-I185 HydrophobicContact CZ-CG2 3.67Å; F171-I185 PolarHBondContact N-O 2.99Å; F171-I185 PolarHBondContact O-N 3.44Å
172V96Very high95.2Very high24 Ų2466.3 Ų66.315%0.14537%0.37CS..  trans-92.1-37.8176.5-175.30000111.8T160 F162 C179 A184T160-V172 PolarHBondContact O-N 2.77Å; T160-V172 VanDerWaalsContact O-N 3.07Å; F162-V172 HydrophobicContact CD1-CG2 4.27Å; F162-V172 HydrophobicContact CE1-CG2 3.7Å; V172-C179 HydrophobicContact CG1-CB 4.23Å; V172-C179 PolarHBondContact O-SG 3.25Å; V172-A184 HydrophobicContact CG2-CB 4.2Å
173S94.6Very high95Very high2 Ų267 Ų671%0.01438%0.375CS..  trans58.2-167.4-165.4-162.30000112.5T160T160-S173 PolarHBondContact OG1-N 3.21Å; T160-S173 VanDerWaalsContact OG1-N 3.08Å
174L93Very high95Very high102 Ų10260.4 Ų60.453%0.53435%0.353SS..  trans-132.4117.6178.8-60.8176.5000109.5I72 T156 T160I72-L174 HydrophobicContact CD1-CB 3.71Å; I72-L174 HydrophobicContact CD1-CD1 3.91Å; I72-L174 HydrophobicContact CD1-CG 3.68Å; I72-L174 HydrophobicContact CG2-CB 4.48Å; I72-L174 WeakPolarHBondContact CG2-O 3.31Å; T156-L174 HydrophobicContact CG2-CD1 3.4Å; T156-L174 VanDerWaalsContact CG2-CD1 3.4Å; T160-L174 HydrophobicContact CG2-CG 4.49Å
175C92.8Very high95Very high43 Ų4359.9 Ų59.929%0.29135%0.349SS..  trans-158.6169.5178.270.20000111.2T77 V79 Y177 C179T77-C175 WeakPolarHBondContact O-CB 3.36Å; V79-C175 PolarHBondContact N-SG 3.09Å; C175-Y177 PolarHBondContact SG-O 2.72Å; C175-C179 HydrophobicContact CB-CB 4.07Å; C175-C179 WeakPolarHBondContact CB-SG 3.3Å; C175-C179 PolarHBondContact N-SG 3.02Å; C175-C179 WeakPolarHBondContact SG-CB 3.49Å; C175-C179 CovalentContact SG-SG 2.02Å; C175-C179 PolarHBondContact SG-SG 3.12Å
176K90.6Very high95Very high170 Ų17055 Ų5574%0.73932%0.317SS*.SBendtrans-73.7-33.1-175.7-65.5-174.4178-178.40113.2T77T77-K176 HydrophobicContact CG2-CD 4.37Å; T77-K176 PolarHBondContact O-N 2.77Å; T77-K176 VanDerWaalsContact O-N 3.08Å
177Y89Confident95Very high101 Ų10149.4 Ų49.440%0.39628%0.284SS..SBendtrans-122.5125.1-175.5-63.1-28.3000110.7T77 C175 C179T77-Y177 HydrophobicContact CG2-CD2 4.05Å; T77-Y177 HydrophobicContact CG2-CE2 3.73Å; T77-Y177 PolarHBondContact O-N 3.15Å; T77-Y177 WeakPolarHBondContact OG1-CD2 3.43Å; C175-Y177 PolarHBondContact SG-O 2.72Å; Y177-C179 PolarHBondContact O-N 3.07Å; Y177-C179 VanDerWaalsContact O-N 3.17Å
178Y90.5Very high94.9Very high54 Ų5456.1 Ų56.121%0.21230%0.301CS..SBendtrans64.913.7168.5-41.7-60.9000116.7S112 F114 M180 M183S112-Y178 PolarHBondContact O-OH 3.46Å; F114-Y178 AromaticContact CD1-CD2 3.41Å; F114-Y178 HydrophobicContact CD1-CD2 3.41Å; F114-Y178 VanDerWaalsContact CD1-CD2 3.41Å; F114-Y178 AromaticContact CD1-CE2 3.74Å; F114-Y178 HydrophobicContact CD1-CE2 3.74Å; F114-Y178 AromaticContact CD1-CG 3.92Å; F114-Y178 HydrophobicContact CD1-CG 3.92Å; F114-Y178 AromaticContact CE1-CD1 3.64Å; F114-Y178 HydrophobicContact CE1-CD1 3.64Å; F114-Y178 AromaticContact CE1-CD2 3.15Å; F114-Y178 HydrophobicContact CE1-CD2 3.15Å; F114-Y178 HydrophobicContact CE1-CE1 4.09Å; F114-Y178 AromaticContact CE1-CE2 3.63Å; F114-Y178 HydrophobicContact CE1-CE2 3.63Å; F114-Y178 AromaticContact CE1-CG 3.14Å; F114-Y178 HydrophobicContact CE1-CG 3.14Å; F114-Y178 HydrophobicContact CE2-CE1 4.44Å; F114-Y178 HydrophobicContact CE2-CE2 4.43Å; F114-Y178 HydrophobicContact CG-CD2 4.35Å; F114-Y178 HydrophobicContact CG-CE2 4.24Å; F114-Y178 AromaticContact CZ-CD1 3.63Å; F114-Y178 HydrophobicContact CZ-CD1 3.63Å; F114-Y178 AromaticContact CZ-CD2 3.86Å; F114-Y178 HydrophobicContact CZ-CD2 3.86Å; F114-Y178 AromaticContact CZ-CE1 3.79Å; F114-Y178 HydrophobicContact CZ-CE1 3.79Å; F114-Y178 AromaticContact CZ-CE2 3.98Å; F114-Y178 HydrophobicContact CZ-CE2 3.98Å; F114-Y178 AromaticContact CZ-CG 3.67Å; F114-Y178 HydrophobicContact CZ-CG 3.67Å; F114-Y178 AromaticContact CZ-CZ 3.94Å; Y178-M180 VanDerWaalsContact C-N 3.31Å; Y178-M180 PolarHBondContact O-N 2.93Å; Y178-M183 WeakPolarHBondContact O-CB 3.4Å
179C93.2Very high94.8Very high29 Ų2957.8 Ų57.820%0.19631%0.314CS..  trans-84.876.5164.6-720000109.6V172 C175 Y177V172-C179 HydrophobicContact CG1-CB 4.23Å; V172-C179 PolarHBondContact O-SG 3.25Å; C175-C179 HydrophobicContact CB-CB 4.07Å; C175-C179 WeakPolarHBondContact CB-SG 3.3Å; C175-C179 PolarHBondContact N-SG 3.02Å; C175-C179 WeakPolarHBondContact SG-CB 3.49Å; C175-C179 CovalentContact SG-SG 2.02Å; C175-C179 PolarHBondContact SG-SG 3.12Å; Y177-C179 PolarHBondContact O-N 3.07Å; Y177-C179 VanDerWaalsContact O-N 3.17Å
180M94.5Very high94.8Very high107 Ų10759.7 Ų59.753%0.52732%0.324SS..SBendtrans-142.6158175.462.1-175.569.100109.8Y178 G182 M183 A184Y178-M180 VanDerWaalsContact C-N 3.31Å; Y178-M180 PolarHBondContact O-N 2.93Å; M180-G182 VanDerWaalsContact C-N 3.27Å; M180-G182 PolarHBondContact O-N 3.36Å; M180-G182 VanDerWaalsContact O-N 3.16Å; M180-M183 HydrophobicContact CG-CB 3.99Å; M180-M183 HydrophobicContact CG-CG 3.97Å; M180-M183 CarbonylContact O-C 3.49Å; M180-M183 WeakPolarHBondContact O-CA 3.41Å; M180-M183 PolarHBondContact O-N 3.3Å; M180-M183 HydrophobicContact SD-CG 4.39Å; M180-A184 PolarHBondContact O-N 2.79Å; M180-A184 VanDerWaalsContact O-N 3.15Å
181T93.4Very high94.7Very high102 Ų10263.3 Ų63.363%0.62634%0.341SS*.G310 helixtrans-53-41-174.5-49.50000113.5F162 M183 A184F162-T181 HydrophobicContact CE2-CG2 4.31Å; F162-T181 HydrophobicContact CZ-CG2 4.07Å; T181-M183 PolarHBondContact O-N 2.75Å; T181-M183 VanDerWaalsContact O-N 3.13Å; T181-A184 WeakPolarHBondContact O-CB 3.47Å; T181-A184 PolarHBondContact O-N 3.4Å
182G93.9Very high94.8Very high73 Ų7364.6 Ų64.675%0.75335%0.347SS*.G310 helixtrans-67.6-8.6177.300000115.2M180M180-G182 VanDerWaalsContact C-N 3.27Å; M180-G182 PolarHBondContact O-N 3.36Å; M180-G182 VanDerWaalsContact O-N 3.16Å
183M94.6Very high94.9Very high77 Ų7765.2 Ų65.238%0.37935%0.348SS..G310 helixtrans-12818.3-179-64.6-67.1164.600111.8R97 F114 Y178 M180 T181R97-M183 PolarHBondContact NH1-O 3.2Å; F114-M183 HydrophobicContact CE1-SD 4.43Å; F114-M183 HydrophobicContact CZ-SD 3.96Å; Y178-M183 WeakPolarHBondContact O-CB 3.4Å; M180-M183 HydrophobicContact CG-CB 3.99Å; M180-M183 HydrophobicContact CG-CG 3.97Å; M180-M183 CarbonylContact O-C 3.49Å; M180-M183 WeakPolarHBondContact O-CA 3.41Å; M180-M183 PolarHBondContact O-N 3.3Å; M180-M183 HydrophobicContact SD-CG 4.39Å; T181-M183 PolarHBondContact O-N 2.75Å; T181-M183 VanDerWaalsContact O-N 3.13Å
184A96.6Very high95Very high20 Ų2065.1 Ų65.117%0.16535%0.347CS..  trans-60.4155.3-179.600000112.3F162 C170 V172 M180 T181F162-A184 HydrophobicContact CE1-CB 3.66Å; F162-A184 HydrophobicContact CZ-CB 3.56Å; C170-A184 HydrophobicContact CB-CB 4.45Å; V172-A184 HydrophobicContact CG2-CB 4.2Å; M180-A184 PolarHBondContact O-N 2.79Å; M180-A184 VanDerWaalsContact O-N 3.15Å; T181-A184 WeakPolarHBondContact O-CB 3.47Å; T181-A184 PolarHBondContact O-N 3.4Å
185I97.4Very high95.3Very high6 Ų660.3 Ų60.33%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-91.7115.1174.8-58-60.5000108V79 P95 C170 F171 K192V79-I185 HydrophobicContact CG1-CD1 4.36Å; V79-I185 HydrophobicContact CG1-CG1 4.33Å; P95-I185 HydrophobicContact CB-CB 4.49Å; P95-I185 HydrophobicContact CB-CD1 4.24Å; P95-I185 HydrophobicContact CB-CG1 4.15Å; P95-I185 HydrophobicContact CB-CG2 3.64Å; P95-I185 HydrophobicContact CG-CB 4.49Å; P95-I185 HydrophobicContact CG-CD1 3.88Å; P95-I185 HydrophobicContact CG-CG1 3.7Å; P95-I185 HydrophobicContact CG-CG2 4.16Å; C170-I185 CarbonylContact C-O 3.56Å; C170-I185 WeakPolarHBondContact CA-O 3.29Å; F171-I185 HydrophobicContact CD1-CB 4.18Å; F171-I185 HydrophobicContact CD1-CG2 4.34Å; F171-I185 HydrophobicContact CD2-CB 4.48Å; F171-I185 HydrophobicContact CE1-CB 3.73Å; F171-I185 HydrophobicContact CE1-CG2 3.54Å; F171-I185 HydrophobicContact CE2-CB 4.06Å; F171-I185 HydrophobicContact CE2-CG1 4.15Å; F171-I185 HydrophobicContact CZ-CB 3.67Å; F171-I185 HydrophobicContact CZ-CG1 4.04Å; F171-I185 HydrophobicContact CZ-CG2 3.67Å; F171-I185 PolarHBondContact N-O 2.99Å; F171-I185 PolarHBondContact O-N 3.44Å; I185-K192 HydrophobicContact CG2-CD 3.85Å; I185-K192 HydrophobicContact CG2-CG 3.9Å
186C97.4Very high95.6Very high41 Ų4158.3 Ų58.328%0.27731%0.309SS..EExtended strand (participates in β ladder)trans-116.5137.5-177.5-64.40000112.4L169 C170 K192L169-C186 WeakPolarHBondContact O-CA 3.33Å; C170-C186 HydrophobicContact CB-CB 4.06Å; C170-C186 WeakPolarHBondContact CB-SG 3.49Å; C170-C186 WeakPolarHBondContact SG-CB 3.44Å; C170-C186 CovalentContact SG-SG 2.04Å; C170-C186 PolarHBondContact SG-SG 3.2Å; C186-K192 WeakPolarHBondContact O-CE 3.29Å; C186-K192 PolarHBondContact O-NZ 3.12Å
187G97.2Very high95.9Very high1 Ų151.6 Ų51.61%0.0128%0.28CS..  trans-75.3-174.2171.800000113.3N168 L169 P189 Q191N168-G187 WeakPolarHBondContact CB-O 3.35Å; L169-G187 PolarHBondContact O-N 2.99Å; G187-P189 CarbonylContact C-O 3.51Å; G187-Q191 WeakPolarHBondContact CA-O 3.44Å
188K96Very high96.2Very high183 Ų18347 Ų4780%0.79626%0.262SS*.SBendtrans-143.884171.9-68.4-173.2179.3-178.10111.8Q191K188-Q191 PolarHBondContact N-O 2.88Å
189P95.5Very high96.3Very high74 Ų7447.5 Ų47.548%0.48127%0.266SS..SBendcis-77.3-31.9-12.131.4-32.8000112.8N168 L169 G187N168-P189 WeakPolarHBondContact CA-O 3.48Å; N168-P189 WeakPolarHBondContact OD1-CA 3.3Å; L169-P189 PolarHBondContact N-O 3.45Å; G187-P189 CarbonylContact C-O 3.51Å
190D97.2Very high96.1Very high44 Ų4446.5 Ų46.524%0.23526%0.258CS..SBendtrans-126.40.3-173.168.5-22000113.2N144 L145N144-D190 PolarHBondContact ND2-OD2 3.15Å; N144-D190 PolarHBondContact OD1-OD2 3.37Å; L145-D190 WeakPolarHBondContact CB-O 3.31Å; L145-D190 WeakPolarHBondContact CG-O 3.08Å; L145-D190 PolarHBondContact N-O 3.31Å
191Q98.1Very high95.3Very high77 Ų7743.3 Ų43.336%0.3625%0.247SC..EExtended strand (participates in β ladder)trans-92.2135.5177-64.4-62.5-45.200111.9V142 L143 N144 G187 K188V142-Q191 HydrophobicContact CG1-CB 4.17Å; L143-Q191 WeakPolarHBondContact O-CA 3.45Å; L143-Q191 PolarHBondContact O-OE1 2.98Å; N144-Q191 PolarHBondContact ND2-NE2 3.27Å; N144-Q191 VanDerWaalsContact ND2-NE2 3.2Å; G187-Q191 WeakPolarHBondContact CA-O 3.44Å; K188-Q191 PolarHBondContact N-O 2.88Å
192K98.2Very high94.1Very high27 Ų2745.1 Ų45.112%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-139.1116176.5-178.851.954.5177.30112.2P95 M96 L143 L145 I185 C186P95-K192 HydrophobicContact CB-CG 4.31Å; M96-K192 HydrophobicContact CB-CD 4.23Å; M96-K192 PolarHBondContact O-NZ 3.16Å; L143-K192 PolarHBondContact N-O 3.02Å; L143-K192 PolarHBondContact O-N 3.05Å; L145-K192 HydrophobicContact CD1-CB 4.29Å; L145-K192 HydrophobicContact CD2-CB 3.51Å; L145-K192 HydrophobicContact CD2-CG 4.2Å; L145-K192 HydrophobicContact CG-CB 3.9Å; I185-K192 HydrophobicContact CG2-CD 3.85Å; I185-K192 HydrophobicContact CG2-CG 3.9Å; C186-K192 WeakPolarHBondContact O-CE 3.29Å; C186-K192 PolarHBondContact O-NZ 3.12Å
193E98.4Very high92.8Very high36 Ų3645.4 Ų45.417%0.16824%0.236CC..EExtended strand (participates in β ladder)trans-66.9147.1166.9-162.2-171.198.900111.6M96 R100 H117 V142 V346M96-E193 HydrophobicContact CB-CB 4.12Å; M96-E193 WeakPolarHBondContact CB-O 3.13Å; M96-E193 PolarHBondContact N-O 2.96Å; M96-E193 HydrophobicContact SD-CB 3.99Å; R100-E193 IonicContact CZ-OE1 2.83Å; R100-E193 IonicContact CZ-OE2 3.64Å; R100-E193 IonicContact NH1-OE1 3.25Å; R100-E193 PolarHBondContact NH1-OE1 3.37Å; R100-E193 IonicContact NH1-OE2 3.3Å; R100-E193 IonicContact NH2-OE1 3.86Å; R100-E193 PolarHBondContact NH2-OE1 2.84Å; R100-E193 IonicContact NH2-OE2 2.76Å; R100-E193 PolarHBondContact NH2-OE2 2.69Å; H117-E193 IonicContact CD2-OE1 2.69Å; H117-E193 IonicContact CE1-OE1 3.25Å; H117-E193 PolarHBondContact CE1-OE1 3.34Å; H117-E193 IonicContact NE2-OE1 2.83Å; H117-E193 PolarHBondContact NE2-OE1 3.47Å; V142-E193 HydrophobicContact CG2-CB 4.27Å; V142-E193 HydrophobicContact CG2-CG 4.16Å; E193-V346 HydrophobicContact CG-CB 4.02Å; E193-V346 HydrophobicContact CG-CG1 3.7Å; E193-V346 HydrophobicContact CG-CG2 4.4Å
194G98.4Very high91.5Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-162.1174.1167.200000112.1F93 K94 H117 R141F93-G194 VanDerWaalsContact CE2-CA 3.43Å; K94-G194 CarbonylContact O-C 3.58Å; K94-G194 WeakPolarHBondContact O-CA 3.38Å; H117-G194 VanDerWaalsContact CD2-C 3.48Å; R141-G194 PolarHBondContact N-O 3.21Å; R141-G194 PolarHBondContact O-N 3.32Å
195S98.5Very high90Very high2 Ų242.2 Ų42.21%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-91135.4171.663.20000109F93 K94 H117F93-S195 CarbonylContact C-O 3.48Å; F93-S195 VanDerWaalsContact CA-O 3.31Å; F93-S195 WeakPolarHBondContact CA-O 3.25Å; K94-S195 WeakPolarHBondContact CB-OG 3.39Å; K94-S195 PolarHBondContact N-O 3.26Å; K94-S195 PolarHBondContact O-N 2.92Å; H117-S195 VanDerWaalsContact O-CB 3.25Å; H117-S195 WeakPolarHBondContact O-CB 3.25Å
196L98.3Very high88.3Confident0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-119109.7177-17660.3000108.8L62 L83 F85 V92 F93 T138 I139 R141L62-L196 HydrophobicContact CD1-CD1 4.5Å; L62-L196 HydrophobicContact CD1-CD2 3.83Å; L62-L196 HydrophobicContact CD1-CG 3.77Å; L62-L196 HydrophobicContact CD2-CG 4.36Å; L62-L196 WeakPolarHBondContact CD2-O 3.49Å; L62-L196 HydrophobicContact CG-CD2 3.81Å; L62-L196 HydrophobicContact CG-CG 3.86Å; L62-L196 WeakPolarHBondContact O-CD2 3.4Å; L83-L196 HydrophobicContact CD1-CD1 3.94Å; F85-L196 HydrophobicContact CE1-CD2 4.39Å; F85-L196 HydrophobicContact CZ-CD1 4.15Å; F85-L196 HydrophobicContact CZ-CD2 3.7Å; F85-L196 HydrophobicContact CZ-CG 4.43Å; V92-L196 WeakPolarHBondContact O-CA 3.42Å; F93-L196 HydrophobicContact CB-CD1 4.19Å; T138-L196 WeakPolarHBondContact CA-O 3.28Å; I139-L196 HydrophobicContact CG2-CB 4.19Å; I139-L196 PolarHBondContact N-O 2.98Å; I139-L196 PolarHBondContact O-N 2.91Å; R141-L196 HydrophobicContact CB-CB 4.5Å
197Q97.9Very high87.1Confident30 Ų3047.7 Ų47.714%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-101.9137.9-179.8-179.317197.600110.3G91 V92 I136 P137 T138 F199G91-Q197 CarbonylContact C-O 3.47Å; G91-Q197 VanDerWaalsContact CA-O 3.24Å; G91-Q197 WeakPolarHBondContact CA-O 3.49Å; V92-Q197 HydrophobicContact CB-CB 4.49Å; V92-Q197 PolarHBondContact N-O 2.92Å; V92-Q197 PolarHBondContact O-N 3.28Å; I136-Q197 HydrophobicContact CB-CG 3.91Å; I136-Q197 HydrophobicContact CG2-CG 3.47Å; I136-Q197 VanDerWaalsContact CG2-CG 3.47Å; P137-Q197 WeakPolarHBondContact O-CA 3.37Å; T138-Q197 HydrophobicContact CG2-CB 4.09Å; T138-Q197 WeakPolarHBondContact OG1-CG 3.34Å; T138-Q197 PolarHBondContact OG1-NE2 3.08Å; Q197-F199 PolarHBondContact O-N 3.31Å
198M95.8Very high86.5Confident3 Ų352 Ų522%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-58.9131174.4-69.4-165.2150.400111.3W36 F39 A58 L62 I136 P137 I200W36-M198 HydrophobicContact CB-CE 4.19Å; W36-M198 HydrophobicContact CD2-CE 3.62Å; W36-M198 HydrophobicContact CE3-CE 4.28Å; W36-M198 HydrophobicContact CG-CE 3.55Å; W36-M198 HydrophobicContact CG-SD 4.44Å; W36-M198 HydrophobicContact CZ2-CB 4.21Å; W36-M198 HydrophobicContact CZ2-CE 4.36Å; W36-M198 HydrophobicContact CZ2-CG 4.03Å; F39-M198 HydrophobicContact CD1-SD 3.86Å; F39-M198 HydrophobicContact CE1-SD 3.93Å; A58-M198 HydrophobicContact CB-CE 3.72Å; A58-M198 VanDerWaalsContact O-CE 3.3Å; A58-M198 WeakPolarHBondContact O-CE 3.45Å; L62-M198 HydrophobicContact CB-CE 4.21Å; L62-M198 HydrophobicContact CD1-CG 4.29Å; L62-M198 HydrophobicContact CD2-CE 4.44Å; L62-M198 HydrophobicContact CD2-CG 3.63Å; L62-M198 HydrophobicContact CG-CG 4.49Å; I136-M198 HydrophobicContact CG2-CB 4.14Å; I136-M198 WeakPolarHBondContact CG2-O 3.26Å; P137-M198 HydrophobicContact CB-CG 4.13Å; P137-M198 HydrophobicContact CB-SD 4.04Å; P137-M198 HydrophobicContact CG-SD 4.07Å; P137-M198 PolarHBondContact O-N 2.84Å; M198-I200 HydrophobicContact CB-CD1 4.48Å
199F92.6Very high86.3Confident66 Ų6649.3 Ų49.329%0.28925%0.249SC..PPolyproline II helixtrans-91.7119.2171.9-169.7-98.8000109.9L82 H90 V92 Q197L82-F199 HydrophobicContact CD1-CB 4.43Å; L82-F199 HydrophobicContact CD1-CD1 4.46Å; L82-F199 HydrophobicContact CD1-CD2 4.07Å; L82-F199 HydrophobicContact CD1-CE2 4.42Å; L82-F199 HydrophobicContact CD1-CG 4.08Å; H90-F199 HydrophobicContact CB-CB 3.84Å; H90-F199 HydrophobicContact CB-CD1 4.08Å; H90-F199 HydrophobicContact CB-CG 4.21Å; H90-F199 WeakPolarHBondContact O-CB 3.45Å; H90-F199 PolarHBondContact O-N 2.58Å; V92-F199 HydrophobicContact CG2-CB 4.3Å; V92-F199 HydrophobicContact CG2-CD2 3.61Å; V92-F199 HydrophobicContact CG2-CE2 4.46Å; V92-F199 HydrophobicContact CG2-CG 4.42Å; Q197-F199 PolarHBondContact O-N 3.31Å
200I88.6Confident86.1Confident8 Ų848 Ų484%0.04124%0.239CC..  trans-93.4106.9176.1-51.1-57.2000108.2F21 V40 I43 I136 M198 H204 T205 F276F21-I200 HydrophobicContact CE2-CG2 4.02Å; V40-I200 HydrophobicContact CG2-CD1 3.97Å; I43-I200 HydrophobicContact CD1-CD1 3.75Å; I43-I200 HydrophobicContact CD1-CG1 4.24Å; I43-I200 HydrophobicContact CD1-CG2 4.47Å; I136-I200 HydrophobicContact CD1-CG1 4.13Å; M198-I200 HydrophobicContact CB-CD1 4.48Å; I200-H204 HydrophobicContact CG2-CB 4.1Å; I200-T205 WeakPolarHBondContact O-CG2 3.29Å; I200-T205 PolarHBondContact O-OG1 2.66Å; I200-F276 HydrophobicContact CB-CE1 3.92Å; I200-F276 HydrophobicContact CB-CZ 4.22Å; I200-F276 HydrophobicContact CG1-CE1 4.24Å; I200-F276 HydrophobicContact CG1-CZ 4.01Å; I200-F276 HydrophobicContact CG2-CE1 3.71Å; I200-F276 HydrophobicContact CG2-CZ 4.13Å
201S78Confident86.1Confident40 Ų4049.9 Ų49.928%0.2825%0.252SS..  trans-82.7171.8-174.262.20000113.7H204S201-H204 PolarHBondContact O-N 2.86Å
202H68Low86Confident140 Ų14046.4 Ų46.465%0.64824%0.237SC*.THydrogen-bonded Turntrans-50.6145.7169.5-164.370.6000111.5H204 T205H202-H204 VanDerWaalsContact C-N 3.34Å; H202-T205 WeakPolarHBondContact CA-O 3.49Å; H202-T205 PolarHBondContact N-OG1 2.65Å; H202-T205 PolarHBondContact ND1-O 2.99Å
203P66.2Low86Confident79 Ų7946 Ų4651%0.51324%0.237SC..THydrogen-bonded Turncis-76.4-10.17.232.4-35.6000115.5T205P203-T205 PolarHBondContact O-N 2.96Å
204H66.4Low86Confident8 Ų845 Ų454%0.03723%0.232CC..SBendtrans-76.1-9.2-171.6-51.6-55.8000113.9F21 I200 S201 H202 F276F21-H204 VanDerWaalsContact CB-CE1 3.45Å; F21-H204 WeakPolarHBondContact CB-CE1 3.39Å; F21-H204 HydrophobicContact CD1-CB 4.47Å; F21-H204 AromaticContact CD1-CE1 3.47Å; F21-H204 VanDerWaalsContact CD1-CE1 3.47Å; F21-H204 WeakPolarHBondContact CD1-CE1 3.5Å; F21-H204 AromaticContact CD1-CG 3.75Å; F21-H204 AromaticContact CD1-ND1 3.17Å; F21-H204 WeakPolarHBondContact CD1-ND1 3.32Å; F21-H204 HydrophobicContact CD2-CB 4.19Å; F21-H204 AromaticContact CD2-CD2 3.52Å; F21-H204 AromaticContact CD2-CE1 3.9Å; F21-H204 AromaticContact CD2-CG 3.54Å; F21-H204 AromaticContact CD2-ND1 3.78Å; F21-H204 AromaticContact CD2-NE2 3.78Å; F21-H204 HydrophobicContact CE1-CB 3.93Å; F21-H204 AromaticContact CE1-CG 3.69Å; F21-H204 AromaticContact CE1-ND1 3.39Å; F21-H204 WeakPolarHBondContact CE1-ND1 3.18Å; F21-H204 HydrophobicContact CE2-CB 3.64Å; F21-H204 AromaticContact CE2-CD2 3.87Å; F21-H204 AromaticContact CE2-CG 3.52Å; F21-H204 AromaticContact CG-CD2 3.8Å; F21-H204 AromaticContact CG-CE1 3.33Å; F21-H204 WeakPolarHBondContact CG-CE1 3.49Å; F21-H204 AromaticContact CG-CG 3.69Å; F21-H204 AromaticContact CG-ND1 3.4Å; F21-H204 WeakPolarHBondContact CG-ND1 3.23Å; F21-H204 AromaticContact CG-NE2 3.61Å; F21-H204 HydrophobicContact CZ-CB 3.5Å; F21-H204 AromaticContact CZ-CG 3.61Å; F21-H204 AromaticContact CZ-ND1 3.83Å; I200-H204 HydrophobicContact CG2-CB 4.1Å; S201-H204 PolarHBondContact O-N 2.86Å; H202-H204 VanDerWaalsContact C-N 3.34Å; H204-F276 WeakPolarHBondContact O-CD1 3.25Å
205T66Low86Confident22 Ų2249.8 Ų49.814%0.13525%0.25CC..  trans-126.2138168.349.60000109.4I200 H202 P203 F207 F276I200-T205 WeakPolarHBondContact O-CG2 3.29Å; I200-T205 PolarHBondContact O-OG1 2.66Å; H202-T205 WeakPolarHBondContact CA-O 3.49Å; H202-T205 PolarHBondContact N-OG1 2.65Å; H202-T205 PolarHBondContact ND1-O 2.99Å; P203-T205 PolarHBondContact O-N 2.96Å; T205-F207 HydrophobicContact CG2-CD2 4Å; T205-F207 HydrophobicContact CG2-CE1 4.42Å; T205-F207 HydrophobicContact CG2-CE2 3.78Å; T205-F207 HydrophobicContact CG2-CG 4.41Å; T205-F207 HydrophobicContact CG2-CZ 4Å; T205-F276 HydrophobicContact CG2-CE1 4.49Å
206P60.6Low86Confident105 Ų10550.8 Ų50.868%0.68225%0.253SS*.SBendcis-83.1140.53031.3-34.7000113.8R208P206-R208 PolarHBondContact O-N 3.14Å
207F73Confident85.9Confident57 Ų5752 Ų5225%0.2526%0.261CS..  trans-53.2140.5171.6-67.7-79.8000110.6T205 R209 D274 S275 F276 V287T205-F207 HydrophobicContact CG2-CD2 4Å; T205-F207 HydrophobicContact CG2-CE1 4.42Å; T205-F207 HydrophobicContact CG2-CE2 3.78Å; T205-F207 HydrophobicContact CG2-CG 4.41Å; T205-F207 HydrophobicContact CG2-CZ 4Å; F207-R209 VanDerWaalsContact C-N 3.35Å; F207-R209 PolarHBondContact O-N 3.4Å; F207-D274 HydrophobicContact CB-CB 3.96Å; F207-D274 HydrophobicContact CD1-CB 4.05Å; F207-D274 HydrophobicContact CG-CB 3.98Å; F207-S275 CarbonylContact C-O 3.56Å; F207-S275 VanDerWaalsContact CA-O 3.24Å; F207-S275 WeakPolarHBondContact CA-O 3.2Å; F207-F276 AromaticContact CD1-CD1 3.92Å; F207-F276 HydrophobicContact CD1-CD1 3.92Å; F207-F276 HydrophobicContact CD1-CE1 4.15Å; F207-F276 AromaticContact CE1-CD1 3.5Å; F207-F276 HydrophobicContact CE1-CD1 3.5Å; F207-F276 AromaticContact CE1-CE1 3.27Å; F207-F276 HydrophobicContact CE1-CE1 3.27Å; F207-F276 HydrophobicContact CE1-CG 4.29Å; F207-F276 AromaticContact CE1-CZ 3.9Å; F207-F276 HydrophobicContact CE1-CZ 3.9Å; F207-F276 HydrophobicContact CZ-CD1 4.35Å; F207-F276 AromaticContact CZ-CE1 3.77Å; F207-F276 HydrophobicContact CZ-CE1 3.77Å; F207-F276 HydrophobicContact CZ-CZ 4.39Å; F207-V287 HydrophobicContact CD1-CG2 4.49Å; F207-V287 HydrophobicContact CE1-CB 4.26Å; F207-V287 HydrophobicContact CE1-CG1 4.05Å; F207-V287 HydrophobicContact CE1-CG2 4.12Å
208R85.2Confident85.9Confident90 Ų9053.2 Ų53.234%0.3427%0.265SS..EExtended strand (participates in β ladder)trans-67.198.6159.9-70.5-167.9175.9179.57.1107.9P206 S275 D277 G279 Y284P206-R208 PolarHBondContact O-N 3.14Å; R208-S275 PolarHBondContact N-O 3.01Å; R208-S275 PolarHBondContact O-N 3.13Å; R208-S275 VanDerWaalsContact O-N 3.13Å; R208-D277 HydrophobicContact CG-CB 4.24Å; R208-D277 IonicContact CZ-OD1 3.07Å; R208-D277 VanDerWaalsContact CZ-OD1 3.25Å; R208-D277 IonicContact CZ-OD2 3.66Å; R208-D277 IonicContact NE-OD1 2.64Å; R208-D277 PolarHBondContact NE-OD1 3.3Å; R208-D277 IonicContact NE-OD2 2.85Å; R208-D277 PolarHBondContact NE-OD2 3.06Å; R208-D277 IonicContact NH2-OD1 3.74Å; R208-D277 PolarHBondContact NH2-OD1 2.84Å; R208-D277 IonicContact NH2-OD2 3.05Å; R208-D277 PolarHBondContact NH2-OD2 2.96Å; R208-D277 VanDerWaalsContact NH2-OD2 3.1Å; R208-G279 PolarHBondContact NH2-O 3.36Å; R208-G279 VanDerWaalsContact NH2-O 3.08Å; R208-Y284 WeakPolarHBondContact CD-OH 3.33Å
209R90.4Very high85.9Confident128 Ų12854.8 Ų54.848%0.48328%0.276SS..EExtended strand (participates in β ladder)trans-92.7126.4-178.7179.3162.4-75.5-178.1-9.9111.1F207 H272 D274F207-R209 VanDerWaalsContact C-N 3.35Å; F207-R209 PolarHBondContact O-N 3.4Å; R209-H272 HydrophobicContact CG-CB 3.92Å; R209-D274 WeakPolarHBondContact CB-OD1 3.2Å; R209-D274 IonicContact CZ-OD1 3.77Å; R209-D274 IonicContact CZ-OD2 2.77Å; R209-D274 IonicContact NE-OD1 3.83Å; R209-D274 PolarHBondContact NE-OD1 3.07Å; R209-D274 IonicContact NE-OD2 3.9Å; R209-D274 PolarHBondContact NE-OD2 3.34Å; R209-D274 IonicContact NH2-OD1 3.33Å; R209-D274 PolarHBondContact NH2-OD1 2.84Å; R209-D274 IonicContact NH2-OD2 3.79Å; R209-D274 PolarHBondContact NH2-OD2 3.37Å
210V92.8Very high86Confident45 Ų4559 Ų5927%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-121.8135.9175.71790000109.4S212 H272 M273V210-S212 PolarHBondContact O-N 2.75Å; V210-H272 CarbonylContact O-C 3.51Å; V210-H272 WeakPolarHBondContact O-CA 3.44Å; V210-M273 PolarHBondContact N-O 2.82Å; V210-M273 PolarHBondContact O-N 3.15Å
211T95.8Very high86.4Confident84 Ų8467.9 Ų67.952%0.51533%0.333SS..EExtended strand (participates in β ladder)trans-62.4127.3172.6-64.80000109.7R215T211-R215 HydrophobicContact CG2-CB 4.22Å
212S97.3Very high87.2Confident5 Ų574 Ų744%0.03535%0.35CS..  trans-60.3130.8176.6174.20000109.4V210 Y214 R215 R270 H271V210-S212 PolarHBondContact O-N 2.75Å; S212-Y214 PolarHBondContact O-N 3.2Å; S212-Y214 VanDerWaalsContact O-N 3.16Å; S212-Y214 PolarHBondContact OG-N 2.58Å; S212-Y214 VanDerWaalsContact OG-N 3.16Å; S212-R215 WeakPolarHBondContact O-CB 3.3Å; S212-R215 PolarHBondContact O-N 3.39Å; S212-R270 VanDerWaalsContact CB-O 3.32Å; S212-R270 WeakPolarHBondContact CB-O 3.4Å; S212-R270 PolarHBondContact OG-O 2.72Å; S212-H271 PolarHBondContact N-O 2.94Å
213P97.8Very high88.5Confident19 Ų1972.3 Ų72.312%0.12334%0.342CS..THydrogen-bonded Turntrans-66-13.6173.126.4-31.9000112.3Y233 L238 F246 L255P213-Y233 WeakPolarHBondContact O-CE1 3.43Å; P213-Y233 PolarHBondContact O-OH 2.59Å; P213-L238 HydrophobicContact CB-CD1 4.13Å; P213-L238 HydrophobicContact CB-CD2 3.63Å; P213-L238 HydrophobicContact CB-CG 4.48Å; P213-L238 HydrophobicContact CG-CD1 3.98Å; P213-L238 HydrophobicContact CG-CD2 4Å; P213-F246 HydrophobicContact CB-CE2 4.46Å; P213-F246 HydrophobicContact CG-CD2 4.27Å; P213-F246 HydrophobicContact CG-CE1 4.15Å; P213-F246 HydrophobicContact CG-CE2 3.82Å; P213-F246 HydrophobicContact CG-CZ 3.76Å; P213-L255 HydrophobicContact CG-CD2 3.61Å
214Y98.4Very high90Very high15 Ų1574.7 Ų74.76%0.05934%0.344CS..THydrogen-bonded Turntrans-104.723.6171.9-70-99.1000112.1S212 R216 W227 Y233 C234 L238 L255 L307 P308 Q311S212-Y214 PolarHBondContact O-N 3.2Å; S212-Y214 VanDerWaalsContact O-N 3.16Å; S212-Y214 PolarHBondContact OG-N 2.58Å; S212-Y214 VanDerWaalsContact OG-N 3.16Å; Y214-R216 PolarHBondContact O-N 2.81Å; Y214-W227 VanDerWaalsContact C-NE1 3.3Å; Y214-W227 HydrophobicContact CD1-CB 3.85Å; Y214-W227 AromaticContact CD1-CD2 3.65Å; Y214-W227 HydrophobicContact CD1-CD2 3.65Å; Y214-W227 AromaticContact CD1-CE3 3.66Å; Y214-W227 HydrophobicContact CD1-CE3 3.66Å; Y214-W227 AromaticContact CD1-CG 3.74Å; Y214-W227 HydrophobicContact CD1-CG 3.74Å; Y214-W227 HydrophobicContact CD1-CZ3 4.41Å; Y214-W227 HydrophobicContact CE1-CB 3.95Å; Y214-W227 HydrophobicContact CE1-CD2 4.47Å; Y214-W227 HydrophobicContact CE1-CE3 4.33Å; Y214-W227 HydrophobicContact CE1-CG 4.34Å; Y214-W227 HydrophobicContact CG-CD2 4.39Å; Y214-W227 HydrophobicContact CG-CG 4.37Å; Y214-W227 VanDerWaalsContact O-CE2 3.31Å; Y214-W227 WeakPolarHBondContact O-CZ2 3.26Å; Y214-W227 PolarHBondContact O-NE1 2.86Å; Y214-Y233 HydrophobicContact CE1-CD1 4.25Å; Y214-Y233 HydrophobicContact CE2-CE1 4.44Å; Y214-C234 WeakPolarHBondContact OH-CB 3.38Å; Y214-L238 HydrophobicContact CE2-CD1 3.74Å; Y214-L255 HydrophobicContact CD2-CD2 3.83Å; Y214-L255 HydrophobicContact CE2-CD2 3.88Å; Y214-L307 HydrophobicContact CE1-CB 4.34Å; Y214-P308 HydrophobicContact CD1-CG 3.75Å; Y214-P308 HydrophobicContact CD2-CB 4.32Å; Y214-P308 HydrophobicContact CD2-CG 3.73Å; Y214-P308 HydrophobicContact CE1-CB 4.39Å; Y214-P308 HydrophobicContact CE1-CG 3.82Å; Y214-P308 HydrophobicContact CE2-CB 3.93Å; Y214-P308 HydrophobicContact CE2-CG 3.79Å; Y214-P308 HydrophobicContact CG-CG 3.71Å; Y214-Q311 PolarHBondContact OH-OE1 3.22Å
215R98.2Very high91.5Very high100 Ų10074.6 Ų74.638%0.37735%0.345SS..  trans-56.6128.6172.8-179.7177.7-178.6-74.53.1109.6T211 S212 Y218 W227 H271T211-R215 HydrophobicContact CG2-CB 4.22Å; S212-R215 WeakPolarHBondContact O-CB 3.3Å; S212-R215 PolarHBondContact O-N 3.39Å; R215-Y218 HydrophobicContact CG-CD2 4.36Å; R215-Y218 HydrophobicContact CG-CE2 3.97Å; R215-Y218 VanDerWaalsContact CZ-CD2 3.48Å; R215-W227 PolarHBondContact O-NE1 3.45Å; R215-H271 HydrophobicContact CG-CB 3.82Å
216R98.3Very high93Very high22 Ų2276.5 Ų76.58%0.08335%0.352CS..  trans-67.6174.5173.3-67.9-178.9-179.5-95.2-3.3111.5Y110 Y214 Y218 W227 Q268 D302 D304Y110-R216 HydrophobicContact CE1-CB 4.25Å; Y110-R216 VanDerWaalsContact CE1-CD 3.48Å; Y110-R216 HydrophobicContact CE1-CG 4.43Å; Y110-R216 HydrophobicContact CE2-CB 3.69Å; Y110-R216 HydrophobicContact CE2-CG 4.38Å; Y110-R216 WeakPolarHBondContact OH-CB 3.46Å; Y214-R216 PolarHBondContact O-N 2.81Å; R216-Y218 HydrophobicContact CB-CD2 4.47Å; R216-Y218 HydrophobicContact CB-CE2 4.15Å; R216-Y218 VanDerWaalsContact O-CD2 3.29Å; R216-Y218 WeakPolarHBondContact O-CD2 3.36Å; R216-W227 HydrophobicContact CB-CZ2 4.46Å; R216-W227 HydrophobicContact CG-CH2 4.09Å; R216-W227 HydrophobicContact CG-CZ2 3.65Å; R216-Q268 WeakPolarHBondContact CD-O 3.3Å; R216-Q268 PolarHBondContact NE-O 3.18Å; R216-D302 IonicContact CZ-OD2 2.82Å; R216-D302 IonicContact NH1-OD2 3.5Å; R216-D302 IonicContact NH2-OD1 3.57Å; R216-D302 IonicContact NH2-OD2 3.26Å; R216-D302 PolarHBondContact NH2-OD2 3.02Å; R216-D304 IonicContact NH1-OD2 2.82Å
217T97.5Very high94.8Very high27 Ų2771.8 Ų71.817%0.16632%0.321CS..  trans-76.1-25.8-174.959.20000114.4Y110 S219 R222 K224 A225Y110-T217 PolarHBondContact OH-OG1 3.05Å; T217-S219 PolarHBondContact O-N 3.25Å; T217-R222 WeakPolarHBondContact CB-O 3.28Å; T217-R222 HydrophobicContact CG2-CG 4.23Å; T217-R222 WeakPolarHBondContact CG2-O 3.49Å; T217-R222 PolarHBondContact OG1-O 2.63Å; T217-K224 VanDerWaalsContact CG2-C 3.44Å; T217-K224 WeakPolarHBondContact CG2-O 3.48Å; T217-A225 HydrophobicContact CG2-CB 3.95Å
218Y96.3Very high96Very high54 Ų5470.5 Ų70.521%0.21232%0.316CS..  trans54.437.3-171.6-67.8-97.2000112.6Y110 F111 R215 R216 D269 H271Y110-Y218 HydrophobicContact CD2-CD1 4.43Å; Y110-Y218 AromaticContact CD2-CE1 3.96Å; Y110-Y218 HydrophobicContact CD2-CE1 3.96Å; Y110-Y218 AromaticContact CE2-CD1 3.94Å; Y110-Y218 HydrophobicContact CE2-CD1 3.94Å; Y110-Y218 HydrophobicContact CE2-CD2 4.16Å; Y110-Y218 AromaticContact CE2-CE1 3.82Å; Y110-Y218 HydrophobicContact CE2-CE1 3.82Å; Y110-Y218 HydrophobicContact CE2-CE2 4.04Å; Y110-Y218 HydrophobicContact CE2-CG 4.06Å; Y110-Y218 AromaticContact CE2-CZ 3.82Å; Y110-Y218 PolarHBondContact OH-N 2.91Å; F111-Y218 HydrophobicContact CB-CD1 3.68Å; F111-Y218 HydrophobicContact CB-CE1 3.98Å; F111-Y218 HydrophobicContact CD1-CD1 4.27Å; F111-Y218 HydrophobicContact CG-CD1 4.35Å; R215-Y218 HydrophobicContact CG-CD2 4.36Å; R215-Y218 HydrophobicContact CG-CE2 3.97Å; R215-Y218 VanDerWaalsContact CZ-CD2 3.48Å; R216-Y218 HydrophobicContact CB-CD2 4.47Å; R216-Y218 HydrophobicContact CB-CE2 4.15Å; R216-Y218 VanDerWaalsContact O-CD2 3.29Å; R216-Y218 WeakPolarHBondContact O-CD2 3.36Å; Y218-D269 VanDerWaalsContact CE1-OD1 3.22Å; Y218-D269 WeakPolarHBondContact CE1-OD1 3.23Å; Y218-D269 VanDerWaalsContact CZ-OD1 3.31Å; Y218-D269 PolarHBondContact OH-OD1 2.65Å; Y218-H271 HydrophobicContact CE2-CB 3.73Å; Y218-H271 AromaticContact CZ-CD2 3.72Å; Y218-H271 AromaticContact CZ-CG 3.98Å; Y218-H271 WeakPolarHBondContact OH-CB 3.49Å; Y218-H271 PolarHBondContact OH-CD2 3.05Å
219S96.4Very high96.5Very high37 Ų3771.7 Ų71.726%0.25933%0.328SS..  trans-141.5133-177135.60000111.4T217 K221 R222T217-S219 PolarHBondContact O-N 3.25Å; S219-K221 VanDerWaalsContact C-N 3.3Å; S219-K221 PolarHBondContact O-N 3.34Å; S219-K221 PolarHBondContact OG-N 3.49Å; S219-R222 CarbonylContact O-C 3.56Å; S219-R222 VanDerWaalsContact O-O 3.08Å; S219-R222 PolarHBondContact OG-N 3.39Å; S219-R222 PolarHBondContact OG-O 2.86Å; S219-R222 VanDerWaalsContact OG-O 3.08Å
220K94.8Very high96.8Very high153 Ų15368.1 Ų68.167%0.66532%0.319SS*.SBendtrans-70.7-20.7173.863.3-178.7177.6-178.80114.2F109 Q223F109-K220 HydrophobicContact CE2-CB 4Å; F109-K220 HydrophobicContact CZ-CB 4.17Å; K220-Q223 WeakPolarHBondContact O-CG 3.45Å; K220-Q223 PolarHBondContact O-NE2 3.06Å
221K96.5Very high96.9Very high196 Ų19672.3 Ų72.385%0.85234%0.339SS*.SBendtrans-89-59.3-179-66.7-174.1177-176.20111.5S219S219-K221 VanDerWaalsContact C-N 3.3Å; S219-K221 PolarHBondContact O-N 3.34Å; S219-K221 PolarHBondContact OG-N 3.49Å
222R95.2Very high96.9Very high168 Ų16871.1 Ų71.163%0.63433%0.332SS*.SBendtrans-93.197.4171.5-179.6-179.1155.1178.1-7.3108.6T217 S219T217-R222 WeakPolarHBondContact CB-O 3.28Å; T217-R222 HydrophobicContact CG2-CG 4.23Å; T217-R222 WeakPolarHBondContact CG2-O 3.49Å; T217-R222 PolarHBondContact OG1-O 2.63Å; S219-R222 CarbonylContact O-C 3.56Å; S219-R222 VanDerWaalsContact O-O 3.08Å; S219-R222 PolarHBondContact OG-N 3.39Å; S219-R222 PolarHBondContact OG-O 2.86Å; S219-R222 VanDerWaalsContact OG-O 3.08Å
223Q95.5Very high97Very high105 Ų10572.2 Ų72.249%0.49134%0.336SS..  trans-93.8-14.7-173.8-62.1-179.23.400113.9F109 K220F109-Q223 HydrophobicContact CE1-CG 4.17Å; K220-Q223 WeakPolarHBondContact O-CG 3.45Å; K220-Q223 PolarHBondContact O-NE2 3.06Å
224K96.8Very high97Very high128 Ų12871.3 Ų71.356%0.55733%0.33SS*.  trans-110.6129.4178.6-63.2-171.8176.3-173.50111.8T217 Q228 L229T217-K224 VanDerWaalsContact CG2-C 3.44Å; T217-K224 WeakPolarHBondContact CG2-O 3.48Å; K224-Q228 HydrophobicContact CB-CB 4.32Å; K224-L229 HydrophobicContact CB-CD1 4.21Å; K224-L229 HydrophobicContact CB-CD2 3.95Å; K224-L229 HydrophobicContact CB-CG 3.99Å; K224-L229 HydrophobicContact CD-CD2 3.54Å; K224-L229 HydrophobicContact CD-CG 4.46Å; K224-L229 HydrophobicContact CG-CD2 4.38Å
225A98Very high96.8Very high7 Ų775.6 Ų75.66%0.05835%0.351CS..  trans-85.9167.8171.500000111.1T217 W227 Q228 L229T217-A225 HydrophobicContact CG2-CB 3.95Å; A225-W227 VanDerWaalsContact C-N 3.26Å; A225-W227 HydrophobicContact CB-CD2 4.35Å; A225-W227 HydrophobicContact CB-CG 4.24Å; A225-W227 HydrophobicContact CB-CZ2 4.35Å; A225-W227 PolarHBondContact O-N 2.84Å; A225-Q228 PolarHBondContact O-N 3.3Å; A225-L229 PolarHBondContact O-N 3.22Å
226E97.7Very high96.7Very high61 Ų6175.5 Ų75.529%0.28535%0.35SS..Hα-helixtrans-56.4-42.3179.9-175-172.6158.300111.7Q228 L229 N230 Y233 R236 R237E226-Q228 PolarHBondContact O-N 3.06Å; E226-L229 PolarHBondContact O-N 2.84Å; E226-N230 WeakPolarHBondContact O-CB 3.3Å; E226-N230 PolarHBondContact O-N 3.42Å; E226-Y233 HydrophobicContact CB-CD2 4.2Å; E226-Y233 HydrophobicContact CB-CE2 4.14Å; E226-Y233 HydrophobicContact CG-CD2 3.83Å; E226-Y233 HydrophobicContact CG-CE2 4.13Å; E226-R236 IonicContact OE1-CZ 3.83Å; E226-R236 IonicContact OE1-NH1 3.81Å; E226-R236 IonicContact OE1-NH2 2.89Å; E226-R236 PolarHBondContact OE1-NH2 3.45Å; E226-R237 IonicContact OE1-CZ 3.44Å; E226-R237 IonicContact OE1-NE 2.73Å; E226-R237 PolarHBondContact OE1-NE 3.21Å; E226-R237 VanDerWaalsContact OE1-NE 3.13Å; E226-R237 IonicContact OE1-NH2 3.46Å; E226-R237 PolarHBondContact OE1-NH2 3.44Å; E226-R237 IonicContact OE2-CZ 3.37Å; E226-R237 IonicContact OE2-NE 3.66Å; E226-R237 IonicContact OE2-NH2 3.71Å; E226-R237 PolarHBondContact OE2-NH2 3.34Å
227W98.3Very high96.6Very high7 Ų779.9 Ų79.93%0.02737%0.367CS..Hα-helixtrans-67.2-2118060.4-101.4000113.8Y214 R215 R216 A225 Y233 D304 L307 Q311Y214-W227 VanDerWaalsContact C-NE1 3.3Å; Y214-W227 HydrophobicContact CD1-CB 3.85Å; Y214-W227 AromaticContact CD1-CD2 3.65Å; Y214-W227 HydrophobicContact CD1-CD2 3.65Å; Y214-W227 AromaticContact CD1-CE3 3.66Å; Y214-W227 HydrophobicContact CD1-CE3 3.66Å; Y214-W227 AromaticContact CD1-CG 3.74Å; Y214-W227 HydrophobicContact CD1-CG 3.74Å; Y214-W227 HydrophobicContact CD1-CZ3 4.41Å; Y214-W227 HydrophobicContact CE1-CB 3.95Å; Y214-W227 HydrophobicContact CE1-CD2 4.47Å; Y214-W227 HydrophobicContact CE1-CE3 4.33Å; Y214-W227 HydrophobicContact CE1-CG 4.34Å; Y214-W227 HydrophobicContact CG-CD2 4.39Å; Y214-W227 HydrophobicContact CG-CG 4.37Å; Y214-W227 VanDerWaalsContact O-CE2 3.31Å; Y214-W227 WeakPolarHBondContact O-CZ2 3.26Å; Y214-W227 PolarHBondContact O-NE1 2.86Å; R215-W227 PolarHBondContact O-NE1 3.45Å; R216-W227 HydrophobicContact CB-CZ2 4.46Å; R216-W227 HydrophobicContact CG-CH2 4.09Å; R216-W227 HydrophobicContact CG-CZ2 3.65Å; A225-W227 VanDerWaalsContact C-N 3.26Å; A225-W227 HydrophobicContact CB-CD2 4.35Å; A225-W227 HydrophobicContact CB-CG 4.24Å; A225-W227 HydrophobicContact CB-CZ2 4.35Å; A225-W227 PolarHBondContact O-N 2.84Å; W227-Y233 HydrophobicContact CB-CD1 3.41Å; W227-Y233 VanDerWaalsContact CB-CD1 3.41Å; W227-Y233 HydrophobicContact CB-CD2 4.01Å; W227-Y233 HydrophobicContact CB-CE1 3.62Å; W227-Y233 HydrophobicContact CB-CE2 4.2Å; W227-Y233 HydrophobicContact CB-CG 3.61Å; W227-Y233 HydrophobicContact CG-CE1 4.47Å; W227-D304 HydrophobicContact CH2-CB 4.16Å; W227-D304 HydrophobicContact CZ3-CB 3.92Å; W227-D304 WeakPolarHBondContact CZ3-O 3.32Å; W227-L307 HydrophobicContact CE3-CB 4.5Å; W227-L307 HydrophobicContact CE3-CD1 3.81Å; W227-L307 HydrophobicContact CZ3-CD1 3.83Å; W227-Q311 PolarHBondContact O-NE2 3.41Å
228Q98.2Very high96.5Very high29 Ų2978.8 Ų78.814%0.13636%0.36CS..Hα-helixtrans-82-17.7173.1-66.8171.4-8700112.4K224 A225 E226 D304K224-Q228 HydrophobicContact CB-CB 4.32Å; A225-Q228 PolarHBondContact O-N 3.3Å; E226-Q228 PolarHBondContact O-N 3.06Å; Q228-D304 PolarHBondContact NE2-OD2 3.45Å
229L97.4Very high96.4Very high116 Ų11678.4 Ų78.461%0.60736%0.361SS*.Hα-helixtrans-105.2-20.4-175.4-64.2173.4000112.6K224 A225 E226K224-L229 HydrophobicContact CB-CD1 4.21Å; K224-L229 HydrophobicContact CB-CD2 3.95Å; K224-L229 HydrophobicContact CB-CG 3.99Å; K224-L229 HydrophobicContact CD-CD2 3.54Å; K224-L229 HydrophobicContact CD-CG 4.46Å; K224-L229 HydrophobicContact CG-CD2 4.38Å; A225-L229 PolarHBondContact O-N 3.22Å; E226-L229 PolarHBondContact O-N 2.84Å
230N96.7Very high96.2Very high52 Ų5280 Ų8028%0.27837%0.37SS..  trans-127.5108.8-171.9-169.5-20.7000112.3E226 T232 Y233 R236E226-N230 WeakPolarHBondContact O-CB 3.3Å; E226-N230 PolarHBondContact O-N 3.42Å; N230-T232 PolarHBondContact O-N 3.34Å; N230-T232 VanDerWaalsContact O-N 3.16Å; N230-T232 PolarHBondContact OD1-N 3.49Å; N230-T232 PolarHBondContact OD1-OG1 3.43Å; N230-Y233 WeakPolarHBondContact O-CB 3.5Å; N230-Y233 PolarHBondContact O-N 3.22Å; N230-R236 PolarHBondContact ND2-NH2 2.95Å
231N94.8Very high96.1Very high133 Ų13375.7 Ų75.771%0.71135%0.354SS*.THydrogen-bonded Turntrans-63.7-19178.8-68.5-16.1000114.2Y233N231-Y233 VanDerWaalsContact C-N 3.35Å
232T96Very high95.8Very high59 Ų5969.8 Ų69.836%0.36234%0.342SS..THydrogen-bonded Turntrans-92.27.3176.568.10000113N230 C234 E235 R236N230-T232 PolarHBondContact O-N 3.34Å; N230-T232 VanDerWaalsContact O-N 3.16Å; N230-T232 PolarHBondContact OD1-N 3.49Å; N230-T232 PolarHBondContact OD1-OG1 3.43Å; T232-C234 PolarHBondContact O-N 3.38Å; T232-E235 PolarHBondContact O-N 3.22Å; T232-R236 PolarHBondContact O-N 3.05Å; T232-R236 PolarHBondContact OG1-NE 2.77Å
233Y98.2Very high95.6Very high28 Ų2867.2 Ų67.211%0.1135%0.349CS..Hα-helixtrans-56.8-50.4-175176.3-94.2000112.4P213 Y214 E226 W227 N230 N231 E235 R236 R237P213-Y233 WeakPolarHBondContact O-CE1 3.43Å; P213-Y233 PolarHBondContact O-OH 2.59Å; Y214-Y233 HydrophobicContact CE1-CD1 4.25Å; Y214-Y233 HydrophobicContact CE2-CE1 4.44Å; E226-Y233 HydrophobicContact CB-CD2 4.2Å; E226-Y233 HydrophobicContact CB-CE2 4.14Å; E226-Y233 HydrophobicContact CG-CD2 3.83Å; E226-Y233 HydrophobicContact CG-CE2 4.13Å; W227-Y233 HydrophobicContact CB-CD1 3.41Å; W227-Y233 VanDerWaalsContact CB-CD1 3.41Å; W227-Y233 HydrophobicContact CB-CD2 4.01Å; W227-Y233 HydrophobicContact CB-CE1 3.62Å; W227-Y233 HydrophobicContact CB-CE2 4.2Å; W227-Y233 HydrophobicContact CB-CG 3.61Å; W227-Y233 HydrophobicContact CG-CE1 4.47Å; N230-Y233 WeakPolarHBondContact O-CB 3.5Å; N230-Y233 PolarHBondContact O-N 3.22Å; N231-Y233 VanDerWaalsContact C-N 3.35Å; Y233-E235 PolarHBondContact O-N 2.96Å; Y233-R236 PolarHBondContact O-N 2.91Å; Y233-R237 HydrophobicContact CD2-CB 4.45Å; Y233-R237 HydrophobicContact CD2-CG 3.73Å; Y233-R237 HydrophobicContact CE2-CB 4.24Å; Y233-R237 HydrophobicContact CE2-CG 3.65Å; Y233-R237 HydrophobicContact CG-CG 4.33Å; Y233-R237 VanDerWaalsContact O-CB 3.24Å; Y233-R237 WeakPolarHBondContact O-CB 3.36Å; Y233-R237 WeakPolarHBondContact O-CG 3.3Å; Y233-R237 PolarHBondContact O-N 3.28Å
234C97.6Very high95.4Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-59.3-47.9179.1-172.10000112.7Y214 T232 L238 L239 Q311 C312Y214-C234 WeakPolarHBondContact OH-CB 3.38Å; T232-C234 PolarHBondContact O-N 3.38Å; C234-L238 WeakPolarHBondContact O-CA 3.21Å; C234-L238 VanDerWaalsContact O-CB 3.3Å; C234-L238 WeakPolarHBondContact O-CB 3.37Å; C234-L238 PolarHBondContact O-N 3.04Å; C234-L239 PolarHBondContact O-N 2.87Å; C234-Q311 HydrophobicContact CB-CB 3.67Å; C234-C312 HydrophobicContact CB-CB 3.99Å; C234-C312 WeakPolarHBondContact CB-SG 3.48Å; C234-C312 WeakPolarHBondContact SG-CA 3.4Å; C234-C312 WeakPolarHBondContact SG-CB 3.43Å; C234-C312 CovalentContact SG-SG 2.01Å; C234-C312 PolarHBondContact SG-SG 3.2Å
235E94.7Very high95.2Very high106 Ų10660 Ų6050%0.49533%0.325SS..Iπ-helixtrans-55.5-57.5179.9-175.7173.9-167.800110.3T232 Y233 L239 T240T232-E235 PolarHBondContact O-N 3.22Å; Y233-E235 PolarHBondContact O-N 2.96Å; E235-L239 PolarHBondContact O-N 3.42Å; E235-T240 HydrophobicContact CG-CG2 4.02Å; E235-T240 WeakPolarHBondContact O-CB 3.05Å; E235-T240 WeakPolarHBondContact O-CG2 3.49Å; E235-T240 PolarHBondContact O-N 2.85Å; E235-T240 PolarHBondContact O-OG1 3.33Å
236R95.3Very high95Very high97 Ų9760 Ų6037%0.36632%0.323SS..Iπ-helixtrans-67.5-43.2-175.6-66.3-174.8-56.1101.38.2113.8E226 N230 T232 Y233 T240E226-R236 IonicContact OE1-CZ 3.83Å; E226-R236 IonicContact OE1-NH1 3.81Å; E226-R236 IonicContact OE1-NH2 2.89Å; E226-R236 PolarHBondContact OE1-NH2 3.45Å; N230-R236 PolarHBondContact ND2-NH2 2.95Å; T232-R236 PolarHBondContact O-N 3.05Å; T232-R236 PolarHBondContact OG1-NE 2.77Å; Y233-R236 PolarHBondContact O-N 2.91Å; R236-T240 WeakPolarHBondContact CA-OG1 3.47Å; R236-T240 PolarHBondContact O-OG1 2.88Å
237R96Very high94.9Very high114 Ų11457.8 Ų57.843%0.4332%0.315SS..Iπ-helixtrans-93.2-28.3-168.8-62.3-69.3-159159.95.1113.3E226 Y233 N241E226-R237 IonicContact OE1-CZ 3.44Å; E226-R237 IonicContact OE1-NE 2.73Å; E226-R237 PolarHBondContact OE1-NE 3.21Å; E226-R237 VanDerWaalsContact OE1-NE 3.13Å; E226-R237 IonicContact OE1-NH2 3.46Å; E226-R237 PolarHBondContact OE1-NH2 3.44Å; E226-R237 IonicContact OE2-CZ 3.37Å; E226-R237 IonicContact OE2-NE 3.66Å; E226-R237 IonicContact OE2-NH2 3.71Å; E226-R237 PolarHBondContact OE2-NH2 3.34Å; Y233-R237 HydrophobicContact CD2-CB 4.45Å; Y233-R237 HydrophobicContact CD2-CG 3.73Å; Y233-R237 HydrophobicContact CE2-CB 4.24Å; Y233-R237 HydrophobicContact CE2-CG 3.65Å; Y233-R237 HydrophobicContact CG-CG 4.33Å; Y233-R237 VanDerWaalsContact O-CB 3.24Å; Y233-R237 WeakPolarHBondContact O-CB 3.36Å; Y233-R237 WeakPolarHBondContact O-CG 3.3Å; Y233-R237 PolarHBondContact O-N 3.28Å; R237-N241 WeakPolarHBondContact O-CB 3.43Å; R237-N241 PolarHBondContact O-ND2 3.38Å
238L95.9Very high94.6Very high5 Ų562.9 Ų62.93%0.02634%0.337CS..Iπ-helixtrans-114.6-53.2-171.8-52.2-176.9000112.7P213 Y214 C234 F246 S247 L252 L255P213-L238 HydrophobicContact CB-CD1 4.13Å; P213-L238 HydrophobicContact CB-CD2 3.63Å; P213-L238 HydrophobicContact CB-CG 4.48Å; P213-L238 HydrophobicContact CG-CD1 3.98Å; P213-L238 HydrophobicContact CG-CD2 4Å; Y214-L238 HydrophobicContact CE2-CD1 3.74Å; C234-L238 WeakPolarHBondContact O-CA 3.21Å; C234-L238 VanDerWaalsContact O-CB 3.3Å; C234-L238 WeakPolarHBondContact O-CB 3.37Å; C234-L238 PolarHBondContact O-N 3.04Å; L238-F246 HydrophobicContact CB-CB 4.09Å; L238-F246 HydrophobicContact CD2-CB 4.21Å; L238-F246 HydrophobicContact CD2-CD2 3.94Å; L238-F246 HydrophobicContact CD2-CG 4.24Å; L238-S247 VanDerWaalsContact O-CA 3.25Å; L238-S247 WeakPolarHBondContact O-CA 3.39Å; L238-S247 VanDerWaalsContact O-CB 3.31Å; L238-S247 WeakPolarHBondContact O-CB 3.27Å; L238-S247 PolarHBondContact O-N 3.27Å; L238-L252 HydrophobicContact CD1-CD1 4.09Å; L238-L255 HydrophobicContact CD1-CD2 4.35Å
239L93.9Very high94.3Very high46 Ų4661.9 Ų61.924%0.24134%0.335CS..Iπ-helixtrans-78-49-173.7-71.4169.4000112.6C234 E235 L252 L388C234-L239 PolarHBondContact O-N 2.87Å; E235-L239 PolarHBondContact O-N 3.42Å; L239-L252 HydrophobicContact CD2-CD2 3.41Å; L239-L252 VanDerWaalsContact CD2-CD2 3.41Å; L239-L252 HydrophobicContact CG-CD2 4.05Å; L239-L388 HydrophobicContact CD2-CD1 4.2Å; L239-L388 HydrophobicContact CD2-CD2 4.05Å
240T92Very high94.1Very high70 Ų7056.7 Ų56.743%0.42931%0.307SS..SBendtrans-87.2-19.3-174.964.40000113.1E235 R236 A242 K391E235-T240 HydrophobicContact CG-CG2 4.02Å; E235-T240 WeakPolarHBondContact O-CB 3.05Å; E235-T240 WeakPolarHBondContact O-CG2 3.49Å; E235-T240 PolarHBondContact O-N 2.85Å; E235-T240 PolarHBondContact O-OG1 3.33Å; R236-T240 WeakPolarHBondContact CA-OG1 3.47Å; R236-T240 PolarHBondContact O-OG1 2.88Å; T240-A242 PolarHBondContact O-N 3.48Å; T240-K391 PolarHBondContact O-NZ 3.12Å
241N92.7Very high94Very high63 Ų6356.6 Ų56.634%0.33730%0.304SS..  trans-77.9101.3178-178.42.7000111R237 S243 S244 S247R237-N241 WeakPolarHBondContact O-CB 3.43Å; R237-N241 PolarHBondContact O-ND2 3.38Å; N241-S243 PolarHBondContact O-N 2.99Å; N241-S243 WeakPolarHBondContact OD1-CB 3.42Å; N241-S243 PolarHBondContact OD1-N 3.44Å; N241-S244 WeakPolarHBondContact O-CB 3.47Å; N241-S244 PolarHBondContact O-N 3Å; N241-S247 VanDerWaalsContact O-CB 3.3Å; N241-S247 WeakPolarHBondContact O-CB 3.42Å
242A90.2Very high94Very high72 Ų7250.2 Ų50.260%0.59527%0.27SS*.THydrogen-bonded Turntrans-62.5-25.5-177.600000113.9T240 S244T240-A242 PolarHBondContact O-N 3.48Å; A242-S244 VanDerWaalsContact C-N 3.25Å; A242-S244 PolarHBondContact O-N 3.01Å
243S91.3Very high94.1Very high113 Ų11347.4 Ų47.479%0.7925%0.253SS*.THydrogen-bonded Turntrans-76.3-14.6174.8-520000112.5N241N241-S243 PolarHBondContact O-N 2.99Å; N241-S243 WeakPolarHBondContact OD1-CB 3.42Å; N241-S243 PolarHBondContact OD1-N 3.44Å
244S92.7Very high94Very high11 Ų1146.2 Ų46.28%0.07725%0.248CC..SBendtrans-71.8130.3176.8-176.90000110.4N241 A242 F246 S247N241-S244 WeakPolarHBondContact O-CB 3.47Å; N241-S244 PolarHBondContact O-N 3Å; A242-S244 VanDerWaalsContact C-N 3.25Å; A242-S244 PolarHBondContact O-N 3.01Å; S244-F246 PolarHBondContact O-N 2.78Å; S244-F246 VanDerWaalsContact O-N 3.08Å; S244-F246 PolarHBondContact OG-N 3Å; S244-S247 WeakPolarHBondContact O-CB 3.11Å; S244-S247 PolarHBondContact O-N 2.81Å; S244-S247 VanDerWaalsContact O-N 3.11Å; S244-S247 PolarHBondContact O-OG 3.08Å
245P91.7Very high94Very high70 Ų7046.4 Ų46.446%0.45525%0.249SC..THydrogen-bonded Turntrans-66.9-8.6173.630.6-36.2000112.5K251P245-K251 HydrophobicContact CB-CD 4.04Å
246F94.5Very high94.2Very high8 Ų841.4 Ų41.44%0.03523%0.226CC..THydrogen-bonded Turntrans-91.8-3.3176.6-59-87.7000113.4P213 L238 S244 K248 K251 L252 L255 M273 L388P213-F246 HydrophobicContact CB-CE2 4.46Å; P213-F246 HydrophobicContact CG-CD2 4.27Å; P213-F246 HydrophobicContact CG-CE1 4.15Å; P213-F246 HydrophobicContact CG-CE2 3.82Å; P213-F246 HydrophobicContact CG-CZ 3.76Å; L238-F246 HydrophobicContact CB-CB 4.09Å; L238-F246 HydrophobicContact CD2-CB 4.21Å; L238-F246 HydrophobicContact CD2-CD2 3.94Å; L238-F246 HydrophobicContact CD2-CG 4.24Å; S244-F246 PolarHBondContact O-N 2.78Å; S244-F246 VanDerWaalsContact O-N 3.08Å; S244-F246 PolarHBondContact OG-N 3Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.97Å; F246-K251 HydrophobicContact CD1-CB 4.33Å; F246-K251 HydrophobicContact CD1-CD 4.3Å; F246-K251 HydrophobicContact CD1-CG 3.82Å; F246-K251 HydrophobicContact CE1-CD 4.14Å; F246-K251 HydrophobicContact CE1-CG 3.73Å; F246-K251 HydrophobicContact CZ-CD 4.4Å; F246-K251 HydrophobicContact CZ-CG 4.44Å; F246-L252 HydrophobicContact CB-CB 4.33Å; F246-L252 HydrophobicContact CB-CD1 4.41Å; F246-L252 WeakPolarHBondContact O-CB 3.43Å; F246-L255 HydrophobicContact CD1-CD2 4.32Å; F246-L255 HydrophobicContact CE1-CB 4.34Å; F246-L255 HydrophobicContact CE1-CD2 4.2Å; F246-M273 HydrophobicContact CE1-SD 3.98Å; F246-M273 HydrophobicContact CZ-SD 4.26Å; F246-L388 WeakPolarHBondContact O-CD1 3.02Å
247S93.8Very high94.4Very high14 Ų1436.8 Ų36.810%0.09821%0.208CC..SBendtrans-79.1-13.2-176.164.10000114.7L238 N241 S244L238-S247 VanDerWaalsContact O-CA 3.25Å; L238-S247 WeakPolarHBondContact O-CA 3.39Å; L238-S247 VanDerWaalsContact O-CB 3.31Å; L238-S247 WeakPolarHBondContact O-CB 3.27Å; L238-S247 PolarHBondContact O-N 3.27Å; N241-S247 VanDerWaalsContact O-CB 3.3Å; N241-S247 WeakPolarHBondContact O-CB 3.42Å; S244-S247 WeakPolarHBondContact O-CB 3.11Å; S244-S247 PolarHBondContact O-N 2.81Å; S244-S247 VanDerWaalsContact O-N 3.11Å; S244-S247 PolarHBondContact O-OG 3.08Å
248K92.2Very high94.5Very high115 Ų11531.4 Ų31.450%0.519%0.188SC..SBendtrans-146.9162.2-177.165-176.6178.9-176.30111.7F246F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.97Å
249G92Very high94.6Very high8 Ų831.4 Ų31.48%0.08219%0.188CC..BIsolated β-bridgetrans73.3-146.617300000113.3E283 L388G249-E283 WeakPolarHBondContact CA-OE1 3.4Å; G249-L388 PolarHBondContact N-O 2.9Å; G249-L388 VanDerWaalsContact N-O 3.11Å; G249-L388 PolarHBondContact O-N 2.02Å
250R93.4Very high94.8Very high6 Ų629.2 Ų29.22%0.02318%0.177CC..SBendtrans-93.3-19.5-174.366.2178.4-63.4162.24.7115.4L252 L253 D254 E283 S285R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 3.03Å; R250-L253 WeakPolarHBondContact O-CA 2.89Å; R250-L253 WeakPolarHBondContact O-CB 3.05Å; R250-L253 PolarHBondContact O-N 3.47Å; R250-D254 WeakPolarHBondContact CG-OD2 3.39Å; R250-D254 IonicContact CZ-OD1 3.09Å; R250-D254 IonicContact CZ-OD2 2.97Å; R250-D254 IonicContact NE-OD1 2.72Å; R250-D254 PolarHBondContact NE-OD1 3.13Å; R250-D254 IonicContact NE-OD2 2.9Å; R250-D254 PolarHBondContact NE-OD2 3.16Å; R250-D254 IonicContact NH2-OD1 2.64Å; R250-D254 PolarHBondContact NH2-OD1 2.83Å; R250-D254 IonicContact NH2-OD2 2.74Å; R250-D254 PolarHBondContact O-N 2.82Å; R250-E283 HydrophobicContact CG-CB 4.48Å; R250-E283 HydrophobicContact CG-CG 4.42Å; R250-E283 PolarHBondContact N-OE1 2.83Å; R250-S285 VanDerWaalsContact NH2-CB 3.32Å
251K94.1Very high95.2Very high50 Ų5025.9 Ų25.922%0.21716%0.156CC..Hα-helixtrans-59.9-37.6-163.5-164.9171.8-177163.10114.3P245 F246 D254 L255P245-K251 HydrophobicContact CB-CD 4.04Å; F246-K251 HydrophobicContact CD1-CB 4.33Å; F246-K251 HydrophobicContact CD1-CD 4.3Å; F246-K251 HydrophobicContact CD1-CG 3.82Å; F246-K251 HydrophobicContact CE1-CD 4.14Å; F246-K251 HydrophobicContact CE1-CG 3.73Å; F246-K251 HydrophobicContact CZ-CD 4.4Å; F246-K251 HydrophobicContact CZ-CG 4.44Å; K251-D254 PolarHBondContact O-N 3.22Å; K251-L255 PolarHBondContact O-N 2.84Å; K251-L255 VanDerWaalsContact O-N 3.08Å
252L96.4Very high95.5Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-66.2-42.3173.3-175.460000111.9L238 L239 F246 R250 D254 L255 I256 C312 V314 L388L238-L252 HydrophobicContact CD1-CD1 4.09Å; L239-L252 HydrophobicContact CD2-CD2 3.41Å; L239-L252 VanDerWaalsContact CD2-CD2 3.41Å; L239-L252 HydrophobicContact CG-CD2 4.05Å; F246-L252 HydrophobicContact CB-CB 4.33Å; F246-L252 HydrophobicContact CB-CD1 4.41Å; F246-L252 WeakPolarHBondContact O-CB 3.43Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 3.03Å; L252-D254 VanDerWaalsContact C-N 3.26Å; L252-D254 PolarHBondContact O-N 3.47Å; L252-L255 HydrophobicContact CD1-CD2 4.03Å; L252-L255 WeakPolarHBondContact O-CA 3.25Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.13Å; L252-L255 VanDerWaalsContact O-N 3.11Å; L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.17Å; L252-C312 HydrophobicContact CD2-CB 4.26Å; L252-V314 HydrophobicContact CD2-CG2 3.87Å; L252-V314 HydrophobicContact CG-CG2 4.23Å; L252-L388 HydrophobicContact CB-CD1 3.61Å; L252-L388 HydrophobicContact CD2-CD1 3.74Å; L252-L388 HydrophobicContact CG-CD1 4.29Å
253L96.9Very high95.9Very high0 Ų019.6 Ų19.60%011%0.113CC..Hα-helixtrans-66.6-30.6177.9-63.7167000111.9R250 I256 D257 V314 R316 L385 Q386R250-L253 WeakPolarHBondContact O-CA 2.89Å; R250-L253 WeakPolarHBondContact O-CB 3.05Å; R250-L253 PolarHBondContact O-N 3.47Å; L253-I256 PolarHBondContact O-N 2.97Å; L253-D257 PolarHBondContact O-N 2.9Å; L253-V314 HydrophobicContact CD2-CB 4.2Å; L253-V314 HydrophobicContact CD2-CG2 4.1Å; L253-R316 PolarHBondContact O-NH1 2.89Å; L253-L385 WeakPolarHBondContact CD1-O 3.36Å; L253-Q386 VanDerWaalsContact CD1-C 3.47Å; L253-Q386 VanDerWaalsContact CD1-O 3.32Å; L253-Q386 WeakPolarHBondContact CD1-O 3.15Å
254D96.9Very high96.2Very high3 Ų314.2 Ų14.22%0.0168%0.075CC..Hα-helixtrans-68.6-37.7171.5-64-21.2000111.3R250 K251 L252 L258 M273 A286 R316R250-D254 WeakPolarHBondContact CG-OD2 3.39Å; R250-D254 IonicContact CZ-OD1 3.09Å; R250-D254 IonicContact CZ-OD2 2.97Å; R250-D254 IonicContact NE-OD1 2.72Å; R250-D254 PolarHBondContact NE-OD1 3.13Å; R250-D254 IonicContact NE-OD2 2.9Å; R250-D254 PolarHBondContact NE-OD2 3.16Å; R250-D254 IonicContact NH2-OD1 2.64Å; R250-D254 PolarHBondContact NH2-OD1 2.83Å; R250-D254 IonicContact NH2-OD2 2.74Å; R250-D254 PolarHBondContact O-N 2.82Å; K251-D254 PolarHBondContact O-N 3.22Å; L252-D254 VanDerWaalsContact C-N 3.26Å; L252-D254 PolarHBondContact O-N 3.47Å; D254-L258 VanDerWaalsContact O-CB 3.29Å; D254-L258 WeakPolarHBondContact O-CB 3.11Å; D254-L258 PolarHBondContact O-N 2.74Å; D254-M273 HydrophobicContact CB-CE 4.48Å; D254-A286 HydrophobicContact CB-CB 4.1Å; D254-R316 IonicContact OD1-CZ 3.38Å; D254-R316 IonicContact OD1-NH1 2.7Å; D254-R316 IonicContact OD1-NH2 3.74Å; D254-R316 PolarHBondContact OD1-NH2 3.19Å
255L97.9Very high96.5Very high4 Ų413.7 Ų13.72%0.0217%0.072CC..Hα-helixtrans-63.7-40.6170.7173.467.6000112.3P213 Y214 L238 F246 K251 L252 L258 S259 M273P213-L255 HydrophobicContact CG-CD2 3.61Å; Y214-L255 HydrophobicContact CD2-CD2 3.83Å; Y214-L255 HydrophobicContact CE2-CD2 3.88Å; L238-L255 HydrophobicContact CD1-CD2 4.35Å; F246-L255 HydrophobicContact CD1-CD2 4.32Å; F246-L255 HydrophobicContact CE1-CB 4.34Å; F246-L255 HydrophobicContact CE1-CD2 4.2Å; K251-L255 PolarHBondContact O-N 2.84Å; K251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 HydrophobicContact CD1-CD2 4.03Å; L252-L255 WeakPolarHBondContact O-CA 3.25Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.13Å; L252-L255 VanDerWaalsContact O-N 3.11Å; L255-L258 PolarHBondContact O-N 3.15Å; L255-S259 VanDerWaalsContact O-CB 3.28Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.19Å; L255-M273 HydrophobicContact CB-CE 3.89Å; L255-M273 HydrophobicContact CB-SD 4Å; L255-M273 HydrophobicContact CD1-CE 4.46Å; L255-M273 HydrophobicContact CD1-SD 3.75Å; L255-M273 HydrophobicContact CG-SD 4.41Å
256I98.5Very high96.8Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-64.5-48176.2-60.3-49.9000111L252 L253 L258 S259 V260 P308 L309 C312 V314L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.17Å; L253-I256 PolarHBondContact O-N 2.97Å; I256-L258 VanDerWaalsContact C-N 3.29Å; I256-L258 PolarHBondContact O-N 2.96Å; I256-S259 WeakPolarHBondContact O-CB 3.31Å; I256-S259 PolarHBondContact O-N 2.8Å; I256-V260 HydrophobicContact CG2-CG2 4.46Å; I256-V260 WeakPolarHBondContact O-CG2 3.41Å; I256-V260 PolarHBondContact O-N 2.7Å; I256-P308 HydrophobicContact CD1-CB 3.52Å; I256-P308 VanDerWaalsContact CD1-O 3.25Å; I256-P308 WeakPolarHBondContact CD1-O 3.33Å; I256-L309 HydrophobicContact CG2-CB 4.36Å; I256-L309 HydrophobicContact CG2-CD1 4.23Å; I256-C312 HydrophobicContact CD1-CB 4.26Å; I256-V314 HydrophobicContact CG1-CG2 4.26Å
257D98.4Very high97Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-60.5-40.4177.6-83.97.5000111.7Y132 R134 L253 V260 L261 R316 T319Y132-D257 HydrophobicContact CE1-CB 3.95Å; Y132-D257 VanDerWaalsContact CE1-CG 3.49Å; Y132-D257 WeakPolarHBondContact CE1-OD2 3.4Å; Y132-D257 HydrophobicContact CE2-CB 4.31Å; Y132-D257 PolarHBondContact OH-O 3.2Å; R134-D257 IonicContact CZ-OD2 2.78Å; R134-D257 IonicContact NH1-OD2 3.58Å; R134-D257 IonicContact NH2-OD2 3.33Å; R134-D257 PolarHBondContact NH2-OD2 3.38Å; L253-D257 PolarHBondContact O-N 2.9Å; D257-V260 PolarHBondContact O-N 3Å; D257-L261 PolarHBondContact O-N 2.74Å; D257-R316 IonicContact OD1-NH1 3.38Å; D257-R316 IonicContact OD2-CZ 3.39Å; D257-R316 IonicContact OD2-NH1 3.45Å; D257-R316 PolarHBondContact OD2-NH1 3.19Å; D257-T319 VanDerWaalsContact CG-OG1 3.26Å; D257-T319 WeakPolarHBondContact OD1-CB 3.23Å; D257-T319 WeakPolarHBondContact OD1-CG2 3.19Å; D257-T319 PolarHBondContact OD1-OG1 3.36Å; D257-T319 PolarHBondContact OD2-OG1 2.81Å
258L98.2Very high97.3Very high1 Ų112.9 Ų12.91%0.0057%0.066CC..Hα-helixtrans-65.7-40176.6-170.955.8000111.8D254 L255 I256 L261 D262 R270 M273 H288D254-L258 VanDerWaalsContact O-CB 3.29Å; D254-L258 WeakPolarHBondContact O-CB 3.11Å; D254-L258 PolarHBondContact O-N 2.74Å; L255-L258 PolarHBondContact O-N 3.15Å; I256-L258 VanDerWaalsContact C-N 3.29Å; I256-L258 PolarHBondContact O-N 2.96Å; L258-L261 HydrophobicContact CD1-CD2 4.33Å; L258-L261 WeakPolarHBondContact O-CB 3.44Å; L258-L261 PolarHBondContact O-N 3.29Å; L258-D262 WeakPolarHBondContact O-CB 3.38Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 2.83Å; L258-R270 HydrophobicContact CD2-CG 4.08Å; L258-R270 HydrophobicContact CG-CG 4.32Å; L258-M273 HydrophobicContact CD2-CE 4.3Å; L258-M273 HydrophobicContact CD2-CG 4.08Å; L258-H288 HydrophobicContact CD1-CB 4.21Å
259S98.7Very high97.5Very high5 Ų58.6 Ų8.64%0.0355%0.049CC..Hα-helixtrans-64.1-37.8173.6165.90000112.5L255 I256 F263 I305 P308L255-S259 VanDerWaalsContact O-CB 3.28Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.19Å; I256-S259 WeakPolarHBondContact O-CB 3.31Å; I256-S259 PolarHBondContact O-N 2.8Å; S259-F263 VanDerWaalsContact O-CB 3.27Å; S259-F263 WeakPolarHBondContact O-CB 3.34Å; S259-F263 PolarHBondContact O-N 3.44Å; S259-I305 PolarHBondContact OG-O 3.18Å; S259-P308 WeakPolarHBondContact OG-CD 3.48Å; S259-P308 WeakPolarHBondContact OG-CG 3.45Å
260V98.9Very high97.8Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-64.1-47.3172.5170.30000110.6I256 D257 F263 L264 I306 M315 L323 V365I256-V260 HydrophobicContact CG2-CG2 4.46Å; I256-V260 WeakPolarHBondContact O-CG2 3.41Å; I256-V260 PolarHBondContact O-N 2.7Å; D257-V260 PolarHBondContact O-N 3Å; V260-F263 PolarHBondContact O-N 3.39Å; V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 3.16Å; V260-I306 HydrophobicContact CG2-CD1 3.84Å; V260-M315 HydrophobicContact CG2-CE 4.14Å; V260-L323 HydrophobicContact CG1-CD1 4.22Å; V260-L323 HydrophobicContact CG1-CD2 4.36Å; V260-V365 HydrophobicContact CG1-CG1 4.27Å; V260-V365 HydrophobicContact CG2-CG1 4.02Å
261L98.9Very high98Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-56.8-52.7175.2178.164.3000110.9L126 L130 Y132 D257 L258 F263 L264 M265 H288L126-L261 HydrophobicContact CB-CD1 4.23Å; L126-L261 HydrophobicContact CD2-CD1 3.76Å; L126-L261 HydrophobicContact CG-CD1 3.74Å; L130-L261 HydrophobicContact CD1-CD1 3.96Å; Y132-L261 HydrophobicContact CE2-CB 4.16Å; D257-L261 PolarHBondContact O-N 2.74Å; L258-L261 HydrophobicContact CD1-CD2 4.33Å; L258-L261 WeakPolarHBondContact O-CB 3.44Å; L258-L261 PolarHBondContact O-N 3.29Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.05Å; L261-L264 PolarHBondContact O-N 3.25Å; L261-M265 HydrophobicContact CG-CE 4.24Å; L261-M265 WeakPolarHBondContact O-CG 3.23Å; L261-M265 PolarHBondContact O-N 2.8Å; L261-M265 VanDerWaalsContact O-N 3.15Å; L261-H288 HydrophobicContact CD2-CB 3.94Å; L261-H288 WeakPolarHBondContact CD2-ND1 3.1Å
262D98.9Very high98Very high3 Ų311.1 Ų11.12%0.0166%0.058CC..Hα-helixtrans-59.9-40.8-179.4-74.9-31.2000111.4L258 M265 G266 N267 R270 I305L258-D262 WeakPolarHBondContact O-CB 3.38Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 2.83Å; D262-M265 PolarHBondContact O-N 3.09Å; D262-M265 WeakPolarHBondContact OD1-CE 3.06Å; D262-G266 CarbonylContact O-C 3.59Å; D262-G266 VanDerWaalsContact O-CA 3.31Å; D262-G266 WeakPolarHBondContact O-CA 3.49Å; D262-G266 PolarHBondContact O-N 3.32Å; D262-N267 HydrophobicContact CB-CB 4.17Å; D262-N267 PolarHBondContact O-N 3.43Å; D262-N267 PolarHBondContact OD1-ND2 3.2Å; D262-R270 IonicContact OD1-CZ 2.71Å; D262-R270 IonicContact OD1-NE 3.24Å; D262-R270 PolarHBondContact OD1-NE 2.67Å; D262-R270 IonicContact OD1-NH2 3Å; D262-R270 PolarHBondContact OD1-NH2 2Å; D262-R270 VanDerWaalsContact OD2-CB 3.25Å; D262-R270 WeakPolarHBondContact OD2-CB 3.34Å; D262-R270 VanDerWaalsContact OD2-CG 3.26Å; D262-R270 WeakPolarHBondContact OD2-CG 3.18Å; D262-R270 IonicContact OD2-CZ 3.52Å; D262-R270 IonicContact OD2-NE 3.39Å; D262-R270 PolarHBondContact OD2-NE 3.47Å; D262-R270 IonicContact OD2-NH2 3.62Å; D262-I305 HydrophobicContact CB-CG2 3.64Å
263F98.9Very high98Very high1 Ų111.5 Ų11.50%0.0046%0.06CC..Hα-helixtrans-66.5-44.6178.4179.2-107.8000111.7S259 V260 L261 M265 G266 D301 D302 I305 I306 R361 T364 V365S259-F263 VanDerWaalsContact O-CB 3.27Å; S259-F263 WeakPolarHBondContact O-CB 3.34Å; S259-F263 PolarHBondContact O-N 3.44Å; V260-F263 PolarHBondContact O-N 3.39Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.05Å; F263-M265 VanDerWaalsContact C-N 3.29Å; F263-M265 PolarHBondContact O-N 3.36Å; F263-G266 PolarHBondContact O-N 3.43Å; F263-G266 VanDerWaalsContact O-N 3.14Å; F263-D301 HydrophobicContact CE2-CB 4.42Å; F263-D301 HydrophobicContact CZ-CB 4.38Å; F263-D302 WeakPolarHBondContact CD2-O 3.4Å; F263-D302 WeakPolarHBondContact CE2-O 3.35Å; F263-I305 HydrophobicContact CB-CB 4.24Å; F263-I305 HydrophobicContact CB-CG2 3.9Å; F263-I305 HydrophobicContact CD2-CB 4.18Å; F263-I306 HydrophobicContact CB-CB 4.14Å; F263-I306 HydrophobicContact CB-CD1 4.2Å; F263-I306 HydrophobicContact CD1-CB 4.34Å; F263-I306 HydrophobicContact CD1-CG1 4.48Å; F263-I306 HydrophobicContact CD2-CB 3.98Å; F263-I306 HydrophobicContact CD2-CG2 4.25Å; F263-I306 HydrophobicContact CE2-CB 4.5Å; F263-I306 HydrophobicContact CE2-CG2 4.3Å; F263-I306 HydrophobicContact CG-CB 3.89Å; F263-I306 HydrophobicContact CG-CG1 4.41Å; F263-R361 HydrophobicContact CD1-CB 4.07Å; F263-R361 HydrophobicContact CE1-CB 3.68Å; F263-R361 HydrophobicContact CE1-CG 4.07Å; F263-R361 WeakPolarHBondContact CE1-O 2.77Å; F263-R361 HydrophobicContact CZ-CB 4.35Å; F263-R361 HydrophobicContact CZ-CG 4.25Å; F263-R361 WeakPolarHBondContact O-CD 3.37Å; F263-T364 HydrophobicContact CE1-CG2 3.81Å; F263-T364 HydrophobicContact CZ-CG2 3.64Å; F263-V365 HydrophobicContact CD1-CG2 3.55Å; F263-V365 HydrophobicContact CE1-CG2 3.96Å
264L98.9Very high97.9Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-59.5-40.2178.8-70.8174000112L126 L130 V260 L261 L323 I333 V358 R361 L362L126-L264 HydrophobicContact CD2-CB 4.03Å; L130-L264 HydrophobicContact CD1-CD1 3.89Å; L130-L264 HydrophobicContact CD2-CD1 4.02Å; V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 3.16Å; L261-L264 PolarHBondContact O-N 3.25Å; L264-L323 HydrophobicContact CD1-CD2 4.48Å; L264-I333 HydrophobicContact CD1-CD1 4.03Å; L264-V358 HydrophobicContact CD2-CG1 4.4Å; L264-R361 HydrophobicContact CD2-CB 3.87Å; L264-R361 WeakPolarHBondContact O-CD 3.24Å; L264-R361 PolarHBondContact O-NH1 2.73Å; L264-L362 HydrophobicContact CD2-CB 3.91Å
265M98.7Very high97.7Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-87.8-14175.868.5-174.917500114.3A123 L126 L261 D262 F263 N267 N291 F295 R361A123-M265 HydrophobicContact CB-SD 3.8Å; L126-M265 HydrophobicContact CD2-CB 4.35Å; L261-M265 HydrophobicContact CG-CE 4.24Å; L261-M265 WeakPolarHBondContact O-CG 3.23Å; L261-M265 PolarHBondContact O-N 2.8Å; L261-M265 VanDerWaalsContact O-N 3.15Å; D262-M265 PolarHBondContact O-N 3.09Å; D262-M265 WeakPolarHBondContact OD1-CE 3.06Å; F263-M265 VanDerWaalsContact C-N 3.29Å; F263-M265 PolarHBondContact O-N 3.36Å; M265-N267 HydrophobicContact CE-CB 3.5Å; M265-N267 HydrophobicContact CG-CB 3.86Å; M265-N267 HydrophobicContact SD-CB 4.3Å; M265-N291 HydrophobicContact CE-CB 3.95Å; M265-N291 WeakPolarHBondContact CE-OD1 3.31Å; M265-N291 HydrophobicContact SD-CB 4.31Å; M265-F295 HydrophobicContact CB-CD1 4.31Å; M265-F295 HydrophobicContact CB-CD2 3.98Å; M265-F295 HydrophobicContact CB-CE1 3.92Å; M265-F295 HydrophobicContact CB-CE2 3.55Å; M265-F295 HydrophobicContact CB-CG 4.35Å; M265-F295 HydrophobicContact CB-CZ 3.53Å; M265-F295 WeakPolarHBondContact O-CA 3.32Å; M265-F295 PolarHBondContact O-N 3.21Å; M265-F295 HydrophobicContact SD-CE2 4.47Å; M265-R361 PolarHBondContact O-NH1 3.47Å
266G98.7Very high97.3Very high21 Ų2112.2 Ų12.222%0.2166%0.064CC..THydrogen-bonded Turntrans7532.4-175.500000113.9D262 F263D262-G266 CarbonylContact O-C 3.59Å; D262-G266 VanDerWaalsContact O-CA 3.31Å; D262-G266 WeakPolarHBondContact O-CA 3.49Å; D262-G266 PolarHBondContact O-N 3.32Å; F263-G266 PolarHBondContact O-N 3.43Å; F263-G266 VanDerWaalsContact O-N 3.14Å
267N98.6Very high96.7Very high1 Ų114.8 Ų14.81%0.0058%0.078CC..  trans-82.9113.4176.7-179.925.1000111.2D262 M265 D269 R270D262-N267 HydrophobicContact CB-CB 4.17Å; D262-N267 PolarHBondContact O-N 3.43Å; D262-N267 PolarHBondContact OD1-ND2 3.2Å; M265-N267 HydrophobicContact CE-CB 3.5Å; M265-N267 HydrophobicContact CG-CB 3.86Å; M265-N267 HydrophobicContact SD-CB 4.3Å; N267-D269 PolarHBondContact OD1-N 3.45Å; N267-D269 VanDerWaalsContact OD1-N 3.14Å; N267-R270 PolarHBondContact ND2-NH2 3Å
268Q98.4Very high96.1Very high53 Ų5315.2 Ų15.225%0.2488%0.08CC..  trans-92.7-8.7-179.5-67.9176.7-38.500113.6Y110 R216 R270 D302 I305Y110-Q268 HydrophobicContact CG-CB 4.22Å; R216-Q268 WeakPolarHBondContact CD-O 3.3Å; R216-Q268 PolarHBondContact NE-O 3.18Å; Q268-R270 PolarHBondContact O-N 3.38Å; Q268-D302 PolarHBondContact NE2-OD2 3.01Å; Q268-I305 HydrophobicContact CG-CD1 3.86Å; Q268-I305 HydrophobicContact CG-CG1 4.25Å
269D97.8Very high95.4Very high25 Ų2517 Ų1713%0.13410%0.099CC..  trans-96.523.3-165.1-156.238.2000114.1Y218 N267 H271 R293Y218-D269 VanDerWaalsContact CE1-OD1 3.22Å; Y218-D269 WeakPolarHBondContact CE1-OD1 3.23Å; Y218-D269 VanDerWaalsContact CZ-OD1 3.31Å; Y218-D269 PolarHBondContact OH-OD1 2.65Å; N267-D269 PolarHBondContact OD1-N 3.45Å; N267-D269 VanDerWaalsContact OD1-N 3.14Å; D269-H271 VanDerWaalsContact C-N 3.26Å; D269-H271 PolarHBondContact O-CD2 3.31Å; D269-H271 PolarHBondContact O-N 2.85Å; D269-H271 IonicContact OD1-CD2 3.99Å; D269-R293 HydrophobicContact CB-CB 4.19Å; D269-R293 IonicContact OD1-NH1 3.34Å; D269-R293 PolarHBondContact OD1-NH1 2.64Å; D269-R293 VanDerWaalsContact OD2-CD 3.29Å; D269-R293 WeakPolarHBondContact OD2-CD 3.4Å; D269-R293 IonicContact OD2-CZ 3.76Å; D269-R293 IonicContact OD2-NE 3.96Å; D269-R293 IonicContact OD2-NH1 2.79Å; D269-R293 PolarHBondContact OD2-NH1 2.95Å
270R97.9Very high94.6Very high27 Ų2724.9 Ų24.910%0.10214%0.141CC..  trans-76.570.2-179.7-168.66365.1-163.7-1.7112.9S212 L258 D262 N267 Q268 H272 V289 N291S212-R270 VanDerWaalsContact CB-O 3.32Å; S212-R270 WeakPolarHBondContact CB-O 3.4Å; S212-R270 PolarHBondContact OG-O 2.72Å; L258-R270 HydrophobicContact CD2-CG 4.08Å; L258-R270 HydrophobicContact CG-CG 4.32Å; D262-R270 IonicContact OD1-CZ 2.71Å; D262-R270 IonicContact OD1-NE 3.24Å; D262-R270 PolarHBondContact OD1-NE 2.67Å; D262-R270 IonicContact OD1-NH2 3Å; D262-R270 PolarHBondContact OD1-NH2 2Å; D262-R270 VanDerWaalsContact OD2-CB 3.25Å; D262-R270 WeakPolarHBondContact OD2-CB 3.34Å; D262-R270 VanDerWaalsContact OD2-CG 3.26Å; D262-R270 WeakPolarHBondContact OD2-CG 3.18Å; D262-R270 IonicContact OD2-CZ 3.52Å; D262-R270 IonicContact OD2-NE 3.39Å; D262-R270 PolarHBondContact OD2-NE 3.47Å; D262-R270 IonicContact OD2-NH2 3.62Å; N267-R270 PolarHBondContact ND2-NH2 3Å; Q268-R270 PolarHBondContact O-N 3.38Å; R270-H272 VanDerWaalsContact CD-O 3.29Å; R270-H272 WeakPolarHBondContact CD-O 3.36Å; R270-V289 PolarHBondContact NH1-O 3.42Å; R270-V289 PolarHBondContact NH2-O 3.38Å; R270-N291 PolarHBondContact NH2-OD1 2.9Å
271H96.6Very high93.9Very high45 Ų4526.2 Ų26.221%0.20815%0.148CC..  trans-87-19.3-17955.378.3000114.8S212 R215 Y218 D269S212-H271 PolarHBondContact N-O 2.94Å; R215-H271 HydrophobicContact CG-CB 3.82Å; Y218-H271 HydrophobicContact CE2-CB 3.73Å; Y218-H271 AromaticContact CZ-CD2 3.72Å; Y218-H271 AromaticContact CZ-CG 3.98Å; Y218-H271 WeakPolarHBondContact OH-CB 3.49Å; Y218-H271 PolarHBondContact OH-CD2 3.05Å; D269-H271 VanDerWaalsContact C-N 3.26Å; D269-H271 PolarHBondContact O-CD2 3.31Å; D269-H271 PolarHBondContact O-N 2.85Å; D269-H271 IonicContact OD1-CD2 3.99Å
272H95.9Very high93.1Very high45 Ų4534.3 Ų34.321%0.20819%0.186CC..EExtended strand (participates in β ladder)trans-128.2160.4172.7-60.3120.7000111.2R209 V210 R270R209-H272 HydrophobicContact CG-CB 3.92Å; V210-H272 CarbonylContact O-C 3.51Å; V210-H272 WeakPolarHBondContact O-CA 3.44Å; R270-H272 VanDerWaalsContact CD-O 3.29Å; R270-H272 WeakPolarHBondContact CD-O 3.36Å
273M95.5Very high92.4Very high8 Ų835.9 Ų35.94%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-116.9123.2162.1-62.4176.671.300107.4V210 F246 D254 L255 L258 A286V210-M273 PolarHBondContact N-O 2.82Å; V210-M273 PolarHBondContact O-N 3.15Å; F246-M273 HydrophobicContact CE1-SD 3.98Å; F246-M273 HydrophobicContact CZ-SD 4.26Å; D254-M273 HydrophobicContact CB-CE 4.48Å; L255-M273 HydrophobicContact CB-CE 3.89Å; L255-M273 HydrophobicContact CB-SD 4Å; L255-M273 HydrophobicContact CD1-CE 4.46Å; L255-M273 HydrophobicContact CD1-SD 3.75Å; L255-M273 HydrophobicContact CG-SD 4.41Å; L258-M273 HydrophobicContact CD2-CE 4.3Å; L258-M273 HydrophobicContact CD2-CG 4.08Å; M273-A286 HydrophobicContact CE-CB 3.76Å
274D94Very high92Very high5 Ų537.9 Ų37.93%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-100.6149177.8-72.5-60.8000110F207 R209 A286 V287 V289F207-D274 HydrophobicContact CB-CB 3.96Å; F207-D274 HydrophobicContact CD1-CB 4.05Å; F207-D274 HydrophobicContact CG-CB 3.98Å; R209-D274 WeakPolarHBondContact CB-OD1 3.2Å; R209-D274 IonicContact CZ-OD1 3.77Å; R209-D274 IonicContact CZ-OD2 2.77Å; R209-D274 IonicContact NE-OD1 3.83Å; R209-D274 PolarHBondContact NE-OD1 3.07Å; R209-D274 IonicContact NE-OD2 3.9Å; R209-D274 PolarHBondContact NE-OD2 3.34Å; R209-D274 IonicContact NH2-OD1 3.33Å; R209-D274 PolarHBondContact NH2-OD1 2.84Å; R209-D274 IonicContact NH2-OD2 3.79Å; R209-D274 PolarHBondContact NH2-OD2 3.37Å; D274-A286 CarbonylContact O-C 3.53Å; D274-A286 WeakPolarHBondContact O-CA 3.3Å; D274-V287 PolarHBondContact O-N 3.41Å; D274-V289 HydrophobicContact CB-CG2 3.95Å
275S92.9Very high91.7Very high12 Ų1238.2 Ų38.28%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-146.2146.8175-750000109.6F207 R208 Y284 S285F207-S275 CarbonylContact C-O 3.56Å; F207-S275 VanDerWaalsContact CA-O 3.24Å; F207-S275 WeakPolarHBondContact CA-O 3.2Å; R208-S275 PolarHBondContact N-O 3.01Å; R208-S275 PolarHBondContact O-N 3.13Å; R208-S275 VanDerWaalsContact O-N 3.13Å; S275-Y284 VanDerWaalsContact OG-CD2 3.3Å; S275-Y284 WeakPolarHBondContact OG-CD2 3.42Å; S275-Y284 WeakPolarHBondContact OG-CE2 3.41Å; S275-S285 WeakPolarHBondContact CB-O 3.45Å; S275-S285 PolarHBondContact OG-O 3.16Å
276F91.1Very high91.5Very high4 Ų438.3 Ų38.32%0.01821%0.205CC..  trans-67.1149.7169.9-64.6-61.5000111F21 I43 I48 I136 I200 H204 T205 F207 F278 V287F21-F276 HydrophobicContact CE1-CB 4.11Å; F21-F276 HydrophobicContact CE1-CG 4.39Å; F21-F276 HydrophobicContact CZ-CB 3.8Å; F21-F276 AromaticContact CZ-CD1 3.86Å; F21-F276 HydrophobicContact CZ-CD1 3.86Å; F21-F276 AromaticContact CZ-CD2 3.88Å; F21-F276 HydrophobicContact CZ-CD2 3.88Å; F21-F276 HydrophobicContact CZ-CE1 4.36Å; F21-F276 HydrophobicContact CZ-CE2 4.37Å; F21-F276 AromaticContact CZ-CG 3.6Å; F21-F276 HydrophobicContact CZ-CG 3.6Å; I43-F276 HydrophobicContact CG2-CD2 4Å; I43-F276 HydrophobicContact CG2-CE2 3.82Å; I48-F276 HydrophobicContact CD1-CE2 3.83Å; I48-F276 HydrophobicContact CD1-CZ 4.46Å; I48-F276 HydrophobicContact CG1-CE2 4.01Å; I136-F276 HydrophobicContact CD1-CE2 4.24Å; I136-F276 HydrophobicContact CD1-CZ 3.6Å; I200-F276 HydrophobicContact CB-CE1 3.92Å; I200-F276 HydrophobicContact CB-CZ 4.22Å; I200-F276 HydrophobicContact CG1-CE1 4.24Å; I200-F276 HydrophobicContact CG1-CZ 4.01Å; I200-F276 HydrophobicContact CG2-CE1 3.71Å; I200-F276 HydrophobicContact CG2-CZ 4.13Å; H204-F276 WeakPolarHBondContact O-CD1 3.25Å; T205-F276 HydrophobicContact CG2-CE1 4.49Å; F207-F276 AromaticContact CD1-CD1 3.92Å; F207-F276 HydrophobicContact CD1-CD1 3.92Å; F207-F276 HydrophobicContact CD1-CE1 4.15Å; F207-F276 AromaticContact CE1-CD1 3.5Å; F207-F276 HydrophobicContact CE1-CD1 3.5Å; F207-F276 AromaticContact CE1-CE1 3.27Å; F207-F276 HydrophobicContact CE1-CE1 3.27Å; F207-F276 HydrophobicContact CE1-CG 4.29Å; F207-F276 AromaticContact CE1-CZ 3.9Å; F207-F276 HydrophobicContact CE1-CZ 3.9Å; F207-F276 HydrophobicContact CZ-CD1 4.35Å; F207-F276 AromaticContact CZ-CE1 3.77Å; F207-F276 HydrophobicContact CZ-CE1 3.77Å; F207-F276 HydrophobicContact CZ-CZ 4.39Å; F276-F278 HydrophobicContact CB-CD2 4.11Å; F276-F278 HydrophobicContact CB-CE2 3.58Å; F276-F278 HydrophobicContact CB-CZ 4.3Å; F276-V287 HydrophobicContact CD2-CG2 3.59Å; F276-V287 HydrophobicContact CE2-CG2 3.64Å; F276-V287 HydrophobicContact CG-CG2 4.15Å; F276-V287 HydrophobicContact CZ-CG2 4.24Å
277D85.1Confident91.4Very high54 Ų5437.4 Ų37.429%0.28920%0.195SC..  trans-86.2122.2172.1-159-25.7000110R208 G279R208-D277 HydrophobicContact CG-CB 4.24Å; R208-D277 IonicContact CZ-OD1 3.07Å; R208-D277 VanDerWaalsContact CZ-OD1 3.25Å; R208-D277 IonicContact CZ-OD2 3.66Å; R208-D277 IonicContact NE-OD1 2.64Å; R208-D277 PolarHBondContact NE-OD1 3.3Å; R208-D277 IonicContact NE-OD2 2.85Å; R208-D277 PolarHBondContact NE-OD2 3.06Å; R208-D277 IonicContact NH2-OD1 3.74Å; R208-D277 PolarHBondContact NH2-OD1 2.84Å; R208-D277 IonicContact NH2-OD2 3.05Å; R208-D277 PolarHBondContact NH2-OD2 2.96Å; R208-D277 VanDerWaalsContact NH2-OD2 3.1Å; D277-G279 WeakPolarHBondContact OD1-CA 3.01Å; D277-G279 PolarHBondContact OD1-N 3.03Å
278F86Confident91.3Very high10 Ų1037.4 Ų37.44%0.04420%0.195CC..  trans-113.827.2175.3-73.4-89.4000111.2L19 F21 S44 N45 F276 D280 V281L19-F278 HydrophobicContact CD2-CD1 4.37Å; L19-F278 WeakPolarHBondContact O-CE1 3.38Å; F21-F278 HydrophobicContact CD1-CD1 4.09Å; F21-F278 AromaticContact CD1-CE1 3.36Å; F21-F278 HydrophobicContact CD1-CE1 3.36Å; F21-F278 AromaticContact CD1-CZ 3.73Å; F21-F278 HydrophobicContact CD1-CZ 3.73Å; F21-F278 HydrophobicContact CE1-CD1 4.04Å; F21-F278 AromaticContact CE1-CE1 3.31Å; F21-F278 HydrophobicContact CE1-CE1 3.31Å; F21-F278 AromaticContact CE1-CE2 3.87Å; F21-F278 HydrophobicContact CE1-CE2 3.87Å; F21-F278 AromaticContact CE1-CZ 3.19Å; F21-F278 HydrophobicContact CE1-CZ 3.19Å; F21-F278 HydrophobicContact CZ-CE1 4.39Å; F21-F278 HydrophobicContact CZ-CE2 4.48Å; F21-F278 AromaticContact CZ-CZ 3.91Å; F21-F278 HydrophobicContact CZ-CZ 3.91Å; S44-F278 WeakPolarHBondContact O-CZ 3.49Å; N45-F278 VanDerWaalsContact CA-CZ 3.48Å; N45-F278 HydrophobicContact CB-CB 4.49Å; N45-F278 HydrophobicContact CB-CD1 4.05Å; N45-F278 HydrophobicContact CB-CD2 3.71Å; N45-F278 HydrophobicContact CB-CE1 4.16Å; N45-F278 HydrophobicContact CB-CE2 3.82Å; N45-F278 HydrophobicContact CB-CG 3.84Å; N45-F278 HydrophobicContact CB-CZ 4.07Å; F276-F278 HydrophobicContact CB-CD2 4.11Å; F276-F278 HydrophobicContact CB-CE2 3.58Å; F276-F278 HydrophobicContact CB-CZ 4.3Å; F278-D280 PolarHBondContact O-N 3.46Å; F278-V281 HydrophobicContact CB-CB 3.85Å; F278-V281 HydrophobicContact CB-CG2 3.95Å; F278-V281 WeakPolarHBondContact O-CG2 3.48Å; F278-V281 PolarHBondContact O-N 3.5Å
279G82.6Confident91.2Very high39 Ų3935.2 Ų35.240%0.40219%0.185SC..THydrogen-bonded Turntrans66.6-117.5179.600000112.1R208 D277 V281R208-G279 PolarHBondContact NH2-O 3.36Å; R208-G279 VanDerWaalsContact NH2-O 3.08Å; D277-G279 WeakPolarHBondContact OD1-CA 3.01Å; D277-G279 PolarHBondContact OD1-N 3.03Å; G279-V281 VanDerWaalsContact C-N 3.27Å; G279-V281 PolarHBondContact O-N 3.45Å
280D82Confident91Very high170 Ų17037 Ų3791%0.90920%0.195SC*.THydrogen-bonded Turntrans-81.80.2-175.3-64.1-34.9000114F278 E282F278-D280 PolarHBondContact O-N 3.46Å; D280-E282 PolarHBondContact O-N 2.88Å; D280-E282 VanDerWaalsContact O-N 3.07Å
281V84.3Confident91Very high27 Ų2735.9 Ų35.916%0.16419%0.191CC..  trans-66.6111.8176177.50000110L19 N45 F278 G279 E283L19-V281 HydrophobicContact CB-CG2 4.43Å; L19-V281 HydrophobicContact CD2-CG2 3.48Å; L19-V281 VanDerWaalsContact CD2-CG2 3.48Å; N45-V281 HydrophobicContact CB-CG1 4.28Å; F278-V281 HydrophobicContact CB-CB 3.85Å; F278-V281 HydrophobicContact CB-CG2 3.95Å; F278-V281 WeakPolarHBondContact O-CG2 3.48Å; F278-V281 PolarHBondContact O-N 3.5Å; G279-V281 VanDerWaalsContact C-N 3.27Å; G279-V281 PolarHBondContact O-N 3.45Å; V281-E283 VanDerWaalsContact CG1-O 3.23Å; V281-E283 WeakPolarHBondContact CG1-O 2.89Å; V281-E283 PolarHBondContact O-N 3.1Å
282E81.4Confident91Very high170 Ų17033.8 Ų33.879%0.79418%0.181SC*.SBendtrans-60.8-27.7179.7-69.1-166.6159.600113.3D280D280-E282 PolarHBondContact O-N 2.88Å; D280-E282 VanDerWaalsContact O-N 3.07Å
283E85.3Confident91.1Very high36 Ų3632.4 Ų32.417%0.16817%0.174CC..  trans-133.2119.4-175.8-73.3-163.8165.700114.9N45 G249 R250 V281 R387N45-E283 PolarHBondContact ND2-O 2.83Å; G249-E283 WeakPolarHBondContact CA-OE1 3.4Å; R250-E283 HydrophobicContact CG-CB 4.48Å; R250-E283 HydrophobicContact CG-CG 4.42Å; R250-E283 PolarHBondContact N-OE1 2.83Å; V281-E283 VanDerWaalsContact CG1-O 3.23Å; V281-E283 WeakPolarHBondContact CG1-O 2.89Å; V281-E283 PolarHBondContact O-N 3.1Å; E283-R387 VanDerWaalsContact CD-CZ 3.5Å; E283-R387 IonicContact OE1-CZ 2.82Å; E283-R387 VanDerWaalsContact OE1-CZ 3.3Å; E283-R387 IonicContact OE1-NH1 3.47Å; E283-R387 IonicContact OE1-NH2 3.22Å; E283-R387 PolarHBondContact OE1-NH2 3.25Å; E283-R387 IonicContact OE2-CZ 2.85Å; E283-R387 IonicContact OE2-NH1 2.71Å; E283-R387 PolarHBondContact OE2-NH1 3.21Å; E283-R387 IonicContact OE2-NH2 2.95Å; E283-R387 PolarHBondContact OE2-NH2 3.17Å
284Y90Very high91.3Very high44 Ų4432 Ų3217%0.17317%0.172CC..  trans-133.6156.317646.8-97.7000108.6N45 R208 S275N45-Y284 CarbonylContact O-C 3.51Å; N45-Y284 VanDerWaalsContact O-CA 3.27Å; N45-Y284 WeakPolarHBondContact O-CA 3.17Å; R208-Y284 WeakPolarHBondContact CD-OH 3.33Å; S275-Y284 VanDerWaalsContact OG-CD2 3.3Å; S275-Y284 WeakPolarHBondContact OG-CD2 3.42Å; S275-Y284 WeakPolarHBondContact OG-CE2 3.41Å
285S93.5Very high91.5Very high6 Ų632 Ų324%0.04217%0.172CC..PPolyproline II helixtrans-79.7155.7-18076.50000112.4N45 C46 R250 S275N45-S285 PolarHBondContact O-N 2.82Å; C46-S285 WeakPolarHBondContact O-CB 3.16Å; C46-S285 PolarHBondContact O-OG 3.08Å; R250-S285 VanDerWaalsContact NH2-CB 3.32Å; S275-S285 WeakPolarHBondContact CB-O 3.45Å; S275-S285 PolarHBondContact OG-O 3.16Å
286A94.7Very high91.7Very high3 Ų331.7 Ų31.73%0.02517%0.171CC..PPolyproline II helixtrans-73.3135.4166.600000109.9R134 D254 M273 D274 H288R134-A286 WeakPolarHBondContact CD-O 3.26Å; D254-A286 HydrophobicContact CB-CB 4.1Å; M273-A286 HydrophobicContact CE-CB 3.76Å; D274-A286 CarbonylContact O-C 3.53Å; D274-A286 WeakPolarHBondContact O-CA 3.3Å; A286-H288 PolarHBondContact O-CD2 3.27Å
287V95.8Very high92.1Very high2 Ų234.2 Ų34.21%0.01218%0.18CC..BIsolated β-bridgetrans-86.6128.3174.7175.50000108.5I48 I136 F207 D274 F276 V289I48-V287 HydrophobicContact CD1-CB 4.48Å; I48-V287 HydrophobicContact CD1-CG1 3.9Å; I48-V287 HydrophobicContact CD1-CG2 4.17Å; I136-V287 HydrophobicContact CD1-CG1 3.88Å; I136-V287 HydrophobicContact CG1-CG1 3.88Å; F207-V287 HydrophobicContact CD1-CG2 4.49Å; F207-V287 HydrophobicContact CE1-CB 4.26Å; F207-V287 HydrophobicContact CE1-CG1 4.05Å; F207-V287 HydrophobicContact CE1-CG2 4.12Å; D274-V287 PolarHBondContact O-N 3.41Å; F276-V287 HydrophobicContact CD2-CG2 3.59Å; F276-V287 HydrophobicContact CE2-CG2 3.64Å; F276-V287 HydrophobicContact CG-CG2 4.15Å; F276-V287 HydrophobicContact CZ-CG2 4.24Å; V287-V289 HydrophobicContact CG1-CB 4.47Å; V287-V289 HydrophobicContact CG1-CG1 3.56Å; V287-V289 HydrophobicContact CG1-CG2 4.33Å; V287-V289 PolarHBondContact O-N 3.07Å
288H97.4Very high92.7Very high0 Ų032.3 Ų32.30%017%0.171CC..BIsolated β-bridgetrans-90.375.8-175.7-59.8-179.5000110.5D127 Y132 R134 A135 L258 L261 A286 N291D127-H288 IonicContact OD2-CE1 3.77Å; D127-H288 PolarHBondContact OD2-CE1 3.34Å; D127-H288 IonicContact OD2-CG 2.61Å; D127-H288 IonicContact OD2-ND1 2.81Å; D127-H288 PolarHBondContact OD2-ND1 3.01Å; Y132-H288 AromaticContact CD2-CE1 3.61Å; Y132-H288 AromaticContact CG-CE1 3.99Å; R134-H288 PolarHBondContact NE-CE1 2.76Å; R134-H288 PolarHBondContact NE-NE2 3.44Å; R134-H288 PolarHBondContact NH2-CE1 3.4Å; R134-H288 PolarHBondContact O-N 3.32Å; A135-H288 HydrophobicContact CB-CB 4.23Å; L258-H288 HydrophobicContact CD1-CB 4.21Å; L261-H288 HydrophobicContact CD2-CB 3.94Å; L261-H288 WeakPolarHBondContact CD2-ND1 3.1Å; A286-H288 PolarHBondContact O-CD2 3.27Å; H288-N291 PolarHBondContact O-ND2 3.23Å
289V95.2Very high93.3Very high8 Ų836.8 Ų36.85%0.04820%0.196CC..  trans-104.6-176.5-178.5-79.20000112.6I136 R270 D274 V287 N291I136-V289 HydrophobicContact CB-CG1 4.46Å; I136-V289 HydrophobicContact CG1-CG1 3.52Å; R270-V289 PolarHBondContact NH1-O 3.42Å; R270-V289 PolarHBondContact NH2-O 3.38Å; D274-V289 HydrophobicContact CB-CG2 3.95Å; V287-V289 HydrophobicContact CG1-CB 4.47Å; V287-V289 HydrophobicContact CG1-CG1 3.56Å; V287-V289 HydrophobicContact CG1-CG2 4.33Å; V287-V289 PolarHBondContact O-N 3.07Å; V289-N291 PolarHBondContact O-N 2.82Å; V289-N291 PolarHBondContact O-OD1 3.27Å
290D94.3Very high94.1Very high63 Ų6339.5 Ų39.534%0.33720%0.197SC..  trans51.954174.2-67.7-20.6000113.3
291N97.8Very high94.8Very high2 Ų232.4 Ų32.41%0.01116%0.159CC..  trans-102.48.4-176.1-48-68000112.9S119 E120 A123 M265 R270 H288 V289 R293 G294S119-N291 WeakPolarHBondContact CB-O 3.37Å; S119-N291 PolarHBondContact OG-O 3.47Å; E120-N291 PolarHBondContact OE1-N 2.98Å; E120-N291 WeakPolarHBondContact OE2-CA 3.36Å; E120-N291 WeakPolarHBondContact OE2-CB 3.38Å; E120-N291 PolarHBondContact OE2-N 3.02Å; A123-N291 HydrophobicContact CB-CB 3.33Å; M265-N291 HydrophobicContact CE-CB 3.95Å; M265-N291 WeakPolarHBondContact CE-OD1 3.31Å; M265-N291 HydrophobicContact SD-CB 4.31Å; R270-N291 PolarHBondContact NH2-OD1 2.9Å; H288-N291 PolarHBondContact O-ND2 3.23Å; V289-N291 PolarHBondContact O-N 2.82Å; V289-N291 PolarHBondContact O-OD1 3.27Å; N291-R293 PolarHBondContact O-N 2.89Å; N291-G294 PolarHBondContact O-N 3.22Å
292G97.4Very high95.5Very high1 Ų132 Ų321%0.0116%0.155CC..THydrogen-bonded Turntrans-59.9-16.8-179.600000114.6E115 R116 E120E115-G292 CarbonylContact C-O 3.32Å; E115-G292 WeakPolarHBondContact CA-O 3.41Å; R116-G292 PolarHBondContact N-O 3.42Å; E120-G292 WeakPolarHBondContact OE1-CA 3.48Å; E120-G292 PolarHBondContact OE1-N 2.93Å
293R97.5Very high96.3Very high17 Ų1729.2 Ų29.26%0.06414%0.141CC..THydrogen-bonded Turntrans-101.912.8176.4-72175.3170.7172.6-2.2114.6Y110 F111 D113 E115 R116 D269 N291Y110-R293 WeakPolarHBondContact O-CD 3.27Å; Y110-R293 PolarHBondContact O-NE 3.14Å; Y110-R293 PolarHBondContact O-NH1 3.35Å; F111-R293 PolarHBondContact O-NH2 3.04Å; D113-R293 PolarHBondContact O-NE 2.71Å; D113-R293 PolarHBondContact O-NH2 2.76Å; E115-R293 HydrophobicContact CG-CG 4.4Å; R116-R293 VanDerWaalsContact NH2-CA 3.32Å; R116-R293 PolarHBondContact NH2-O 2.91Å; D269-R293 HydrophobicContact CB-CB 4.19Å; D269-R293 IonicContact OD1-NH1 3.34Å; D269-R293 PolarHBondContact OD1-NH1 2.64Å; D269-R293 VanDerWaalsContact OD2-CD 3.29Å; D269-R293 WeakPolarHBondContact OD2-CD 3.4Å; D269-R293 IonicContact OD2-CZ 3.76Å; D269-R293 IonicContact OD2-NE 3.96Å; D269-R293 IonicContact OD2-NH1 2.79Å; D269-R293 PolarHBondContact OD2-NH1 2.95Å; N291-R293 PolarHBondContact O-N 2.89Å
294G98.3Very high97Very high0 Ų029.7 Ų29.70%015%0.145CC..SBendtrans-74.4171.616400000112.4R116 S119 N291 G296R116-G294 VanDerWaalsContact CZ-O 3.28Å; R116-G294 PolarHBondContact NE-O 3.13Å; R116-G294 PolarHBondContact NH2-O 3.25Å; S119-G294 WeakPolarHBondContact OG-CA 3.43Å; S119-G294 PolarHBondContact OG-N 3Å; S119-G294 PolarHBondContact OG-O 3.36Å; S119-G294 VanDerWaalsContact OG-O 3.12Å; N291-G294 PolarHBondContact O-N 3.22Å; G294-G296 PolarHBondContact O-N 2.96Å
295F98.6Very high97.4Very high4 Ų428.4 Ų28.42%0.01814%0.14CC..SBendtrans49.732.2175.1-56.5-75.7000115.1A122 L126 M265 L350 H354 V358A122-F295 HydrophobicContact CB-CD2 3.9Å; A122-F295 HydrophobicContact CB-CE2 3.4Å; A122-F295 VanDerWaalsContact CB-CE2 3.4Å; A122-F295 HydrophobicContact CB-CZ 4.02Å; L126-F295 HydrophobicContact CD2-CZ 4.26Å; M265-F295 HydrophobicContact CB-CD1 4.31Å; M265-F295 HydrophobicContact CB-CD2 3.98Å; M265-F295 HydrophobicContact CB-CE1 3.92Å; M265-F295 HydrophobicContact CB-CE2 3.55Å; M265-F295 HydrophobicContact CB-CG 4.35Å; M265-F295 HydrophobicContact CB-CZ 3.53Å; M265-F295 WeakPolarHBondContact O-CA 3.32Å; M265-F295 PolarHBondContact O-N 3.21Å; M265-F295 HydrophobicContact SD-CE2 4.47Å; F295-L350 HydrophobicContact CB-CD2 4.05Å; F295-L350 HydrophobicContact CD1-CD1 3.95Å; F295-L350 HydrophobicContact CD1-CD2 4.06Å; F295-L350 HydrophobicContact CD2-CD2 4Å; F295-L350 HydrophobicContact CE1-CD1 3.66Å; F295-L350 HydrophobicContact CE2-CD1 4.29Å; F295-L350 HydrophobicContact CE2-CD2 4.48Å; F295-L350 HydrophobicContact CG-CD1 4.38Å; F295-L350 HydrophobicContact CG-CD2 3.76Å; F295-L350 HydrophobicContact CZ-CD1 3.84Å; F295-H354 HydrophobicContact CD1-CB 3.94Å; F295-H354 PolarHBondContact O-CE1 3.4Å; F295-V358 HydrophobicContact CE1-CG2 3.9Å
296G98.1Very high97.6Very high6 Ų628.1 Ų28.16%0.06214%0.139CC..SBendtrans-80.4-21.9178.300000114E103 A104 G294E103-G296 CarbonylContact C-O 3.52Å; E103-G296 WeakPolarHBondContact CA-O 3.45Å; E103-G296 VanDerWaalsContact OE2-O 3.13Å; A104-G296 WeakPolarHBondContact CB-O 3.3Å; A104-G296 PolarHBondContact N-O 2.04Å; G294-G296 PolarHBondContact O-N 2.96Å
297R98.4Very high97.8Very high56 Ų5629.2 Ų29.221%0.21114%0.144CC..  trans-138.5128.5179.8-64-64.1-67.9-94.8-3.4110.6E103 A104 P106 D299 F300 R361E103-R297 WeakPolarHBondContact OE2-CA 3.03Å; A104-R297 VanDerWaalsContact O-CD 3.3Å; A104-R297 WeakPolarHBondContact O-CD 3.47Å; P106-R297 VanDerWaalsContact CA-NH1 3.31Å; P106-R297 VanDerWaalsContact CG-NH1 3.31Å; R297-D299 IonicContact CZ-OD1 3.28Å; R297-D299 IonicContact CZ-OD2 3.65Å; R297-D299 IonicContact NE-OD1 2.74Å; R297-D299 PolarHBondContact NE-OD1 3.08Å; R297-D299 IonicContact NE-OD2 3.51Å; R297-D299 IonicContact NH2-OD1 3.78Å; R297-D299 PolarHBondContact NH2-OD1 2.87Å; R297-D299 IonicContact NH2-OD2 3.13Å; R297-D299 PolarHBondContact NH2-OD2 2.7Å; R297-F300 HydrophobicContact CB-CB 3.97Å; R297-F300 HydrophobicContact CG-CB 4.42Å; R297-R361 PolarHBondContact O-NH2 3.19Å
298S98.4Very high97.9Very high15 Ų1529.2 Ų29.211%0.10514%0.144CC..SBendtrans-94.9-20171.168.50000113.8E103 K353 A357 R360E103-S298 WeakPolarHBondContact OE1-CB 3.46Å; E103-S298 PolarHBondContact OE1-N 3.33Å; E103-S298 PolarHBondContact OE1-OG 2.88Å; E103-S298 PolarHBondContact OE2-N 3.23Å; S298-K353 WeakPolarHBondContact OG-CD 3.39Å; S298-A357 WeakPolarHBondContact O-CB 3.49Å; S298-R360 PolarHBondContact O-NH1 3.18Å; S298-R360 PolarHBondContact O-NH2 3.32Å
299D98.3Very high98Very high103 Ų10329.2 Ų29.255%0.55114%0.144SC*.SBendtrans-99.8-4.9-174.365.7-33.8000114.1R297R297-D299 IonicContact CZ-OD1 3.28Å; R297-D299 IonicContact CZ-OD2 3.65Å; R297-D299 IonicContact NE-OD1 2.74Å; R297-D299 PolarHBondContact NE-OD1 3.08Å; R297-D299 IonicContact NE-OD2 3.51Å; R297-D299 IonicContact NH2-OD1 3.78Å; R297-D299 PolarHBondContact NH2-OD1 2.87Å; R297-D299 IonicContact NH2-OD2 3.13Å; R297-D299 PolarHBondContact NH2-OD2 2.7Å
300F98.5Very high98.1Very high97 Ų9731.1 Ų31.143%0.42516%0.155SC..  trans-129.4135.5-176.8174.3-110.9000111.5R297 D302 R361R297-F300 HydrophobicContact CB-CB 3.97Å; R297-F300 HydrophobicContact CG-CB 4.42Å; F300-D302 HydrophobicContact CE1-CB 3.69Å; F300-D302 HydrophobicContact CZ-CB 4.02Å; F300-R361 PolarHBondContact O-NH2 2.92Å
301D98.5Very high98.3Very high21 Ų2128.9 Ų28.911%0.11214%0.143CC..  trans-118.4114.4175.4-61.5-25.2000109.1F263 F303 R360 R361F263-D301 HydrophobicContact CE2-CB 4.42Å; F263-D301 HydrophobicContact CZ-CB 4.38Å; D301-F303 HydrophobicContact CB-CE2 4.38Å; D301-F303 WeakPolarHBondContact O-CD2 3.31Å; D301-F303 PolarHBondContact O-N 2.91Å; D301-R360 IonicContact OD1-CZ 3.58Å; D301-R360 IonicContact OD1-NE 3.39Å; D301-R360 IonicContact OD1-NH2 3.76Å; D301-R360 PolarHBondContact OD1-NH2 2.82Å; D301-R360 IonicContact OD2-CZ 3.69Å; D301-R360 IonicContact OD2-NE 3.45Å; D301-R360 PolarHBondContact OD2-NE 3.37Å; D301-R360 IonicContact OD2-NH2 3.71Å; D301-R360 PolarHBondContact OD2-NH2 3.16Å; D301-R361 VanDerWaalsContact OD1-CG 3.29Å; D301-R361 WeakPolarHBondContact OD1-CG 3.17Å; D301-R361 IonicContact OD1-CZ 3.54Å; D301-R361 IonicContact OD1-NE 3.2Å; D301-R361 PolarHBondContact OD1-NE 2.89Å; D301-R361 IonicContact OD1-NH2 2.75Å
302D98.5Very high98.3Very high18 Ų1829.2 Ų29.210%0.09615%0.146CC..  trans-87.697.9178.8-175.56.3000111.3R216 F263 Q268 F300 D304 I305R216-D302 IonicContact CZ-OD2 2.82Å; R216-D302 IonicContact NH1-OD2 3.5Å; R216-D302 IonicContact NH2-OD1 3.57Å; R216-D302 IonicContact NH2-OD2 3.26Å; R216-D302 PolarHBondContact NH2-OD2 3.02Å; F263-D302 WeakPolarHBondContact CD2-O 3.4Å; F263-D302 WeakPolarHBondContact CE2-O 3.35Å; Q268-D302 PolarHBondContact NE2-OD2 3.01Å; F300-D302 HydrophobicContact CE1-CB 3.69Å; F300-D302 HydrophobicContact CZ-CB 4.02Å; D302-D304 PolarHBondContact O-N 2.92Å; D302-D304 VanDerWaalsContact O-N 3.17Å; D302-D304 VanDerWaalsContact OD1-CB 3.29Å; D302-D304 WeakPolarHBondContact OD1-CB 3.13Å; D302-D304 PolarHBondContact OD1-N 3.19Å; D302-I305 HydrophobicContact CB-CD1 3.81Å; D302-I305 HydrophobicContact CB-CG1 4.02Å; D302-I305 WeakPolarHBondContact O-CB 3.49Å; D302-I305 PolarHBondContact O-N 2.8Å; D302-I305 VanDerWaalsContact O-N 3.1Å
303F98.3Very high98.3Very high111 Ų11130.3 Ų30.349%0.48715%0.153SC..THydrogen-bonded Turntrans-62.9-17.3178.7-65.6-88.5000113.7D301 I305 I306 T364D301-F303 HydrophobicContact CB-CE2 4.38Å; D301-F303 WeakPolarHBondContact O-CD2 3.31Å; D301-F303 PolarHBondContact O-N 2.91Å; F303-I305 PolarHBondContact O-N 3.05Å; F303-I306 WeakPolarHBondContact O-CG2 3.29Å; F303-I306 PolarHBondContact O-N 2.95Å; F303-T364 HydrophobicContact CD1-CG2 3.95Å; F303-T364 HydrophobicContact CE1-CG2 3.46Å; F303-T364 VanDerWaalsContact CE1-CG2 3.46Å; F303-T364 HydrophobicContact CZ-CG2 4.48Å
304D98.5Very high98.3Very high47 Ų4729.9 Ų29.925%0.25115%0.152SC..THydrogen-bonded Turntrans-63.5-29.4173.8-79-11.1000111.8R216 W227 Q228 D302 I306 L307R216-D304 IonicContact NH1-OD2 2.82Å; W227-D304 HydrophobicContact CH2-CB 4.16Å; W227-D304 HydrophobicContact CZ3-CB 3.92Å; W227-D304 WeakPolarHBondContact CZ3-O 3.32Å; Q228-D304 PolarHBondContact NE2-OD2 3.45Å; D302-D304 PolarHBondContact O-N 2.92Å; D302-D304 VanDerWaalsContact O-N 3.17Å; D302-D304 VanDerWaalsContact OD1-CB 3.29Å; D302-D304 WeakPolarHBondContact OD1-CB 3.13Å; D302-D304 PolarHBondContact OD1-N 3.19Å; D304-I306 VanDerWaalsContact C-N 3.31Å; D304-I306 PolarHBondContact O-N 3.46Å; D304-L307 HydrophobicContact CB-CD1 4.39Å; D304-L307 WeakPolarHBondContact O-CB 3.47Å; D304-L307 PolarHBondContact O-N 3.2Å
305I98.8Very high98.2Very high16 Ų1629.9 Ų29.98%0.08215%0.152CC..THydrogen-bonded Turntrans-66.6-34.9-177.9-57.1169.7000111.3S259 D262 F263 Q268 D302 F303 P308S259-I305 PolarHBondContact OG-O 3.18Å; D262-I305 HydrophobicContact CB-CG2 3.64Å; F263-I305 HydrophobicContact CB-CB 4.24Å; F263-I305 HydrophobicContact CB-CG2 3.9Å; F263-I305 HydrophobicContact CD2-CB 4.18Å; Q268-I305 HydrophobicContact CG-CD1 3.86Å; Q268-I305 HydrophobicContact CG-CG1 4.25Å; D302-I305 HydrophobicContact CB-CD1 3.81Å; D302-I305 HydrophobicContact CB-CG1 4.02Å; D302-I305 WeakPolarHBondContact O-CB 3.49Å; D302-I305 PolarHBondContact O-N 2.8Å; D302-I305 VanDerWaalsContact O-N 3.1Å; F303-I305 PolarHBondContact O-N 3.05Å; I305-P308 WeakPolarHBondContact O-CD 3.07Å
306I98.4Very high98.1Very high1 Ų129.8 Ų29.81%0.00515%0.152CC..THydrogen-bonded Turntrans-91.41.3-177.5-157.656.6000113.2V260 F263 F303 D304 P308 L309 V310 V365V260-I306 HydrophobicContact CG2-CD1 3.84Å; F263-I306 HydrophobicContact CB-CB 4.14Å; F263-I306 HydrophobicContact CB-CD1 4.2Å; F263-I306 HydrophobicContact CD1-CB 4.34Å; F263-I306 HydrophobicContact CD1-CG1 4.48Å; F263-I306 HydrophobicContact CD2-CB 3.98Å; F263-I306 HydrophobicContact CD2-CG2 4.25Å; F263-I306 HydrophobicContact CE2-CB 4.5Å; F263-I306 HydrophobicContact CE2-CG2 4.3Å; F263-I306 HydrophobicContact CG-CB 3.89Å; F263-I306 HydrophobicContact CG-CG1 4.41Å; F303-I306 WeakPolarHBondContact O-CG2 3.29Å; F303-I306 PolarHBondContact O-N 2.95Å; D304-I306 VanDerWaalsContact C-N 3.31Å; D304-I306 PolarHBondContact O-N 3.46Å; I306-P308 VanDerWaalsContact C-N 3.28Å; I306-L309 HydrophobicContact CD1-CB 3.99Å; I306-L309 HydrophobicContact CD1-CD2 4.12Å; I306-L309 HydrophobicContact CG1-CB 4.09Å; I306-L309 HydrophobicContact CG1-CD2 4.14Å; I306-L309 WeakPolarHBondContact O-CB 3.24Å; I306-L309 PolarHBondContact O-N 2.98Å; I306-V310 HydrophobicContact CG2-CG2 4.33Å; I306-V310 PolarHBondContact O-N 3.25Å; I306-V365 HydrophobicContact CD1-CG2 4.16Å; I306-V365 HydrophobicContact CG1-CG2 4.34Å
307L98.6Very high97.9Very high25 Ų2529.6 Ų29.613%0.13115%0.149CC..Hα-helixtrans-53.1-32.9176.5-77.2-180000115.1Y214 W227 D304 L309 V310 Q311Y214-L307 HydrophobicContact CE1-CB 4.34Å; W227-L307 HydrophobicContact CE3-CB 4.5Å; W227-L307 HydrophobicContact CE3-CD1 3.81Å; W227-L307 HydrophobicContact CZ3-CD1 3.83Å; D304-L307 HydrophobicContact CB-CD1 4.39Å; D304-L307 WeakPolarHBondContact O-CB 3.47Å; D304-L307 PolarHBondContact O-N 3.2Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.09Å; L307-V310 HydrophobicContact CD2-CB 4.32Å; L307-V310 HydrophobicContact CD2-CG1 4.5Å; L307-V310 PolarHBondContact O-N 3.08Å; L307-Q311 VanDerWaalsContact O-CB 3.32Å; L307-Q311 WeakPolarHBondContact O-CB 3.46Å; L307-Q311 VanDerWaalsContact O-CG 3.29Å; L307-Q311 WeakPolarHBondContact O-CG 3.21Å; L307-Q311 PolarHBondContact O-N 3.22Å
308P98.5Very high97.7Very high3 Ų329.2 Ų29.22%0.01916%0.155CC..Hα-helixtrans-52-45.3170.5-2835.4000113.4Y214 I256 S259 I305 I306 C312Y214-P308 HydrophobicContact CD1-CG 3.75Å; Y214-P308 HydrophobicContact CD2-CB 4.32Å; Y214-P308 HydrophobicContact CD2-CG 3.73Å; Y214-P308 HydrophobicContact CE1-CB 4.39Å; Y214-P308 HydrophobicContact CE1-CG 3.82Å; Y214-P308 HydrophobicContact CE2-CB 3.93Å; Y214-P308 HydrophobicContact CE2-CG 3.79Å; Y214-P308 HydrophobicContact CG-CG 3.71Å; I256-P308 HydrophobicContact CD1-CB 3.52Å; I256-P308 VanDerWaalsContact CD1-O 3.25Å; I256-P308 WeakPolarHBondContact CD1-O 3.33Å; S259-P308 WeakPolarHBondContact OG-CD 3.48Å; S259-P308 WeakPolarHBondContact OG-CG 3.45Å; I305-P308 WeakPolarHBondContact O-CD 3.07Å; I306-P308 VanDerWaalsContact C-N 3.28Å; P308-C312 WeakPolarHBondContact O-CB 3.08Å; P308-C312 PolarHBondContact O-N 3.28Å; P308-C312 PolarHBondContact O-SG 3.14Å
309L98.3Very high97.6Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-65.7-47.2176.9173.760.2000110.9I256 I306 L307 Q311 C313 M315 V365 E368I256-L309 HydrophobicContact CG2-CB 4.36Å; I256-L309 HydrophobicContact CG2-CD1 4.23Å; I306-L309 HydrophobicContact CD1-CB 3.99Å; I306-L309 HydrophobicContact CD1-CD2 4.12Å; I306-L309 HydrophobicContact CG1-CB 4.09Å; I306-L309 HydrophobicContact CG1-CD2 4.14Å; I306-L309 WeakPolarHBondContact O-CB 3.24Å; I306-L309 PolarHBondContact O-N 2.98Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.09Å; L309-Q311 PolarHBondContact O-N 2.86Å; L309-C313 VanDerWaalsContact O-CA 3.31Å; L309-C313 WeakPolarHBondContact O-CA 3.47Å; L309-C313 PolarHBondContact O-N 2.73Å; L309-M315 HydrophobicContact CD1-CB 4.26Å; L309-M315 HydrophobicContact CD1-CE 3.71Å; L309-M315 HydrophobicContact CD2-CE 3.54Å; L309-M315 HydrophobicContact CG-CE 4.26Å; L309-V365 HydrophobicContact CD2-CG1 3.94Å; L309-E368 HydrophobicContact CD2-CB 4.25Å
310V98Very high97.5Very high47 Ų4723.6 Ų23.629%0.28512%0.124SC..Hα-helixtrans-62.2-42-176.7-179.90000111.9I306 L307 C313 E368I306-V310 HydrophobicContact CG2-CG2 4.33Å; I306-V310 PolarHBondContact O-N 3.25Å; L307-V310 HydrophobicContact CD2-CB 4.32Å; L307-V310 HydrophobicContact CD2-CG1 4.5Å; L307-V310 PolarHBondContact O-N 3.08Å; V310-C313 PolarHBondContact O-SG 3.01Å; V310-E368 HydrophobicContact CG2-CB 4.17Å; V310-E368 HydrophobicContact CG2-CG 3.9Å
311Q98.1Very high97.4Very high17 Ų1722.1 Ų22.18%0.07912%0.115CC..Hα-helixtrans-84.1-38.9-175.1-65.7179.64.200112.6Y214 W227 C234 L307 L309Y214-Q311 PolarHBondContact OH-OE1 3.22Å; W227-Q311 PolarHBondContact O-NE2 3.41Å; C234-Q311 HydrophobicContact CB-CB 3.67Å; L307-Q311 VanDerWaalsContact O-CB 3.32Å; L307-Q311 WeakPolarHBondContact O-CB 3.46Å; L307-Q311 VanDerWaalsContact O-CG 3.29Å; L307-Q311 WeakPolarHBondContact O-CG 3.21Å; L307-Q311 PolarHBondContact O-N 3.22Å; L309-Q311 PolarHBondContact O-N 2.86Å
312C97.9Very high97.2Very high9 Ų922.6 Ų22.66%0.06112%0.119CC..Hα-helixtrans-85-27.5-177.7-53.50000112.8C234 L252 I256 P308 V314C234-C312 HydrophobicContact CB-CB 3.99Å; C234-C312 WeakPolarHBondContact CB-SG 3.48Å; C234-C312 WeakPolarHBondContact SG-CA 3.4Å; C234-C312 WeakPolarHBondContact SG-CB 3.43Å; C234-C312 CovalentContact SG-SG 2.01Å; C234-C312 PolarHBondContact SG-SG 3.2Å; L252-C312 HydrophobicContact CD2-CB 4.26Å; I256-C312 HydrophobicContact CD1-CB 4.26Å; P308-C312 WeakPolarHBondContact O-CB 3.08Å; P308-C312 PolarHBondContact O-N 3.28Å; P308-C312 PolarHBondContact O-SG 3.14Å; C312-V314 VanDerWaalsContact C-N 3.25Å; C312-V314 HydrophobicContact CB-CG2 4.07Å; C312-V314 PolarHBondContact O-N 3.07Å
313C97.6Very high97.2Very high24 Ų2421.7 Ų21.716%0.16211%0.114CC..  trans47.145.1-175.3-80.50000114.3L309 V310 C372 V383L309-C313 VanDerWaalsContact O-CA 3.31Å; L309-C313 WeakPolarHBondContact O-CA 3.47Å; L309-C313 PolarHBondContact O-N 2.73Å; V310-C313 PolarHBondContact O-SG 3.01Å; C313-C372 WeakPolarHBondContact CA-SG 3.39Å; C313-C372 HydrophobicContact CB-CB 3.55Å; C313-C372 WeakPolarHBondContact CB-SG 3.22Å; C313-C372 WeakPolarHBondContact SG-CA 3.47Å; C313-C372 WeakPolarHBondContact SG-CB 3.28Å; C313-C372 CovalentContact SG-SG 2.05Å; C313-C372 PolarHBondContact SG-SG 2.76Å; C313-V383 WeakPolarHBondContact O-CG1 3.45Å
314V97.1Very high97.1Very high8 Ų817 Ų175%0.0489%0.094CC..  trans-130.5144.7169.9-63.80000109.8L252 L253 I256 C312 V383 L385 L388L252-V314 HydrophobicContact CD2-CG2 3.87Å; L252-V314 HydrophobicContact CG-CG2 4.23Å; L253-V314 HydrophobicContact CD2-CB 4.2Å; L253-V314 HydrophobicContact CD2-CG2 4.1Å; I256-V314 HydrophobicContact CG1-CG2 4.26Å; C312-V314 VanDerWaalsContact C-N 3.25Å; C312-V314 HydrophobicContact CB-CG2 4.07Å; C312-V314 PolarHBondContact O-N 3.07Å; V314-V383 CarbonylContact C-O 3.56Å; V314-V383 VanDerWaalsContact CA-O 3.25Å; V314-V383 WeakPolarHBondContact CA-O 3.21Å; V314-L385 HydrophobicContact CB-CD1 4.4Å; V314-L385 HydrophobicContact CG1-CD1 3.74Å; V314-L388 HydrophobicContact CG1-CD2 4.45Å
315M97.3Very high97Very high0 Ų018 Ų180%010%0.099CC..BIsolated β-bridgetrans-148.5148.7175.5-177.9179.1-74.300109.8V260 L309 T319 A320 L323 V365 L369 V383 L384 L385V260-M315 HydrophobicContact CG2-CE 4.14Å; L309-M315 HydrophobicContact CD1-CB 4.26Å; L309-M315 HydrophobicContact CD1-CE 3.71Å; L309-M315 HydrophobicContact CD2-CE 3.54Å; L309-M315 HydrophobicContact CG-CE 4.26Å; M315-T319 HydrophobicContact CG-CG2 4.23Å; M315-T319 HydrophobicContact SD-CG2 4.1Å; M315-A320 HydrophobicContact CG-CB 4.47Å; M315-A320 HydrophobicContact SD-CB 3.81Å; M315-L323 HydrophobicContact CE-CD1 4.22Å; M315-L323 HydrophobicContact SD-CD1 4.17Å; M315-V365 HydrophobicContact CE-CG1 3.98Å; M315-L369 HydrophobicContact CB-CD1 4.21Å; M315-L369 HydrophobicContact SD-CD1 4.22Å; M315-L369 HydrophobicContact SD-CD2 3.89Å; M315-V383 PolarHBondContact N-O 3.18Å; M315-L384 HydrophobicContact CB-CD2 4.16Å; M315-L384 VanDerWaalsContact O-CA 3.3Å; M315-L384 WeakPolarHBondContact O-CA 3.31Å; M315-L385 PolarHBondContact O-N 3.08Å; M315-L385 VanDerWaalsContact O-N 3.08Å
316R95.8Very high96.9Very high2 Ų219.8 Ų19.81%0.00811%0.105CC..  trans-69.2134.8174.9-171174.9-77.6110.2-4.8110.5L253 D254 D257 S318 T319 A320L253-R316 PolarHBondContact O-NH1 2.89Å; D254-R316 IonicContact OD1-CZ 3.38Å; D254-R316 IonicContact OD1-NH1 2.7Å; D254-R316 IonicContact OD1-NH2 3.74Å; D254-R316 PolarHBondContact OD1-NH2 3.19Å; D257-R316 IonicContact OD1-NH1 3.38Å; D257-R316 IonicContact OD2-CZ 3.39Å; D257-R316 IonicContact OD2-NH1 3.45Å; D257-R316 PolarHBondContact OD2-NH1 3.19Å; R316-S318 VanDerWaalsContact C-N 3.27Å; R316-S318 WeakPolarHBondContact CD-OG 3.24Å; R316-S318 VanDerWaalsContact CG-OG 3.32Å; R316-S318 WeakPolarHBondContact CG-OG 3.46Å; R316-S318 PolarHBondContact O-N 2.82Å; R316-T319 WeakPolarHBondContact O-CB 3.47Å; R316-T319 PolarHBondContact O-N 2.63Å; R316-T319 VanDerWaalsContact O-N 3.07Å; R316-A320 PolarHBondContact O-N 3.42Å; R316-A320 VanDerWaalsContact O-N 3.07Å
317P94.9Very high96.9Very high2 Ų224.4 Ų24.41%0.01312%0.123CC..Hα-helixtrans-54.7-40178.2-25.129.1000113.6I7 L10 T319 A320 R321 L384 L385I7-P317 HydrophobicContact CG2-CB 3.93Å; I7-P317 WeakPolarHBondContact CG2-O 3.46Å; L10-P317 HydrophobicContact CB-CB 3.94Å; L10-P317 HydrophobicContact CB-CG 3.97Å; L10-P317 HydrophobicContact CD1-CB 4.32Å; L10-P317 HydrophobicContact CD1-CG 4.12Å; P317-T319 VanDerWaalsContact C-N 3.35Å; P317-T319 PolarHBondContact O-N 3.23Å; P317-A320 PolarHBondContact O-N 2.93Å; P317-R321 WeakPolarHBondContact O-CB 3.42Å; P317-R321 PolarHBondContact O-N 3.27Å; P317-L384 HydrophobicContact CG-CB 4.15Å; P317-L385 VanDerWaalsContact CD-O 3.31Å; P317-L385 WeakPolarHBondContact CD-O 3.47Å
318S93.8Very high96.7Very high47 Ų4728.7 Ų28.733%0.32914%0.141SC..Hα-helixtrans-59.7-44.5176.657.40000112R316 R321 T322R316-S318 VanDerWaalsContact C-N 3.27Å; R316-S318 WeakPolarHBondContact CD-OG 3.24Å; R316-S318 VanDerWaalsContact CG-OG 3.32Å; R316-S318 WeakPolarHBondContact CG-OG 3.46Å; R316-S318 PolarHBondContact O-N 2.82Å; S318-R321 WeakPolarHBondContact O-CB 3.21Å; S318-R321 PolarHBondContact O-N 3.28Å; S318-T322 PolarHBondContact O-N 2.9Å; S318-T322 PolarHBondContact O-OG1 2.84Å; S318-T322 VanDerWaalsContact O-OG1 3.12Å
319T96.5Very high96.5Very high1 Ų130.6 Ų30.61%0.00616%0.162CC..Hα-helixtrans-61.2-50.8177.4-530000111.2Y132 D257 M315 R316 P317 R321 T322 L323Y132-T319 HydrophobicContact CE1-CG2 3.95Å; Y132-T319 WeakPolarHBondContact OH-CG2 3.32Å; D257-T319 VanDerWaalsContact CG-OG1 3.26Å; D257-T319 WeakPolarHBondContact OD1-CB 3.23Å; D257-T319 WeakPolarHBondContact OD1-CG2 3.19Å; D257-T319 PolarHBondContact OD1-OG1 3.36Å; D257-T319 PolarHBondContact OD2-OG1 2.81Å; M315-T319 HydrophobicContact CG-CG2 4.23Å; M315-T319 HydrophobicContact SD-CG2 4.1Å; R316-T319 WeakPolarHBondContact O-CB 3.47Å; R316-T319 PolarHBondContact O-N 2.63Å; R316-T319 VanDerWaalsContact O-N 3.07Å; P317-T319 VanDerWaalsContact C-N 3.35Å; P317-T319 PolarHBondContact O-N 3.23Å; T319-R321 VanDerWaalsContact C-N 3.29Å; T319-R321 PolarHBondContact O-N 2.82Å; T319-T322 PolarHBondContact O-N 2.84Å; T319-L323 HydrophobicContact CG2-CD1 4Å; T319-L323 HydrophobicContact CG2-CG 4.47Å; T319-L323 WeakPolarHBondContact O-CG 3.22Å; T319-L323 PolarHBondContact O-N 3.36Å
320A96.5Very high96.3Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-57.2-43.5177.200000111.6I7 M315 R316 P317 L323 I324 L369 L384I7-A320 HydrophobicContact CD1-CB 3.94Å; M315-A320 HydrophobicContact CG-CB 4.47Å; M315-A320 HydrophobicContact SD-CB 3.81Å; R316-A320 PolarHBondContact O-N 3.42Å; R316-A320 VanDerWaalsContact O-N 3.07Å; P317-A320 PolarHBondContact O-N 2.93Å; A320-L323 PolarHBondContact O-N 3.11Å; A320-I324 WeakPolarHBondContact O-CB 3.49Å; A320-I324 WeakPolarHBondContact O-CD1 3.18Å; A320-I324 WeakPolarHBondContact O-CG1 3.14Å; A320-I324 PolarHBondContact O-N 2.95Å; A320-L369 HydrophobicContact CB-CD2 3.87Å; A320-L384 HydrophobicContact CB-CD1 4.36Å; A320-L384 HydrophobicContact CB-CD2 3.74Å
321R94.8Very high96.3Very high66 Ų6641.1 Ų41.125%0.24921%0.207CC..Hα-helixtrans-59.9-48.4177.4-167.9179.3172.9-157.7-12.3111.7I7 L8 P317 S318 T319 I324 N325I7-R321 HydrophobicContact CG2-CB 3.8Å; I7-R321 HydrophobicContact CG2-CG 4.3Å; L8-R321 VanDerWaalsContact CD2-NH1 3.31Å; P317-R321 WeakPolarHBondContact O-CB 3.42Å; P317-R321 PolarHBondContact O-N 3.27Å; S318-R321 WeakPolarHBondContact O-CB 3.21Å; S318-R321 PolarHBondContact O-N 3.28Å; T319-R321 VanDerWaalsContact C-N 3.29Å; T319-R321 PolarHBondContact O-N 2.82Å; R321-I324 PolarHBondContact O-N 2.96Å; R321-N325 WeakPolarHBondContact O-CB 3.38Å; R321-N325 VanDerWaalsContact O-CG 3.29Å; R321-N325 PolarHBondContact O-N 3.17Å
322T96.1Very high96.3Very high30 Ų3042.3 Ų42.318%0.18422%0.218CC..Hα-helixtrans-61.5-46-179.4-60.70000111.3S318 T319 N325 Y326S318-T322 PolarHBondContact O-N 2.9Å; S318-T322 PolarHBondContact O-OG1 2.84Å; S318-T322 VanDerWaalsContact O-OG1 3.12Å; T319-T322 PolarHBondContact O-N 2.84Å; T322-N325 WeakPolarHBondContact O-CB 3.3Å; T322-N325 PolarHBondContact O-N 3.47Å; T322-Y326 HydrophobicContact CG2-CD2 3.79Å; T322-Y326 HydrophobicContact CG2-CE2 3.44Å; T322-Y326 VanDerWaalsContact CG2-CE2 3.44Å; T322-Y326 VanDerWaalsContact O-CD2 3.3Å; T322-Y326 WeakPolarHBondContact O-CD2 3.48Å; T322-Y326 PolarHBondContact O-N 2.91Å; T322-Y326 VanDerWaalsContact O-N 3.08Å
323L97.7Very high96.4Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-62.8-45.7178-64.2170.5000111.9L130 V260 L264 M315 T319 A320 N325 Y326 Y327 L362 V365 L366L130-L323 HydrophobicContact CD2-CD2 3.83Å; V260-L323 HydrophobicContact CG1-CD1 4.22Å; V260-L323 HydrophobicContact CG1-CD2 4.36Å; L264-L323 HydrophobicContact CD1-CD2 4.48Å; M315-L323 HydrophobicContact CE-CD1 4.22Å; M315-L323 HydrophobicContact SD-CD1 4.17Å; T319-L323 HydrophobicContact CG2-CD1 4Å; T319-L323 HydrophobicContact CG2-CG 4.47Å; T319-L323 WeakPolarHBondContact O-CG 3.22Å; T319-L323 PolarHBondContact O-N 3.36Å; A320-L323 PolarHBondContact O-N 3.11Å; L323-N325 VanDerWaalsContact C-N 3.28Å; L323-N325 PolarHBondContact O-N 3.31Å; L323-Y326 PolarHBondContact O-N 2.95Å; L323-Y327 PolarHBondContact O-N 2.88Å; L323-L362 HydrophobicContact CD2-CD1 3.79Å; L323-L362 HydrophobicContact CD2-CG 4.04Å; L323-V365 HydrophobicContact CD1-CG1 3.67Å; L323-L366 HydrophobicContact CB-CD2 3.75Å; L323-L366 HydrophobicContact CB-CG 4.33Å
324I96.2Very high96.4Very high13 Ų1340.9 Ų40.97%0.06721%0.208CC..Hα-helixtrans-59.8-40.2176.4-70.7166.9000111L3 H4 I7 A320 R321 Y327 F328 L366L3-I324 HydrophobicContact CD2-CD1 3.82Å; L3-I324 HydrophobicContact CG-CD1 4.22Å; H4-I324 HydrophobicContact CB-CG2 4.15Å; I7-I324 HydrophobicContact CD1-CD1 3.82Å; A320-I324 WeakPolarHBondContact O-CB 3.49Å; A320-I324 WeakPolarHBondContact O-CD1 3.18Å; A320-I324 WeakPolarHBondContact O-CG1 3.14Å; A320-I324 PolarHBondContact O-N 2.95Å; R321-I324 PolarHBondContact O-N 2.96Å; I324-Y327 PolarHBondContact O-N 3.49Å; I324-F328 HydrophobicContact CG2-CD2 3.82Å; I324-F328 HydrophobicContact CG2-CE2 4.31Å; I324-F328 WeakPolarHBondContact O-CD2 3.25Å; I324-F328 PolarHBondContact O-N 2.78Å; I324-L366 HydrophobicContact CG1-CD2 3.81Å
325N95.7Very high96.5Very high67 Ų6742.7 Ų42.736%0.35822%0.216SC..Hα-helixtrans-62.6-42.7177.2-81.7-16.5000112.4H4 R321 T322 L323 Y327 G329H4-N325 PolarHBondContact CE1-OD1 2.71Å; H4-N325 PolarHBondContact ND1-OD1 2.93Å; R321-N325 WeakPolarHBondContact O-CB 3.38Å; R321-N325 VanDerWaalsContact O-CG 3.29Å; R321-N325 PolarHBondContact O-N 3.17Å; T322-N325 WeakPolarHBondContact O-CB 3.3Å; T322-N325 PolarHBondContact O-N 3.47Å; L323-N325 VanDerWaalsContact C-N 3.28Å; L323-N325 PolarHBondContact O-N 3.31Å; N325-Y327 VanDerWaalsContact C-N 3.35Å; N325-G329 WeakPolarHBondContact O-CA 3.45Å; N325-G329 PolarHBondContact O-N 3.35Å
326Y97.9Very high96.6Very high53 Ų5343.4 Ų43.421%0.20822%0.221CC..Hα-helixtrans-72.5-27.7177.9-74.7-52.6000113.5V129 T322 L323 V331 S332 I333 A336V129-Y326 HydrophobicContact CG1-CE1 4.37Å; V129-Y326 HydrophobicContact CG1-CE2 3.69Å; V129-Y326 WeakPolarHBondContact CG1-OH 3.39Å; V129-Y326 VanDerWaalsContact O-CE2 3.3Å; V129-Y326 WeakPolarHBondContact O-CE2 3.47Å; V129-Y326 PolarHBondContact O-OH 2.92Å; T322-Y326 HydrophobicContact CG2-CD2 3.79Å; T322-Y326 HydrophobicContact CG2-CE2 3.44Å; T322-Y326 VanDerWaalsContact CG2-CE2 3.44Å; T322-Y326 VanDerWaalsContact O-CD2 3.3Å; T322-Y326 WeakPolarHBondContact O-CD2 3.48Å; T322-Y326 PolarHBondContact O-N 2.91Å; T322-Y326 VanDerWaalsContact O-N 3.08Å; L323-Y326 PolarHBondContact O-N 2.95Å; Y326-V331 WeakPolarHBondContact CD1-O 3.2Å; Y326-S332 WeakPolarHBondContact O-CA 3.38Å; Y326-I333 HydrophobicContact CD1-CB 4.33Å; Y326-I333 HydrophobicContact CD2-CB 4.12Å; Y326-I333 HydrophobicContact CD2-CD1 4.27Å; Y326-I333 HydrophobicContact CD2-CG1 4.21Å; Y326-I333 HydrophobicContact CG-CB 3.84Å; Y326-I333 HydrophobicContact CG-CG1 4.4Å; Y326-A336 HydrophobicContact CD1-CB 4.19Å; Y326-A336 HydrophobicContact CE1-CB 3.46Å; Y326-A336 VanDerWaalsContact CE1-CB 3.46Å
327Y97.1Very high96.7Very high98 Ų9843.3 Ų43.338%0.38422%0.221SC..Hα-helixtrans-77.9-45.5177.3-170.2-103.2000113.1L323 I324 N325 L362 E363 L366L323-Y327 PolarHBondContact O-N 2.88Å; I324-Y327 PolarHBondContact O-N 3.49Å; N325-Y327 VanDerWaalsContact C-N 3.35Å; Y327-L362 HydrophobicContact CD2-CD2 3.83Å; Y327-L362 HydrophobicContact CG-CD2 4.15Å; Y327-E363 HydrophobicContact CD2-CB 4.31Å; Y327-E363 HydrophobicContact CE2-CB 3.72Å; Y327-E363 HydrophobicContact CE2-CG 3.68Å; Y327-E363 PolarHBondContact OH-OE1 3.25Å; Y327-L366 HydrophobicContact CD1-CD1 4.02Å; Y327-L366 HydrophobicContact CD2-CD1 4.07Å; Y327-L366 HydrophobicContact CG-CD1 3.55Å
328F95.2Very high96.9Very high115 Ų11548.4 Ų48.450%0.50424%0.24SC..Hα-helixtrans-98.6-11.4-175.8-66.8-70000114.3I324I324-F328 HydrophobicContact CG2-CD2 3.82Å; I324-F328 HydrophobicContact CG2-CE2 4.31Å; I324-F328 WeakPolarHBondContact O-CD2 3.25Å; I324-F328 PolarHBondContact O-N 2.78Å
329G93.4Very high97.1Very high44 Ų4453 Ų5345%0.45425%0.25SS..SBendtrans-80.5175.6-177.700000113.5N325 V331N325-G329 WeakPolarHBondContact O-CA 3.45Å; N325-G329 PolarHBondContact O-N 3.35Å; G329-V331 VanDerWaalsContact C-N 3.26Å; G329-V331 PolarHBondContact O-N 2.86Å
330K95.7Very high97.2Very high223 Ų22354 Ų5497%0.9726%0.257SS*.SBendtrans-70.2-21.2-179.7-64.4-176.1178.1-177.40113.9
331V97.6Very high97.3Very high44 Ų4454.3 Ų54.327%0.26726%0.259SS..SBendtrans-119.9117.6-177.2-177.60000107.4Y326 G329 E335 A336Y326-V331 WeakPolarHBondContact CD1-O 3.2Å; G329-V331 VanDerWaalsContact C-N 3.26Å; G329-V331 PolarHBondContact O-N 2.86Å; V331-E335 HydrophobicContact CG1-CB 4.01Å; V331-E335 HydrophobicContact CG1-CG 3.83Å; V331-A336 HydrophobicContact CG1-CB 4.08Å
332S98.2Very high97.4Very high43 Ų4354.8 Ų54.830%0.30127%0.272SS..  trans-70.8161.2175.366.10000111.3Y326 G334 E335 A336 N359Y326-S332 WeakPolarHBondContact O-CA 3.38Å; S332-G334 VanDerWaalsContact C-N 3.28Å; S332-G334 PolarHBondContact O-N 3.47Å; S332-E335 PolarHBondContact O-N 2.87Å; S332-E335 WeakPolarHBondContact OG-CB 3.34Å; S332-E335 PolarHBondContact OG-N 3.45Å; S332-A336 PolarHBondContact O-N 3.46Å; S332-N359 WeakPolarHBondContact CB-OD1 3.35Å
333I98.7Very high97.4Very high2 Ų257.8 Ų57.81%0.0130%0.295CS..Hα-helixtrans-60.8-38.4177.3-174.3164.3000111.8L126 V129 L130 L264 Y326 E335 A336 L337 V358 N359 L362L126-I333 HydrophobicContact CD1-CD1 3.94Å; L126-I333 HydrophobicContact CD1-CG1 4.3Å; V129-I333 HydrophobicContact CG1-CG1 4.03Å; L130-I333 HydrophobicContact CD2-CD1 3.77Å; L130-I333 HydrophobicContact CG-CD1 4.45Å; L264-I333 HydrophobicContact CD1-CD1 4.03Å; Y326-I333 HydrophobicContact CD1-CB 4.33Å; Y326-I333 HydrophobicContact CD2-CB 4.12Å; Y326-I333 HydrophobicContact CD2-CD1 4.27Å; Y326-I333 HydrophobicContact CD2-CG1 4.21Å; Y326-I333 HydrophobicContact CG-CB 3.84Å; Y326-I333 HydrophobicContact CG-CG1 4.4Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 2.9Å; I333-A336 PolarHBondContact O-N 2.95Å; I333-L337 VanDerWaalsContact O-CB 3.31Å; I333-L337 WeakPolarHBondContact O-CB 3.1Å; I333-L337 PolarHBondContact O-N 3.29Å; I333-V358 HydrophobicContact CD1-CG1 4.16Å; I333-V358 HydrophobicContact CG1-CG1 4.04Å; I333-V358 HydrophobicContact CG2-CG1 3.79Å; I333-N359 WeakPolarHBondContact CG2-OD1 3.1Å; I333-N359 PolarHBondContact N-OD1 2.84Å; I333-L362 HydrophobicContact CB-CD1 3.72Å; I333-L362 HydrophobicContact CD1-CD1 3.75Å; I333-L362 HydrophobicContact CG1-CD1 4.34Å; I333-L362 HydrophobicContact CG2-CB 4.01Å; I333-L362 HydrophobicContact CG2-CD1 3.5Å; I333-L362 VanDerWaalsContact CG2-CD1 3.5Å; I333-L362 HydrophobicContact CG2-CG 4.35Å
334G98.6Very high97.4Very high0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-65.6-35.9177.600000112.6S332 R338 N359S332-G334 VanDerWaalsContact C-N 3.28Å; S332-G334 PolarHBondContact O-N 3.47Å; G334-R338 WeakPolarHBondContact O-CB 3.29Å; G334-R338 PolarHBondContact O-N 3.41Å; G334-N359 PolarHBondContact N-OD1 2.87Å
335E98.5Very high97.5Very high47 Ų4761.4 Ų61.422%0.2232%0.318CS..Hα-helixtrans-72-42173.917860.6-162.900111.7V331 S332 I333 L337 R338 R339V331-E335 HydrophobicContact CG1-CB 4.01Å; V331-E335 HydrophobicContact CG1-CG 3.83Å; S332-E335 PolarHBondContact O-N 2.87Å; S332-E335 WeakPolarHBondContact OG-CB 3.34Å; S332-E335 PolarHBondContact OG-N 3.45Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 2.9Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-L337 PolarHBondContact O-N 3.4Å; E335-R338 WeakPolarHBondContact O-CB 3.24Å; E335-R338 PolarHBondContact O-N 3.03Å; E335-R338 IonicContact OE2-CZ 2.71Å; E335-R338 IonicContact OE2-NH1 2.63Å; E335-R338 PolarHBondContact OE2-NH1 3.25Å; E335-R338 IonicContact OE2-NH2 3.46Å; E335-R339 WeakPolarHBondContact O-CG 3.33Å; E335-R339 PolarHBondContact O-N 3.41Å; E335-R339 IonicContact OE1-CZ 2.67Å; E335-R339 IonicContact OE1-NE 3.7Å; E335-R339 PolarHBondContact OE1-NE 3.07Å; E335-R339 IonicContact OE1-NH2 3.66Å; E335-R339 PolarHBondContact OE1-NH2 2.79Å
336A98.6Very high97.6Very high14 Ų1458.6 Ų58.612%0.11630%0.304CS..Hα-helixtrans-61.4-42.6174.700000111.7V129 Y326 V331 S332 I333 R339 S340V129-A336 HydrophobicContact CG1-CB 3.97Å; Y326-A336 HydrophobicContact CD1-CB 4.19Å; Y326-A336 HydrophobicContact CE1-CB 3.46Å; Y326-A336 VanDerWaalsContact CE1-CB 3.46Å; V331-A336 HydrophobicContact CG1-CB 4.08Å; S332-A336 PolarHBondContact O-N 3.46Å; I333-A336 PolarHBondContact O-N 2.95Å; A336-R339 PolarHBondContact O-N 3.26Å; A336-S340 PolarHBondContact O-N 3.03Å
337L98.7Very high97.6Very high0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-63-45.3174-178.658.2000111.3H125 L126 I333 E335 R339 S340 L341 L350 L355 V358H125-L337 HydrophobicContact CB-CD1 3.89Å; L126-L337 HydrophobicContact CB-CD1 4.11Å; L126-L337 HydrophobicContact CD1-CD2 4.39Å; I333-L337 VanDerWaalsContact O-CB 3.31Å; I333-L337 WeakPolarHBondContact O-CB 3.1Å; I333-L337 PolarHBondContact O-N 3.29Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-L337 PolarHBondContact O-N 3.4Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 3.48Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.12Å; L337-L341 HydrophobicContact CD1-CD1 3.91Å; L337-L341 HydrophobicContact CD1-CD2 4.35Å; L337-L341 HydrophobicContact CD1-CG 3.93Å; L337-L341 HydrophobicContact CD2-CD1 4.46Å; L337-L341 HydrophobicContact CG-CD1 3.76Å; L337-L341 HydrophobicContact CG-CG 4.24Å; L337-L341 WeakPolarHBondContact O-CB 3.49Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 2.99Å; L337-L350 HydrophobicContact CD2-CD1 4.1Å; L337-L355 HydrophobicContact CB-CD2 4.29Å; L337-L355 HydrophobicContact CD2-CD2 3.88Å; L337-L355 HydrophobicContact CG-CD2 4.02Å; L337-V358 HydrophobicContact CD2-CG2 4.47Å
338R98.6Very high97.6Very high109 Ų10958.6 Ų58.641%0.41132%0.323SS..Hα-helixtrans-54.9-48.5175.7-166-177.4-58.5139.213.7112.3G334 E335 S340 L341 S342 L355G334-R338 WeakPolarHBondContact O-CB 3.29Å; G334-R338 PolarHBondContact O-N 3.41Å; E335-R338 WeakPolarHBondContact O-CB 3.24Å; E335-R338 PolarHBondContact O-N 3.03Å; E335-R338 IonicContact OE2-CZ 2.71Å; E335-R338 IonicContact OE2-NH1 2.63Å; E335-R338 PolarHBondContact OE2-NH1 3.25Å; E335-R338 IonicContact OE2-NH2 3.46Å; R338-S340 VanDerWaalsContact C-N 3.3Å; R338-S340 PolarHBondContact O-N 2.98Å; R338-L341 PolarHBondContact O-N 2.68Å; R338-S342 PolarHBondContact O-N 2.85Å; R338-L355 HydrophobicContact CB-CD1 3.81Å; R338-L355 HydrophobicContact CG-CD1 3.89Å; R338-L355 VanDerWaalsContact NE-CD1 3.26Å
339R98.3Very high97.8Very high144 Ų14453.2 Ų53.254%0.54330%0.3SS..Hα-helixtrans-64.8-34.1178.3-68.6175-169.5-175.62.3112.6E335 A336 L337 S342E335-R339 WeakPolarHBondContact O-CG 3.33Å; E335-R339 PolarHBondContact O-N 3.41Å; E335-R339 IonicContact OE1-CZ 2.67Å; E335-R339 IonicContact OE1-NE 3.7Å; E335-R339 PolarHBondContact OE1-NE 3.07Å; E335-R339 IonicContact OE1-NH2 3.66Å; E335-R339 PolarHBondContact OE1-NH2 2.79Å; A336-R339 PolarHBondContact O-N 3.26Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 3.48Å; R339-S342 PolarHBondContact O-OG 3.04Å
340S98.1Very high98Very high22 Ų2251.7 Ų51.715%0.15428%0.282CS..Hα-helixtrans-71-42.3175.6-163.40000111.2H125 A336 L337 R338 S342 S343H125-S340 PolarHBondContact CE1-O 3.48Å; H125-S340 VanDerWaalsContact ND1-C 3.32Å; H125-S340 PolarHBondContact ND1-O 3.34Å; H125-S340 PolarHBondContact ND1-OG 3.19Å; A336-S340 PolarHBondContact O-N 3.03Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.12Å; R338-S340 VanDerWaalsContact C-N 3.3Å; R338-S340 PolarHBondContact O-N 2.98Å; S340-S342 VanDerWaalsContact C-N 3.31Å; S340-S342 PolarHBondContact O-N 2.85Å; S340-S343 PolarHBondContact O-OG 3.15Å
341L98.6Very high98.2Very high6 Ų641.6 Ų41.63%0.03124%0.239CC..Hα-helixtrans-69.9-25.9179.7-66.8170.5000113.3A122 H125 L337 R338 S343 D344 V349 L350A122-L341 HydrophobicContact CB-CD2 4.4Å; H125-L341 HydrophobicContact CB-CD2 3.61Å; H125-L341 HydrophobicContact CB-CG 4.26Å; L337-L341 HydrophobicContact CD1-CD1 3.91Å; L337-L341 HydrophobicContact CD1-CD2 4.35Å; L337-L341 HydrophobicContact CD1-CG 3.93Å; L337-L341 HydrophobicContact CD2-CD1 4.46Å; L337-L341 HydrophobicContact CG-CD1 3.76Å; L337-L341 HydrophobicContact CG-CG 4.24Å; L337-L341 WeakPolarHBondContact O-CB 3.49Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 2.99Å; R338-L341 PolarHBondContact O-N 2.68Å; L341-S343 PolarHBondContact O-N 3.28Å; L341-S343 VanDerWaalsContact O-N 3.16Å; L341-D344 WeakPolarHBondContact O-CB 3.44Å; L341-D344 PolarHBondContact O-N 3.07Å; L341-V349 HydrophobicContact CB-CB 4.34Å; L341-V349 HydrophobicContact CB-CG2 4.27Å; L341-V349 HydrophobicContact CD1-CB 4.33Å; L341-V349 HydrophobicContact CD2-CB 3.89Å; L341-V349 HydrophobicContact CD2-CG1 4Å; L341-V349 HydrophobicContact CD2-CG2 4.06Å; L341-V349 HydrophobicContact CG-CB 4.41Å; L341-L350 HydrophobicContact CD1-CB 4.34Å; L341-L350 HydrophobicContact CD1-CD1 3.96Å; L341-L350 HydrophobicContact CD1-CG 4.06Å
342S98.1Very high98.2Very high77 Ų7743.8 Ų43.854%0.53825%0.253SS..THydrogen-bonded Turntrans-66.9-13.8-179.662.60000114R338 R339 S340R338-S342 PolarHBondContact O-N 2.85Å; R339-S342 PolarHBondContact O-OG 3.04Å; S340-S342 VanDerWaalsContact C-N 3.31Å; S340-S342 PolarHBondContact O-N 2.85Å
343S96.2Very high98.2Very high93 Ų9345 Ų4565%0.6525%0.253SS*.THydrogen-bonded Turntrans-85.9-8.9172.567.20000113.6S340 L341S340-S343 PolarHBondContact O-OG 3.15Å; L341-S343 PolarHBondContact O-N 3.28Å; L341-S343 VanDerWaalsContact O-N 3.16Å
344D98.2Very high98.2Very high7 Ų745 Ų454%0.03725%0.253CS..SBendtrans-77.6137.1178.3-168.9-75.4000110.4I121 I139 G140 L341 V346 S347 V349I121-D344 HydrophobicContact CG2-CB 4.46Å; I121-D344 VanDerWaalsContact CG2-OD2 3.31Å; I121-D344 WeakPolarHBondContact CG2-OD2 3.14Å; I139-D344 WeakPolarHBondContact CA-OD2 3.42Å; G140-D344 WeakPolarHBondContact CA-OD1 3.29Å; G140-D344 PolarHBondContact N-OD1 3.49Å; G140-D344 PolarHBondContact N-OD2 3.33Å; L341-D344 WeakPolarHBondContact O-CB 3.44Å; L341-D344 PolarHBondContact O-N 3.07Å; D344-V346 PolarHBondContact O-N 3.38Å; D344-V346 VanDerWaalsContact O-N 3.09Å; D344-V346 WeakPolarHBondContact OD1-CG2 3.28Å; D344-V346 PolarHBondContact OD1-N 2.86Å; D344-S347 VanDerWaalsContact O-CB 3.32Å; D344-S347 WeakPolarHBondContact O-CB 3.19Å; D344-S347 PolarHBondContact O-N 2.97Å; D344-S347 VanDerWaalsContact O-N 3.08Å; D344-V349 HydrophobicContact CB-CG2 3.92Å
345P97.7Very high98.2Very high81 Ų8145.4 Ų45.453%0.52626%0.255SS..THydrogen-bonded Turntrans-57.2-23.1-178.9-2635000115.3I139I139-P345 HydrophobicContact CD1-CG 4.11Å; I139-P345 HydrophobicContact CG1-CG 4.15Å
346V97.6Very high98.2Very high9 Ų947.2 Ų47.26%0.05527%0.269CS..THydrogen-bonded Turntrans-10321.7-179.9-48.40000113.1R100 I121 V142 E193 D344 P348 V349R100-V346 PolarHBondContact NH2-O 3.45Å; R100-V346 VanDerWaalsContact NH2-O 3.13Å; I121-V346 HydrophobicContact CD1-CG2 3.82Å; V142-V346 HydrophobicContact CG2-CG1 4.24Å; E193-V346 HydrophobicContact CG-CB 4.02Å; E193-V346 HydrophobicContact CG-CG1 3.7Å; E193-V346 HydrophobicContact CG-CG2 4.4Å; D344-V346 PolarHBondContact O-N 3.38Å; D344-V346 VanDerWaalsContact O-N 3.09Å; D344-V346 WeakPolarHBondContact OD1-CG2 3.28Å; D344-V346 PolarHBondContact OD1-N 2.86Å; V346-P348 CarbonylContact O-C 3.57Å; V346-V349 HydrophobicContact CG2-CG2 4.36Å
347S97.7Very high98.2Very high60 Ų6046.6 Ų46.642%0.4226%0.264SS..  trans-56.5134171.7-177.40000111D344D344-S347 VanDerWaalsContact O-CB 3.32Å; D344-S347 WeakPolarHBondContact O-CB 3.19Å; D344-S347 PolarHBondContact O-N 2.97Å; D344-S347 VanDerWaalsContact O-N 3.08Å
348P97.9Very high98.2Very high90 Ų9046.6 Ų46.658%0.58426%0.264SS*.  cis-76.6128.94.130.3-34.6000113.5R100 V346R100-P348 PolarHBondContact NE-O 2.93Å; R100-P348 PolarHBondContact NH2-O 2.63Å; V346-P348 CarbonylContact O-C 3.57Å
349V98.6Very high98.2Very high2 Ų244 Ų441%0.01226%0.258CS..  trans-81.1-36.5179.4-1780000112.4R100 N118 I121 A122 L341 D344 V346R100-V349 WeakPolarHBondContact CD-O 3.5Å; R100-V349 PolarHBondContact NE-O 2.97Å; N118-V349 HydrophobicContact CB-CG1 4.04Å; N118-V349 WeakPolarHBondContact CB-O 3.29Å; N118-V349 PolarHBondContact ND2-O 2.92Å; N118-V349 WeakPolarHBondContact O-CG1 3.3Å; I121-V349 HydrophobicContact CB-CG1 3.84Å; I121-V349 HydrophobicContact CG2-CG1 3.77Å; I121-V349 HydrophobicContact CG2-CG2 4.07Å; A122-V349 HydrophobicContact CB-CG1 4.28Å; L341-V349 HydrophobicContact CB-CB 4.34Å; L341-V349 HydrophobicContact CB-CG2 4.27Å; L341-V349 HydrophobicContact CD1-CB 4.33Å; L341-V349 HydrophobicContact CD2-CB 3.89Å; L341-V349 HydrophobicContact CD2-CG1 4Å; L341-V349 HydrophobicContact CD2-CG2 4.06Å; L341-V349 HydrophobicContact CG-CB 4.41Å; D344-V349 HydrophobicContact CB-CG2 3.92Å; V346-V349 HydrophobicContact CG2-CG2 4.36Å
350L98.5Very high98.2Very high13 Ų1341.3 Ų41.37%0.06825%0.248CC..SBendtrans-122.4145.9178.7-71.3-179.1000111.1A122 F295 L337 L341 H354 L355A122-L350 HydrophobicContact CB-CD1 3.77Å; A122-L350 HydrophobicContact CB-CD2 3.82Å; A122-L350 HydrophobicContact CB-CG 3.75Å; F295-L350 HydrophobicContact CB-CD2 4.05Å; F295-L350 HydrophobicContact CD1-CD1 3.95Å; F295-L350 HydrophobicContact CD1-CD2 4.06Å; F295-L350 HydrophobicContact CD2-CD2 4Å; F295-L350 HydrophobicContact CE1-CD1 3.66Å; F295-L350 HydrophobicContact CE2-CD1 4.29Å; F295-L350 HydrophobicContact CE2-CD2 4.48Å; F295-L350 HydrophobicContact CG-CD1 4.38Å; F295-L350 HydrophobicContact CG-CD2 3.76Å; F295-L350 HydrophobicContact CZ-CD1 3.84Å; L337-L350 HydrophobicContact CD2-CD1 4.1Å; L341-L350 HydrophobicContact CD1-CB 4.34Å; L341-L350 HydrophobicContact CD1-CD1 3.96Å; L341-L350 HydrophobicContact CD1-CG 4.06Å; L350-H354 HydrophobicContact CD1-CB 4.4Å; L350-L355 HydrophobicContact CD1-CD2 4.19Å
351A98.3Very high98.3Very high10 Ų1040.4 Ų40.48%0.08324%0.241CC..  trans-66.8142.9164.900000110.8R100 N101 K353 H354R100-A351 HydrophobicContact CB-CB 4.34Å; R100-A351 VanDerWaalsContact O-CB 3.3Å; R100-A351 WeakPolarHBondContact O-CB 3.48Å; N101-A351 WeakPolarHBondContact OD1-CB 3.49Å; A351-K353 HydrophobicContact CB-CD 4.45Å; A351-K353 HydrophobicContact CB-CG 3.95Å; A351-K353 PolarHBondContact O-N 3.03Å; A351-H354 PolarHBondContact O-N 3Å
352T98.2Very high98.3Very high91 Ų9140.2 Ų40.256%0.55824%0.24SC*.Hα-helixtrans-52.8-33.8-175.6-55.50000113.5H354 L355 V356T352-H354 VanDerWaalsContact C-N 3.26Å; T352-H354 PolarHBondContact O-N 3.24Å; T352-L355 WeakPolarHBondContact O-CB 3.45Å; T352-L355 PolarHBondContact O-N 2.64Å; T352-V356 PolarHBondContact O-N 3.35Å
353K98.6Very high98.3Very high67 Ų6741.1 Ų41.129%0.29124%0.236SC..Hα-helixtrans-55.8-35.3176.859.8-174.5-179165.30113.8N101 E103 S298 A351 V356 A357N101-K353 PolarHBondContact O-NZ 2.65Å; E103-K353 VanDerWaalsContact CD-NZ 3.29Å; E103-K353 VanDerWaalsContact CG-NZ 3.31Å; E103-K353 WeakPolarHBondContact OE1-CD 3.25Å; E103-K353 WeakPolarHBondContact OE1-CE 3.3Å; E103-K353 IonicContact OE1-NZ 2.58Å; E103-K353 PolarHBondContact OE1-NZ 2.88Å; S298-K353 WeakPolarHBondContact OG-CD 3.39Å; A351-K353 HydrophobicContact CB-CD 4.45Å; A351-K353 HydrophobicContact CB-CG 3.95Å; A351-K353 PolarHBondContact O-N 3.03Å; K353-V356 PolarHBondContact O-N 3.32Å; K353-A357 PolarHBondContact O-N 3.19Å
354H98.7Very high98.4Very high4 Ų437.8 Ų37.82%0.01921%0.212CC..Hα-helixtrans-71.8-33.4175.8-67.4-73.2000112.2E103 F295 L350 A351 T352 V356 A357 V358E103-H354 IonicContact OE2-CE1 2.59Å; E103-H354 IonicContact OE2-NE2 2.91Å; F295-H354 HydrophobicContact CD1-CB 3.94Å; F295-H354 PolarHBondContact O-CE1 3.4Å; L350-H354 HydrophobicContact CD1-CB 4.4Å; A351-H354 PolarHBondContact O-N 3Å; T352-H354 VanDerWaalsContact C-N 3.26Å; T352-H354 PolarHBondContact O-N 3.24Å; H354-V356 VanDerWaalsContact C-N 3.29Å; H354-V356 PolarHBondContact O-N 2.85Å; H354-A357 WeakPolarHBondContact O-CB 3.49Å; H354-A357 PolarHBondContact O-N 2.83Å; H354-V358 VanDerWaalsContact O-CG2 3.3Å; H354-V358 WeakPolarHBondContact O-CG2 3.48Å; H354-V358 PolarHBondContact O-N 3.32Å
355L98.7Very high98.4Very high7 Ų737.5 Ų37.54%0.03721%0.21CC..Hα-helixtrans-65.6-35.6176.1-56.4176.1000111.5L337 R338 L350 T352 N359L337-L355 HydrophobicContact CB-CD2 4.29Å; L337-L355 HydrophobicContact CD2-CD2 3.88Å; L337-L355 HydrophobicContact CG-CD2 4.02Å; R338-L355 HydrophobicContact CB-CD1 3.81Å; R338-L355 HydrophobicContact CG-CD1 3.89Å; R338-L355 VanDerWaalsContact NE-CD1 3.26Å; L350-L355 HydrophobicContact CD1-CD2 4.19Å; T352-L355 WeakPolarHBondContact O-CB 3.45Å; T352-L355 PolarHBondContact O-N 2.64Å; L355-N359 PolarHBondContact O-N 3.14Å
356V98.6Very high98.5Very high86 Ų8634.6 Ų34.652%0.52119%0.19SC..Hα-helixtrans-65.9-44.9172179.50000110.5T352 K353 H354 V358 N359 R360T352-V356 PolarHBondContact O-N 3.35Å; K353-V356 PolarHBondContact O-N 3.32Å; H354-V356 VanDerWaalsContact C-N 3.29Å; H354-V356 PolarHBondContact O-N 2.85Å; V356-V358 PolarHBondContact O-N 2.81Å; V356-N359 WeakPolarHBondContact O-CB 3.29Å; V356-N359 PolarHBondContact O-N 3.14Å; V356-R360 PolarHBondContact O-N 3.27Å
357A98.8Very high98.5Very high0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-60.1-40.717700000112.8S298 K353 H354 N359 R360 R361S298-A357 WeakPolarHBondContact O-CB 3.49Å; K353-A357 PolarHBondContact O-N 3.19Å; H354-A357 WeakPolarHBondContact O-CB 3.49Å; H354-A357 PolarHBondContact O-N 2.83Å; A357-N359 VanDerWaalsContact C-N 3.31Å; A357-N359 PolarHBondContact O-N 2.99Å; A357-R360 PolarHBondContact O-N 3.04Å; A357-R361 WeakPolarHBondContact O-CB 3.47Å; A357-R361 WeakPolarHBondContact O-CD 3.46Å; A357-R361 VanDerWaalsContact O-CG 3.25Å; A357-R361 WeakPolarHBondContact O-CG 3.5Å; A357-R361 PolarHBondContact O-N 3.45Å
358V98.8Very high98.5Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-61-38.91771750000111.4L264 F295 I333 L337 H354 V356 R361 L362L264-V358 HydrophobicContact CD2-CG1 4.4Å; F295-V358 HydrophobicContact CE1-CG2 3.9Å; I333-V358 HydrophobicContact CD1-CG1 4.16Å; I333-V358 HydrophobicContact CG1-CG1 4.04Å; I333-V358 HydrophobicContact CG2-CG1 3.79Å; L337-V358 HydrophobicContact CD2-CG2 4.47Å; H354-V358 VanDerWaalsContact O-CG2 3.3Å; H354-V358 WeakPolarHBondContact O-CG2 3.48Å; H354-V358 PolarHBondContact O-N 3.32Å; V356-V358 PolarHBondContact O-N 2.81Å; V358-R361 PolarHBondContact O-N 3.32Å; V358-L362 WeakPolarHBondContact O-CB 3.14Å; V358-L362 PolarHBondContact O-N 2.85Å
359N98.7Very high98.5Very high54 Ų5434.2 Ų34.229%0.28917%0.172SC..Hα-helixtrans-63.3-47.8175-71.3-28.3000111.8S332 I333 G334 L355 V356 A357 R361 L362 E363S332-N359 WeakPolarHBondContact CB-OD1 3.35Å; I333-N359 WeakPolarHBondContact CG2-OD1 3.1Å; I333-N359 PolarHBondContact N-OD1 2.84Å; G334-N359 PolarHBondContact N-OD1 2.87Å; L355-N359 PolarHBondContact O-N 3.14Å; V356-N359 WeakPolarHBondContact O-CB 3.29Å; V356-N359 PolarHBondContact O-N 3.14Å; A357-N359 VanDerWaalsContact C-N 3.31Å; A357-N359 PolarHBondContact O-N 2.99Å; N359-R361 VanDerWaalsContact C-N 3.34Å; N359-R361 PolarHBondContact O-N 3.15Å; N359-L362 PolarHBondContact O-N 3.45Å; N359-E363 PolarHBondContact O-N 2.9Å
360R98.7Very high98.4Very high89 Ų8936.7 Ų36.734%0.33619%0.193SC..Hα-helixtrans-59.9-42.3177.3-178.3-175.667.8-129-2112S298 D301 V356 A357 E363 T364S298-R360 PolarHBondContact O-NH1 3.18Å; S298-R360 PolarHBondContact O-NH2 3.32Å; D301-R360 IonicContact OD1-CZ 3.58Å; D301-R360 IonicContact OD1-NE 3.39Å; D301-R360 IonicContact OD1-NH2 3.76Å; D301-R360 PolarHBondContact OD1-NH2 2.82Å; D301-R360 IonicContact OD2-CZ 3.69Å; D301-R360 IonicContact OD2-NE 3.45Å; D301-R360 PolarHBondContact OD2-NE 3.37Å; D301-R360 IonicContact OD2-NH2 3.71Å; D301-R360 PolarHBondContact OD2-NH2 3.16Å; V356-R360 PolarHBondContact O-N 3.27Å; A357-R360 PolarHBondContact O-N 3.04Å; R360-E363 WeakPolarHBondContact O-CB 3.2Å; R360-E363 PolarHBondContact O-N 3.01Å; R360-T364 PolarHBondContact O-N 3.03Å; R360-T364 PolarHBondContact O-OG1 3.13Å
361R98.9Very high98.4Very high3 Ų340.6 Ų40.61%0.01121%0.209CC..Hα-helixtrans-67.6-38.3177.2-69.4161.8-178.6175.50.4111.7F263 L264 M265 R297 F300 D301 A357 V358 N359 E363 T364 V365F263-R361 HydrophobicContact CD1-CB 4.07Å; F263-R361 HydrophobicContact CE1-CB 3.68Å; F263-R361 HydrophobicContact CE1-CG 4.07Å; F263-R361 WeakPolarHBondContact CE1-O 2.77Å; F263-R361 HydrophobicContact CZ-CB 4.35Å; F263-R361 HydrophobicContact CZ-CG 4.25Å; F263-R361 WeakPolarHBondContact O-CD 3.37Å; L264-R361 HydrophobicContact CD2-CB 3.87Å; L264-R361 WeakPolarHBondContact O-CD 3.24Å; L264-R361 PolarHBondContact O-NH1 2.73Å; M265-R361 PolarHBondContact O-NH1 3.47Å; R297-R361 PolarHBondContact O-NH2 3.19Å; F300-R361 PolarHBondContact O-NH2 2.92Å; D301-R361 VanDerWaalsContact OD1-CG 3.29Å; D301-R361 WeakPolarHBondContact OD1-CG 3.17Å; D301-R361 IonicContact OD1-CZ 3.54Å; D301-R361 IonicContact OD1-NE 3.2Å; D301-R361 PolarHBondContact OD1-NE 2.89Å; D301-R361 IonicContact OD1-NH2 2.75Å; A357-R361 WeakPolarHBondContact O-CB 3.47Å; A357-R361 WeakPolarHBondContact O-CD 3.46Å; A357-R361 VanDerWaalsContact O-CG 3.25Å; A357-R361 WeakPolarHBondContact O-CG 3.5Å; A357-R361 PolarHBondContact O-N 3.45Å; V358-R361 PolarHBondContact O-N 3.32Å; N359-R361 VanDerWaalsContact C-N 3.34Å; N359-R361 PolarHBondContact O-N 3.15Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 2.84Å; R361-T364 WeakPolarHBondContact O-CB 3.48Å; R361-T364 PolarHBondContact O-N 3.15Å; R361-T364 VanDerWaalsContact O-N 3.16Å; R361-V365 WeakPolarHBondContact O-CG2 3.46Å; R361-V365 PolarHBondContact O-N 3.12Å
362L98.7Very high98.4Very high2 Ų240.4 Ų40.41%0.0121%0.207CC..Hα-helixtrans-59.3-42.8175.2-178151.6000111.7L264 L323 Y327 I333 V358 N359 T364 V365 L366L264-L362 HydrophobicContact CD2-CB 3.91Å; L323-L362 HydrophobicContact CD2-CD1 3.79Å; L323-L362 HydrophobicContact CD2-CG 4.04Å; Y327-L362 HydrophobicContact CD2-CD2 3.83Å; Y327-L362 HydrophobicContact CG-CD2 4.15Å; I333-L362 HydrophobicContact CB-CD1 3.72Å; I333-L362 HydrophobicContact CD1-CD1 3.75Å; I333-L362 HydrophobicContact CG1-CD1 4.34Å; I333-L362 HydrophobicContact CG2-CB 4.01Å; I333-L362 HydrophobicContact CG2-CD1 3.5Å; I333-L362 VanDerWaalsContact CG2-CD1 3.5Å; I333-L362 HydrophobicContact CG2-CG 4.35Å; V358-L362 WeakPolarHBondContact O-CB 3.14Å; V358-L362 PolarHBondContact O-N 2.85Å; N359-L362 PolarHBondContact O-N 3.45Å; L362-T364 VanDerWaalsContact C-N 3.29Å; L362-T364 PolarHBondContact O-N 2.84Å; L362-V365 PolarHBondContact O-N 3Å; L362-L366 HydrophobicContact CD2-CD1 3.66Å; L362-L366 HydrophobicContact CD2-CG 4.13Å; L362-L366 PolarHBondContact O-N 3.43Å
363E98.3Very high98.3Very high95 Ų9537.2 Ų37.244%0.44419%0.186SC..Hα-helixtrans-57.1-44.8175.5179.5164.7-142.200111.7Y327 N359 R360 R361 V365 L366 F367Y327-E363 HydrophobicContact CD2-CB 4.31Å; Y327-E363 HydrophobicContact CE2-CB 3.72Å; Y327-E363 HydrophobicContact CE2-CG 3.68Å; Y327-E363 PolarHBondContact OH-OE1 3.25Å; N359-E363 PolarHBondContact O-N 2.9Å; R360-E363 WeakPolarHBondContact O-CB 3.2Å; R360-E363 PolarHBondContact O-N 3.01Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 2.84Å; E363-V365 PolarHBondContact O-N 3.27Å; E363-L366 PolarHBondContact O-N 2.89Å; E363-F367 PolarHBondContact O-N 3.2Å
364T98.6Very high98.3Very high24 Ų2441.6 Ų41.615%0.14721%0.207CC..Hα-helixtrans-58.3-45.5175-63.50000111.9F263 F303 R360 R361 L362 L366 F367 E368F263-T364 HydrophobicContact CE1-CG2 3.81Å; F263-T364 HydrophobicContact CZ-CG2 3.64Å; F303-T364 HydrophobicContact CD1-CG2 3.95Å; F303-T364 HydrophobicContact CE1-CG2 3.46Å; F303-T364 VanDerWaalsContact CE1-CG2 3.46Å; F303-T364 HydrophobicContact CZ-CG2 4.48Å; R360-T364 PolarHBondContact O-N 3.03Å; R360-T364 PolarHBondContact O-OG1 3.13Å; R361-T364 WeakPolarHBondContact O-CB 3.48Å; R361-T364 PolarHBondContact O-N 3.15Å; R361-T364 VanDerWaalsContact O-N 3.16Å; L362-T364 VanDerWaalsContact C-N 3.29Å; L362-T364 PolarHBondContact O-N 2.84Å; T364-L366 VanDerWaalsContact C-N 3.31Å; T364-L366 PolarHBondContact O-N 3.43Å; T364-F367 WeakPolarHBondContact O-CB 3.4Å; T364-F367 PolarHBondContact O-N 3.44Å; T364-E368 PolarHBondContact O-N 2.81Å
365V98.8Very high98.1Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-59.8-42.6177.9177.60000111.3V260 F263 I306 L309 M315 L323 R361 L362 E363 E368 L369V260-V365 HydrophobicContact CG1-CG1 4.27Å; V260-V365 HydrophobicContact CG2-CG1 4.02Å; F263-V365 HydrophobicContact CD1-CG2 3.55Å; F263-V365 HydrophobicContact CE1-CG2 3.96Å; I306-V365 HydrophobicContact CD1-CG2 4.16Å; I306-V365 HydrophobicContact CG1-CG2 4.34Å; L309-V365 HydrophobicContact CD2-CG1 3.94Å; M315-V365 HydrophobicContact CE-CG1 3.98Å; L323-V365 HydrophobicContact CD1-CG1 3.67Å; R361-V365 WeakPolarHBondContact O-CG2 3.46Å; R361-V365 PolarHBondContact O-N 3.12Å; L362-V365 PolarHBondContact O-N 3Å; E363-V365 PolarHBondContact O-N 3.27Å; V365-E368 PolarHBondContact O-N 3.14Å; V365-L369 WeakPolarHBondContact O-CB 3.23Å; V365-L369 PolarHBondContact O-N 3.49Å
366L98.2Very high98Very high20 Ų2050.7 Ų50.711%0.10525%0.253CS..Hα-helixtrans-68.1-35.6177.8-72.1-178.3000112.7L323 I324 Y327 L362 E363 T364 L369 A370L323-L366 HydrophobicContact CB-CD2 3.75Å; L323-L366 HydrophobicContact CB-CG 4.33Å; I324-L366 HydrophobicContact CG1-CD2 3.81Å; Y327-L366 HydrophobicContact CD1-CD1 4.02Å; Y327-L366 HydrophobicContact CD2-CD1 4.07Å; Y327-L366 HydrophobicContact CG-CD1 3.55Å; L362-L366 HydrophobicContact CD2-CD1 3.66Å; L362-L366 HydrophobicContact CD2-CG 4.13Å; L362-L366 PolarHBondContact O-N 3.43Å; E363-L366 PolarHBondContact O-N 2.89Å; T364-L366 VanDerWaalsContact C-N 3.31Å; T364-L366 PolarHBondContact O-N 3.43Å; L366-L369 HydrophobicContact CD2-CD2 4.36Å; L366-L369 PolarHBondContact O-N 2.73Å; L366-A370 WeakPolarHBondContact O-CB 3.33Å; L366-A370 PolarHBondContact O-N 3.06Å
367F98.1Very high97.8Very high125 Ų12550.2 Ų50.255%0.54827%0.266SS..Hα-helixtrans-63.8-45.1174.9-175.6-116000111.7E363 T364 A370 K371E363-F367 PolarHBondContact O-N 3.2Å; T364-F367 WeakPolarHBondContact O-CB 3.4Å; T364-F367 PolarHBondContact O-N 3.44Å; F367-A370 WeakPolarHBondContact O-CB 3.45Å; F367-A370 PolarHBondContact O-N 3.24Å; F367-K371 HydrophobicContact CD1-CD 4.43Å; F367-K371 HydrophobicContact CE1-CD 4.26Å; F367-K371 PolarHBondContact O-N 2.98Å
368E98.4Very high97.5Very high22 Ų2252.4 Ų52.410%0.10329%0.288CS..Hα-helixtrans-65.9-37.9175.4-64.2-50.9135.300112.3L309 V310 T364 V365 A370 K371 C372L309-E368 HydrophobicContact CD2-CB 4.25Å; V310-E368 HydrophobicContact CG2-CB 4.17Å; V310-E368 HydrophobicContact CG2-CG 3.9Å; T364-E368 PolarHBondContact O-N 2.81Å; V365-E368 PolarHBondContact O-N 3.14Å; E368-A370 VanDerWaalsContact C-N 3.34Å; E368-A370 PolarHBondContact O-N 3.28Å; E368-K371 PolarHBondContact O-N 3.41Å; E368-K371 IonicContact OE1-NZ 2.71Å; E368-K371 PolarHBondContact OE1-NZ 2.89Å; E368-K371 WeakPolarHBondContact OE2-CD 3.37Å; E368-K371 IonicContact OE2-NZ 2.84Å; E368-K371 PolarHBondContact OE2-NZ 2.88Å; E368-C372 PolarHBondContact O-N 2.9Å
369L97.8Very high97.2Very high4 Ų456 Ų562%0.02131%0.307CS..Hα-helixtrans-60.1-43.4171.5175.862.5000111.9M315 A320 V365 L366 C372 I373 V383 L384M315-L369 HydrophobicContact CB-CD1 4.21Å; M315-L369 HydrophobicContact SD-CD1 4.22Å; M315-L369 HydrophobicContact SD-CD2 3.89Å; A320-L369 HydrophobicContact CB-CD2 3.87Å; V365-L369 WeakPolarHBondContact O-CB 3.23Å; V365-L369 PolarHBondContact O-N 3.49Å; L366-L369 HydrophobicContact CD2-CD2 4.36Å; L366-L369 PolarHBondContact O-N 2.73Å; L369-C372 WeakPolarHBondContact O-CB 3.4Å; L369-C372 PolarHBondContact O-N 3.28Å; L369-I373 HydrophobicContact CD1-CD1 4.33Å; L369-I373 HydrophobicContact CG-CD1 4.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.3Å; L369-I373 PolarHBondContact O-N 3.24Å; L369-V383 HydrophobicContact CD1-CG1 3.68Å; L369-L384 HydrophobicContact CD1-CD2 3.98Å
370A97.1Very high96.9Very high55 Ų5554.9 Ų54.946%0.45530%0.299SS..Hα-helixtrans-63.1-41.5178.400000111.8L366 F367 E368 C372 I373 H374L366-A370 WeakPolarHBondContact O-CB 3.33Å; L366-A370 PolarHBondContact O-N 3.06Å; F367-A370 WeakPolarHBondContact O-CB 3.45Å; F367-A370 PolarHBondContact O-N 3.24Å; E368-A370 VanDerWaalsContact C-N 3.34Å; E368-A370 PolarHBondContact O-N 3.28Å; A370-C372 VanDerWaalsContact C-N 3.33Å; A370-C372 PolarHBondContact O-N 3.03Å; A370-I373 PolarHBondContact O-N 3.08Å; A370-H374 WeakPolarHBondContact O-CB 3.48Å; A370-H374 PolarHBondContact O-N 2.91Å
371K97.9Very high96.6Very high95 Ų9555.9 Ų55.941%0.41331%0.306SS..Hα-helixtrans-58.9-42.8172.6-73.5173.6178.1166.40112.2F367 E368 I373 H374 K375F367-K371 HydrophobicContact CD1-CD 4.43Å; F367-K371 HydrophobicContact CE1-CD 4.26Å; F367-K371 PolarHBondContact O-N 2.98Å; E368-K371 PolarHBondContact O-N 3.41Å; E368-K371 IonicContact OE1-NZ 2.71Å; E368-K371 PolarHBondContact OE1-NZ 2.89Å; E368-K371 WeakPolarHBondContact OE2-CD 3.37Å; E368-K371 IonicContact OE2-NZ 2.84Å; E368-K371 PolarHBondContact OE2-NZ 2.88Å; K371-I373 PolarHBondContact O-N 3.01Å; K371-H374 PolarHBondContact O-N 3.29Å; K371-K375 WeakPolarHBondContact O-CB 3.25Å; K371-K375 PolarHBondContact O-N 3.38Å
372C97.8Very high96.3Very high5 Ų557.1 Ų57.13%0.03432%0.317CS..Hα-helixtrans-61.8-42.7176.6-75.80000112.5C313 E368 L369 A370 K375 A376 V383C313-C372 WeakPolarHBondContact CA-SG 3.39Å; C313-C372 HydrophobicContact CB-CB 3.55Å; C313-C372 WeakPolarHBondContact CB-SG 3.22Å; C313-C372 WeakPolarHBondContact SG-CA 3.47Å; C313-C372 WeakPolarHBondContact SG-CB 3.28Å; C313-C372 CovalentContact SG-SG 2.05Å; C313-C372 PolarHBondContact SG-SG 2.76Å; E368-C372 PolarHBondContact O-N 2.9Å; L369-C372 WeakPolarHBondContact O-CB 3.4Å; L369-C372 PolarHBondContact O-N 3.28Å; A370-C372 VanDerWaalsContact C-N 3.33Å; A370-C372 PolarHBondContact O-N 3.03Å; C372-K375 PolarHBondContact O-N 3.06Å; C372-A376 PolarHBondContact O-N 3.39Å; C372-A376 VanDerWaalsContact O-N 3.08Å; C372-V383 HydrophobicContact CB-CG1 4.06Å; C372-V383 HydrophobicContact CB-CG2 4.23Å
373I96.8Very high96.2Very high24 Ų2457.2 Ų57.212%0.12332%0.317CS..Hα-helixtrans-65.5-40.6176.4-65.5170000110.8L3 L369 A370 K371 A376 G378 V383L3-I373 HydrophobicContact CD1-CD1 4.19Å; L3-I373 HydrophobicContact CD2-CD1 3.57Å; L369-I373 HydrophobicContact CD1-CD1 4.33Å; L369-I373 HydrophobicContact CG-CD1 4.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.3Å; L369-I373 PolarHBondContact O-N 3.24Å; A370-I373 PolarHBondContact O-N 3.08Å; K371-I373 PolarHBondContact O-N 3.01Å; I373-A376 CarbonylContact O-C 3.57Å; I373-A376 PolarHBondContact O-N 2.89Å; I373-G378 WeakPolarHBondContact O-CA 3.5Å; I373-G378 PolarHBondContact O-N 2.76Å; I373-V383 HydrophobicContact CG1-CB 4.12Å; I373-V383 HydrophobicContact CG1-CG1 4.22Å; I373-V383 HydrophobicContact CG1-CG2 4.08Å
374H97Very high96Very high159 Ų15952.9 Ų52.974%0.73630%0.297SS*.Hα-helixtrans-62.6-44.4175.7-176.572.7000111.9A370 K371 A376 G377A370-H374 WeakPolarHBondContact O-CB 3.48Å; A370-H374 PolarHBondContact O-N 2.91Å; K371-H374 PolarHBondContact O-N 3.29Å; H374-A376 PolarHBondContact O-N 2.75Å; H374-G377 PolarHBondContact O-N 3.49Å
375K95.8Very high95.8Very high168 Ų16852.8 Ų52.873%0.7330%0.296SS*.Hα-helixtrans-60.7-29.5174.8-173179.4177.4-174.90112.5K371 C372 G377K371-K375 WeakPolarHBondContact O-CB 3.25Å; K371-K375 PolarHBondContact O-N 3.38Å; C372-K375 PolarHBondContact O-N 3.06Å; K375-G377 PolarHBondContact O-N 2.87Å
376A95.3Very high95.4Very high35 Ų3554.6 Ų54.629%0.28930%0.304SS..THydrogen-bonded Turntrans-81.815.3172.900000113.8C372 I373 H374 G378 D379 A382 V383C372-A376 PolarHBondContact O-N 3.39Å; C372-A376 VanDerWaalsContact O-N 3.08Å; I373-A376 CarbonylContact O-C 3.57Å; I373-A376 PolarHBondContact O-N 2.89Å; H374-A376 PolarHBondContact O-N 2.75Å; A376-G378 PolarHBondContact O-N 2.87Å; A376-D379 WeakPolarHBondContact O-CB 3.34Å; A376-D379 PolarHBondContact O-N 2.94Å; A376-D379 VanDerWaalsContact O-N 3.12Å; A376-A382 HydrophobicContact CB-CB 4.11Å; A376-V383 HydrophobicContact CB-CG2 4.04Å
377G95.4Very high95.1Very high76 Ų7656 Ų5678%0.78431%0.308SS*.THydrogen-bonded Turntrans6822.6-179.600000113.8H374 K375 D379H374-G377 PolarHBondContact O-N 3.49Å; K375-G377 PolarHBondContact O-N 2.87Å; G377-D379 VanDerWaalsContact C-N 3.32Å
378G92.2Very high94.8Very high45 Ų4550.8 Ų50.846%0.46429%0.286SS..THydrogen-bonded Turntrans85.3-2.2-173.500000114.4I373 A376 Y380I373-G378 WeakPolarHBondContact O-CA 3.5Å; I373-G378 PolarHBondContact O-N 2.76Å; A376-G378 PolarHBondContact O-N 2.87Å; G378-Y380 VanDerWaalsContact C-N 3.33Å; G378-Y380 PolarHBondContact O-N 3.33Å
379D92.7Very high94.2Very high75 Ų7552.8 Ų52.840%0.40130%0.301SS..  trans-73.885.1174.8-177.513.8000111.2A376 G377 K381 A382A376-D379 WeakPolarHBondContact O-CB 3.34Å; A376-D379 PolarHBondContact O-N 2.94Å; A376-D379 VanDerWaalsContact O-N 3.12Å; G377-D379 VanDerWaalsContact C-N 3.32Å; D379-K381 PolarHBondContact O-N 2.82Å; D379-K381 VanDerWaalsContact O-N 3.16Å; D379-K381 WeakPolarHBondContact OD1-CA 3.31Å; D379-K381 WeakPolarHBondContact OD1-CB 3.13Å; D379-K381 PolarHBondContact OD1-N 3.27Å; D379-A382 HydrophobicContact CB-CB 4.28Å; D379-A382 WeakPolarHBondContact O-CB 3.44Å; D379-A382 PolarHBondContact O-N 2.96Å; D379-A382 PolarHBondContact OD1-N 2.86Å
380Y93Very high93Very high31 Ų3158.1 Ų58.112%0.12232%0.324CS..Hα-helixtrans-61-21.9175.668.8-87.4000113.1L3 Q6 L10 G378 A382 V383 L384L3-Y380 HydrophobicContact CD1-CD2 3.95Å; L3-Y380 HydrophobicContact CD1-CG 3.76Å; Q6-Y380 HydrophobicContact CB-CD2 4.48Å; Q6-Y380 HydrophobicContact CB-CE1 4.29Å; Q6-Y380 HydrophobicContact CB-CE2 3.76Å; Q6-Y380 VanDerWaalsContact CD-CE1 3.43Å; Q6-Y380 HydrophobicContact CG-CE1 4.17Å; Q6-Y380 HydrophobicContact CG-CE2 4.48Å; L10-Y380 HydrophobicContact CD1-CD2 4.31Å; L10-Y380 HydrophobicContact CD1-CE2 4.15Å; G378-Y380 VanDerWaalsContact C-N 3.33Å; G378-Y380 PolarHBondContact O-N 3.33Å; Y380-A382 PolarHBondContact O-N 3.38Å; Y380-V383 PolarHBondContact O-N 3.33Å; Y380-L384 HydrophobicContact CD2-CD1 4.41Å; Y380-L384 VanDerWaalsContact O-CB 3.3Å; Y380-L384 WeakPolarHBondContact O-CB 3.41Å; Y380-L384 WeakPolarHBondContact O-CG 3.35Å; Y380-L384 PolarHBondContact O-N 2.83Å
381K91.5Very high91.4Very high110 Ų11062.2 Ų62.248%0.47833%0.331SS..Hα-helixtrans-76.4-12.7176.1-58.9178.2179.9174.30112.1D379 L385 K395D379-K381 PolarHBondContact O-N 2.82Å; D379-K381 VanDerWaalsContact O-N 3.16Å; D379-K381 WeakPolarHBondContact OD1-CA 3.31Å; D379-K381 WeakPolarHBondContact OD1-CB 3.13Å; D379-K381 PolarHBondContact OD1-N 3.27Å; K381-L385 VanDerWaalsContact O-CD2 3.28Å; K381-L385 WeakPolarHBondContact O-CD2 3.42Å; K381-K395 PolarHBondContact O-NZ 2.84Å
382A92.8Very high89Confident30 Ų3061.8 Ų61.825%0.24835%0.354CS..Hα-helixtrans-76.5-31.5168.600000113A376 D379 Y380A376-A382 HydrophobicContact CB-CB 4.11Å; D379-A382 HydrophobicContact CB-CB 4.28Å; D379-A382 WeakPolarHBondContact O-CB 3.44Å; D379-A382 PolarHBondContact O-N 2.96Å; D379-A382 PolarHBondContact OD1-N 2.86Å; Y380-A382 PolarHBondContact O-N 3.38Å
383V96Very high86.2Confident3 Ų368.6 Ų68.62%0.01839%0.387CS..Hα-helixtrans-94.5-42.9-177179.20000111.5C313 V314 M315 L369 C372 I373 A376 Y380 L385C313-V383 WeakPolarHBondContact O-CG1 3.45Å; V314-V383 CarbonylContact C-O 3.56Å; V314-V383 VanDerWaalsContact CA-O 3.25Å; V314-V383 WeakPolarHBondContact CA-O 3.21Å; M315-V383 PolarHBondContact N-O 3.18Å; L369-V383 HydrophobicContact CD1-CG1 3.68Å; C372-V383 HydrophobicContact CB-CG1 4.06Å; C372-V383 HydrophobicContact CB-CG2 4.23Å; I373-V383 HydrophobicContact CG1-CB 4.12Å; I373-V383 HydrophobicContact CG1-CG1 4.22Å; I373-V383 HydrophobicContact CG1-CG2 4.08Å; A376-V383 HydrophobicContact CB-CG2 4.04Å; Y380-V383 PolarHBondContact O-N 3.33Å; V383-L385 PolarHBondContact O-N 3.34Å
384L95.4Very high83.2Confident5 Ų571.8 Ų71.83%0.02642%0.417CS..BIsolated β-bridgetrans-89.390.8-175.6-59-172.4000110.9L3 I7 L10 M315 P317 A320 L369 Y380L3-L384 HydrophobicContact CD1-CD1 3.86Å; L3-L384 HydrophobicContact CD2-CD1 4.43Å; L3-L384 HydrophobicContact CG-CD1 4.34Å; I7-L384 HydrophobicContact CD1-CD1 3.85Å; I7-L384 HydrophobicContact CG1-CD1 3.59Å; L10-L384 HydrophobicContact CD1-CB 3.98Å; M315-L384 HydrophobicContact CB-CD2 4.16Å; M315-L384 VanDerWaalsContact O-CA 3.3Å; M315-L384 WeakPolarHBondContact O-CA 3.31Å; P317-L384 HydrophobicContact CG-CB 4.15Å; A320-L384 HydrophobicContact CB-CD1 4.36Å; A320-L384 HydrophobicContact CB-CD2 3.74Å; L369-L384 HydrophobicContact CD1-CD2 3.98Å; Y380-L384 HydrophobicContact CD2-CD1 4.41Å; Y380-L384 VanDerWaalsContact O-CB 3.3Å; Y380-L384 WeakPolarHBondContact O-CB 3.41Å; Y380-L384 WeakPolarHBondContact O-CG 3.35Å; Y380-L384 PolarHBondContact O-N 2.83Å
385L93.6Very high80.4Confident22 Ų2270.5 Ų70.512%0.11541%0.409CS..  trans-112.4131.6-174.1-58.9178.7000110.9L253 V314 M315 P317 K381 V383 R387 L388L253-L385 WeakPolarHBondContact CD1-O 3.36Å; V314-L385 HydrophobicContact CB-CD1 4.4Å; V314-L385 HydrophobicContact CG1-CD1 3.74Å; M315-L385 PolarHBondContact O-N 3.08Å; M315-L385 VanDerWaalsContact O-N 3.08Å; P317-L385 VanDerWaalsContact CD-O 3.31Å; P317-L385 WeakPolarHBondContact CD-O 3.47Å; K381-L385 VanDerWaalsContact O-CD2 3.28Å; K381-L385 WeakPolarHBondContact O-CD2 3.42Å; V383-L385 PolarHBondContact O-N 3.34Å; L385-R387 VanDerWaalsContact C-N 3.29Å; L385-L388 HydrophobicContact CD1-CD2 3.83Å
386Q90.4Very high77.3Confident37 Ų3775.8 Ų75.817%0.17343%0.432CS..SBendtrans-70.8-33.7171.2-160.763.57.800111.4R12 L253R12-Q386 PolarHBondContact O-NE2 2.59Å; L253-Q386 VanDerWaalsContact CD1-C 3.47Å; L253-Q386 VanDerWaalsContact CD1-O 3.32Å; L253-Q386 WeakPolarHBondContact CD1-O 3.15Å
387R91.5Very high76.4Confident50 Ų5077.9 Ų77.919%0.18944%0.439CS..SBendtrans-155.1148.5-178.1-55.9172.767.494.3-4.5108.9S14 K16 E283 L385S14-R387 PolarHBondContact O-NH1 3.34Å; K16-R387 VanDerWaalsContact CD-CZ 3.48Å; E283-R387 VanDerWaalsContact CD-CZ 3.5Å; E283-R387 IonicContact OE1-CZ 2.82Å; E283-R387 VanDerWaalsContact OE1-CZ 3.3Å; E283-R387 IonicContact OE1-NH1 3.47Å; E283-R387 IonicContact OE1-NH2 3.22Å; E283-R387 PolarHBondContact OE1-NH2 3.25Å; E283-R387 IonicContact OE2-CZ 2.85Å; E283-R387 IonicContact OE2-NH1 2.71Å; E283-R387 PolarHBondContact OE2-NH1 3.21Å; E283-R387 IonicContact OE2-NH2 2.95Å; E283-R387 PolarHBondContact OE2-NH2 3.17Å; L385-R387 VanDerWaalsContact C-N 3.29Å
388L92.2Very high75.4Confident15 Ų1577.9 Ų77.98%0.07942%0.421CS..BIsolated β-bridgetrans-72.2134.5168-69.6173.6000110.3L239 F246 G249 L252 V314 L385L239-L388 HydrophobicContact CD2-CD1 4.2Å; L239-L388 HydrophobicContact CD2-CD2 4.05Å; F246-L388 WeakPolarHBondContact O-CD1 3.02Å; G249-L388 PolarHBondContact N-O 2.9Å; G249-L388 VanDerWaalsContact N-O 3.11Å; G249-L388 PolarHBondContact O-N 2.02Å; L252-L388 HydrophobicContact CB-CD1 3.61Å; L252-L388 HydrophobicContact CD2-CD1 3.74Å; L252-L388 HydrophobicContact CG-CD1 4.29Å; V314-L388 HydrophobicContact CG1-CD2 4.45Å; L385-L388 HydrophobicContact CD1-CD2 3.83Å
389P85.8Confident74.5Confident64 Ų6479.8 Ų79.842%0.41642%0.419SS..PPolyproline II helixtrans-64.1150.5177.428.3-34000110.7K391P389-K391 PolarHBondContact O-N 3.18Å
390K72.4Confident73.4Confident117 Ų11780.1 Ų80.151%0.50942%0.42SS..PPolyproline II helixtrans-68.7127.9164.2-71-173.8177.2-176.20107.2G392 M393K390-G392 PolarHBondContact O-N 3.48Å; K390-M393 PolarHBondContact O-N 2.93Å; K390-M393 VanDerWaalsContact O-N 3.09Å
391K63.3Low72.2Confident141 Ų14183.1 Ų83.161%0.61344%0.439SS*.THydrogen-bonded Turntrans-50.4129.8173.4-84.7-171.1168.6-168.50109.5T240 P389T240-K391 PolarHBondContact O-NZ 3.12Å; P389-K391 PolarHBondContact O-N 3.18Å
392G47.9Very low70.9Confident86 Ų8681.3 Ų81.389%0.88744%0.436SS*.THydrogen-bonded Turntrans103.9-14-174.700000115K390K390-G392 PolarHBondContact O-N 3.48Å
393M39.3Very low69.3Low147 Ų14785 Ų8572%0.72445%0.449SS*.  trans-99.498.6165.3-75.7-176.8166.600109.1K390K390-M393 PolarHBondContact O-N 2.93Å; K390-M393 VanDerWaalsContact O-N 3.09Å
394A32.9Very low67.3Low91 Ų9191.3 Ų91.375%0.75248%0.483SS*.  trans-53.8139.8163.900000109.1K396A394-K396 PolarHBondContact O-N 3.27Å
395K38.3Very low64.9Low133 Ų13398.5 Ų98.558%0.57852%0.521SS*.  trans-53.8112174.1-68.3179.6-179.6-179.70108K381K381-K395 PolarHBondContact O-NZ 2.84Å
396K31.4Very low62.3Low279 Ų279105.5 Ų105.5100%1.21356%0.557SS**  trans-82.80161-89.4-169.7175.8-176.40109.3A394A394-K396 PolarHBondContact O-N 3.27Å

Retrieved 396 of 396 residues in 175.6 ms (Link to these results)

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