G7MF42_MACMU Loading...

N-acetylneuraminate lyase

AlphaFold DB , UniProt , Accession G7MF42, Species MACMU (Macaca mulatta, Rhesus macaque), Gene n/a, Length 320 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
1M39Very low70.6Confident247 Ų24795.2 Ų95.2100%1.21750%0.502SS*.  0114.20-66.6179.5-173.300106.8
2A33.4Very low73Confident94 Ų9487.3 Ų87.378%0.77746%0.461SS*.  trans-101.198179.400000109.3
3F44.9Very low75Confident100 Ų10080.6 Ų80.644%0.43943%0.425SS..  trans-151.9136.4152.2-82-66.1000107.4A137 P139F3-A137 VanDerWaalsContact CZ-O 3.22Å; F3-A137 WeakPolarHBondContact CZ-O 3.47Å; F3-P139 HydrophobicContact CE1-CG 4.1Å; F3-P139 HydrophobicContact CZ-CG 4.38Å
4P45.8Very low76.7Confident122 Ų12274.9 Ų74.979%0.79240%0.395SS*.  -131.3122.45231.5-12.3000115
5K59.1Low78.2Confident100 Ų10070 Ų7044%0.43537%0.369SS..SBendtrans-55.2144.6135.6-81.2-171.7172.4-163.70107K7 A105 D106K5-K7 PolarHBondContact O-N 2.7Å; K5-A105 PolarHBondContact NZ-O 3.21Å; K5-D106 IonicContact NZ-OD1 3.93Å; K5-D106 PolarHBondContact NZ-OD1 3.17Å
6K75.5Confident79.5Confident144 Ų14465.6 Ų65.663%0.62635%0.346SS*.PPolyproline II helixtrans-46.1140.3-179.1-78.5176.7178.9173.90110.9L8 D79 Q80K6-L8 PolarHBondContact O-N 3.29Å; K6-D79 IonicContact NZ-OD1 3.16Å; K6-D79 PolarHBondContact NZ-OD1 3.41Å; K6-Q80 PolarHBondContact O-NE2 2.85Å
7K88.3Confident80.6Confident85 Ų8561.8 Ų61.837%0.3733%0.326SS..PPolyproline II helixtrans-60.7134.3171.5178.8173.6176.4165.70110.2K5 Q9 Q193 F194K5-K7 PolarHBondContact O-N 2.7Å; K7-Q9 PolarHBondContact O-N 3.49Å; K7-Q193 WeakPolarHBondContact CE-O 3.22Å; K7-Q193 PolarHBondContact NZ-O 3.02Å; K7-F194 WeakPolarHBondContact CE-O 3.33Å; K7-F194 PolarHBondContact NZ-O 2.78Å
8L96.9Very high81.6Confident3 Ų358.4 Ų58.42%0.01631%0.308CS..PPolyproline II helixtrans-70.3121174.4-175.861.2000109.9K6 V12 N45 Q80 V82 Y141 A195 L197K6-L8 PolarHBondContact O-N 3.29Å; L8-V12 HydrophobicContact CD1-CG2 3.84Å; L8-V12 HydrophobicContact CD2-CG2 4.45Å; L8-V12 HydrophobicContact CG-CG2 4.15Å; L8-N45 HydrophobicContact CD1-CB 3.75Å; L8-Q80 VanDerWaalsContact CA-NE2 3.31Å; L8-Q80 HydrophobicContact CD1-CB 4.01Å; L8-Q80 HydrophobicContact CD1-CG 4.34Å; L8-V82 HydrophobicContact CD2-CG2 3.77Å; L8-Y141 HydrophobicContact CB-CE1 4.29Å; L8-Y141 WeakPolarHBondContact CB-OH 3.43Å; L8-Y141 HydrophobicContact CD2-CE1 4Å; L8-Y141 HydrophobicContact CD2-CE2 4.09Å; L8-A195 HydrophobicContact CB-CB 4.43Å; L8-A195 VanDerWaalsContact O-CB 3.3Å; L8-A195 WeakPolarHBondContact O-CB 3.49Å; L8-L197 HydrophobicContact CD2-CD1 3.53Å; L8-L197 HydrophobicContact CG-CD1 3.89Å
9Q97.3Very high82.5Confident121 Ų12155.4 Ų55.457%0.56529%0.292SS*.  trans-155.3167.2-173.865.5-179.19.800111.8K7 N45 T213K7-Q9 PolarHBondContact O-N 3.49Å; Q9-N45 PolarHBondContact O-ND2 2.83Å; Q9-T213 WeakPolarHBondContact CB-O 3.2Å
10G97.8Very high83.3Confident24 Ų2455.1 Ų55.125%0.24729%0.293CS..EExtended strand (participates in β ladder)trans70.1-150.3-17800000112.3T213 G214 A215G10-T213 PolarHBondContact N-O 3.23Å; G10-T213 VanDerWaalsContact N-O 3.13Å; G10-G214 CarbonylContact O-C 3.58Å; G10-G214 WeakPolarHBondContact O-CA 3.11Å; G10-A215 PolarHBondContact O-N 2.98Å
11L98.9Very high84Confident7 Ų758.8 Ų58.84%0.03731%0.308CS..EExtended strand (participates in β ladder)trans-77.8135.4179.8-59.5-174.9000112V43 N45 L204 A215 Y220 G224 T227 N228 L231L11-V43 HydrophobicContact CB-CG2 4.39Å; L11-V43 HydrophobicContact CD1-CG2 4.46Å; L11-N45 PolarHBondContact O-ND2 3.28Å; L11-L204 HydrophobicContact CD2-CD2 4.45Å; L11-A215 HydrophobicContact CD2-CB 4.22Å; L11-Y220 HydrophobicContact CB-CD2 4.44Å; L11-Y220 HydrophobicContact CB-CG 4.5Å; L11-Y220 HydrophobicContact CD1-CD1 4.35Å; L11-Y220 HydrophobicContact CD1-CG 4.38Å; L11-Y220 HydrophobicContact CD2-CD1 4.1Å; L11-Y220 HydrophobicContact CD2-CD2 4.2Å; L11-Y220 HydrophobicContact CD2-CE1 4.1Å; L11-Y220 HydrophobicContact CD2-CE2 4.17Å; L11-Y220 HydrophobicContact CD2-CG 4.19Å; L11-G224 WeakPolarHBondContact CD1-O 3.1Å; L11-T227 HydrophobicContact CD1-CG2 4.12Å; L11-T227 HydrophobicContact CD2-CG2 3.73Å; L11-N228 WeakPolarHBondContact CD1-OD1 3.36Å; L11-L231 HydrophobicContact CD2-CD1 3.63Å; L11-L231 HydrophobicContact CD2-CG 4.47Å; L11-L231 HydrophobicContact CG-CD1 3.71Å
12V98.9Very high86.8Confident1 Ų152.9 Ų52.91%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-124.6106.6171.3-169.50000107.9L8 A14 N45 F47 L197 A215 V216 G217 Y220L8-V12 HydrophobicContact CD1-CG2 3.84Å; L8-V12 HydrophobicContact CD2-CG2 4.45Å; L8-V12 HydrophobicContact CG-CG2 4.15Å; V12-A14 PolarHBondContact O-N 3.34Å; V12-N45 CarbonylContact C-O 3.55Å; V12-N45 WeakPolarHBondContact CA-O 3.19Å; V12-N45 HydrophobicContact CB-CB 4.16Å; V12-N45 HydrophobicContact CG1-CB 3.98Å; V12-N45 HydrophobicContact CG2-CB 3.87Å; V12-F47 HydrophobicContact CG1-CB 3.87Å; V12-L197 HydrophobicContact CG2-CD1 4.3Å; V12-A215 WeakPolarHBondContact CB-O 3.41Å; V12-A215 PolarHBondContact N-O 3.06Å; V12-V216 HydrophobicContact CB-CB 4.21Å; V12-V216 HydrophobicContact CB-CG1 4.3Å; V12-V216 HydrophobicContact CB-CG2 3.62Å; V12-V216 HydrophobicContact CG1-CG1 4.29Å; V12-V216 HydrophobicContact CG1-CG2 4.04Å; V12-V216 HydrophobicContact CG2-CG2 3.88Å; V12-V216 VanDerWaalsContact O-CA 3.3Å; V12-V216 WeakPolarHBondContact O-CA 3.48Å; V12-G217 PolarHBondContact O-N 2.88Å; V12-Y220 WeakPolarHBondContact O-CD2 3.42Å
13A98.9Very high89.9Confident0 Ų049.2 Ų49.20%025%0.253CS..EExtended strand (participates in β ladder)trans-71.8122.2178.300000110.1T15 L37 V43 N45 I46 F47A13-T15 PolarHBondContact O-N 3.42Å; A13-T15 VanDerWaalsContact O-N 3.12Å; A13-L37 HydrophobicContact CB-CD2 4Å; A13-V43 HydrophobicContact CB-CG1 3.79Å; A13-N45 PolarHBondContact N-O 3.05Å; A13-I46 CarbonylContact O-C 3.59Å; A13-I46 WeakPolarHBondContact O-CA 3.31Å; A13-F47 PolarHBondContact O-N 2.85Å
14A98.9Very high92.4Very high1 Ų149.7 Ų49.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-72.7100.716700000107.9V12 F47 T52 V216 G217 N221V12-A14 PolarHBondContact O-N 3.34Å; A14-F47 WeakPolarHBondContact CA-O 3.44Å; A14-F47 HydrophobicContact CB-CD1 4.44Å; A14-T52 VanDerWaalsContact O-CG2 3.27Å; A14-T52 WeakPolarHBondContact O-CG2 3.47Å; A14-V216 HydrophobicContact CB-CG1 4.37Å; A14-G217 PolarHBondContact N-O 2.78Å; A14-N221 PolarHBondContact O-ND2 3.42Å
15T98.9Very high95Very high1 Ų144.4 Ų44.41%0.00622%0.222CC..  trans-72.1145.4-168.150.30000111.5A13 L37 I46 F47 T52 G53 W70A13-T15 PolarHBondContact O-N 3.42Å; A13-T15 VanDerWaalsContact O-N 3.12Å; T15-L37 HydrophobicContact CG2-CD1 4.02Å; T15-I46 HydrophobicContact CG2-CB 3.76Å; T15-I46 HydrophobicContact CG2-CD1 4.42Å; T15-I46 HydrophobicContact CG2-CG2 3.71Å; T15-F47 PolarHBondContact N-O 3.1Å; T15-T52 CarbonylContact O-C 3.55Å; T15-G53 WeakPolarHBondContact O-CA 3.22Å; T15-G53 PolarHBondContact O-N 2.83Å; T15-G53 VanDerWaalsContact O-N 3.13Å; T15-W70 HydrophobicContact CG2-CH2 3.58Å; T15-W70 HydrophobicContact CG2-CZ2 3.84Å; T15-W70 HydrophobicContact CG2-CZ3 3.98Å
16I98.9Very high96.8Very high0 Ų041 Ų410%021%0.208CC..  trans-77.2146.4169.7-68157.4000108.4P18 Y33 T52 T266 K267 M270 M278I16-P18 VanDerWaalsContact O-CD 3.28Å; I16-P18 WeakPolarHBondContact O-CD 3.41Å; I16-Y33 HydrophobicContact CB-CE1 4.19Å; I16-T52 HydrophobicContact CG1-CG2 3.78Å; I16-T266 HydrophobicContact CD1-CG2 4.09Å; I16-T266 HydrophobicContact CG1-CG2 4.44Å; I16-K267 HydrophobicContact CG2-CD 4.1Å; I16-K267 HydrophobicContact CG2-CG 3.73Å; I16-M270 HydrophobicContact CD1-CB 3.42Å; I16-M270 VanDerWaalsContact CD1-CB 3.42Å; I16-M270 HydrophobicContact CD1-CG 3.75Å; I16-M278 HydrophobicContact CB-SD 3.99Å; I16-M278 HydrophobicContact CD1-CG 4.3Å; I16-M278 HydrophobicContact CD1-SD 4.29Å; I16-M278 HydrophobicContact CG2-CB 4.14Å; I16-M278 HydrophobicContact CG2-CG 4.15Å; I16-M278 HydrophobicContact CG2-SD 3.73Å
17T98.9Very high98Very high1 Ų137 Ų371%0.00619%0.191CC..  trans-87.6107.7165.5-63.30000108.6M19 I25 G53 L58 K267T17-M19 HydrophobicContact CG2-CE 4.19Å; T17-M19 PolarHBondContact O-N 3.31Å; T17-I25 HydrophobicContact CG2-CD1 4.04Å; T17-I25 HydrophobicContact CG2-CG1 3.85Å; T17-I25 HydrophobicContact CG2-CG2 4.08Å; T17-G53 WeakPolarHBondContact CB-O 3.25Å; T17-G53 PolarHBondContact OG1-O 2.92Å; T17-L58 HydrophobicContact CG2-CD1 4.19Å; T17-L58 HydrophobicContact CG2-CD2 4.44Å; T17-K267 WeakPolarHBondContact O-CE 3.47Å; T17-K267 PolarHBondContact O-NZ 2.88Å
18P98.9Very high98.5Very high0 Ų037.8 Ų37.80%021%0.207CC..  trans-64.5137.1176.2-17.533.7000109.2I16 N26 V29 I30 Y33 M278I16-P18 VanDerWaalsContact O-CD 3.28Å; I16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-N26 HydrophobicContact CB-CB 4.17Å; P18-N26 PolarHBondContact O-N 2.8Å; P18-V29 HydrophobicContact CB-CG2 3.48Å; P18-V29 VanDerWaalsContact CB-CG2 3.48Å; P18-V29 HydrophobicContact CG-CG2 3.75Å; P18-I30 HydrophobicContact CG-CG1 4.28Å; P18-Y33 HydrophobicContact CG-CD1 4.26Å; P18-M278 WeakPolarHBondContact CA-O 3.37Å; P18-M278 HydrophobicContact CB-CE 4.26Å; P18-M278 HydrophobicContact CB-SD 4.44Å; P18-M278 HydrophobicContact CG-CE 4.03Å; P18-M278 HydrophobicContact CG-SD 4.1Å
19M98.9Very high98.5Very high2 Ų238.2 Ų38.21%0.0121%0.209CC..BIsolated β-bridgetrans-126.1151.1178.1-69.9173.7178.100110.4T17 E24 L58 M278 G279 P280 R282T17-M19 HydrophobicContact CG2-CE 4.19Å; T17-M19 PolarHBondContact O-N 3.31Å; M19-E24 CarbonylContact C-O 3.55Å; M19-E24 WeakPolarHBondContact CA-O 3.49Å; M19-E24 WeakPolarHBondContact CB-O 3.46Å; M19-L58 HydrophobicContact CE-CD2 3.77Å; M19-M278 PolarHBondContact N-O 2.97Å; M19-G279 WeakPolarHBondContact O-CA 3.34Å; M19-P280 WeakPolarHBondContact CB-O 3.3Å; M19-R282 HydrophobicContact CE-CB 3.88Å; M19-R282 HydrophobicContact SD-CB 3.98Å
20T98.8Very high98.6Very high48 Ų4832.4 Ų32.429%0.29418%0.183SC..  trans-77.1165.716745.10000110N22 G23 E24 N26 P280T20-N22 WeakPolarHBondContact CB-OD1 3.44Å; T20-N22 PolarHBondContact O-N 3.13Å; T20-N22 VanDerWaalsContact O-N 3.13Å; T20-N22 PolarHBondContact OG1-OD1 3.47Å; T20-G23 PolarHBondContact O-N 2.88Å; T20-E24 PolarHBondContact N-O 3.21Å; T20-E24 WeakPolarHBondContact OG1-CB 3.4Å; T20-E24 PolarHBondContact OG1-N 3.26Å; T20-E24 PolarHBondContact OG1-O 3.26Å; T20-E24 VanDerWaalsContact OG1-O 3.08Å; T20-N26 HydrophobicContact CG2-CB 3.93Å; T20-P280 WeakPolarHBondContact O-CD 3.25Å; T20-P280 WeakPolarHBondContact O-CG 3.42Å
21E98.1Very high98.7Very high134 Ų13431.9 Ų31.963%0.62618%0.177SC*.THydrogen-bonded Turntrans-63.3-19.7-178.3-69.1-67.1145.600113.6G23 K287E21-G23 VanDerWaalsContact C-N 3.33Å; E21-K287 IonicContact OE1-NZ 3.55Å; E21-K287 PolarHBondContact OE1-NZ 2.81Å; E21-K287 VanDerWaalsContact OE1-NZ 3.1Å; E21-K287 IonicContact OE2-NZ 2.89Å; E21-K287 PolarHBondContact OE2-NZ 2.97Å
22N97.6Very high98.7Very high123 Ų12336.6 Ų36.666%0.65820%0.199SC*.THydrogen-bonded Turntrans-84.4-0.6171.970-17.9000114T20 E24T20-N22 WeakPolarHBondContact CB-OD1 3.44Å; T20-N22 PolarHBondContact O-N 3.13Å; T20-N22 VanDerWaalsContact O-N 3.13Å; T20-N22 PolarHBondContact OG1-OD1 3.47Å; N22-E24 PolarHBondContact OD1-N 3.13Å
23G96.9Very high98.7Very high17 Ų1736.5 Ų36.518%0.17520%0.198CC..SBendtrans901.6175.900000116T20 E21 R282T20-G23 PolarHBondContact O-N 2.88Å; E21-G23 VanDerWaalsContact C-N 3.33Å; G23-R282 PolarHBondContact O-NH2 2.79Å
24E98.8Very high98.7Very high109 Ų10936.5 Ų36.551%0.50920%0.198SC..  trans-74.2156.4170.9-63.1-59.3129.900111.1M19 T20 N22 N26M19-E24 CarbonylContact C-O 3.55Å; M19-E24 WeakPolarHBondContact CA-O 3.49Å; M19-E24 WeakPolarHBondContact CB-O 3.46Å; T20-E24 PolarHBondContact N-O 3.21Å; T20-E24 WeakPolarHBondContact OG1-CB 3.4Å; T20-E24 PolarHBondContact OG1-N 3.26Å; T20-E24 PolarHBondContact OG1-O 3.26Å; T20-E24 VanDerWaalsContact OG1-O 3.08Å; N22-E24 PolarHBondContact OD1-N 3.13Å; E24-N26 PolarHBondContact O-N 2.94Å
25I98.9Very high98.7Very high12 Ų1240 Ų406%0.06222%0.217CC..BIsolated β-bridgetrans-69.6129.1176.9-62.2178.7000109.9T17 F27 L58 E62 V66T17-I25 HydrophobicContact CG2-CD1 4.04Å; T17-I25 HydrophobicContact CG2-CG1 3.85Å; T17-I25 HydrophobicContact CG2-CG2 4.08Å; I25-F27 HydrophobicContact CB-CD2 4.38Å; I25-F27 HydrophobicContact CB-CE1 4.08Å; I25-F27 HydrophobicContact CB-CE2 3.83Å; I25-F27 HydrophobicContact CB-CZ 3.66Å; I25-F27 HydrophobicContact CD1-CE1 4.47Å; I25-F27 HydrophobicContact CD1-CZ 4.23Å; I25-F27 HydrophobicContact CG1-CZ 4.5Å; I25-F27 HydrophobicContact CG2-CD1 3.74Å; I25-F27 HydrophobicContact CG2-CD2 4.18Å; I25-F27 HydrophobicContact CG2-CE1 3.52Å; I25-F27 HydrophobicContact CG2-CE2 3.98Å; I25-F27 HydrophobicContact CG2-CG 4.07Å; I25-F27 HydrophobicContact CG2-CZ 3.65Å; I25-F27 WeakPolarHBondContact O-CD2 3.44Å; I25-F27 PolarHBondContact O-N 3.01Å; I25-L58 HydrophobicContact CD1-CD1 4.12Å; I25-L58 HydrophobicContact CD1-CD2 4.1Å; I25-L58 HydrophobicContact CG1-CD2 4.41Å; I25-E62 HydrophobicContact CD1-CB 3.71Å; I25-E62 HydrophobicContact CD1-CG 4.03Å; I25-V66 HydrophobicContact CD1-CB 4.18Å; I25-V66 HydrophobicContact CG2-CG2 4.15Å
26N98.8Very high98.7Very high27 Ų2741.3 Ų41.314%0.14422%0.222CC..  trans-90.581.2174.4-172.12.2000110.8P18 T20 E24 S28 V29P18-N26 HydrophobicContact CB-CB 4.17Å; P18-N26 PolarHBondContact O-N 2.8Å; T20-N26 HydrophobicContact CG2-CB 3.93Å; E24-N26 PolarHBondContact O-N 2.94Å; N26-S28 PolarHBondContact O-N 3.37Å; N26-S28 PolarHBondContact OD1-N 3.38Å; N26-S28 PolarHBondContact OD1-OG 3.3Å; N26-V29 HydrophobicContact CB-CG2 4.44Å; N26-V29 WeakPolarHBondContact O-CG2 3.28Å
27F98.8Very high98.7Very high62 Ų6241.3 Ų41.327%0.27222%0.222SC..G310 helixtrans-61.3-31.3179.4-58.3-78.4000113.1I25 V29 I30 Q65 V66 E69I25-F27 HydrophobicContact CB-CD2 4.38Å; I25-F27 HydrophobicContact CB-CE1 4.08Å; I25-F27 HydrophobicContact CB-CE2 3.83Å; I25-F27 HydrophobicContact CB-CZ 3.66Å; I25-F27 HydrophobicContact CD1-CE1 4.47Å; I25-F27 HydrophobicContact CD1-CZ 4.23Å; I25-F27 HydrophobicContact CG1-CZ 4.5Å; I25-F27 HydrophobicContact CG2-CD1 3.74Å; I25-F27 HydrophobicContact CG2-CD2 4.18Å; I25-F27 HydrophobicContact CG2-CE1 3.52Å; I25-F27 HydrophobicContact CG2-CE2 3.98Å; I25-F27 HydrophobicContact CG2-CG 4.07Å; I25-F27 HydrophobicContact CG2-CZ 3.65Å; I25-F27 WeakPolarHBondContact O-CD2 3.44Å; I25-F27 PolarHBondContact O-N 3.01Å; F27-V29 PolarHBondContact O-N 3.49Å; F27-I30 HydrophobicContact CD1-CD1 4.4Å; F27-I30 PolarHBondContact O-N 3.18Å; F27-I30 VanDerWaalsContact O-N 3.08Å; F27-Q65 HydrophobicContact CE1-CB 3.92Å; F27-Q65 HydrophobicContact CZ-CB 3.91Å; F27-V66 HydrophobicContact CE1-CB 4.07Å; F27-V66 HydrophobicContact CE1-CG2 4.43Å; F27-E69 HydrophobicContact CB-CG 4.37Å; F27-E69 HydrophobicContact CD1-CB 4.21Å; F27-E69 HydrophobicContact CD1-CG 4.36Å
28S98.7Very high98.7Very high100 Ų10043.6 Ų43.670%0.69924%0.236SC*.G310 helixtrans-59.6-25.4-170.771.90000114.4N26N26-S28 PolarHBondContact O-N 3.37Å; N26-S28 PolarHBondContact OD1-N 3.38Å; N26-S28 PolarHBondContact OD1-OG 3.3Å
29V98.8Very high98.6Very high12 Ų1251.5 Ų51.57%0.07327%0.27CS..G310 helixtrans-96.4-6.2-177.2-59.60000113.8P18 N26 F27 G31 Q32 Y33 I276 P277P18-V29 HydrophobicContact CB-CG2 3.48Å; P18-V29 VanDerWaalsContact CB-CG2 3.48Å; P18-V29 HydrophobicContact CG-CG2 3.75Å; N26-V29 HydrophobicContact CB-CG2 4.44Å; N26-V29 WeakPolarHBondContact O-CG2 3.28Å; F27-V29 PolarHBondContact O-N 3.49Å; V29-G31 VanDerWaalsContact C-N 3.33Å; V29-G31 PolarHBondContact O-N 2.96Å; V29-Q32 PolarHBondContact O-N 3.31Å; V29-Y33 WeakPolarHBondContact O-CB 3.27Å; V29-Y33 PolarHBondContact O-N 3.34Å; V29-I276 HydrophobicContact CB-CG2 3.77Å; V29-I276 HydrophobicContact CG1-CG2 4.35Å; V29-I276 HydrophobicContact CG2-CG2 4.13Å; V29-P277 HydrophobicContact CG1-CG 4.12Å
30I98.9Very high98.6Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-63.8-38.6-177.4-69.6177.5000111.3P18 F27 Q32 Y33 V34 V66 E69 W70 K73P18-I30 HydrophobicContact CG-CG1 4.28Å; F27-I30 HydrophobicContact CD1-CD1 4.4Å; F27-I30 PolarHBondContact O-N 3.18Å; F27-I30 VanDerWaalsContact O-N 3.08Å; I30-Q32 PolarHBondContact O-N 3.38Å; I30-Y33 WeakPolarHBondContact O-CB 3.38Å; I30-Y33 PolarHBondContact O-N 3.17Å; I30-V34 WeakPolarHBondContact O-CG2 3.25Å; I30-V34 PolarHBondContact O-N 3.24Å; I30-V66 HydrophobicContact CD1-CG2 3.68Å; I30-E69 HydrophobicContact CB-CG 3.83Å; I30-E69 HydrophobicContact CD1-CB 4.1Å; I30-E69 HydrophobicContact CD1-CG 3.75Å; I30-E69 HydrophobicContact CG1-CG 4.31Å; I30-E69 HydrophobicContact CG2-CG 3.89Å; I30-W70 HydrophobicContact CG1-CZ2 4.38Å; I30-W70 HydrophobicContact CG2-CD2 3.62Å; I30-W70 HydrophobicContact CG2-CE3 3.65Å; I30-W70 HydrophobicContact CG2-CG 4.17Å; I30-W70 HydrophobicContact CG2-CH2 4.22Å; I30-W70 HydrophobicContact CG2-CZ2 4.17Å; I30-W70 HydrophobicContact CG2-CZ3 3.97Å; I30-K73 HydrophobicContact CG2-CB 4.39Å; I30-K73 HydrophobicContact CG2-CG 4.35Å
31G98.8Very high98.6Very high13 Ų1353.7 Ų53.713%0.13428%0.277CS..Hα-helixtrans-59.3-45.4174.300000113.2V29 Y33 V34 D35V29-G31 VanDerWaalsContact C-N 3.33Å; V29-G31 PolarHBondContact O-N 2.96Å; G31-Y33 VanDerWaalsContact C-N 3.3Å; G31-Y33 PolarHBondContact O-N 2.97Å; G31-V34 PolarHBondContact O-N 3.41Å; G31-D35 PolarHBondContact O-N 3.32Å; G31-D35 VanDerWaalsContact O-N 3.16Å
32Q98.8Very high98.6Very high105 Ų10548.9 Ų48.949%0.49126%0.264SS..Hα-helixtrans-64.3-37175.7-173.5-175.73.500111.6V29 I30 D35 Y36 I276V29-Q32 PolarHBondContact O-N 3.31Å; I30-Q32 PolarHBondContact O-N 3.38Å; Q32-D35 PolarHBondContact O-N 3.4Å; Q32-Y36 WeakPolarHBondContact O-CB 3.34Å; Q32-Y36 PolarHBondContact O-N 2.91Å; Q32-I276 HydrophobicContact CB-CD1 4.44Å; Q32-I276 HydrophobicContact CG-CD1 3.88Å; Q32-I276 HydrophobicContact CG-CG1 4.13Å
33Y98.9Very high98.7Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-65.9-44.1177.4-165.2174000111.5I16 P18 V29 I30 G31 D35 Y36 L37 W70 N221 M270 M278I16-Y33 HydrophobicContact CB-CE1 4.19Å; P18-Y33 HydrophobicContact CG-CD1 4.26Å; V29-Y33 WeakPolarHBondContact O-CB 3.27Å; V29-Y33 PolarHBondContact O-N 3.34Å; I30-Y33 WeakPolarHBondContact O-CB 3.38Å; I30-Y33 PolarHBondContact O-N 3.17Å; G31-Y33 VanDerWaalsContact C-N 3.3Å; G31-Y33 PolarHBondContact O-N 2.97Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.92Å; Y33-Y36 PolarHBondContact O-N 3.08Å; Y33-L37 HydrophobicContact CD2-CD1 3.87Å; Y33-L37 HydrophobicContact CD2-CD2 4.35Å; Y33-L37 HydrophobicContact CD2-CG 3.73Å; Y33-L37 HydrophobicContact CE2-CD1 3.77Å; Y33-L37 HydrophobicContact CE2-CD2 3.8Å; Y33-L37 HydrophobicContact CE2-CG 3.66Å; Y33-L37 WeakPolarHBondContact O-CG 3.5Å; Y33-L37 PolarHBondContact O-N 3.07Å; Y33-W70 AromaticContact CD1-CH2 3.43Å; Y33-W70 HydrophobicContact CD1-CH2 3.43Å; Y33-W70 VanDerWaalsContact CD1-CH2 3.43Å; Y33-W70 AromaticContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD2-CH2 4.39Å; Y33-W70 AromaticContact CE1-CH2 3.9Å; Y33-W70 HydrophobicContact CE1-CH2 3.9Å; Y33-W70 HydrophobicContact CE1-CZ2 4.13Å; Y33-W70 AromaticContact CG-CH2 3.72Å; Y33-W70 HydrophobicContact CG-CH2 3.72Å; Y33-N221 WeakPolarHBondContact OH-CB 3.48Å; Y33-N221 PolarHBondContact OH-OD1 3.22Å; Y33-M270 HydrophobicContact CD2-CE 3.55Å; Y33-M270 HydrophobicContact CE2-CE 3.13Å; Y33-M270 HydrophobicContact CE2-SD 4.21Å; Y33-M270 HydrophobicContact CG-CE 4.44Å; Y33-M278 HydrophobicContact CD1-CE 4.06Å; Y33-M278 HydrophobicContact CD1-SD 4.12Å; Y33-M278 HydrophobicContact CE1-CE 4.2Å; Y33-M278 HydrophobicContact CE1-SD 3.67Å
34V98.9Very high98.8Very high0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-55.2-48.9172.4171.50000110.8I30 G31 Y36 L37 V38 W70 K73 K77 L78I30-V34 WeakPolarHBondContact O-CG2 3.25Å; I30-V34 PolarHBondContact O-N 3.24Å; G31-V34 PolarHBondContact O-N 3.41Å; V34-Y36 VanDerWaalsContact C-N 3.31Å; V34-Y36 PolarHBondContact O-N 3.11Å; V34-L37 PolarHBondContact O-N 2.9Å; V34-V38 WeakPolarHBondContact O-CG2 3.3Å; V34-V38 PolarHBondContact O-N 3.33Å; V34-W70 HydrophobicContact CG2-CE3 3.71Å; V34-W70 HydrophobicContact CG2-CZ3 3.54Å; V34-K73 HydrophobicContact CG2-CB 4.01Å; V34-K77 HydrophobicContact CG1-CB 3.96Å; V34-K77 HydrophobicContact CG1-CD 3.85Å; V34-L78 HydrophobicContact CG1-CD1 4.05Å; V34-L78 HydrophobicContact CG1-CG 4.05Å; V34-L78 HydrophobicContact CG2-CD1 4.23Å
35D98.9Very high98.8Very high73 Ų7343.2 Ų43.239%0.3923%0.227SC..Hα-helixtrans-60.7-41.3179.7-72.7-32.5000112.2G31 Q32 Y33 V38 K39 K77G31-D35 PolarHBondContact O-N 3.32Å; G31-D35 VanDerWaalsContact O-N 3.16Å; Q32-D35 PolarHBondContact O-N 3.4Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.92Å; D35-V38 PolarHBondContact O-N 2.92Å; D35-K39 WeakPolarHBondContact O-CB 3.36Å; D35-K39 PolarHBondContact O-N 3.18Å; D35-K77 VanDerWaalsContact CG-NZ 3.27Å; D35-K77 WeakPolarHBondContact OD1-CD 3.49Å; D35-K77 VanDerWaalsContact OD1-CE 3.3Å; D35-K77 WeakPolarHBondContact OD1-CE 3.35Å; D35-K77 IonicContact OD1-NZ 3.3Å; D35-K77 PolarHBondContact OD1-NZ 3.42Å; D35-K77 IonicContact OD2-NZ 2.81Å; D35-K77 PolarHBondContact OD2-NZ 2.89Å; D35-K77 VanDerWaalsContact OD2-NZ 3.14Å
36Y98.9Very high98.8Very high30 Ų3042.6 Ų42.612%0.11822%0.224CC..Hα-helixtrans-64-45.9176.8176.2-94000112.8Q32 Y33 V34 V38 E40 Q41 N221 M270 V273 S274 I276Q32-Y36 WeakPolarHBondContact O-CB 3.34Å; Q32-Y36 PolarHBondContact O-N 2.91Å; Y33-Y36 PolarHBondContact O-N 3.08Å; V34-Y36 VanDerWaalsContact C-N 3.31Å; V34-Y36 PolarHBondContact O-N 3.11Å; Y36-V38 VanDerWaalsContact C-N 3.33Å; Y36-V38 PolarHBondContact O-N 2.99Å; Y36-E40 HydrophobicContact CD2-CB 3.83Å; Y36-E40 HydrophobicContact CD2-CG 3.61Å; Y36-E40 HydrophobicContact CE2-CB 3.74Å; Y36-E40 HydrophobicContact CE2-CG 3.84Å; Y36-E40 HydrophobicContact CG-CB 4.44Å; Y36-E40 HydrophobicContact CG-CG 4.43Å; Y36-E40 WeakPolarHBondContact O-CA 3.39Å; Y36-E40 WeakPolarHBondContact O-CB 3.22Å; Y36-E40 PolarHBondContact O-N 2.69Å; Y36-Q41 HydrophobicContact CD1-CG 4.18Å; Y36-Q41 HydrophobicContact CE1-CG 3.68Å; Y36-Q41 PolarHBondContact O-N 3.1Å; Y36-Q41 PolarHBondContact OH-NE2 2.91Å; Y36-N221 VanDerWaalsContact CE1-O 3.3Å; Y36-N221 WeakPolarHBondContact CE1-O 3.3Å; Y36-M270 HydrophobicContact CD1-CE 3.53Å; Y36-M270 HydrophobicContact CE1-CE 3.51Å; Y36-M270 HydrophobicContact CE1-SD 4.12Å; Y36-M270 HydrophobicContact CG-CE 4.5Å; Y36-V273 PolarHBondContact OH-O 2.88Å; Y36-S274 VanDerWaalsContact CZ-CB 3.43Å; Y36-I276 HydrophobicContact CG-CD1 4.12Å
37L98.9Very high98.8Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-59.2-45.7177.3-74172.5000111.2A13 T15 Y33 V34 Q41 G42 V43 I46 W70 N221A13-L37 HydrophobicContact CB-CD2 4Å; T15-L37 HydrophobicContact CG2-CD1 4.02Å; Y33-L37 HydrophobicContact CD2-CD1 3.87Å; Y33-L37 HydrophobicContact CD2-CD2 4.35Å; Y33-L37 HydrophobicContact CD2-CG 3.73Å; Y33-L37 HydrophobicContact CE2-CD1 3.77Å; Y33-L37 HydrophobicContact CE2-CD2 3.8Å; Y33-L37 HydrophobicContact CE2-CG 3.66Å; Y33-L37 WeakPolarHBondContact O-CG 3.5Å; Y33-L37 PolarHBondContact O-N 3.07Å; V34-L37 PolarHBondContact O-N 2.9Å; L37-Q41 CarbonylContact O-C 3.58Å; L37-Q41 WeakPolarHBondContact O-CB 3.34Å; L37-Q41 PolarHBondContact O-N 2.95Å; L37-G42 PolarHBondContact O-N 3.32Å; L37-V43 HydrophobicContact CB-CB 4.39Å; L37-V43 PolarHBondContact O-N 2.78Å; L37-I46 HydrophobicContact CD1-CG2 3.78Å; L37-W70 HydrophobicContact CD1-CZ3 4.46Å; L37-N221 HydrophobicContact CD2-CB 4.42Å
38V98.8Very high98.8Very high49 Ų4938.7 Ų38.730%0.29721%0.205SC..Hα-helixtrans-68.8-51-179173.70000110.9V34 D35 Y36 G42 K77 L78V34-V38 WeakPolarHBondContact O-CG2 3.3Å; V34-V38 PolarHBondContact O-N 3.33Å; D35-V38 PolarHBondContact O-N 2.92Å; Y36-V38 VanDerWaalsContact C-N 3.33Å; Y36-V38 PolarHBondContact O-N 2.99Å; V38-G42 WeakPolarHBondContact O-CA 3.4Å; V38-G42 PolarHBondContact O-N 3.19Å; V38-K77 HydrophobicContact CG2-CB 4.45Å; V38-L78 HydrophobicContact CG2-CD2 3.66Å; V38-L78 HydrophobicContact CG2-CG 4.28Å
39K98.6Very high98.8Very high166 Ų16634 Ų3472%0.72217%0.172SC*.Hα-helixtrans-80.5-50.1-169.6-174.8-176.5168.4-1680113.1D35D35-K39 WeakPolarHBondContact O-CB 3.36Å; D35-K39 PolarHBondContact O-N 3.18Å
40E98.5Very high98.8Very high83 Ų8333.5 Ų33.539%0.38817%0.17SC..THydrogen-bonded Turntrans-90-34.6-170.8-54.2-54.3149.400111.5Y36Y36-E40 HydrophobicContact CD2-CB 3.83Å; Y36-E40 HydrophobicContact CD2-CG 3.61Å; Y36-E40 HydrophobicContact CE2-CB 3.74Å; Y36-E40 HydrophobicContact CE2-CG 3.84Å; Y36-E40 HydrophobicContact CG-CB 4.44Å; Y36-E40 HydrophobicContact CG-CG 4.43Å; Y36-E40 WeakPolarHBondContact O-CA 3.39Å; Y36-E40 WeakPolarHBondContact O-CB 3.22Å; Y36-E40 PolarHBondContact O-N 2.69Å
41Q98.7Very high98.8Very high12 Ų1235.7 Ų35.76%0.05618%0.184CC..SBendtrans-98.5-15.8-177.7-56.1-59.4-30.400113.8Y36 L37 V43 N221 Y222 G224 K225 N228Y36-Q41 HydrophobicContact CD1-CG 4.18Å; Y36-Q41 HydrophobicContact CE1-CG 3.68Å; Y36-Q41 PolarHBondContact O-N 3.1Å; Y36-Q41 PolarHBondContact OH-NE2 2.91Å; L37-Q41 CarbonylContact O-C 3.58Å; L37-Q41 WeakPolarHBondContact O-CB 3.34Å; L37-Q41 PolarHBondContact O-N 2.95Å; Q41-V43 HydrophobicContact CB-CB 4.48Å; Q41-V43 HydrophobicContact CB-CG2 3.88Å; Q41-V43 PolarHBondContact O-N 3.13Å; Q41-N221 WeakPolarHBondContact CG-O 3.41Å; Q41-Y222 PolarHBondContact NE2-O 3.03Å; Q41-Y222 PolarHBondContact OE1-O 2.92Å; Q41-G224 CarbonylContact O-C 3.58Å; Q41-K225 WeakPolarHBondContact O-CA 3.27Å; Q41-K225 PolarHBondContact O-N 3.22Å; Q41-K225 VanDerWaalsContact OE1-N 3.17Å; Q41-N228 PolarHBondContact O-ND2 2.99Å; Q41-N228 VanDerWaalsContact O-ND2 3.13Å
42G98.6Very high98.8Very high34 Ų3435.8 Ų35.835%0.35118%0.182SC..  trans62.827.3-174.900000112.9L37 V38 N228L37-G42 PolarHBondContact O-N 3.32Å; V38-G42 WeakPolarHBondContact O-CA 3.4Å; V38-G42 PolarHBondContact O-N 3.19Å; G42-N228 PolarHBondContact O-ND2 3.4Å
43V98.8Very high98.8Very high0 Ų030.8 Ų30.80%016%0.159CC..  trans-93.6126.8178.7175.50000109.1L11 A13 L37 Q41 N45L11-V43 HydrophobicContact CB-CG2 4.39Å; L11-V43 HydrophobicContact CD1-CG2 4.46Å; A13-V43 HydrophobicContact CB-CG1 3.79Å; L37-V43 HydrophobicContact CB-CB 4.39Å; L37-V43 PolarHBondContact O-N 2.78Å; Q41-V43 HydrophobicContact CB-CB 4.48Å; Q41-V43 HydrophobicContact CB-CG2 3.88Å; Q41-V43 PolarHBondContact O-N 3.13Å; V43-N45 WeakPolarHBondContact CG1-O 3.3Å
44K98.5Very high98.8Very high119 Ų11931.1 Ų31.152%0.51716%0.16SC..  trans-109-9.5-176.6-57.3-172.8-176.1179.70114L78 D79 Q80K44-L78 CarbonylContact O-C 3.55Å; K44-L78 WeakPolarHBondContact O-CA 3.17Å; K44-L78 WeakPolarHBondContact O-CB 3.35Å; K44-L78 WeakPolarHBondContact O-CD2 3.16Å; K44-D79 HydrophobicContact CB-CB 4.1Å; K44-D79 WeakPolarHBondContact CD-OD2 3.26Å; K44-D79 PolarHBondContact O-N 3.39Å; K44-Q80 PolarHBondContact O-N 3.5Å
45N98.9Very high98.8Very high10 Ų1031.2 Ų31.25%0.05316%0.161CC..EExtended strand (participates in β ladder)trans-128.6145.5-177.4-43.3-77.1000109.9L8 Q9 L11 V12 A13 V43 Q80L8-N45 HydrophobicContact CD1-CB 3.75Å; Q9-N45 PolarHBondContact O-ND2 2.83Å; L11-N45 PolarHBondContact O-ND2 3.28Å; V12-N45 CarbonylContact C-O 3.55Å; V12-N45 WeakPolarHBondContact CA-O 3.19Å; V12-N45 HydrophobicContact CB-CB 4.16Å; V12-N45 HydrophobicContact CG1-CB 3.98Å; V12-N45 HydrophobicContact CG2-CB 3.87Å; A13-N45 PolarHBondContact N-O 3.05Å; V43-N45 WeakPolarHBondContact CG1-O 3.3Å; N45-Q80 VanDerWaalsContact CA-O 3.32Å; N45-Q80 WeakPolarHBondContact CA-O 3.12Å; N45-Q80 HydrophobicContact CB-CB 4.46Å
46I98.9Very high98.8Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-130.1149.2177.363174.1000112.4A13 T15 L37 V48 W70 L78 Q80 V81 V82A13-I46 CarbonylContact O-C 3.59Å; A13-I46 WeakPolarHBondContact O-CA 3.31Å; T15-I46 HydrophobicContact CG2-CB 3.76Å; T15-I46 HydrophobicContact CG2-CD1 4.42Å; T15-I46 HydrophobicContact CG2-CG2 3.71Å; L37-I46 HydrophobicContact CD1-CG2 3.78Å; I46-V48 HydrophobicContact CD1-CG2 3.72Å; I46-V48 HydrophobicContact CG1-CG2 4Å; I46-W70 HydrophobicContact CD1-CB 4.19Å; I46-W70 HydrophobicContact CD1-CD2 3.85Å; I46-W70 HydrophobicContact CD1-CE3 3.31Å; I46-W70 HydrophobicContact CD1-CG 4.24Å; I46-W70 HydrophobicContact CD1-CZ3 3.93Å; I46-L78 HydrophobicContact CD1-CD1 3.57Å; I46-L78 HydrophobicContact CG1-CD1 3.86Å; I46-L78 HydrophobicContact CG2-CD1 3.9Å; I46-L78 HydrophobicContact CG2-CD2 4.21Å; I46-Q80 PolarHBondContact N-O 3.01Å; I46-V81 HydrophobicContact CD1-CB 4.39Å; I46-V81 HydrophobicContact CD1-CG1 3.88Å; I46-V81 HydrophobicContact CD1-CG2 3.94Å; I46-V81 HydrophobicContact CG1-CB 4.16Å; I46-V81 HydrophobicContact CG1-CG1 3.94Å; I46-V81 HydrophobicContact CG1-CG2 3.95Å; I46-V82 PolarHBondContact O-N 2.95Å
47F98.9Very high98.8Very high6 Ų631.9 Ų31.93%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-118.4102.7174.4-177.7-92.3000109.1V12 A13 A14 T15 G50 V82 H84 A109 Y143 K173 V216V12-F47 HydrophobicContact CG1-CB 3.87Å; A13-F47 PolarHBondContact O-N 2.85Å; A14-F47 WeakPolarHBondContact CA-O 3.44Å; A14-F47 HydrophobicContact CB-CD1 4.44Å; T15-F47 PolarHBondContact N-O 3.1Å; F47-G50 VanDerWaalsContact CE1-CA 3.49Å; F47-V82 WeakPolarHBondContact CA-O 3.44Å; F47-V82 HydrophobicContact CD2-CB 4.42Å; F47-V82 HydrophobicContact CD2-CG1 4.04Å; F47-V82 HydrophobicContact CE2-CG1 4.39Å; F47-H84 HydrophobicContact CE1-CB 3.87Å; F47-H84 HydrophobicContact CE2-CB 4.38Å; F47-H84 HydrophobicContact CZ-CB 3.7Å; F47-A109 HydrophobicContact CD2-CB 4.36Å; F47-A109 HydrophobicContact CE2-CB 3.36Å; F47-A109 HydrophobicContact CZ-CB 3.95Å; F47-Y143 HydrophobicContact CE1-CD1 4.35Å; F47-Y143 HydrophobicContact CE1-CE1 4.3Å; F47-Y143 AromaticContact CZ-CD1 3.94Å; F47-Y143 HydrophobicContact CZ-CD1 3.94Å; F47-Y143 HydrophobicContact CZ-CE1 4.35Å; F47-Y143 HydrophobicContact CZ-CG 4.28Å; F47-K173 HydrophobicContact CE1-CD 4.29Å; F47-K173 HydrophobicContact CE2-CD 4.13Å; F47-K173 HydrophobicContact CZ-CD 4Å; F47-V216 HydrophobicContact CB-CG1 3.62Å; F47-V216 HydrophobicContact CD1-CG1 4.21Å; F47-V216 HydrophobicContact CD2-CG1 4.21Å; F47-V216 HydrophobicContact CG-CG1 3.79Å
48V98.9Very high98.8Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-91.3147.3-169.9-179.90000110.6I46 G50 W70 V81 V82 I83 H84I46-V48 HydrophobicContact CD1-CG2 3.72Å; I46-V48 HydrophobicContact CG1-CG2 4Å; V48-G50 PolarHBondContact O-N 2.76Å; V48-G50 VanDerWaalsContact O-N 3.16Å; V48-W70 HydrophobicContact CG1-CB 4.44Å; V48-W70 HydrophobicContact CG1-CG 4.03Å; V48-W70 HydrophobicContact CG2-CB 3.88Å; V48-W70 HydrophobicContact CG2-CD2 4.24Å; V48-W70 HydrophobicContact CG2-CG 3.72Å; V48-V81 HydrophobicContact CG2-CG1 4.03Å; V48-V82 PolarHBondContact N-O 2.85Å; V48-I83 HydrophobicContact CB-CD1 3.77Å; V48-I83 HydrophobicContact CG1-CD1 4.14Å; V48-I83 HydrophobicContact CG2-CD1 3.99Å; V48-H84 WeakPolarHBondContact O-CB 3.1Å; V48-H84 PolarHBondContact O-N 2.99Å
49N98.9Very high98.8Very high1 Ų132.8 Ų32.81%0.00518%0.177CC..THydrogen-bonded Turntrans58.924.5176.8-61.4-20.2000114.5G55 R63 V66 H84N49-G55 WeakPolarHBondContact O-CA 3.46Å; N49-R63 PolarHBondContact ND2-O 3.11Å; N49-V66 WeakPolarHBondContact OD1-CG1 3.42Å; N49-H84 PolarHBondContact O-ND1 2.91Å
50G98.7Very high98.8Very high3 Ų326.1 Ų26.13%0.03115%0.149CC..SBendtrans-71-168.8167.600000112.8F47 V48 T52 G53 E54 G55F47-G50 VanDerWaalsContact CE1-CA 3.49Å; V48-G50 PolarHBondContact O-N 2.76Å; V48-G50 VanDerWaalsContact O-N 3.16Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 3.02Å; G50-G53 CarbonylContact O-C 3.45Å; G50-G53 PolarHBondContact O-N 3.37Å; G50-G53 VanDerWaalsContact O-N 3.11Å; G50-E54 PolarHBondContact O-N 3.03Å; G50-G55 PolarHBondContact O-N 3.33Å; G50-G55 VanDerWaalsContact O-N 3.1Å
51T98.8Very high98.8Very high46 Ų4625.5 Ų25.528%0.28215%0.154SC..THydrogen-bonded Turntrans-56-44.9173.2-47.70000111.6G53 E54 Y143 L148 V263T51-G53 VanDerWaalsContact C-N 3.27Å; T51-G53 PolarHBondContact O-N 2.81Å; T51-E54 PolarHBondContact O-N 3.41Å; T51-Y143 PolarHBondContact OG1-OH 2.84Å; T51-L148 HydrophobicContact CG2-CD1 3.74Å; T51-V263 HydrophobicContact CG2-CG2 4.3Å
52T98.9Very high98.8Very high15 Ų1526 Ų269%0.09216%0.156CC..THydrogen-bonded Turntrans-63.4-31.7177.5-48.40000113.2A14 T15 I16 G50 E54 S218 T266A14-T52 VanDerWaalsContact O-CG2 3.27Å; A14-T52 WeakPolarHBondContact O-CG2 3.47Å; T15-T52 CarbonylContact O-C 3.55Å; I16-T52 HydrophobicContact CG1-CG2 3.78Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 3.02Å; T52-E54 PolarHBondContact O-N 2.94Å; T52-S218 WeakPolarHBondContact OG1-CB 3.34Å; T52-T266 HydrophobicContact CG2-CG2 4.09Å
53G98.9Very high98.8Very high0 Ų024.7 Ų24.70%014%0.141CC..THydrogen-bonded Turntrans-83.45.3175.600000113.6T15 T17 G50 T51 G55T15-G53 WeakPolarHBondContact O-CA 3.22Å; T15-G53 PolarHBondContact O-N 2.83Å; T15-G53 VanDerWaalsContact O-N 3.13Å; T17-G53 WeakPolarHBondContact CB-O 3.25Å; T17-G53 PolarHBondContact OG1-O 2.92Å; G50-G53 CarbonylContact O-C 3.45Å; G50-G53 PolarHBondContact O-N 3.37Å; G50-G53 VanDerWaalsContact O-N 3.11Å; T51-G53 VanDerWaalsContact C-N 3.27Å; T51-G53 PolarHBondContact O-N 2.81Å; G53-G55 PolarHBondContact O-N 2.87Å; G53-G55 VanDerWaalsContact O-N 3.13Å
54E98.9Very high98.8Very high7 Ų728.9 Ų28.93%0.03316%0.156CC..THydrogen-bonded Turntrans55.729.5-176.8-55175-105.300112.2G50 T51 T52 L56 S57 V263 K267 P281 R282 L285G50-E54 PolarHBondContact O-N 3.03Å; T51-E54 PolarHBondContact O-N 3.41Å; T52-E54 PolarHBondContact O-N 2.94Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.97Å; E54-L56 VanDerWaalsContact O-N 3.1Å; E54-S57 WeakPolarHBondContact O-CA 3.35Å; E54-S57 VanDerWaalsContact O-CB 3.29Å; E54-S57 WeakPolarHBondContact O-CB 3.49Å; E54-S57 PolarHBondContact O-N 3.42Å; E54-V263 HydrophobicContact CG-CG1 3.69Å; E54-K267 WeakPolarHBondContact OE1-CD 3.28Å; E54-K267 IonicContact OE1-NZ 3.04Å; E54-K267 PolarHBondContact OE1-NZ 3.45Å; E54-P281 WeakPolarHBondContact OE2-CA 3.1Å; E54-P281 WeakPolarHBondContact OE2-CB 3.26Å; E54-R282 PolarHBondContact OE2-N 3.42Å; E54-L285 HydrophobicContact CG-CD1 4.12Å
55G98.8Very high98.9Very high1 Ų127.2 Ų27.21%0.0115%0.151CC..G310 helixtrans-63.3-27.8-160.500000115.6N49 G50 G53 S57 R63N49-G55 WeakPolarHBondContact O-CA 3.46Å; G50-G55 PolarHBondContact O-N 3.33Å; G50-G55 VanDerWaalsContact O-N 3.1Å; G53-G55 PolarHBondContact O-N 2.87Å; G53-G55 VanDerWaalsContact O-N 3.13Å; G55-S57 VanDerWaalsContact C-N 3.34Å; G55-R63 VanDerWaalsContact O-CD 3.27Å; G55-R63 WeakPolarHBondContact O-CD 3.45Å
56L98.6Very high98.9Very high74 Ų7426.8 Ų26.839%0.38715%0.148SC..G310 helixtrans-85.1-5.9175-91.767.2000113.4E54 F114E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.97Å; E54-L56 VanDerWaalsContact O-N 3.1Å; L56-F114 HydrophobicContact CD2-CE1 3.67Å; L56-F114 HydrophobicContact CD2-CZ 3.63Å
57S98.8Very high98.9Very high44 Ų4426.8 Ų26.831%0.30815%0.148SC..G310 helixtrans-88.8-8.6168.5-52.50000112.4E54 G55 R282E54-S57 WeakPolarHBondContact O-CA 3.35Å; E54-S57 VanDerWaalsContact O-CB 3.29Å; E54-S57 WeakPolarHBondContact O-CB 3.49Å; E54-S57 PolarHBondContact O-N 3.42Å; G55-S57 VanDerWaalsContact C-N 3.34Å; S57-R282 WeakPolarHBondContact O-CD 3.34Å; S57-R282 PolarHBondContact O-NH1 2.88Å; S57-R282 VanDerWaalsContact O-NH1 3.17Å
58L98.9Very high98.9Very high10 Ų1030 Ų305%0.05216%0.163CC..SBendtrans-91.4141.8176.5-56.4-176.4000109.8T17 M19 I25 E62 R63 V66T17-L58 HydrophobicContact CG2-CD1 4.19Å; T17-L58 HydrophobicContact CG2-CD2 4.44Å; M19-L58 HydrophobicContact CE-CD2 3.77Å; I25-L58 HydrophobicContact CD1-CD1 4.12Å; I25-L58 HydrophobicContact CD1-CD2 4.1Å; I25-L58 HydrophobicContact CG1-CD2 4.41Å; L58-E62 HydrophobicContact CB-CB 4.07Å; L58-R63 HydrophobicContact CB-CG 3.66Å; L58-R63 HydrophobicContact CD1-CG 4.28Å; L58-V66 HydrophobicContact CD1-CG1 4.32Å
59S98.9Very high98.9Very high57 Ų5732.1 Ų32.140%0.39917%0.173SC..  trans-64162.3167.966.50000111.2S61 E62 R63S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.64Å; S59-E62 WeakPolarHBondContact CB-OE2 3.45Å; S59-E62 PolarHBondContact N-OE2 3.19Å; S59-E62 PolarHBondContact O-N 3.04Å; S59-E62 WeakPolarHBondContact OG-CB 3.36Å; S59-E62 VanDerWaalsContact OG-CG 3.25Å; S59-E62 WeakPolarHBondContact OG-CG 3.29Å; S59-E62 PolarHBondContact OG-N 3.35Å; S59-E62 PolarHBondContact OG-OE2 3.26Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 2.96Å
60I98.8Very high98.9Very high26 Ų2632.1 Ų32.113%0.13317%0.173CC..Hα-helixtrans-59.8-40.2177.3-56.6-53.1000111.5R63 R64 E92 E95 L96I60-R63 PolarHBondContact O-N 3.48Å; I60-R64 VanDerWaalsContact O-CG 3.3Å; I60-R64 WeakPolarHBondContact O-CG 3.45Å; I60-R64 PolarHBondContact O-N 3.06Å; I60-R64 VanDerWaalsContact O-N 3.08Å; I60-E92 HydrophobicContact CD1-CB 3.67Å; I60-E92 HydrophobicContact CD1-CG 3.91Å; I60-E92 HydrophobicContact CG1-CB 4.11Å; I60-E92 HydrophobicContact CG1-CG 3.86Å; I60-E95 HydrophobicContact CG2-CG 4.49Å; I60-L96 HydrophobicContact CD1-CD1 3.89Å; I60-L96 HydrophobicContact CD1-CG 4.43Å; I60-L96 HydrophobicContact CG2-CD2 4.04Å; I60-L96 HydrophobicContact CG2-CG 4.22Å
61S98.9Very high98.9Very high70 Ų7033 Ų3349%0.4918%0.178SC..Hα-helixtrans-58.9-49.8174.7-1740000111.7S59 R63 R64 Q65S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.64Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 3.47Å; S61-R64 WeakPolarHBondContact O-CB 3.45Å; S61-R64 PolarHBondContact O-N 2.94Å; S61-Q65 WeakPolarHBondContact O-CG 3.48Å; S61-Q65 PolarHBondContact O-N 3.37Å; S61-Q65 PolarHBondContact O-OE1 3Å; S61-Q65 PolarHBondContact OG-OE1 3.25Å
62E98.9Very high98.9Very high24 Ų2435.3 Ų35.311%0.11219%0.192CC..Hα-helixtrans-61.2-41.6179.1-77.3172.9118.600112.5I25 L58 S59 R64 Q65 V66 R282I25-E62 HydrophobicContact CD1-CB 3.71Å; I25-E62 HydrophobicContact CD1-CG 4.03Å; L58-E62 HydrophobicContact CB-CB 4.07Å; S59-E62 WeakPolarHBondContact CB-OE2 3.45Å; S59-E62 PolarHBondContact N-OE2 3.19Å; S59-E62 PolarHBondContact O-N 3.04Å; S59-E62 WeakPolarHBondContact OG-CB 3.36Å; S59-E62 VanDerWaalsContact OG-CG 3.25Å; S59-E62 WeakPolarHBondContact OG-CG 3.29Å; S59-E62 PolarHBondContact OG-N 3.35Å; S59-E62 PolarHBondContact OG-OE2 3.26Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3Å; E62-Q65 PolarHBondContact O-N 3.45Å; E62-V66 WeakPolarHBondContact O-CB 3.2Å; E62-V66 WeakPolarHBondContact O-CG1 3.49Å; E62-V66 PolarHBondContact O-N 3.12Å; E62-R282 VanDerWaalsContact CD-NH1 3.32Å; E62-R282 IonicContact OE1-CZ 2.74Å; E62-R282 VanDerWaalsContact OE1-CZ 3.26Å; E62-R282 IonicContact OE1-NH1 3.83Å; E62-R282 PolarHBondContact OE1-NH1 3.48Å; E62-R282 IonicContact OE1-NH2 3.14Å; E62-R282 PolarHBondContact OE1-NH2 2.67Å; E62-R282 IonicContact OE2-CZ 2.66Å; E62-R282 IonicContact OE2-NH1 3.55Å; E62-R282 PolarHBondContact OE2-NH1 2.83Å
63R98.9Very high98.9Very high6 Ų638.5 Ų38.52%0.02321%0.205CC..Hα-helixtrans-61.5-39.1177.3-70.9175.771.2171.62.9112.1N49 G55 L58 S59 I60 S61 A67 H84 V85 G86 L96N49-R63 PolarHBondContact ND2-O 3.11Å; G55-R63 VanDerWaalsContact O-CD 3.27Å; G55-R63 WeakPolarHBondContact O-CD 3.45Å; L58-R63 HydrophobicContact CB-CG 3.66Å; L58-R63 HydrophobicContact CD1-CG 4.28Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 2.96Å; I60-R63 PolarHBondContact O-N 3.48Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 3.47Å; R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 2.84Å; R63-A67 VanDerWaalsContact O-N 3.08Å; R63-H84 PolarHBondContact NH2-O 3.41Å; R63-V85 VanDerWaalsContact NH2-C 3.33Å; R63-G86 PolarHBondContact NH1-O 3.18Å; R63-G86 PolarHBondContact NH2-O 3.36Å; R63-L96 HydrophobicContact CB-CD2 3.8Å
64R98.9Very high98.9Very high87 Ų8738.7 Ų38.733%0.32821%0.206SC..Hα-helixtrans-66.2-50.7175.7-70172.157.1-173.3-7.3111I60 S61 E62 V66 A67 E68 E95 L96 H99I60-R64 VanDerWaalsContact O-CG 3.3Å; I60-R64 WeakPolarHBondContact O-CG 3.45Å; I60-R64 PolarHBondContact O-N 3.06Å; I60-R64 VanDerWaalsContact O-N 3.08Å; S61-R64 WeakPolarHBondContact O-CB 3.45Å; S61-R64 PolarHBondContact O-N 2.94Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3Å; R64-V66 PolarHBondContact O-N 3.16Å; R64-A67 PolarHBondContact O-N 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 2.98Å; R64-E95 IonicContact CZ-OE1 2.63Å; R64-E95 IonicContact NH1-OE1 3.1Å; R64-E95 PolarHBondContact NH1-OE1 2.87Å; R64-L96 HydrophobicContact CG-CD2 3.78Å; R64-H99 VanDerWaalsContact CA-CE1 3.45Å; R64-H99 WeakPolarHBondContact CA-CE1 3.46Å; R64-H99 HydrophobicContact CG-CB 4.28Å; R64-H99 PolarHBondContact NE-CD2 3.32Å; R64-H99 PolarHBondContact O-CE1 3.08Å; R64-H99 VanDerWaalsContact O-CE1 3.25Å
65Q98.9Very high98.8Very high85 Ų8545.3 Ų45.340%0.39724%0.235SC..Hα-helixtrans-61.6-43.3-179.2-67.8173-81.900112.3F27 S61 E62 E68 E69F27-Q65 HydrophobicContact CE1-CB 3.92Å; F27-Q65 HydrophobicContact CZ-CB 3.91Å; S61-Q65 WeakPolarHBondContact O-CG 3.48Å; S61-Q65 PolarHBondContact O-N 3.37Å; S61-Q65 PolarHBondContact O-OE1 3Å; S61-Q65 PolarHBondContact OG-OE1 3.25Å; E62-Q65 PolarHBondContact O-N 3.45Å; Q65-E68 WeakPolarHBondContact O-CB 3.3Å; Q65-E68 PolarHBondContact O-N 3.38Å; Q65-E69 PolarHBondContact O-N 3.08Å; Q65-E69 VanDerWaalsContact O-N 3.1Å
66V98.9Very high98.8Very high0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-72.1-33179.178.10000111.6I25 F27 I30 N49 L58 E62 R64 E69 W70I25-V66 HydrophobicContact CD1-CB 4.18Å; I25-V66 HydrophobicContact CG2-CG2 4.15Å; F27-V66 HydrophobicContact CE1-CB 4.07Å; F27-V66 HydrophobicContact CE1-CG2 4.43Å; I30-V66 HydrophobicContact CD1-CG2 3.68Å; N49-V66 WeakPolarHBondContact OD1-CG1 3.42Å; L58-V66 HydrophobicContact CD1-CG1 4.32Å; E62-V66 WeakPolarHBondContact O-CB 3.2Å; E62-V66 WeakPolarHBondContact O-CG1 3.49Å; E62-V66 PolarHBondContact O-N 3.12Å; R64-V66 PolarHBondContact O-N 3.16Å; V66-E69 PolarHBondContact O-N 3.39Å; V66-W70 PolarHBondContact O-N 2.95Å
67A98.9Very high98.8Very high1 Ų153.3 Ų53.31%0.00827%0.274CS..Hα-helixtrans-65.3-43.417300000111.8R63 R64 E69 W70 V71 I83 I103R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 2.84Å; R63-A67 VanDerWaalsContact O-N 3.08Å; R64-A67 PolarHBondContact O-N 3.4Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.37Å; A67-W70 PolarHBondContact O-N 3.25Å; A67-V71 WeakPolarHBondContact O-CG2 3.48Å; A67-V71 PolarHBondContact O-N 2.94Å; A67-I83 HydrophobicContact CB-CD1 3.89Å; A67-I83 HydrophobicContact CB-CG1 4.28Å; A67-I83 HydrophobicContact CB-CG2 4.13Å; A67-I103 HydrophobicContact CB-CD1 3.92Å
68E98.9Very high98.8Very high73 Ų7352.1 Ų52.134%0.34126%0.264SS..Hα-helixtrans-54.8-47172.6-76.6162.4-164.300111.4R64 Q65 V71 T72 H99 I103R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 2.98Å; Q65-E68 WeakPolarHBondContact O-CB 3.3Å; Q65-E68 PolarHBondContact O-N 3.38Å; E68-V71 PolarHBondContact O-N 3.24Å; E68-T72 WeakPolarHBondContact O-CB 3.44Å; E68-T72 PolarHBondContact O-N 3.14Å; E68-T72 PolarHBondContact O-OG1 3.3Å; E68-H99 IonicContact OE1-CD2 4Å; E68-H99 IonicContact OE1-CE1 2.64Å; E68-H99 IonicContact OE1-NE2 3.19Å; E68-H99 PolarHBondContact OE1-NE2 3.28Å; E68-I103 HydrophobicContact CG-CD1 4.47Å; E68-I103 HydrophobicContact CG-CG2 3.71Å
69E98.9Very high98.7Very high45 Ų4554.6 Ų54.621%0.2128%0.277CS..Hα-helixtrans-64.5-44.8-179.9-169.463.6-164.400111.5F27 I30 Q65 V66 A67 T72 K73F27-E69 HydrophobicContact CB-CG 4.37Å; F27-E69 HydrophobicContact CD1-CB 4.21Å; F27-E69 HydrophobicContact CD1-CG 4.36Å; I30-E69 HydrophobicContact CB-CG 3.83Å; I30-E69 HydrophobicContact CD1-CB 4.1Å; I30-E69 HydrophobicContact CD1-CG 3.75Å; I30-E69 HydrophobicContact CG1-CG 4.31Å; I30-E69 HydrophobicContact CG2-CG 3.89Å; Q65-E69 PolarHBondContact O-N 3.08Å; Q65-E69 VanDerWaalsContact O-N 3.1Å; V66-E69 PolarHBondContact O-N 3.39Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.37Å; E69-T72 PolarHBondContact O-N 2.99Å; E69-K73 HydrophobicContact CG-CG 4.29Å; E69-K73 VanDerWaalsContact O-CB 3.3Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.48Å; E69-K73 PolarHBondContact O-N 3.33Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 WeakPolarHBondContact OE1-CG 3.46Å; E69-K73 IonicContact OE1-NZ 3.87Å
70W98.9Very high98.7Very high0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-63.3-44.4177.1-82.1114.5000113.1T15 I30 Y33 V34 L37 I46 V48 V66 A67 G74 V81T15-W70 HydrophobicContact CG2-CH2 3.58Å; T15-W70 HydrophobicContact CG2-CZ2 3.84Å; T15-W70 HydrophobicContact CG2-CZ3 3.98Å; I30-W70 HydrophobicContact CG1-CZ2 4.38Å; I30-W70 HydrophobicContact CG2-CD2 3.62Å; I30-W70 HydrophobicContact CG2-CE3 3.65Å; I30-W70 HydrophobicContact CG2-CG 4.17Å; I30-W70 HydrophobicContact CG2-CH2 4.22Å; I30-W70 HydrophobicContact CG2-CZ2 4.17Å; I30-W70 HydrophobicContact CG2-CZ3 3.97Å; Y33-W70 AromaticContact CD1-CH2 3.43Å; Y33-W70 HydrophobicContact CD1-CH2 3.43Å; Y33-W70 VanDerWaalsContact CD1-CH2 3.43Å; Y33-W70 AromaticContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD2-CH2 4.39Å; Y33-W70 AromaticContact CE1-CH2 3.9Å; Y33-W70 HydrophobicContact CE1-CH2 3.9Å; Y33-W70 HydrophobicContact CE1-CZ2 4.13Å; Y33-W70 AromaticContact CG-CH2 3.72Å; Y33-W70 HydrophobicContact CG-CH2 3.72Å; V34-W70 HydrophobicContact CG2-CE3 3.71Å; V34-W70 HydrophobicContact CG2-CZ3 3.54Å; L37-W70 HydrophobicContact CD1-CZ3 4.46Å; I46-W70 HydrophobicContact CD1-CB 4.19Å; I46-W70 HydrophobicContact CD1-CD2 3.85Å; I46-W70 HydrophobicContact CD1-CE3 3.31Å; I46-W70 HydrophobicContact CD1-CG 4.24Å; I46-W70 HydrophobicContact CD1-CZ3 3.93Å; V48-W70 HydrophobicContact CG1-CB 4.44Å; V48-W70 HydrophobicContact CG1-CG 4.03Å; V48-W70 HydrophobicContact CG2-CB 3.88Å; V48-W70 HydrophobicContact CG2-CD2 4.24Å; V48-W70 HydrophobicContact CG2-CG 3.72Å; V66-W70 PolarHBondContact O-N 2.95Å; A67-W70 PolarHBondContact O-N 3.25Å; W70-G74 WeakPolarHBondContact O-CA 3.28Å; W70-G74 PolarHBondContact O-N 3.14Å; W70-V81 HydrophobicContact CB-CG1 4.33Å
71V98.9Very high98.7Very high22 Ų2251.2 Ų51.213%0.13326%0.255CS..Hα-helixtrans-65.6-44.5177.6173.90000110.4A67 E68 G74 K75 V81 I83 I103 A105A67-V71 WeakPolarHBondContact O-CG2 3.48Å; A67-V71 PolarHBondContact O-N 2.94Å; E68-V71 PolarHBondContact O-N 3.24Å; V71-G74 PolarHBondContact O-N 3.48Å; V71-K75 PolarHBondContact O-N 3.35Å; V71-K75 VanDerWaalsContact O-N 3.17Å; V71-V81 HydrophobicContact CG2-CB 4.26Å; V71-V81 HydrophobicContact CG2-CG1 3.74Å; V71-I83 HydrophobicContact CG2-CD1 4.3Å; V71-I103 HydrophobicContact CB-CD1 4.25Å; V71-I103 WeakPolarHBondContact CG1-O 3.22Å; V71-I103 HydrophobicContact CG2-CD1 3.73Å; V71-I103 HydrophobicContact CG2-CG1 4.19Å; V71-A105 HydrophobicContact CG2-CB 4.13Å
72T98.9Very high98.7Very high94 Ų9448 Ų4858%0.57723%0.232SC*.Hα-helixtrans-64-47.1-180-60.60000111.9E68 E69 K75E68-T72 WeakPolarHBondContact O-CB 3.44Å; E68-T72 PolarHBondContact O-N 3.14Å; E68-T72 PolarHBondContact O-OG1 3.3Å; E69-T72 PolarHBondContact O-N 2.99Å; T72-K75 WeakPolarHBondContact O-CB 3.39Å
73K98.8Very high98.7Very high83 Ų8347 Ų4736%0.36123%0.228SC..Hα-helixtrans-75.5-25.7-179.7-63.1-60.4178.7-175.10113.1I30 V34 E69I30-K73 HydrophobicContact CG2-CB 4.39Å; I30-K73 HydrophobicContact CG2-CG 4.35Å; V34-K73 HydrophobicContact CG2-CB 4.01Å; E69-K73 HydrophobicContact CG-CG 4.29Å; E69-K73 VanDerWaalsContact O-CB 3.3Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.48Å; E69-K73 PolarHBondContact O-N 3.33Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 WeakPolarHBondContact OE1-CG 3.46Å; E69-K73 IonicContact OE1-NZ 3.87Å
74G98.7Very high98.7Very high3 Ų346.9 Ų46.93%0.03123%0.228CC..Hα-helixtrans-75.5-21.4176.300000114.3W70 V71 D76 K77 L78W70-G74 WeakPolarHBondContact O-CA 3.28Å; W70-G74 PolarHBondContact O-N 3.14Å; V71-G74 PolarHBondContact O-N 3.48Å; G74-D76 PolarHBondContact O-N 3.36Å; G74-K77 PolarHBondContact O-N 3.24Å; G74-L78 PolarHBondContact O-N 2.87Å
75K98.2Very high98.7Very high146 Ų14642.8 Ų42.864%0.63521%0.212SC*.THydrogen-bonded Turntrans-54.3132-178.9-172.5177.8175.91770111.7V71 T72 K77V71-K75 PolarHBondContact O-N 3.35Å; V71-K75 VanDerWaalsContact O-N 3.17Å; T72-K75 WeakPolarHBondContact O-CB 3.39Å; K75-K77 PolarHBondContact O-N 3.27Å; K75-K77 VanDerWaalsContact O-N 3.09Å
76D97.8Very high98.7Very high155 Ų15538.8 Ų38.883%0.82919%0.193SC*.THydrogen-bonded Turntrans60.111.9-178.6-53.1-45.2000115G74G74-D76 PolarHBondContact O-N 3.36Å
77K98.4Very high98.7Very high88 Ų8839 Ų3938%0.38320%0.195SC..THydrogen-bonded Turntrans-123.6-47.6178.7-63.5-175.7-178.4-175.70112.8V34 D35 V38 G74 K75V34-K77 HydrophobicContact CG1-CB 3.96Å; V34-K77 HydrophobicContact CG1-CD 3.85Å; D35-K77 VanDerWaalsContact CG-NZ 3.27Å; D35-K77 WeakPolarHBondContact OD1-CD 3.49Å; D35-K77 VanDerWaalsContact OD1-CE 3.3Å; D35-K77 WeakPolarHBondContact OD1-CE 3.35Å; D35-K77 IonicContact OD1-NZ 3.3Å; D35-K77 PolarHBondContact OD1-NZ 3.42Å; D35-K77 IonicContact OD2-NZ 2.81Å; D35-K77 PolarHBondContact OD2-NZ 2.89Å; D35-K77 VanDerWaalsContact OD2-NZ 3.14Å; V38-K77 HydrophobicContact CG2-CB 4.45Å; G74-K77 PolarHBondContact O-N 3.24Å; K75-K77 PolarHBondContact O-N 3.27Å; K75-K77 VanDerWaalsContact O-N 3.09Å
78L98.4Very high98.7Very high19 Ų1942.8 Ų42.810%0.09922%0.215CC..  trans-95.4146.5176.3-66.7168.7000109.9V34 V38 K44 I46 G74 V81V34-L78 HydrophobicContact CG1-CD1 4.05Å; V34-L78 HydrophobicContact CG1-CG 4.05Å; V34-L78 HydrophobicContact CG2-CD1 4.23Å; V38-L78 HydrophobicContact CG2-CD2 3.66Å; V38-L78 HydrophobicContact CG2-CG 4.28Å; K44-L78 CarbonylContact O-C 3.55Å; K44-L78 WeakPolarHBondContact O-CA 3.17Å; K44-L78 WeakPolarHBondContact O-CB 3.35Å; K44-L78 WeakPolarHBondContact O-CD2 3.16Å; I46-L78 HydrophobicContact CD1-CD1 3.57Å; I46-L78 HydrophobicContact CG1-CD1 3.86Å; I46-L78 HydrophobicContact CG2-CD1 3.9Å; I46-L78 HydrophobicContact CG2-CD2 4.21Å; G74-L78 PolarHBondContact O-N 2.87Å; L78-V81 HydrophobicContact CB-CG2 4.45Å; L78-V81 HydrophobicContact CD1-CG2 4.09Å
79D98.2Very high98.7Very high63 Ų6341.5 Ų41.534%0.33721%0.214SC..SBendtrans-73.1-39.4172.3-84.4-43.3000111.1K6 K44K6-D79 IonicContact NZ-OD1 3.16Å; K6-D79 PolarHBondContact NZ-OD1 3.41Å; K44-D79 HydrophobicContact CB-CB 4.1Å; K44-D79 WeakPolarHBondContact CD-OD2 3.26Å; K44-D79 PolarHBondContact O-N 3.39Å
80Q98.6Very high98.7Very high7 Ų742 Ų423%0.03322%0.218CC..EExtended strand (participates in β ladder)trans-147.1137.2178.7-66-167.345.700114.5K6 L8 K44 N45 I46 D106K6-Q80 PolarHBondContact O-NE2 2.85Å; L8-Q80 VanDerWaalsContact CA-NE2 3.31Å; L8-Q80 HydrophobicContact CD1-CB 4.01Å; L8-Q80 HydrophobicContact CD1-CG 4.34Å; K44-Q80 PolarHBondContact O-N 3.5Å; N45-Q80 VanDerWaalsContact CA-O 3.32Å; N45-Q80 WeakPolarHBondContact CA-O 3.12Å; N45-Q80 HydrophobicContact CB-CB 4.46Å; I46-Q80 PolarHBondContact N-O 3.01Å; Q80-D106 WeakPolarHBondContact CA-OD2 3.35Å; Q80-D106 HydrophobicContact CB-CB 3.92Å; Q80-D106 HydrophobicContact CG-CB 4.01Å
81V98.9Very high98.7Very high5 Ų549.9 Ų49.93%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-113.9107.1168.8-177.80000109.8I46 V48 W70 V71 L78 I83 D106I46-V81 HydrophobicContact CD1-CB 4.39Å; I46-V81 HydrophobicContact CD1-CG1 3.88Å; I46-V81 HydrophobicContact CD1-CG2 3.94Å; I46-V81 HydrophobicContact CG1-CB 4.16Å; I46-V81 HydrophobicContact CG1-CG1 3.94Å; I46-V81 HydrophobicContact CG1-CG2 3.95Å; V48-V81 HydrophobicContact CG2-CG1 4.03Å; W70-V81 HydrophobicContact CB-CG1 4.33Å; V71-V81 HydrophobicContact CG2-CB 4.26Å; V71-V81 HydrophobicContact CG2-CG1 3.74Å; L78-V81 HydrophobicContact CB-CG2 4.45Å; L78-V81 HydrophobicContact CD1-CG2 4.09Å; V81-I83 HydrophobicContact CG1-CD1 3.79Å; V81-D106 PolarHBondContact N-OD2 3.43Å; V81-D106 PolarHBondContact O-N 3.38Å
82V98.9Very high98.7Very high1 Ų152.6 Ų52.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-99.6126.4176.9179.40000110.1L8 I46 F47 V48 G107 A109 Y141L8-V82 HydrophobicContact CD2-CG2 3.77Å; I46-V82 PolarHBondContact O-N 2.95Å; F47-V82 WeakPolarHBondContact CA-O 3.44Å; F47-V82 HydrophobicContact CD2-CB 4.42Å; F47-V82 HydrophobicContact CD2-CG1 4.04Å; F47-V82 HydrophobicContact CE2-CG1 4.39Å; V48-V82 PolarHBondContact N-O 2.85Å; V82-G107 WeakPolarHBondContact CA-O 3.31Å; V82-A109 HydrophobicContact CG1-CB 4.06Å; V82-Y141 HydrophobicContact CG1-CD2 4.1Å; V82-Y141 HydrophobicContact CG1-CE2 4.5Å; V82-Y141 HydrophobicContact CG2-CE2 4.16Å
83I98.9Very high98.7Very high5 Ų548.1 Ų48.13%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-98.4123.2179-48.3-55.9000109.8V48 A67 V71 V81 V85 A100 A105 G107 I108 A109V48-I83 HydrophobicContact CB-CD1 3.77Å; V48-I83 HydrophobicContact CG1-CD1 4.14Å; V48-I83 HydrophobicContact CG2-CD1 3.99Å; A67-I83 HydrophobicContact CB-CD1 3.89Å; A67-I83 HydrophobicContact CB-CG1 4.28Å; A67-I83 HydrophobicContact CB-CG2 4.13Å; V71-I83 HydrophobicContact CG2-CD1 4.3Å; V81-I83 HydrophobicContact CG1-CD1 3.79Å; I83-V85 HydrophobicContact CB-CG1 4.13Å; I83-V85 HydrophobicContact CG2-CG1 3.83Å; I83-V85 PolarHBondContact O-N 3.31Å; I83-A100 HydrophobicContact CB-CB 4.29Å; I83-A100 HydrophobicContact CG1-CB 4.25Å; I83-A105 HydrophobicContact CG1-CB 3.77Å; I83-G107 PolarHBondContact N-O 3Å; I83-I108 CarbonylContact O-C 3.09Å; I83-I108 VanDerWaalsContact O-CA 3.31Å; I83-I108 WeakPolarHBondContact O-CA 3.49Å; I83-A109 PolarHBondContact O-N 3.19Å
84H98.9Very high98.7Very high3 Ų346.7 Ų46.71%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-73.7109.3165.5177.8-116.9000109.5F47 V48 N49 R63 A109 I111 Y143F47-H84 HydrophobicContact CE1-CB 3.87Å; F47-H84 HydrophobicContact CE2-CB 4.38Å; F47-H84 HydrophobicContact CZ-CB 3.7Å; V48-H84 WeakPolarHBondContact O-CB 3.1Å; V48-H84 PolarHBondContact O-N 2.99Å; N49-H84 PolarHBondContact O-ND1 2.91Å; R63-H84 PolarHBondContact NH2-O 3.41Å; H84-A109 CarbonylContact C-O 3.55Å; H84-A109 WeakPolarHBondContact CA-O 3.5Å; H84-A109 PolarHBondContact CD2-O 2.82Å; H84-A109 VanDerWaalsContact CD2-O 3.23Å; H84-I111 WeakPolarHBondContact NE2-CB 3.39Å; H84-I111 WeakPolarHBondContact NE2-CG2 3.49Å; H84-I111 PolarHBondContact NE2-N 3.39Å; H84-Y143 AromaticContact CD2-CD1 3.97Å; H84-Y143 AromaticContact NE2-CD1 3.94Å
85V98.9Very high98.7Very high1 Ų150.4 Ų50.41%0.00625%0.247CC..  trans-104.22.6-177.2-58.10000112.4R63 I83 S93 L96 A97 A100 I108 A109 V110 V131R63-V85 VanDerWaalsContact NH2-C 3.33Å; I83-V85 HydrophobicContact CB-CG1 4.13Å; I83-V85 HydrophobicContact CG2-CG1 3.83Å; I83-V85 PolarHBondContact O-N 3.31Å; V85-S93 WeakPolarHBondContact O-CA 3.29Å; V85-S93 WeakPolarHBondContact O-CB 3.11Å; V85-S93 PolarHBondContact O-OG 3.04Å; V85-L96 HydrophobicContact CB-CB 3.77Å; V85-L96 HydrophobicContact CG1-CB 3.99Å; V85-A97 HydrophobicContact CG2-CB 4.08Å; V85-A100 HydrophobicContact CG1-CB 4.17Å; V85-I108 HydrophobicContact CG1-CB 4.22Å; V85-I108 HydrophobicContact CG1-CG2 3.82Å; V85-I108 HydrophobicContact CG2-CB 3.86Å; V85-I108 HydrophobicContact CG2-CD1 4.17Å; V85-I108 HydrophobicContact CG2-CG2 4.25Å; V85-A109 PolarHBondContact N-O 3.41Å; V85-V110 HydrophobicContact CG2-CG2 3.71Å; V85-V131 HydrophobicContact CG2-CG1 4.03Å
86G98.8Very high98.7Very high0 Ų043.7 Ų43.70%022%0.218CC..  trans-60137.8176.500000112.5R63R63-G86 PolarHBondContact NH1-O 3.18Å; R63-G86 PolarHBondContact NH2-O 3.36Å
87A98.8Very high98.8Very high4 Ų436.3 Ų36.33%0.03318%0.178CC..  trans-145.3165.617500000109.1S89 E92A87-S89 VanDerWaalsContact C-N 3.34Å; A87-E92 HydrophobicContact CB-CB 3.94Å
88L98.7Very high98.8Very high82 Ų8237 Ų3743%0.42918%0.183SC..SBendtrans-72.5-32.3174.2-63.8-179.7000111.6F114 F115L88-F114 HydrophobicContact CD2-CD1 3.98Å; L88-F114 HydrophobicContact CD2-CD2 4.01Å; L88-F114 HydrophobicContact CD2-CE1 3.85Å; L88-F114 HydrophobicContact CD2-CE2 3.88Å; L88-F114 HydrophobicContact CD2-CG 4.06Å; L88-F114 HydrophobicContact CD2-CZ 3.8Å; L88-F114 HydrophobicContact CG-CZ 4.5Å; L88-F115 HydrophobicContact CD1-CB 4.13Å; L88-F115 HydrophobicContact CD2-CB 4.12Å
89S98.8Very high98.8Very high46 Ų4636.5 Ų36.532%0.32218%0.18SC..SBendtrans-85.9127.3172.2175.90000110.4A87 K91 E92 S93A87-S89 VanDerWaalsContact C-N 3.34Å; S89-K91 VanDerWaalsContact C-N 3.29Å; S89-K91 PolarHBondContact O-N 3.17Å; S89-K91 PolarHBondContact OG-N 3.27Å; S89-E92 WeakPolarHBondContact CB-OE2 3.32Å; S89-E92 PolarHBondContact O-N 3.43Å; S89-S93 PolarHBondContact O-N 3.01Å; S89-S93 VanDerWaalsContact O-N 3.13Å
90L98.9Very high98.9Very high55 Ų5533.5 Ų33.529%0.28816%0.164SC..Hα-helixtrans-58.9-43174.2177.358.9000111.4E92 S93 Q94 F127 E130 V131L90-E92 VanDerWaalsContact C-N 3.33Å; L90-E92 PolarHBondContact O-N 3.13Å; L90-S93 PolarHBondContact O-N 2.98Å; L90-S93 VanDerWaalsContact O-N 3.16Å; L90-Q94 HydrophobicContact CD1-CG 4.15Å; L90-Q94 HydrophobicContact CG-CG 4.4Å; L90-Q94 WeakPolarHBondContact O-CG 3.47Å; L90-Q94 PolarHBondContact O-N 3.03Å; L90-F127 HydrophobicContact CB-CD2 4.24Å; L90-F127 HydrophobicContact CB-CE2 3.76Å; L90-F127 HydrophobicContact CD1-CD2 3.88Å; L90-F127 HydrophobicContact CD1-CE2 3.79Å; L90-F127 HydrophobicContact CD1-CG 4.39Å; L90-F127 HydrophobicContact CD1-CZ 4.2Å; L90-F127 HydrophobicContact CG-CE2 4.34Å; L90-E130 HydrophobicContact CD1-CB 3.85Å; L90-E130 HydrophobicContact CD2-CB 4.08Å; L90-E130 HydrophobicContact CD2-CG 4.34Å; L90-V131 HydrophobicContact CD1-CG2 3.58Å
91K98.9Very high98.9Very high166 Ų16634.9 Ų34.972%0.72218%0.177SC*.Hα-helixtrans-60.6-42.7-178.6-72.1-170.1173.5-168.10112.2S89 S93 Q94 E95S89-K91 VanDerWaalsContact C-N 3.29Å; S89-K91 PolarHBondContact O-N 3.17Å; S89-K91 PolarHBondContact OG-N 3.27Å; K91-S93 VanDerWaalsContact C-N 3.34Å; K91-Q94 PolarHBondContact O-N 2.86Å; K91-E95 PolarHBondContact O-N 3.39Å
92E98.9Very high98.9Very high79 Ų7940.6 Ų40.637%0.36920%0.203SC..Hα-helixtrans-66.7-39.4177.6-67.5178.2165.300111.3I60 A87 S89 L90 Q94 E95 L96I60-E92 HydrophobicContact CD1-CB 3.67Å; I60-E92 HydrophobicContact CD1-CG 3.91Å; I60-E92 HydrophobicContact CG1-CB 4.11Å; I60-E92 HydrophobicContact CG1-CG 3.86Å; A87-E92 HydrophobicContact CB-CB 3.94Å; S89-E92 WeakPolarHBondContact CB-OE2 3.32Å; S89-E92 PolarHBondContact O-N 3.43Å; L90-E92 VanDerWaalsContact C-N 3.33Å; L90-E92 PolarHBondContact O-N 3.13Å; E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 2.82Å; E92-E95 PolarHBondContact O-N 3.48Å; E92-L96 WeakPolarHBondContact O-CB 3.37Å; E92-L96 VanDerWaalsContact O-CG 3.27Å; E92-L96 WeakPolarHBondContact O-CG 3.49Å; E92-L96 PolarHBondContact O-N 3.32Å
93S98.9Very high98.9Very high0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-66-37.3177.1-159.80000111.9V85 S89 L90 K91 A97 V131V85-S93 WeakPolarHBondContact O-CA 3.29Å; V85-S93 WeakPolarHBondContact O-CB 3.11Å; V85-S93 PolarHBondContact O-OG 3.04Å; S89-S93 PolarHBondContact O-N 3.01Å; S89-S93 VanDerWaalsContact O-N 3.13Å; L90-S93 PolarHBondContact O-N 2.98Å; L90-S93 VanDerWaalsContact O-N 3.16Å; K91-S93 VanDerWaalsContact C-N 3.34Å; S93-A97 VanDerWaalsContact O-CB 3.31Å; S93-A97 WeakPolarHBondContact O-CB 3.16Å; S93-A97 PolarHBondContact O-N 3.16Å; S93-V131 WeakPolarHBondContact OG-CG1 3.5Å; S93-V131 WeakPolarHBondContact OG-CG2 3.37Å
94Q98.9Very high98.8Very high52 Ų5244.3 Ų44.324%0.24323%0.232CC..Hα-helixtrans-65.9-44.4172.4-71.8174-42.700112.3L90 K91 E92 L96 A97 Q98 E130 A134L90-Q94 HydrophobicContact CD1-CG 4.15Å; L90-Q94 HydrophobicContact CG-CG 4.4Å; L90-Q94 WeakPolarHBondContact O-CG 3.47Å; L90-Q94 PolarHBondContact O-N 3.03Å; K91-Q94 PolarHBondContact O-N 2.86Å; E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 2.82Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.29Å; Q94-A97 PolarHBondContact O-N 2.75Å; Q94-Q98 WeakPolarHBondContact O-CB 3.49Å; Q94-Q98 PolarHBondContact O-N 2.87Å; Q94-E130 PolarHBondContact NE2-O 3.29Å; Q94-E130 VanDerWaalsContact NE2-O 3.12Å; Q94-A134 HydrophobicContact CB-CB 4.13Å; Q94-A134 HydrophobicContact CG-CB 4.32Å
95E98.9Very high98.8Very high81 Ų8144.2 Ų44.238%0.37923%0.232SC..Hα-helixtrans-57.6-47.2175.3-178.8-175.7159.200110.9I60 R64 K91 E92 Q98 H99I60-E95 HydrophobicContact CG2-CG 4.49Å; R64-E95 IonicContact CZ-OE1 2.63Å; R64-E95 IonicContact NH1-OE1 3.1Å; R64-E95 PolarHBondContact NH1-OE1 2.87Å; K91-E95 PolarHBondContact O-N 3.39Å; E92-E95 PolarHBondContact O-N 3.48Å; E95-Q98 PolarHBondContact O-N 2.99Å; E95-H99 VanDerWaalsContact O-CB 3.31Å; E95-H99 WeakPolarHBondContact O-CB 3.27Å; E95-H99 PolarHBondContact O-N 2.88Å
96L98.9Very high98.8Very high5 Ų545.8 Ų45.83%0.02624%0.24CC..Hα-helixtrans-67.7-36179.4-69.9169.4000112.9I60 R63 R64 V85 E92 Q94 A100I60-L96 HydrophobicContact CD1-CD1 3.89Å; I60-L96 HydrophobicContact CD1-CG 4.43Å; I60-L96 HydrophobicContact CG2-CD2 4.04Å; I60-L96 HydrophobicContact CG2-CG 4.22Å; R63-L96 HydrophobicContact CB-CD2 3.8Å; R64-L96 HydrophobicContact CG-CD2 3.78Å; V85-L96 HydrophobicContact CB-CB 3.77Å; V85-L96 HydrophobicContact CG1-CB 3.99Å; E92-L96 WeakPolarHBondContact O-CB 3.37Å; E92-L96 VanDerWaalsContact O-CG 3.27Å; E92-L96 WeakPolarHBondContact O-CG 3.49Å; E92-L96 PolarHBondContact O-N 3.32Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.48Å
97A98.9Very high98.8Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-64.7-47.2174.700000111.4V85 S93 Q94 A100 A101 I108 V131 A134 A135V85-A97 HydrophobicContact CG2-CB 4.08Å; S93-A97 VanDerWaalsContact O-CB 3.31Å; S93-A97 WeakPolarHBondContact O-CB 3.16Å; S93-A97 PolarHBondContact O-N 3.16Å; Q94-A97 PolarHBondContact O-N 2.75Å; A97-A100 PolarHBondContact O-N 3.42Å; A97-A101 PolarHBondContact O-N 3.01Å; A97-A101 VanDerWaalsContact O-N 3.15Å; A97-I108 HydrophobicContact CB-CD1 3.91Å; A97-V131 HydrophobicContact CB-CG1 3.89Å; A97-A134 HydrophobicContact CB-CB 4.05Å; A97-A135 HydrophobicContact CB-CB 4.25Å; A97-A135 WeakPolarHBondContact O-CB 3.44Å
98Q98.9Very high98.8Very high104 Ų10445.6 Ų45.649%0.48624%0.239SC..Hα-helixtrans-60.3-47.1175.9-174.2-175.1-33.100110.9Q94 E95 A100 A101 E102Q94-Q98 WeakPolarHBondContact O-CB 3.49Å; Q94-Q98 PolarHBondContact O-N 2.87Å; E95-Q98 PolarHBondContact O-N 2.99Å; Q98-A100 PolarHBondContact O-N 3.32Å; Q98-A101 VanDerWaalsContact O-CB 3.32Å; Q98-A101 WeakPolarHBondContact O-CB 3.45Å; Q98-A101 PolarHBondContact O-N 3.13Å; Q98-A101 VanDerWaalsContact O-N 3.11Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.38Å; Q98-E102 PolarHBondContact NE2-OE1 2.89Å; Q98-E102 WeakPolarHBondContact O-CG 3.19Å; Q98-E102 PolarHBondContact O-N 3.12Å
99H98.9Very high98.8Very high8 Ų841.7 Ų41.74%0.03722%0.218CC..Hα-helixtrans-59.7-43.9177174.1-96.9000112.6R64 E68 E95 A101 E102 I103R64-H99 VanDerWaalsContact CA-CE1 3.45Å; R64-H99 WeakPolarHBondContact CA-CE1 3.46Å; R64-H99 HydrophobicContact CG-CB 4.28Å; R64-H99 PolarHBondContact NE-CD2 3.32Å; R64-H99 PolarHBondContact O-CE1 3.08Å; R64-H99 VanDerWaalsContact O-CE1 3.25Å; E68-H99 IonicContact OE1-CD2 4Å; E68-H99 IonicContact OE1-CE1 2.64Å; E68-H99 IonicContact OE1-NE2 3.19Å; E68-H99 PolarHBondContact OE1-NE2 3.28Å; E95-H99 VanDerWaalsContact O-CB 3.31Å; E95-H99 WeakPolarHBondContact O-CB 3.27Å; E95-H99 PolarHBondContact O-N 2.88Å; H99-A101 PolarHBondContact O-N 3.36Å; H99-E102 WeakPolarHBondContact O-CB 3.48Å; H99-E102 PolarHBondContact O-N 2.87Å; H99-E102 VanDerWaalsContact O-N 3.08Å; H99-I103 WeakPolarHBondContact O-CG1 3.31Å; H99-I103 PolarHBondContact O-N 2.95Å
100A98.9Very high98.8Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-59.1-34.7176.100000112.2I83 V85 L96 A97 Q98 I103 G104 A105 I108I83-A100 HydrophobicContact CB-CB 4.29Å; I83-A100 HydrophobicContact CG1-CB 4.25Å; V85-A100 HydrophobicContact CG1-CB 4.17Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.48Å; A97-A100 PolarHBondContact O-N 3.42Å; Q98-A100 PolarHBondContact O-N 3.32Å; A100-I103 WeakPolarHBondContact O-CG1 3.32Å; A100-G104 PolarHBondContact O-N 3.34Å; A100-A105 HydrophobicContact CB-CB 4.24Å; A100-A105 VanDerWaalsContact O-CB 3.31Å; A100-A105 WeakPolarHBondContact O-CB 3.4Å; A100-A105 PolarHBondContact O-N 3.03Å; A100-I108 HydrophobicContact CB-CG2 3.55Å
101A98.8Very high98.8Very high36 Ų3637.1 Ų37.130%0.29819%0.19SC..Hα-helixtrans-68.6-44.3173.400000112.4A97 Q98 H99 I103 G104 A135 L138A97-A101 PolarHBondContact O-N 3.01Å; A97-A101 VanDerWaalsContact O-N 3.15Å; Q98-A101 VanDerWaalsContact O-CB 3.32Å; Q98-A101 WeakPolarHBondContact O-CB 3.45Å; Q98-A101 PolarHBondContact O-N 3.13Å; Q98-A101 VanDerWaalsContact O-N 3.11Å; H99-A101 PolarHBondContact O-N 3.36Å; A101-I103 VanDerWaalsContact C-N 3.35Å; A101-I103 PolarHBondContact O-N 3.46Å; A101-G104 PolarHBondContact O-N 3.15Å; A101-A135 HydrophobicContact CB-CB 4.15Å; A101-L138 HydrophobicContact CB-CD1 3.48Å; A101-L138 VanDerWaalsContact CB-CD1 3.48Å
102E98.8Very high98.8Very high124 Ų12429.2 Ų29.258%0.57916%0.156SC*.Hα-helixtrans-61.2-40.1179.8-70.3166.4179.800112.5Q98 H99 G104Q98-E102 WeakPolarHBondContact CG-OE1 3.38Å; Q98-E102 PolarHBondContact NE2-OE1 2.89Å; Q98-E102 WeakPolarHBondContact O-CG 3.19Å; Q98-E102 PolarHBondContact O-N 3.12Å; H99-E102 WeakPolarHBondContact O-CB 3.48Å; H99-E102 PolarHBondContact O-N 2.87Å; H99-E102 VanDerWaalsContact O-N 3.08Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 3.09Å
103I98.8Very high98.8Very high43 Ų4326.1 Ų26.122%0.22114%0.143CC..THydrogen-bonded Turntrans-81.7-6.8179.669.5173.6000113.3A67 E68 V71 H99 A100 A101A67-I103 HydrophobicContact CB-CD1 3.92Å; E68-I103 HydrophobicContact CG-CD1 4.47Å; E68-I103 HydrophobicContact CG-CG2 3.71Å; V71-I103 HydrophobicContact CB-CD1 4.25Å; V71-I103 WeakPolarHBondContact CG1-O 3.22Å; V71-I103 HydrophobicContact CG2-CD1 3.73Å; V71-I103 HydrophobicContact CG2-CG1 4.19Å; H99-I103 WeakPolarHBondContact O-CG1 3.31Å; H99-I103 PolarHBondContact O-N 2.95Å; A100-I103 WeakPolarHBondContact O-CG1 3.32Å; A101-I103 VanDerWaalsContact C-N 3.35Å; A101-I103 PolarHBondContact O-N 3.46Å
104G98.3Very high98.8Very high41 Ų4128.4 Ų28.442%0.42315%0.153SC..THydrogen-bonded Turntrans81.530.8176.300000115.2A100 A101 E102A100-G104 PolarHBondContact O-N 3.34Å; A101-G104 PolarHBondContact O-N 3.15Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 3.09Å
105A98.5Very high98.8Very high1 Ų133.6 Ų33.61%0.00818%0.175CC..  trans-57.1159.2172.300000112.3K5 V71 I83 A100 L138K5-A105 PolarHBondContact NZ-O 3.21Å; V71-A105 HydrophobicContact CG2-CB 4.13Å; I83-A105 HydrophobicContact CG1-CB 3.77Å; A100-A105 HydrophobicContact CB-CB 4.24Å; A100-A105 VanDerWaalsContact O-CB 3.31Å; A100-A105 WeakPolarHBondContact O-CB 3.4Å; A100-A105 PolarHBondContact O-N 3.03Å; A105-L138 HydrophobicContact CB-CD2 4.14Å
106D98.6Very high98.7Very high34 Ų3436.6 Ų36.618%0.18219%0.193CC..SBendtrans-87.7-15.6-177.6-64.1-61.1000113.7K5 Q80 V81 P139K5-D106 IonicContact NZ-OD1 3.93Å; K5-D106 PolarHBondContact NZ-OD1 3.17Å; Q80-D106 WeakPolarHBondContact CA-OD2 3.35Å; Q80-D106 HydrophobicContact CB-CB 3.92Å; Q80-D106 HydrophobicContact CG-CB 4.01Å; V81-D106 PolarHBondContact N-OD2 3.43Å; V81-D106 PolarHBondContact O-N 3.38Å; D106-P139 VanDerWaalsContact O-CD 3.26Å; D106-P139 WeakPolarHBondContact O-CD 3.43Å; D106-P139 VanDerWaalsContact O-CG 3.3Å; D106-P139 WeakPolarHBondContact O-CG 3.31Å
107G98.6Very high98.7Very high0 Ų040.9 Ų40.90%021%0.211CC..EExtended strand (participates in β ladder)trans-176.1169.2171.100000111.8V82 I83 P139V82-G107 WeakPolarHBondContact CA-O 3.31Å; I83-G107 PolarHBondContact N-O 3Å; G107-P139 CarbonylContact C-O 3.59Å; G107-P139 WeakPolarHBondContact CA-O 3.46Å
108I98.9Very high98.7Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-119.5148.4173.256.7166000110.3I83 V85 A97 A100 A135 L138 P139 F140 Y141I83-I108 CarbonylContact O-C 3.09Å; I83-I108 VanDerWaalsContact O-CA 3.31Å; I83-I108 WeakPolarHBondContact O-CA 3.49Å; V85-I108 HydrophobicContact CG1-CB 4.22Å; V85-I108 HydrophobicContact CG1-CG2 3.82Å; V85-I108 HydrophobicContact CG2-CB 3.86Å; V85-I108 HydrophobicContact CG2-CD1 4.17Å; V85-I108 HydrophobicContact CG2-CG2 4.25Å; A97-I108 HydrophobicContact CB-CD1 3.91Å; A100-I108 HydrophobicContact CB-CG2 3.55Å; I108-A135 HydrophobicContact CD1-CB 3.82Å; I108-L138 HydrophobicContact CG2-CD2 4.02Å; I108-P139 PolarHBondContact N-O 3.07Å; I108-F140 HydrophobicContact CD1-CD2 3.82Å; I108-F140 HydrophobicContact CD1-CE2 4.38Å; I108-F140 HydrophobicContact CG1-CD2 4Å; I108-F140 CarbonylContact O-C 3.56Å; I108-F140 WeakPolarHBondContact O-CA 3.35Å; I108-Y141 WeakPolarHBondContact O-CD2 3.37Å; I108-Y141 PolarHBondContact O-N 3.32Å
109A98.9Very high98.6Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-128147.2172.900000112.1F47 V82 I83 H84 V85 Y141F47-A109 HydrophobicContact CD2-CB 4.36Å; F47-A109 HydrophobicContact CE2-CB 3.36Å; F47-A109 HydrophobicContact CZ-CB 3.95Å; V82-A109 HydrophobicContact CG1-CB 4.06Å; I83-A109 PolarHBondContact O-N 3.19Å; H84-A109 CarbonylContact C-O 3.55Å; H84-A109 WeakPolarHBondContact CA-O 3.5Å; H84-A109 PolarHBondContact CD2-O 2.82Å; H84-A109 VanDerWaalsContact CD2-O 3.23Å; V85-A109 PolarHBondContact N-O 3.41Å; A109-Y141 CarbonylContact C-O 3.48Å; A109-Y141 WeakPolarHBondContact CA-O 3.42Å
110V98.9Very high98.6Very high0 Ų050.6 Ų50.60%025%0.252CS..EExtended strand (participates in β ladder)trans-134.8123.4-175.1-176.20000110.8V85 F127 L128 V131 F140 Y141 Y142 Y143V85-V110 HydrophobicContact CG2-CG2 3.71Å; V110-F127 HydrophobicContact CG1-CE1 4.06Å; V110-L128 HydrophobicContact CB-CD2 3.88Å; V110-L128 HydrophobicContact CG1-CD2 3.53Å; V110-V131 HydrophobicContact CG2-CB 4.35Å; V110-V131 HydrophobicContact CG2-CG1 3.68Å; V110-F140 HydrophobicContact CB-CE2 4.06Å; V110-F140 HydrophobicContact CB-CZ 3.74Å; V110-F140 HydrophobicContact CG2-CD2 4.41Å; V110-F140 HydrophobicContact CG2-CE2 3.42Å; V110-F140 VanDerWaalsContact CG2-CE2 3.42Å; V110-F140 HydrophobicContact CG2-CZ 3.67Å; V110-Y141 PolarHBondContact N-O 2.91Å; V110-Y142 WeakPolarHBondContact O-CD2 3.34Å; V110-Y143 PolarHBondContact O-N 2.79Å
111I98.9Very high98.6Very high5 Ų553.3 Ų53.33%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-76.6150.2167.4-164.7170.5000110.5H84 Y143 I145 L148 T149H84-I111 WeakPolarHBondContact NE2-CB 3.39Å; H84-I111 WeakPolarHBondContact NE2-CG2 3.49Å; H84-I111 PolarHBondContact NE2-N 3.39Å; I111-Y143 HydrophobicContact CB-CD1 4Å; I111-Y143 HydrophobicContact CB-CG 4.45Å; I111-Y143 HydrophobicContact CD1-CD1 4.27Å; I111-Y143 HydrophobicContact CD1-CE1 4.28Å; I111-Y143 HydrophobicContact CG1-CD1 4.28Å; I111-I145 HydrophobicContact CD1-CG2 3.46Å; I111-I145 VanDerWaalsContact CD1-CG2 3.46Å; I111-I145 HydrophobicContact CG1-CG2 3.95Å; I111-L148 HydrophobicContact CD1-CD2 4.38Å; I111-T149 HydrophobicContact CD1-CG2 3.53Å; I111-T149 HydrophobicContact CG1-CG2 3.58Å
112A98.8Very high98.6Very high0 Ų056 Ų560%027%0.274CS..PPolyproline II helixtrans-62.4133.2169.900000110.8F114 L124 Y142 V151A112-F114 PolarHBondContact O-N 3.46Å; A112-L124 HydrophobicContact CB-CD1 3.69Å; A112-L124 HydrophobicContact CB-CD2 3.98Å; A112-Y142 HydrophobicContact CB-CE2 4.29Å; A112-V151 HydrophobicContact CB-CB 4.34Å; A112-V151 HydrophobicContact CB-CG1 4.26Å; A112-V151 HydrophobicContact CB-CG2 4.03Å
113P98.6Very high98.6Very high14 Ų1454.1 Ų54.19%0.09127%0.267CS..PPolyproline II helixtrans-65.7136174.529.3-35.3000109.8P118 F127P113-P118 WeakPolarHBondContact O-CD 3.35Å; P113-F127 HydrophobicContact CB-CE2 4.23Å; P113-F127 HydrophobicContact CB-CZ 4.16Å; P113-F127 HydrophobicContact CG-CD1 4.01Å; P113-F127 HydrophobicContact CG-CD2 3.91Å; P113-F127 HydrophobicContact CG-CE1 4.03Å; P113-F127 HydrophobicContact CG-CE2 3.91Å; P113-F127 HydrophobicContact CG-CG 3.96Å; P113-F127 HydrophobicContact CG-CZ 3.98Å
114F98.7Very high98.6Very high48 Ų4852.1 Ų52.121%0.21126%0.256CS..  trans-124.6-6.4-16453.5-99000115.4L56 L88 A112 K117 L148 T149L56-F114 HydrophobicContact CD2-CE1 3.67Å; L56-F114 HydrophobicContact CD2-CZ 3.63Å; L88-F114 HydrophobicContact CD2-CD1 3.98Å; L88-F114 HydrophobicContact CD2-CD2 4.01Å; L88-F114 HydrophobicContact CD2-CE1 3.85Å; L88-F114 HydrophobicContact CD2-CE2 3.88Å; L88-F114 HydrophobicContact CD2-CG 4.06Å; L88-F114 HydrophobicContact CD2-CZ 3.8Å; L88-F114 HydrophobicContact CG-CZ 4.5Å; A112-F114 PolarHBondContact O-N 3.46Å; F114-K117 PolarHBondContact O-NZ 3.45Å; F114-L148 HydrophobicContact CE1-CD2 4.3Å; F114-L148 HydrophobicContact CZ-CD2 4.43Å; F114-T149 HydrophobicContact CB-CG2 4.33Å; F114-T149 VanDerWaalsContact CB-O 3.32Å; F114-T149 WeakPolarHBondContact CB-O 3.25Å; F114-T149 HydrophobicContact CD1-CG2 4.02Å; F114-T149 HydrophobicContact CG-CG2 4.5Å
115F98.4Very high98.6Very high161 Ų16150.5 Ų50.571%0.70624%0.238SC*.SBendtrans-67.4-62.2173.5-179.6-109.5000110.4L88L88-F115 HydrophobicContact CD1-CB 4.13Å; L88-F115 HydrophobicContact CD2-CB 4.12Å
116L98.3Very high98.7Very high144 Ų14454.2 Ų54.275%0.75426%0.258SS*.SBendtrans-104.398.6165.6-63.7176.1000108
117K98.7Very high98.7Very high96 Ų9654.1 Ų54.142%0.41726%0.256SS..  trans-66.6138.7-171.9-65.7170.3175.654.90110.7F114 W119 T149 G150 V151F114-K117 PolarHBondContact O-NZ 3.45Å; K117-W119 PolarHBondContact O-N 3.01Å; K117-T149 WeakPolarHBondContact CE-O 3.49Å; K117-G150 WeakPolarHBondContact CE-O 3.3Å; K117-V151 HydrophobicContact CB-CG2 4.37Å; K117-V151 HydrophobicContact CG-CG2 4.07Å
118P98.3Very high98.7Very high16 Ų1654.1 Ų54.110%0.10426%0.256CS..  trans-61.3133.8169.527.7-34.7000109.7P113 I123 L124 V151 I153P113-P118 WeakPolarHBondContact O-CD 3.35Å; P118-I123 HydrophobicContact CB-CB 4.22Å; P118-I123 HydrophobicContact CB-CG2 3.85Å; P118-L124 HydrophobicContact CB-CB 3.87Å; P118-L124 HydrophobicContact CG-CB 3.84Å; P118-L124 HydrophobicContact CG-CD1 4.19Å; P118-L124 HydrophobicContact CG-CD2 4.43Å; P118-L124 HydrophobicContact CG-CG 4.37Å; P118-V151 HydrophobicContact CG-CG1 4.14Å; P118-I153 HydrophobicContact CB-CD1 4.39Å; P118-I153 HydrophobicContact CG-CD1 4.03Å
119W97.9Very high98.7Very high235 Ų23557.6 Ų57.689%0.8927%0.271SS*.SBendtrans-78.8-25.8-177.7-69.59000113.1K117 I123K117-W119 PolarHBondContact O-N 3.01Å; W119-I123 HydrophobicContact CB-CD1 4.06Å
120T98.7Very high98.7Very high64 Ų6461.7 Ų61.739%0.39329%0.29SS..SBendtrans-137.2162-176.470.90000110.7D122 I123 L124 I153T120-D122 VanDerWaalsContact C-N 3.25Å; T120-D122 PolarHBondContact O-N 3.44Å; T120-I123 HydrophobicContact CG2-CD1 4.31Å; T120-I123 PolarHBondContact O-N 3.08Å; T120-I123 WeakPolarHBondContact OG1-CG1 3.48Å; T120-I123 PolarHBondContact OG1-N 3.26Å; T120-L124 PolarHBondContact O-N 3Å; T120-I153 WeakPolarHBondContact O-CD1 3.45Å
121K98.4Very high98.7Very high57 Ų5761.7 Ų61.725%0.24829%0.29CS..Hα-helixtrans-55.8-41.3172.977.1172.8-160.5158.50112I123 L124 I125 I153 E157K121-I123 PolarHBondContact O-N 3.11Å; K121-L124 WeakPolarHBondContact O-CB 3.32Å; K121-L124 PolarHBondContact O-N 3.44Å; K121-I125 VanDerWaalsContact O-CG1 3.32Å; K121-I125 WeakPolarHBondContact O-CG1 3.4Å; K121-I125 PolarHBondContact O-N 3.29Å; K121-I153 HydrophobicContact CB-CG2 3.92Å; K121-E157 HydrophobicContact CD-CB 4.42Å; K121-E157 VanDerWaalsContact CD-O 3.28Å; K121-E157 WeakPolarHBondContact CD-O 3.43Å; K121-E157 PolarHBondContact NZ-O 2.84Å
122D98.8Very high98.7Very high93 Ų9361.7 Ų61.750%0.49729%0.291SS..Hα-helixtrans-68.3-35.6-177-63.3-30.8000112.4T120 L124 I125 N126T120-D122 VanDerWaalsContact C-N 3.25Å; T120-D122 PolarHBondContact O-N 3.44Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-I125 PolarHBondContact O-N 3.16Å; D122-N126 WeakPolarHBondContact O-CB 3.39Å; D122-N126 VanDerWaalsContact O-CG 3.28Å; D122-N126 PolarHBondContact O-N 3.34Å; D122-N126 PolarHBondContact O-ND2 2.97Å
123I98.8Very high98.7Very high85 Ų8564.7 Ų64.744%0.43632%0.315SS..Hα-helixtrans-64.9-42.2174-66.7167.7000110.2P118 W119 T120 K121 N126 F127P118-I123 HydrophobicContact CB-CB 4.22Å; P118-I123 HydrophobicContact CB-CG2 3.85Å; W119-I123 HydrophobicContact CB-CD1 4.06Å; T120-I123 HydrophobicContact CG2-CD1 4.31Å; T120-I123 PolarHBondContact O-N 3.08Å; T120-I123 WeakPolarHBondContact OG1-CG1 3.48Å; T120-I123 PolarHBondContact OG1-N 3.26Å; K121-I123 PolarHBondContact O-N 3.11Å; I123-N126 PolarHBondContact O-N 3.38Å; I123-F127 PolarHBondContact O-N 2.92Å
124L98.9Very high98.7Very high0 Ų065.3 Ų65.30%032%0.322CS..Hα-helixtrans-63.9-46.7174.7176.353.4000111.3A112 P118 T120 K121 D122 N126 F127 L128 Y142 I153 L158A112-L124 HydrophobicContact CB-CD1 3.69Å; A112-L124 HydrophobicContact CB-CD2 3.98Å; P118-L124 HydrophobicContact CB-CB 3.87Å; P118-L124 HydrophobicContact CG-CB 3.84Å; P118-L124 HydrophobicContact CG-CD1 4.19Å; P118-L124 HydrophobicContact CG-CD2 4.43Å; P118-L124 HydrophobicContact CG-CG 4.37Å; T120-L124 PolarHBondContact O-N 3Å; K121-L124 WeakPolarHBondContact O-CB 3.32Å; K121-L124 PolarHBondContact O-N 3.44Å; D122-L124 VanDerWaalsContact C-N 3.34Å; L124-N126 VanDerWaalsContact C-N 3.25Å; L124-N126 PolarHBondContact O-N 3.46Å; L124-F127 WeakPolarHBondContact O-CB 3.46Å; L124-F127 PolarHBondContact O-N 3.46Å; L124-F127 VanDerWaalsContact O-N 3.09Å; L124-L128 HydrophobicContact CD1-CD1 4.06Å; L124-L128 HydrophobicContact CD1-CD2 4.2Å; L124-L128 HydrophobicContact CD1-CG 3.9Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.49Å; L124-L128 PolarHBondContact O-N 3.01Å; L124-Y142 HydrophobicContact CD2-CE2 4.39Å; L124-I153 HydrophobicContact CB-CD1 3.95Å; L124-I153 HydrophobicContact CD2-CD1 3.84Å; L124-I153 HydrophobicContact CD2-CG2 4.47Å; L124-L158 HydrophobicContact CD2-CD1 3.43Å; L124-L158 VanDerWaalsContact CD2-CD1 3.43Å; L124-L158 HydrophobicContact CG-CD1 3.86Å
125I98.9Very high98.7Very high8 Ų863 Ų634%0.04131%0.312CS..Hα-helixtrans-57.4-40.7176.9-70.8171.5000110.8K121 D122 F127 L128 K129 L158 I162 K165K121-I125 VanDerWaalsContact O-CG1 3.32Å; K121-I125 WeakPolarHBondContact O-CG1 3.4Å; K121-I125 PolarHBondContact O-N 3.29Å; D122-I125 PolarHBondContact O-N 3.16Å; I125-F127 PolarHBondContact O-N 2.99Å; I125-L128 PolarHBondContact O-N 2.93Å; I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 PolarHBondContact O-N 2.9Å; I125-L158 HydrophobicContact CG1-CG 4.25Å; I125-I162 HydrophobicContact CD1-CD1 3.91Å; I125-I162 HydrophobicContact CG1-CD1 3.74Å; I125-I162 HydrophobicContact CG2-CD1 4.08Å; I125-K165 HydrophobicContact CG2-CB 3.63Å; I125-K165 HydrophobicContact CG2-CG 3.92Å
126N98.9Very high98.7Very high79 Ų7960.1 Ų60.142%0.42231%0.309SS..Hα-helixtrans-60.8-44.7176.1-75.6-34.6000112D122 I123 L124 K129 E130D122-N126 WeakPolarHBondContact O-CB 3.39Å; D122-N126 VanDerWaalsContact O-CG 3.28Å; D122-N126 PolarHBondContact O-N 3.34Å; D122-N126 PolarHBondContact O-ND2 2.97Å; I123-N126 PolarHBondContact O-N 3.38Å; L124-N126 VanDerWaalsContact C-N 3.25Å; L124-N126 PolarHBondContact O-N 3.46Å; N126-K129 PolarHBondContact O-N 2.79Å; N126-E130 VanDerWaalsContact O-CG 3.27Å; N126-E130 WeakPolarHBondContact O-CG 3.48Å; N126-E130 PolarHBondContact O-N 2.95Å; N126-E130 VanDerWaalsContact O-N 3.16Å
127F98.9Very high98.6Very high31 Ų3156.5 Ų56.514%0.13630%0.3CS..Hα-helixtrans-60.3-49.2173.6179-83.8000111.8L90 V110 P113 I123 L124 I125 K129 E130 V131L90-F127 HydrophobicContact CB-CD2 4.24Å; L90-F127 HydrophobicContact CB-CE2 3.76Å; L90-F127 HydrophobicContact CD1-CD2 3.88Å; L90-F127 HydrophobicContact CD1-CE2 3.79Å; L90-F127 HydrophobicContact CD1-CG 4.39Å; L90-F127 HydrophobicContact CD1-CZ 4.2Å; L90-F127 HydrophobicContact CG-CE2 4.34Å; V110-F127 HydrophobicContact CG1-CE1 4.06Å; P113-F127 HydrophobicContact CB-CE2 4.23Å; P113-F127 HydrophobicContact CB-CZ 4.16Å; P113-F127 HydrophobicContact CG-CD1 4.01Å; P113-F127 HydrophobicContact CG-CD2 3.91Å; P113-F127 HydrophobicContact CG-CE1 4.03Å; P113-F127 HydrophobicContact CG-CE2 3.91Å; P113-F127 HydrophobicContact CG-CG 3.96Å; P113-F127 HydrophobicContact CG-CZ 3.98Å; I123-F127 PolarHBondContact O-N 2.92Å; L124-F127 WeakPolarHBondContact O-CB 3.46Å; L124-F127 PolarHBondContact O-N 3.46Å; L124-F127 VanDerWaalsContact O-N 3.09Å; I125-F127 PolarHBondContact O-N 2.99Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.84Å; F127-E130 PolarHBondContact O-N 3.22Å; F127-V131 HydrophobicContact CD1-CG2 4.37Å; F127-V131 HydrophobicContact CE1-CG2 3.98Å; F127-V131 HydrophobicContact CZ-CG2 4.36Å; F127-V131 PolarHBondContact O-N 3.18Å
128L98.9Very high98.5Very high0 Ų052.8 Ų52.80%029%0.285CS..Hα-helixtrans-61.8-39.8-178.3-64.1176.1000111.8V110 L124 I125 V131 A132 F140 Y142 L158 I166V110-L128 HydrophobicContact CB-CD2 3.88Å; V110-L128 HydrophobicContact CG1-CD2 3.53Å; L124-L128 HydrophobicContact CD1-CD1 4.06Å; L124-L128 HydrophobicContact CD1-CD2 4.2Å; L124-L128 HydrophobicContact CD1-CG 3.9Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.49Å; L124-L128 PolarHBondContact O-N 3.01Å; I125-L128 PolarHBondContact O-N 2.93Å; L128-V131 PolarHBondContact O-N 3.07Å; L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.22Å; L128-F140 HydrophobicContact CB-CE1 4.36Å; L128-F140 HydrophobicContact CB-CZ 3.92Å; L128-F140 HydrophobicContact CD2-CZ 3.99Å; L128-F140 HydrophobicContact CG-CZ 4.44Å; L128-Y142 HydrophobicContact CD1-CD2 3.86Å; L128-Y142 HydrophobicContact CD1-CE2 4.23Å; L128-Y142 HydrophobicContact CD2-CD2 4.23Å; L128-L158 HydrophobicContact CD1-CD1 4Å; L128-L158 HydrophobicContact CD1-CD2 4.32Å; L128-I166 HydrophobicContact CB-CD1 3.63Å
129K98.9Very high98.6Very high73 Ų7352.5 Ų52.532%0.31728%0.283SS..Hα-helixtrans-61.2-45.8176.6178.5-171.172.7179.90112I125 N126 F127 V131 A132 A133 K165 I166I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 PolarHBondContact O-N 2.9Å; N126-K129 PolarHBondContact O-N 2.79Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.84Å; K129-V131 VanDerWaalsContact C-N 3.25Å; K129-V131 PolarHBondContact O-N 3.36Å; K129-A132 PolarHBondContact O-N 2.84Å; K129-A133 VanDerWaalsContact O-CB 3.31Å; K129-A133 WeakPolarHBondContact O-CB 3.25Å; K129-A133 PolarHBondContact O-N 3.19Å; K129-K165 WeakPolarHBondContact CG-O 3.44Å; K129-I166 HydrophobicContact CB-CD1 4.46Å; K129-I166 HydrophobicContact CB-CG1 4.07Å
130E98.9Very high98.6Very high87 Ų8741.3 Ų41.341%0.40724%0.24SC..Hα-helixtrans-62.5-33.3178.9-67.5-68.5165.100112L90 Q94 N126 F127L90-E130 HydrophobicContact CD1-CB 3.85Å; L90-E130 HydrophobicContact CD2-CB 4.08Å; L90-E130 HydrophobicContact CD2-CG 4.34Å; Q94-E130 PolarHBondContact NE2-O 3.29Å; Q94-E130 VanDerWaalsContact NE2-O 3.12Å; N126-E130 VanDerWaalsContact O-CG 3.27Å; N126-E130 WeakPolarHBondContact O-CG 3.48Å; N126-E130 PolarHBondContact O-N 2.95Å; N126-E130 VanDerWaalsContact O-N 3.16Å; F127-E130 PolarHBondContact O-N 3.22Å
131V98.9Very high98.6Very high0 Ų038.8 Ų38.80%022%0.224CC..Hα-helixtrans-74.8-46.2173.6-178.30000111.3V85 L90 S93 A97 V110 F127 L128 K129 A133 A134V85-V131 HydrophobicContact CG2-CG1 4.03Å; L90-V131 HydrophobicContact CD1-CG2 3.58Å; S93-V131 WeakPolarHBondContact OG-CG1 3.5Å; S93-V131 WeakPolarHBondContact OG-CG2 3.37Å; A97-V131 HydrophobicContact CB-CG1 3.89Å; V110-V131 HydrophobicContact CG2-CB 4.35Å; V110-V131 HydrophobicContact CG2-CG1 3.68Å; F127-V131 HydrophobicContact CD1-CG2 4.37Å; F127-V131 HydrophobicContact CE1-CG2 3.98Å; F127-V131 HydrophobicContact CZ-CG2 4.36Å; F127-V131 PolarHBondContact O-N 3.18Å; L128-V131 PolarHBondContact O-N 3.07Å; K129-V131 VanDerWaalsContact C-N 3.25Å; K129-V131 PolarHBondContact O-N 3.36Å; V131-A133 VanDerWaalsContact C-N 3.25Å; V131-A133 PolarHBondContact O-N 3.31Å; V131-A134 WeakPolarHBondContact O-CB 3.35Å; V131-A134 PolarHBondContact O-N 2.77Å; V131-A134 VanDerWaalsContact O-N 3.13Å
132A98.8Very high98.6Very high4 Ų436.2 Ų36.23%0.03321%0.213CC..Hα-helixtrans-59.7-36.7178.600000112.3L128 K129 A134 A135 F140 I166L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.22Å; K129-A132 PolarHBondContact O-N 2.84Å; A132-A134 PolarHBondContact O-N 3.39Å; A132-A135 CarbonylContact O-C 3.59Å; A132-A135 VanDerWaalsContact O-C 3.23Å; A132-A135 PolarHBondContact O-N 3.24Å; A132-A135 VanDerWaalsContact O-N 3.08Å; A132-F140 HydrophobicContact CB-CD2 3.47Å; A132-F140 VanDerWaalsContact CB-CD2 3.47Å; A132-F140 HydrophobicContact CB-CE2 3.74Å; A132-F140 HydrophobicContact CB-CG 4.07Å; A132-I166 HydrophobicContact CB-CG2 3.57Å
133A98.8Very high98.6Very high63 Ų6332.1 Ų32.152%0.52119%0.19SC..THydrogen-bonded Turntrans-65.6-23.1178.400000113.7K129 V131 A135 P136K129-A133 VanDerWaalsContact O-CB 3.31Å; K129-A133 WeakPolarHBondContact O-CB 3.25Å; K129-A133 PolarHBondContact O-N 3.19Å; V131-A133 VanDerWaalsContact C-N 3.25Å; V131-A133 PolarHBondContact O-N 3.31Å; A133-A135 PolarHBondContact O-N 3.03Å; A133-P136 WeakPolarHBondContact O-CD 3.3Å
134A98.8Very high98.6Very high27 Ų2728.3 Ų28.322%0.22317%0.17CC..THydrogen-bonded Turntrans-74.1-15173.900000113Q94 A97 V131 A132Q94-A134 HydrophobicContact CB-CB 4.13Å; Q94-A134 HydrophobicContact CG-CB 4.32Å; A97-A134 HydrophobicContact CB-CB 4.05Å; V131-A134 WeakPolarHBondContact O-CB 3.35Å; V131-A134 PolarHBondContact O-N 2.77Å; V131-A134 VanDerWaalsContact O-N 3.13Å; A132-A134 PolarHBondContact O-N 3.39Å
135A98.5Very high98.6Very high1 Ų129.4 Ų29.41%0.00818%0.176CC..SBendtrans-132.363.4174.800000110.7A97 A101 I108 A132 A133 A137 L138A97-A135 HydrophobicContact CB-CB 4.25Å; A97-A135 WeakPolarHBondContact O-CB 3.44Å; A101-A135 HydrophobicContact CB-CB 4.15Å; I108-A135 HydrophobicContact CD1-CB 3.82Å; A132-A135 CarbonylContact O-C 3.59Å; A132-A135 VanDerWaalsContact O-C 3.23Å; A132-A135 PolarHBondContact O-N 3.24Å; A132-A135 VanDerWaalsContact O-N 3.08Å; A133-A135 PolarHBondContact O-N 3.03Å; A135-A137 PolarHBondContact O-N 3.39Å; A135-L138 HydrophobicContact CB-CB 4.2Å; A135-L138 HydrophobicContact CB-CD1 4.47Å; A135-L138 PolarHBondContact O-N 2.82Å
136P98.1Very high98.6Very high99 Ų9930.4 Ų30.464%0.64318%0.183SC*.THydrogen-bonded Turntrans-69.4-6.3-162.930.2-37.4000114.6A133 T168A133-P136 WeakPolarHBondContact O-CD 3.3Å; P136-T168 WeakPolarHBondContact O-CG2 3.5Å
137A96.8Very high98.6Very high69 Ų6931.4 Ų31.457%0.5720%0.203SC*.THydrogen-bonded Turntrans-118.98.4177.900000113.2F3 A135F3-A137 VanDerWaalsContact CZ-O 3.22Å; F3-A137 WeakPolarHBondContact CZ-O 3.47Å; A135-A137 PolarHBondContact O-N 3.39Å
138L97.6Very high98.5Very high18 Ų1833.8 Ų33.89%0.09422%0.216CC..SBendtrans-101.5139.2174.3-89.776.5000110.8A101 A105 I108 A135 F140 T168A101-L138 HydrophobicContact CB-CD1 3.48Å; A101-L138 VanDerWaalsContact CB-CD1 3.48Å; A105-L138 HydrophobicContact CB-CD2 4.14Å; I108-L138 HydrophobicContact CG2-CD2 4.02Å; A135-L138 HydrophobicContact CB-CB 4.2Å; A135-L138 HydrophobicContact CB-CD1 4.47Å; A135-L138 PolarHBondContact O-N 2.82Å; L138-F140 PolarHBondContact O-N 2.89Å; L138-T168 VanDerWaalsContact O-CB 3.31Å; L138-T168 WeakPolarHBondContact O-CB 3.46Å
139P98.4Very high98.5Very high9 Ų934.1 Ų34.16%0.05822%0.218CC..  trans-48.9128164.6-30.738.6000112.1F3 D106 G107 I108 Y141 Q170F3-P139 HydrophobicContact CE1-CG 4.1Å; F3-P139 HydrophobicContact CZ-CG 4.38Å; D106-P139 VanDerWaalsContact O-CD 3.26Å; D106-P139 WeakPolarHBondContact O-CD 3.43Å; D106-P139 VanDerWaalsContact O-CG 3.3Å; D106-P139 WeakPolarHBondContact O-CG 3.31Å; G107-P139 CarbonylContact C-O 3.59Å; G107-P139 WeakPolarHBondContact CA-O 3.46Å; I108-P139 PolarHBondContact N-O 3.07Å; P139-Y141 HydrophobicContact CB-CE2 3.78Å; P139-Q170 HydrophobicContact CB-CB 4.02Å; P139-Q170 HydrophobicContact CB-CG 3.85Å; P139-Q170 HydrophobicContact CG-CG 4.46Å
140F98.8Very high98.5Very high0 Ų032.4 Ų32.40%022%0.222CC..EExtended strand (participates in β ladder)trans-107.2130.5178.5-176.2-82000110.8I108 V110 L128 A132 L138 I166 T168 F169 Q170I108-F140 HydrophobicContact CD1-CD2 3.82Å; I108-F140 HydrophobicContact CD1-CE2 4.38Å; I108-F140 HydrophobicContact CG1-CD2 4Å; I108-F140 CarbonylContact O-C 3.56Å; I108-F140 WeakPolarHBondContact O-CA 3.35Å; V110-F140 HydrophobicContact CB-CE2 4.06Å; V110-F140 HydrophobicContact CB-CZ 3.74Å; V110-F140 HydrophobicContact CG2-CD2 4.41Å; V110-F140 HydrophobicContact CG2-CE2 3.42Å; V110-F140 VanDerWaalsContact CG2-CE2 3.42Å; V110-F140 HydrophobicContact CG2-CZ 3.67Å; L128-F140 HydrophobicContact CB-CE1 4.36Å; L128-F140 HydrophobicContact CB-CZ 3.92Å; L128-F140 HydrophobicContact CD2-CZ 3.99Å; L128-F140 HydrophobicContact CG-CZ 4.44Å; A132-F140 HydrophobicContact CB-CD2 3.47Å; A132-F140 VanDerWaalsContact CB-CD2 3.47Å; A132-F140 HydrophobicContact CB-CE2 3.74Å; A132-F140 HydrophobicContact CB-CG 4.07Å; L138-F140 PolarHBondContact O-N 2.89Å; F140-I166 HydrophobicContact CB-CG2 4.47Å; F140-I166 HydrophobicContact CD1-CG2 4.22Å; F140-I166 HydrophobicContact CE1-CD1 4.43Å; F140-I166 HydrophobicContact CG-CG2 4.27Å; F140-T168 PolarHBondContact N-O 3.43Å; F140-F169 AromaticContact CD1-CD2 3.82Å; F140-F169 HydrophobicContact CD1-CD2 3.82Å; F140-F169 HydrophobicContact CD1-CE2 4.34Å; F140-F169 HydrophobicContact CE1-CD2 4.28Å; F140-Q170 PolarHBondContact O-N 2.94Å
141Y98.9Very high98.5Very high12 Ų1228.5 Ų28.55%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-120.6133.3177.1-55.9-86000111.2L8 V82 I108 A109 V110 P139 Q170 G171 A195L8-Y141 HydrophobicContact CB-CE1 4.29Å; L8-Y141 WeakPolarHBondContact CB-OH 3.43Å; L8-Y141 HydrophobicContact CD2-CE1 4Å; L8-Y141 HydrophobicContact CD2-CE2 4.09Å; V82-Y141 HydrophobicContact CG1-CD2 4.1Å; V82-Y141 HydrophobicContact CG1-CE2 4.5Å; V82-Y141 HydrophobicContact CG2-CE2 4.16Å; I108-Y141 WeakPolarHBondContact O-CD2 3.37Å; I108-Y141 PolarHBondContact O-N 3.32Å; A109-Y141 CarbonylContact C-O 3.48Å; A109-Y141 WeakPolarHBondContact CA-O 3.42Å; V110-Y141 PolarHBondContact N-O 2.91Å; P139-Y141 HydrophobicContact CB-CE2 3.78Å; Y141-Q170 HydrophobicContact CE1-CB 3.99Å; Y141-G171 VanDerWaalsContact CA-O 3.29Å; Y141-G171 WeakPolarHBondContact CA-O 3.36Å; Y141-A195 HydrophobicContact CE1-CB 4.05Å
142Y98.9Very high98.5Very high3 Ų338.4 Ų38.41%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-81.5131.6170.6176.3-127000110.5V110 A112 L124 L128 H144 L158 G171 L172 K173V110-Y142 WeakPolarHBondContact O-CD2 3.34Å; A112-Y142 HydrophobicContact CB-CE2 4.29Å; L124-Y142 HydrophobicContact CD2-CE2 4.39Å; L128-Y142 HydrophobicContact CD1-CD2 3.86Å; L128-Y142 HydrophobicContact CD1-CE2 4.23Å; L128-Y142 HydrophobicContact CD2-CD2 4.23Å; Y142-H144 HydrophobicContact CD1-CB 4.02Å; Y142-H144 HydrophobicContact CE1-CB 3.55Å; Y142-H144 AromaticContact CE1-ND1 3.69Å; Y142-L158 HydrophobicContact CD1-CD1 4.26Å; Y142-L158 HydrophobicContact CD1-CD2 4.07Å; Y142-L158 HydrophobicContact CE1-CD1 3.94Å; Y142-L158 HydrophobicContact CE2-CD1 4.33Å; Y142-L158 HydrophobicContact CG-CD2 4.28Å; Y142-G171 PolarHBondContact N-O 2.92Å; Y142-L172 HydrophobicContact CD1-CD1 3.65Å; Y142-L172 HydrophobicContact CE1-CD1 4.42Å; Y142-L172 HydrophobicContact CG-CD1 4.43Å; Y142-K173 PolarHBondContact O-N 2.98Å
143Y98.9Very high98.4Very high6 Ų638.8 Ų38.82%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-100.199.5172.8-178.9-164000110F47 T51 H84 V110 I111 I145 K173F47-Y143 HydrophobicContact CE1-CD1 4.35Å; F47-Y143 HydrophobicContact CE1-CE1 4.3Å; F47-Y143 AromaticContact CZ-CD1 3.94Å; F47-Y143 HydrophobicContact CZ-CD1 3.94Å; F47-Y143 HydrophobicContact CZ-CE1 4.35Å; F47-Y143 HydrophobicContact CZ-CG 4.28Å; T51-Y143 PolarHBondContact OG1-OH 2.84Å; H84-Y143 AromaticContact CD2-CD1 3.97Å; H84-Y143 AromaticContact NE2-CD1 3.94Å; V110-Y143 PolarHBondContact O-N 2.79Å; I111-Y143 HydrophobicContact CB-CD1 4Å; I111-Y143 HydrophobicContact CB-CG 4.45Å; I111-Y143 HydrophobicContact CD1-CD1 4.27Å; I111-Y143 HydrophobicContact CD1-CE1 4.28Å; I111-Y143 HydrophobicContact CG1-CD1 4.28Å; Y143-I145 HydrophobicContact CD2-CB 4.29Å; Y143-I145 HydrophobicContact CD2-CG2 4.08Å; Y143-I145 HydrophobicContact CE1-CG2 4.17Å; Y143-I145 HydrophobicContact CE2-CB 3.72Å; Y143-I145 HydrophobicContact CE2-CD1 4.18Å; Y143-I145 HydrophobicContact CE2-CG2 3.69Å; Y143-I145 VanDerWaalsContact OH-CD1 3.32Å; Y143-I145 WeakPolarHBondContact OH-CD1 3.48Å; Y143-K173 HydrophobicContact CD2-CB 4.17Å; Y143-K173 HydrophobicContact CD2-CD 3.46Å; Y143-K173 VanDerWaalsContact CD2-CD 3.46Å; Y143-K173 HydrophobicContact CD2-CG 3.76Å; Y143-K173 HydrophobicContact CE2-CD 3.54Å; Y143-K173 HydrophobicContact CE2-CG 4.05Å; Y143-K173 HydrophobicContact CG-CD 4.07Å; Y143-K173 VanDerWaalsContact CZ-NZ 3.26Å; Y143-K173 PolarHBondContact OH-NZ 2.83Å
144H98.9Very high98.4Very high5 Ų539.2 Ų39.22%0.02324%0.236CC..EExtended strand (participates in β ladder)trans-90.3118.3176.6-174.776.8000110.5Y142 P146 I153 L172 K173 F174 S175Y142-H144 HydrophobicContact CD1-CB 4.02Å; Y142-H144 HydrophobicContact CE1-CB 3.55Å; Y142-H144 AromaticContact CE1-ND1 3.69Å; H144-P146 WeakPolarHBondContact NE2-CD 3.4Å; H144-I153 PolarHBondContact CE1-O 3.28Å; H144-L172 HydrophobicContact CB-CD1 3.86Å; H144-K173 PolarHBondContact N-O 3.44Å; H144-F174 HydrophobicContact CB-CD2 4.28Å; H144-F174 AromaticContact CD2-CD2 3.42Å; H144-F174 VanDerWaalsContact CD2-CD2 3.42Å; H144-F174 WeakPolarHBondContact CD2-CD2 3.46Å; H144-F174 AromaticContact CD2-CE2 3.35Å; H144-F174 WeakPolarHBondContact CD2-CE2 3.14Å; H144-F174 AromaticContact NE2-CE2 3.68Å; H144-S175 PolarHBondContact O-N 2.92Å
145I98.8Very high98.4Very high23 Ų2337.9 Ų37.912%0.11823%0.225CC..  trans-152.472.2178.1-174.5167.2000110.7I111 Y143 A147 L148 T149I111-I145 HydrophobicContact CD1-CG2 3.46Å; I111-I145 VanDerWaalsContact CD1-CG2 3.46Å; I111-I145 HydrophobicContact CG1-CG2 3.95Å; Y143-I145 HydrophobicContact CD2-CB 4.29Å; Y143-I145 HydrophobicContact CD2-CG2 4.08Å; Y143-I145 HydrophobicContact CE1-CG2 4.17Å; Y143-I145 HydrophobicContact CE2-CB 3.72Å; Y143-I145 HydrophobicContact CE2-CD1 4.18Å; Y143-I145 HydrophobicContact CE2-CG2 3.69Å; Y143-I145 VanDerWaalsContact OH-CD1 3.32Å; Y143-I145 WeakPolarHBondContact OH-CD1 3.48Å; I145-A147 VanDerWaalsContact C-N 3.26Å; I145-A147 PolarHBondContact O-N 2.85Å; I145-L148 HydrophobicContact CD1-CB 4.18Å; I145-L148 HydrophobicContact CD1-CD1 4.47Å; I145-L148 HydrophobicContact CG1-CB 4Å; I145-L148 HydrophobicContact CG2-CB 4.42Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-L148 VanDerWaalsContact O-N 3.13Å; I145-T149 HydrophobicContact CG2-CG2 4.14Å; I145-T149 PolarHBondContact O-N 2.93Å; I145-T149 VanDerWaalsContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 3.09Å
146P98.6Very high98.5Very high30 Ų3039.8 Ų39.820%0.19523%0.234CC..Hα-helixtrans-63.5-29.8-171.624.6-33.7000113.1H144 L148 T149 G150 D176H144-P146 WeakPolarHBondContact NE2-CD 3.4Å; P146-L148 PolarHBondContact O-N 3.04Å; P146-T149 PolarHBondContact O-N 3.21Å; P146-G150 WeakPolarHBondContact O-CA 3.28Å; P146-G150 PolarHBondContact O-N 2.97Å; P146-D176 HydrophobicContact CG-CB 3.9Å; P146-D176 WeakPolarHBondContact CG-OD2 3.33Å
147A98.1Very high98.5Very high100 Ų10038.9 Ų38.983%0.82622%0.221SC*.Hα-helixtrans-58.3-30.217600000113.2I145I145-A147 VanDerWaalsContact C-N 3.26Å; I145-A147 PolarHBondContact O-N 2.85Å
148L97.8Very high98.6Very high81 Ų8135.6 Ų35.642%0.42419%0.194SC..Hα-helixtrans-94.5-43.1177.9-169.7154.6000111.8T51 I111 F114 I145 P146T51-L148 HydrophobicContact CG2-CD1 3.74Å; I111-L148 HydrophobicContact CD1-CD2 4.38Å; F114-L148 HydrophobicContact CE1-CD2 4.3Å; F114-L148 HydrophobicContact CZ-CD2 4.43Å; I145-L148 HydrophobicContact CD1-CB 4.18Å; I145-L148 HydrophobicContact CD1-CD1 4.47Å; I145-L148 HydrophobicContact CG1-CB 4Å; I145-L148 HydrophobicContact CG2-CB 4.42Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-L148 VanDerWaalsContact O-N 3.13Å; P146-L148 PolarHBondContact O-N 3.04Å
149T98.6Very high98.6Very high6 Ų634.8 Ų34.84%0.03719%0.19CC..Hα-helixtrans-81.6-28.2-173.463.50000113.3I111 F114 K117 I145 P146 V151I111-T149 HydrophobicContact CD1-CG2 3.53Å; I111-T149 HydrophobicContact CG1-CG2 3.58Å; F114-T149 HydrophobicContact CB-CG2 4.33Å; F114-T149 VanDerWaalsContact CB-O 3.32Å; F114-T149 WeakPolarHBondContact CB-O 3.25Å; F114-T149 HydrophobicContact CD1-CG2 4.02Å; F114-T149 HydrophobicContact CG-CG2 4.5Å; K117-T149 WeakPolarHBondContact CE-O 3.49Å; I145-T149 HydrophobicContact CG2-CG2 4.14Å; I145-T149 PolarHBondContact O-N 2.93Å; I145-T149 VanDerWaalsContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 3.09Å; P146-T149 PolarHBondContact O-N 3.21Å; T149-V151 PolarHBondContact O-N 3.3Å; T149-V151 PolarHBondContact OG1-N 3.33Å
150G98.6Very high98.6Very high38 Ų3839.6 Ų39.639%0.39222%0.215SC..  trans62.414.2-16800000114K117 P146K117-G150 WeakPolarHBondContact CE-O 3.3Å; P146-G150 WeakPolarHBondContact O-CA 3.28Å; P146-G150 PolarHBondContact O-N 2.97Å
151V98.6Very high98.5Very high5 Ų541.3 Ų41.33%0.0323%0.233CC..  trans-79.5120.9176.2175.10000108.5A112 K117 P118 T149 I153A112-V151 HydrophobicContact CB-CB 4.34Å; A112-V151 HydrophobicContact CB-CG1 4.26Å; A112-V151 HydrophobicContact CB-CG2 4.03Å; K117-V151 HydrophobicContact CB-CG2 4.37Å; K117-V151 HydrophobicContact CG-CG2 4.07Å; P118-V151 HydrophobicContact CG-CG1 4.14Å; T149-V151 PolarHBondContact O-N 3.3Å; T149-V151 PolarHBondContact OG1-N 3.33Å; V151-I153 HydrophobicContact CG1-CB 4.19Å; V151-I153 HydrophobicContact CG1-CD1 3.86Å; V151-I153 HydrophobicContact CG1-CG1 4.06Å; V151-I153 PolarHBondContact O-N 3.26Å
152K98Very high98.5Very high207 Ų20740.9 Ų40.990%0.923%0.231SC*.  trans-9854-175.1-57.4-170.5179.3-1680112
153I98.7Very high98.5Very high12 Ų1244 Ų446%0.06225%0.246CC..  trans-118.5119.4174.9-64.3164.5000106P118 T120 K121 L124 H144 V151 L158P118-I153 HydrophobicContact CB-CD1 4.39Å; P118-I153 HydrophobicContact CG-CD1 4.03Å; T120-I153 WeakPolarHBondContact O-CD1 3.45Å; K121-I153 HydrophobicContact CB-CG2 3.92Å; L124-I153 HydrophobicContact CB-CD1 3.95Å; L124-I153 HydrophobicContact CD2-CD1 3.84Å; L124-I153 HydrophobicContact CD2-CG2 4.47Å; H144-I153 PolarHBondContact CE1-O 3.28Å; V151-I153 HydrophobicContact CG1-CB 4.19Å; V151-I153 HydrophobicContact CG1-CD1 3.86Å; V151-I153 HydrophobicContact CG1-CG1 4.06Å; V151-I153 PolarHBondContact O-N 3.26Å; I153-L158 HydrophobicContact CG2-CB 4.46Å
154R98.8Very high98.4Very high72 Ų7250.5 Ų50.527%0.27228%0.281SS..  trans-68.5146.7179.7-71.617959.9-112.1-3.4110.3E156 E157 L158 D181R154-E156 IonicContact CZ-OE1 3.26Å; R154-E156 VanDerWaalsContact CZ-OE1 3.3Å; R154-E156 IonicContact NH1-OE1 2.97Å; R154-E156 PolarHBondContact NH1-OE1 2.88Å; R154-E156 IonicContact NH2-OE1 2.91Å; R154-E156 PolarHBondContact NH2-OE1 2.89Å; R154-E157 HydrophobicContact CB-CG 4.17Å; R154-E157 WeakPolarHBondContact CD-OE1 3.41Å; R154-E157 IonicContact CZ-OE1 3.18Å; R154-E157 IonicContact NH1-OE1 3.1Å; R154-E157 PolarHBondContact NH1-OE1 3.28Å; R154-L158 PolarHBondContact O-N 3.07Å; R154-D181 WeakPolarHBondContact CA-OD2 3.36Å; R154-D181 IonicContact NH2-OD1 2.69Å
155A98.8Very high98.4Very high0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-67.7-41.5-175.400000111.3E157 L158 L159 L172 F174 D181 C185A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.34Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.84Å; A155-L158 VanDerWaalsContact O-N 3.14Å; A155-L159 WeakPolarHBondContact O-CD1 3.5Å; A155-L159 PolarHBondContact O-N 3.12Å; A155-L172 HydrophobicContact CB-CD1 4.19Å; A155-L172 HydrophobicContact CB-CD2 4.03Å; A155-F174 HydrophobicContact CB-CD2 3.77Å; A155-F174 HydrophobicContact CB-CE2 3.7Å; A155-D181 PolarHBondContact N-OD1 2.88Å; A155-D181 VanDerWaalsContact N-OD1 3.16Å; A155-D181 PolarHBondContact N-OD2 2.93Å; A155-C185 VanDerWaalsContact C-SG 3.57Å; A155-C185 VanDerWaalsContact CB-SG 3.59Å
156E98.8Very high98.4Very high41 Ų4155 Ų5519%0.19230%0.3CS..Hα-helixtrans-61.8-40.5-17966.692.1161.900111.8R154 L158 L159 D160 D181 Q184 C185R154-E156 IonicContact CZ-OE1 3.26Å; R154-E156 VanDerWaalsContact CZ-OE1 3.3Å; R154-E156 IonicContact NH1-OE1 2.97Å; R154-E156 PolarHBondContact NH1-OE1 2.88Å; R154-E156 IonicContact NH2-OE1 2.91Å; R154-E156 PolarHBondContact NH2-OE1 2.89Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 2.93Å; E156-L159 PolarHBondContact O-N 2.85Å; E156-L159 VanDerWaalsContact O-N 3.14Å; E156-D160 PolarHBondContact O-N 3.22Å; E156-D160 VanDerWaalsContact O-N 3.08Å; E156-D181 WeakPolarHBondContact CB-OD1 3.3Å; E156-D181 WeakPolarHBondContact CG-OD1 3.24Å; E156-D181 PolarHBondContact N-OD1 3.48Å; E156-Q184 HydrophobicContact CB-CB 3.86Å; E156-Q184 HydrophobicContact CG-CB 3.97Å; E156-C185 WeakPolarHBondContact CA-SG 3.12Å; E156-C185 PolarHBondContact N-SG 3.43Å
157E98.7Very high98.3Very high79 Ų7958.5 Ų58.537%0.36932%0.323SS..Hα-helixtrans-64.6-34.5178.4-66.3173.3-146.800111.9K121 R154 A155K121-E157 HydrophobicContact CD-CB 4.42Å; K121-E157 VanDerWaalsContact CD-O 3.28Å; K121-E157 WeakPolarHBondContact CD-O 3.43Å; K121-E157 PolarHBondContact NZ-O 2.84Å; R154-E157 HydrophobicContact CB-CG 4.17Å; R154-E157 WeakPolarHBondContact CD-OE1 3.41Å; R154-E157 IonicContact CZ-OE1 3.18Å; R154-E157 IonicContact NH1-OE1 3.1Å; R154-E157 PolarHBondContact NH1-OE1 3.28Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.34Å
158L98.8Very high98.3Very high0 Ų054.6 Ų54.60%029%0.288CS..Hα-helixtrans-72.3-37.2176.2-174.6149.1000111.7L124 I125 L128 Y142 I153 R154 A155 E156 I162L124-L158 HydrophobicContact CD2-CD1 3.43Å; L124-L158 VanDerWaalsContact CD2-CD1 3.43Å; L124-L158 HydrophobicContact CG-CD1 3.86Å; I125-L158 HydrophobicContact CG1-CG 4.25Å; L128-L158 HydrophobicContact CD1-CD1 4Å; L128-L158 HydrophobicContact CD1-CD2 4.32Å; Y142-L158 HydrophobicContact CD1-CD1 4.26Å; Y142-L158 HydrophobicContact CD1-CD2 4.07Å; Y142-L158 HydrophobicContact CE1-CD1 3.94Å; Y142-L158 HydrophobicContact CE2-CD1 4.33Å; Y142-L158 HydrophobicContact CG-CD2 4.28Å; I153-L158 HydrophobicContact CG2-CB 4.46Å; R154-L158 PolarHBondContact O-N 3.07Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.84Å; A155-L158 VanDerWaalsContact O-N 3.14Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 2.93Å; L158-I162 HydrophobicContact CD2-CD1 4.17Å; L158-I162 HydrophobicContact CD2-CG1 4.4Å; L158-I162 WeakPolarHBondContact O-CD1 3.4Å
159L98.6Very high98.4Very high1 Ų150.7 Ų50.71%0.00527%0.268CS..Hα-helixtrans-73.5-26.8-178.8-95.460.7000112.8A155 E156 G161 I162 F169 L172 C185 F196A155-L159 WeakPolarHBondContact O-CD1 3.5Å; A155-L159 PolarHBondContact O-N 3.12Å; E156-L159 PolarHBondContact O-N 2.85Å; E156-L159 VanDerWaalsContact O-N 3.14Å; L159-G161 PolarHBondContact O-N 2.86Å; L159-G161 VanDerWaalsContact O-N 3.07Å; L159-I162 WeakPolarHBondContact O-CB 3.34Å; L159-I162 VanDerWaalsContact O-CG2 3.25Å; L159-I162 WeakPolarHBondContact O-CG2 3.46Å; L159-I162 PolarHBondContact O-N 2.87Å; L159-F169 HydrophobicContact CD1-CE1 4.25Å; L159-F169 HydrophobicContact CD1-CE2 4.47Å; L159-F169 HydrophobicContact CD1-CZ 3.65Å; L159-F169 HydrophobicContact CG-CE1 4.05Å; L159-F169 HydrophobicContact CG-CZ 3.97Å; L159-L172 HydrophobicContact CD2-CD2 4.34Å; L159-C185 HydrophobicContact CD2-CB 4.04Å; L159-F196 HydrophobicContact CD2-CE1 3.92Å
160D98.1Very high98.4Very high110 Ų11052.9 Ų52.959%0.58828%0.278SS*.THydrogen-bonded Turntrans-55.5111.9176.8-179.323.7000112.1E156 I162E156-D160 PolarHBondContact O-N 3.22Å; E156-D160 VanDerWaalsContact O-N 3.08Å; D160-I162 VanDerWaalsContact C-N 3.25Å; D160-I162 PolarHBondContact O-N 2.86Å
161G96.9Very high98.4Very high36 Ų3651 Ų5137%0.37126%0.259SS..THydrogen-bonded Turntrans6815-177.200000115.1L159 Q163 D164L159-G161 PolarHBondContact O-N 2.86Å; L159-G161 VanDerWaalsContact O-N 3.07Å; G161-Q163 VanDerWaalsContact C-N 3.29Å; G161-Q163 PolarHBondContact O-N 3.48Å; G161-D164 WeakPolarHBondContact O-CB 3.49Å; G161-D164 PolarHBondContact O-N 3.39Å; G161-D164 VanDerWaalsContact O-N 3.13Å
162I98.6Very high98.4Very high3 Ų350.8 Ų50.82%0.01526%0.258CS..G310 helixtrans-60.9-33.5-168.9-166.556000113.9I125 L158 L159 D160 D164 K165 I166 F169 F194I125-I162 HydrophobicContact CD1-CD1 3.91Å; I125-I162 HydrophobicContact CG1-CD1 3.74Å; I125-I162 HydrophobicContact CG2-CD1 4.08Å; L158-I162 HydrophobicContact CD2-CD1 4.17Å; L158-I162 HydrophobicContact CD2-CG1 4.4Å; L158-I162 WeakPolarHBondContact O-CD1 3.4Å; L159-I162 WeakPolarHBondContact O-CB 3.34Å; L159-I162 VanDerWaalsContact O-CG2 3.25Å; L159-I162 WeakPolarHBondContact O-CG2 3.46Å; L159-I162 PolarHBondContact O-N 2.87Å; D160-I162 VanDerWaalsContact C-N 3.25Å; D160-I162 PolarHBondContact O-N 2.86Å; I162-D164 VanDerWaalsContact C-N 3.25Å; I162-D164 PolarHBondContact O-N 3.35Å; I162-K165 PolarHBondContact O-N 3.16Å; I162-I166 HydrophobicContact CD1-CD1 3.84Å; I162-I166 HydrophobicContact CD1-CG1 4.11Å; I162-I166 HydrophobicContact CG1-CD1 4.33Å; I162-I166 HydrophobicContact CG1-CG1 4.5Å; I162-I166 PolarHBondContact O-N 2.87Å; I162-F169 HydrophobicContact CG1-CB 4.48Å; I162-F169 HydrophobicContact CG1-CD2 3.71Å; I162-F169 HydrophobicContact CG1-CE2 4.06Å; I162-F169 HydrophobicContact CG1-CG 4.02Å; I162-F169 HydrophobicContact CG2-CB 4.25Å; I162-F169 HydrophobicContact CG2-CD1 3.6Å; I162-F169 HydrophobicContact CG2-CD2 4.22Å; I162-F169 HydrophobicContact CG2-CE1 3.96Å; I162-F169 HydrophobicContact CG2-CG 3.76Å; I162-F169 HydrophobicContact CG2-CZ 4.41Å; I162-F194 HydrophobicContact CG2-CE2 4.39Å; I162-F194 HydrophobicContact CG2-CZ 4.12Å
163Q97.8Very high98.4Very high68 Ų6841.4 Ų41.432%0.31822%0.217SC..G310 helixtrans-67.1-23.6-179.3-83.9-176.8-31.200113.6G161 K165 I166 P167 F169 F194G161-Q163 VanDerWaalsContact C-N 3.29Å; G161-Q163 PolarHBondContact O-N 3.48Å; Q163-K165 PolarHBondContact O-N 3.31Å; Q163-I166 CarbonylContact O-C 3.54Å; Q163-P167 WeakPolarHBondContact O-CA 3.32Å; Q163-F169 HydrophobicContact CG-CB 4.31Å; Q163-F169 PolarHBondContact NE2-O 3.06Å; Q163-F194 HydrophobicContact CG-CE1 4.05Å; Q163-F194 HydrophobicContact CG-CZ 3.88Å
164D98.1Very high98.4Very high143 Ų14340.8 Ų40.877%0.76521%0.214SC*.G310 helixtrans-67.7-22.8173.3-65.1-23.5000111.8G161 I162G161-D164 WeakPolarHBondContact O-CB 3.49Å; G161-D164 PolarHBondContact O-N 3.39Å; G161-D164 VanDerWaalsContact O-N 3.13Å; I162-D164 VanDerWaalsContact C-N 3.25Å; I162-D164 PolarHBondContact O-N 3.35Å
165K98.4Very high98.4Very high120 Ų12038.1 Ų38.152%0.52221%0.206SC..THydrogen-bonded Turntrans-104.1-35178.8-55.5-55.7-176-169.70112.4I125 K129 I162 Q163I125-K165 HydrophobicContact CG2-CB 3.63Å; I125-K165 HydrophobicContact CG2-CG 3.92Å; K129-K165 WeakPolarHBondContact CG-O 3.44Å; I162-K165 PolarHBondContact O-N 3.16Å; Q163-K165 PolarHBondContact O-N 3.31Å
166I98.6Very high98.4Very high2 Ų240.1 Ų40.11%0.0122%0.217CC..  trans-13084.3-177-50.4-175.7000108.3L128 K129 A132 F140 I162 Q163 T168 F169L128-I166 HydrophobicContact CB-CD1 3.63Å; K129-I166 HydrophobicContact CB-CD1 4.46Å; K129-I166 HydrophobicContact CB-CG1 4.07Å; A132-I166 HydrophobicContact CB-CG2 3.57Å; F140-I166 HydrophobicContact CB-CG2 4.47Å; F140-I166 HydrophobicContact CD1-CG2 4.22Å; F140-I166 HydrophobicContact CE1-CD1 4.43Å; F140-I166 HydrophobicContact CG-CG2 4.27Å; I162-I166 HydrophobicContact CD1-CD1 3.84Å; I162-I166 HydrophobicContact CD1-CG1 4.11Å; I162-I166 HydrophobicContact CG1-CD1 4.33Å; I162-I166 HydrophobicContact CG1-CG1 4.5Å; I162-I166 PolarHBondContact O-N 2.87Å; Q163-I166 CarbonylContact O-C 3.54Å; I166-T168 PolarHBondContact O-N 3.39Å; I166-T168 VanDerWaalsContact O-N 3.11Å; I166-F169 HydrophobicContact CB-CB 4.15Å; I166-F169 HydrophobicContact CG2-CB 4.04Å; I166-F169 WeakPolarHBondContact O-CB 3.37Å; I166-F169 PolarHBondContact O-N 2.92Å
167P97.9Very high98.4Very high104 Ų10441.9 Ų41.968%0.67523%0.231SC*.THydrogen-bonded Turntrans-61.5-23-175.6-2635.6000114.4Q163 F169Q163-P167 WeakPolarHBondContact O-CA 3.32Å; P167-F169 VanDerWaalsContact C-N 3.32Å
168T98.1Very high98.4Very high18 Ų1841.1 Ų41.111%0.1123%0.229CC..THydrogen-bonded Turntrans-84.7-0.8176.350.20000113.8P136 L138 F140 I166 Q170P136-T168 WeakPolarHBondContact O-CG2 3.5Å; L138-T168 VanDerWaalsContact O-CB 3.31Å; L138-T168 WeakPolarHBondContact O-CB 3.46Å; F140-T168 PolarHBondContact N-O 3.43Å; I166-T168 PolarHBondContact O-N 3.39Å; I166-T168 VanDerWaalsContact O-N 3.11Å; T168-Q170 WeakPolarHBondContact O-CG 3.35Å; T168-Q170 PolarHBondContact O-N 3.28Å
169F98.6Very high98.4Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-61.9124.9179.8-167.4-82.9000110.8F140 L159 I162 Q163 I166 P167 G171 F194F140-F169 AromaticContact CD1-CD2 3.82Å; F140-F169 HydrophobicContact CD1-CD2 3.82Å; F140-F169 HydrophobicContact CD1-CE2 4.34Å; F140-F169 HydrophobicContact CE1-CD2 4.28Å; L159-F169 HydrophobicContact CD1-CE1 4.25Å; L159-F169 HydrophobicContact CD1-CE2 4.47Å; L159-F169 HydrophobicContact CD1-CZ 3.65Å; L159-F169 HydrophobicContact CG-CE1 4.05Å; L159-F169 HydrophobicContact CG-CZ 3.97Å; I162-F169 HydrophobicContact CG1-CB 4.48Å; I162-F169 HydrophobicContact CG1-CD2 3.71Å; I162-F169 HydrophobicContact CG1-CE2 4.06Å; I162-F169 HydrophobicContact CG1-CG 4.02Å; I162-F169 HydrophobicContact CG2-CB 4.25Å; I162-F169 HydrophobicContact CG2-CD1 3.6Å; I162-F169 HydrophobicContact CG2-CD2 4.22Å; I162-F169 HydrophobicContact CG2-CE1 3.96Å; I162-F169 HydrophobicContact CG2-CG 3.76Å; I162-F169 HydrophobicContact CG2-CZ 4.41Å; Q163-F169 HydrophobicContact CG-CB 4.31Å; Q163-F169 PolarHBondContact NE2-O 3.06Å; I166-F169 HydrophobicContact CB-CB 4.15Å; I166-F169 HydrophobicContact CG2-CB 4.04Å; I166-F169 WeakPolarHBondContact O-CB 3.37Å; I166-F169 PolarHBondContact O-N 2.92Å; P167-F169 VanDerWaalsContact C-N 3.32Å; F169-G171 WeakPolarHBondContact CZ-O 3.44Å; F169-F194 HydrophobicContact CD1-CD1 4.06Å; F169-F194 AromaticContact CD1-CE1 3.6Å; F169-F194 HydrophobicContact CD1-CE1 3.6Å; F169-F194 HydrophobicContact CD1-CE2 4.16Å; F169-F194 AromaticContact CD1-CZ 3.67Å; F169-F194 HydrophobicContact CD1-CZ 3.67Å; F169-F194 HydrophobicContact CE1-CD1 4.37Å; F169-F194 HydrophobicContact CE1-CD2 4.29Å; F169-F194 HydrophobicContact CE1-CE1 4.23Å; F169-F194 HydrophobicContact CE1-CE2 4.16Å; F169-F194 HydrophobicContact CE1-CG 4.4Å; F169-F194 HydrophobicContact CE1-CZ 4.14Å; F169-F194 WeakPolarHBondContact O-CE1 3.34Å
170Q98.4Very high98.5Very high51 Ų5148.6 Ų48.624%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-130.2-6.5-174.3-73.8-72.22.100113.4P139 F140 Y141 T168 F194 A195P139-Q170 HydrophobicContact CB-CB 4.02Å; P139-Q170 HydrophobicContact CB-CG 3.85Å; P139-Q170 HydrophobicContact CG-CG 4.46Å; F140-Q170 PolarHBondContact O-N 2.94Å; Y141-Q170 HydrophobicContact CE1-CB 3.99Å; T168-Q170 WeakPolarHBondContact O-CG 3.35Å; T168-Q170 PolarHBondContact O-N 3.28Å; Q170-F194 WeakPolarHBondContact O-CA 3.44Å; Q170-A195 PolarHBondContact O-N 3.13Å
171G98.4Very high98.5Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans163.8-165.417100000116.7Y141 Y142 F169 A195Y141-G171 VanDerWaalsContact CA-O 3.29Å; Y141-G171 WeakPolarHBondContact CA-O 3.36Å; Y142-G171 PolarHBondContact N-O 2.92Å; F169-G171 WeakPolarHBondContact CZ-O 3.44Å; G171-A195 CarbonylContact C-O 3.47Å; G171-A195 WeakPolarHBondContact CA-O 3.21Å
172L98.9Very high98.6Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-135.4129.8-167.2173.967.1000109.4Y142 H144 A155 L159 F174 C185 A195 L197Y142-L172 HydrophobicContact CD1-CD1 3.65Å; Y142-L172 HydrophobicContact CE1-CD1 4.42Å; Y142-L172 HydrophobicContact CG-CD1 4.43Å; H144-L172 HydrophobicContact CB-CD1 3.86Å; A155-L172 HydrophobicContact CB-CD1 4.19Å; A155-L172 HydrophobicContact CB-CD2 4.03Å; L159-L172 HydrophobicContact CD2-CD2 4.34Å; L172-F174 HydrophobicContact CD2-CB 3.97Å; L172-F174 HydrophobicContact CD2-CD2 3.94Å; L172-F174 HydrophobicContact CD2-CG 4.37Å; L172-F174 HydrophobicContact CG-CB 3.98Å; L172-C185 HydrophobicContact CD2-CB 4.07Å; L172-A195 PolarHBondContact N-O 3.26Å; L172-L197 WeakPolarHBondContact O-CA 3.47Å; L172-L197 WeakPolarHBondContact O-CB 3.4Å; L172-L197 PolarHBondContact O-N 3.12Å
173K98.9Very high98.6Very high9 Ų942.1 Ų42.14%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-96.2110.7156.2174.3-178.9177.7-167.90107.9F47 Y142 Y143 H144 L197 V216F47-K173 HydrophobicContact CE1-CD 4.29Å; F47-K173 HydrophobicContact CE2-CD 4.13Å; F47-K173 HydrophobicContact CZ-CD 4Å; Y142-K173 PolarHBondContact O-N 2.98Å; Y143-K173 HydrophobicContact CD2-CB 4.17Å; Y143-K173 HydrophobicContact CD2-CD 3.46Å; Y143-K173 VanDerWaalsContact CD2-CD 3.46Å; Y143-K173 HydrophobicContact CD2-CG 3.76Å; Y143-K173 HydrophobicContact CE2-CD 3.54Å; Y143-K173 HydrophobicContact CE2-CG 4.05Å; Y143-K173 HydrophobicContact CG-CD 4.07Å; Y143-K173 VanDerWaalsContact CZ-NZ 3.26Å; Y143-K173 PolarHBondContact OH-NZ 2.83Å; H144-K173 PolarHBondContact N-O 3.44Å; K173-L197 CarbonylContact C-O 3.51Å; K173-L197 WeakPolarHBondContact CA-O 3.27Å; K173-V216 HydrophobicContact CD-CB 3.78Å; K173-V216 HydrophobicContact CD-CG1 3.64Å; K173-V216 HydrophobicContact CD-CG2 4.3Å; K173-V216 HydrophobicContact CG-CB 3.97Å; K173-V216 HydrophobicContact CG-CG1 4.39Å; K173-V216 HydrophobicContact CG-CG2 4.28Å
174F98.9Very high98.6Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-106.497.3-176.4-168.9-92.5000111.1H144 A155 L172 D176 D178 D181 F182 L197 F198 G199H144-F174 HydrophobicContact CB-CD2 4.28Å; H144-F174 AromaticContact CD2-CD2 3.42Å; H144-F174 VanDerWaalsContact CD2-CD2 3.42Å; H144-F174 WeakPolarHBondContact CD2-CD2 3.46Å; H144-F174 AromaticContact CD2-CE2 3.35Å; H144-F174 WeakPolarHBondContact CD2-CE2 3.14Å; H144-F174 AromaticContact NE2-CE2 3.68Å; A155-F174 HydrophobicContact CB-CD2 3.77Å; A155-F174 HydrophobicContact CB-CE2 3.7Å; L172-F174 HydrophobicContact CD2-CB 3.97Å; L172-F174 HydrophobicContact CD2-CD2 3.94Å; L172-F174 HydrophobicContact CD2-CG 4.37Å; L172-F174 HydrophobicContact CG-CB 3.98Å; F174-D176 HydrophobicContact CD1-CB 4.24Å; F174-D176 WeakPolarHBondContact CD1-O 3.39Å; F174-D176 HydrophobicContact CE1-CB 3.62Å; F174-D176 VanDerWaalsContact CE1-O 3.25Å; F174-D176 WeakPolarHBondContact CE1-O 3.48Å; F174-D176 HydrophobicContact CE2-CB 4.44Å; F174-D176 HydrophobicContact CZ-CB 3.74Å; F174-D178 WeakPolarHBondContact CE1-O 3.31Å; F174-D178 WeakPolarHBondContact CZ-O 3.37Å; F174-D181 HydrophobicContact CE2-CB 4.26Å; F174-D181 HydrophobicContact CZ-CB 4.04Å; F174-F182 HydrophobicContact CB-CD2 3.67Å; F174-F182 HydrophobicContact CB-CE2 4Å; F174-F182 HydrophobicContact CD1-CB 3.91Å; F174-F182 AromaticContact CD1-CD2 3.73Å; F174-F182 HydrophobicContact CD1-CD2 3.73Å; F174-F182 HydrophobicContact CD1-CG 4.15Å; F174-F182 HydrophobicContact CD2-CD2 4.3Å; F174-F182 HydrophobicContact CE1-CB 3.73Å; F174-F182 HydrophobicContact CE1-CD2 4.42Å; F174-F182 HydrophobicContact CE1-CG 4.46Å; F174-F182 HydrophobicContact CG-CB 4.37Å; F174-F182 AromaticContact CG-CD2 3.64Å; F174-F182 HydrophobicContact CG-CD2 3.64Å; F174-F182 HydrophobicContact CG-CE2 4.46Å; F174-F182 HydrophobicContact CG-CG 4.44Å; F174-F182 HydrophobicContact CZ-CB 4.07Å; F174-L197 PolarHBondContact N-O 3.3Å; F174-F198 AromaticContact CD1-CD2 3.99Å; F174-F198 HydrophobicContact CD1-CD2 3.99Å; F174-F198 AromaticContact CD1-CE2 3.74Å; F174-F198 HydrophobicContact CD1-CE2 3.74Å; F174-F198 HydrophobicContact CE1-CE2 4.24Å; F174-G199 WeakPolarHBondContact O-CA 3.36Å; F174-G199 PolarHBondContact O-N 3.37Å
175S98.8Very high98.7Very high15 Ų1534.8 Ų34.811%0.10519%0.188CC..  trans-101.365.1175.3-70.20000110.4H144 G199H144-S175 PolarHBondContact O-N 2.92Å; S175-G199 WeakPolarHBondContact OG-CA 3.15Å; S175-G199 PolarHBondContact OG-O 3.19Å; S175-G199 VanDerWaalsContact OG-O 3.05Å
176D98.8Very high98.7Very high42 Ų4230 Ų3023%0.22517%0.169CC..SBendtrans-146.5163.7171.4-169.113000109.7P146 F174 F198P146-D176 HydrophobicContact CG-CB 3.9Å; P146-D176 WeakPolarHBondContact CG-OD2 3.33Å; F174-D176 HydrophobicContact CD1-CB 4.24Å; F174-D176 WeakPolarHBondContact CD1-O 3.39Å; F174-D176 HydrophobicContact CE1-CB 3.62Å; F174-D176 VanDerWaalsContact CE1-O 3.25Å; F174-D176 WeakPolarHBondContact CE1-O 3.48Å; F174-D176 HydrophobicContact CE2-CB 4.44Å; F174-D176 HydrophobicContact CZ-CB 3.74Å; D176-F198 WeakPolarHBondContact O-CE2 3.47Å; D176-F198 WeakPolarHBondContact O-CZ 3.32Å
177T98.8Very high98.7Very high79 Ų7933 Ų3349%0.48519%0.185SC..SBendtrans-101-4.8-177.6610000113.5L179 V200T177-L179 PolarHBondContact O-N 3.36Å; T177-V200 HydrophobicContact CG2-CG1 4.23Å; T177-V200 HydrophobicContact CG2-CG2 4.28Å
178D98.8Very high98.7Very high62 Ų6233.5 Ų33.533%0.33218%0.179SC..  trans-68.791.4171-172.4-16.2000110.5F174 L180 D181 F182F174-D178 WeakPolarHBondContact CE1-O 3.31Å; F174-D178 WeakPolarHBondContact CZ-O 3.37Å; D178-L180 VanDerWaalsContact C-N 3.25Å; D178-L180 PolarHBondContact O-N 2.9Å; D178-L180 WeakPolarHBondContact OD1-CA 3.3Å; D178-L180 WeakPolarHBondContact OD1-CB 3.33Å; D178-L180 PolarHBondContact OD1-N 3.49Å; D178-D181 HydrophobicContact CB-CB 4.21Å; D178-D181 PolarHBondContact O-N 2.88Å; D178-D181 PolarHBondContact OD1-N 2.86Å; D178-F182 PolarHBondContact O-N 2.75Å; D178-F182 VanDerWaalsContact O-N 3.12Å
179L98.8Very high98.7Very high42 Ų4233 Ų3322%0.2218%0.175CC..Hα-helixtrans-76.4-10.3178.6-64-178.7000113.4T177 F182 G183 F198 A207 M210T177-L179 PolarHBondContact O-N 3.36Å; L179-F182 HydrophobicContact CD2-CB 4.38Å; L179-F182 HydrophobicContact CD2-CD1 4.46Å; L179-G183 WeakPolarHBondContact O-CA 3.47Å; L179-G183 PolarHBondContact O-N 3.37Å; L179-F198 HydrophobicContact CD2-CE2 3.69Å; L179-F198 HydrophobicContact CD2-CZ 3.89Å; L179-A207 HydrophobicContact CD2-CB 4.41Å; L179-M210 HydrophobicContact CB-CG 4.48Å; L179-M210 HydrophobicContact CD1-CG 4.37Å
180L98.9Very high98.4Very high117 Ų11741.5 Ų41.561%0.61321%0.207SC*.Hα-helixtrans-72.2-47.7168.9174.562.5000109.4D178 G183 Q184D178-L180 VanDerWaalsContact C-N 3.25Å; D178-L180 PolarHBondContact O-N 2.9Å; D178-L180 WeakPolarHBondContact OD1-CA 3.3Å; D178-L180 WeakPolarHBondContact OD1-CB 3.33Å; D178-L180 PolarHBondContact OD1-N 3.49Å; L180-G183 PolarHBondContact O-N 3.14Å; L180-Q184 HydrophobicContact CD1-CG 4.23Å; L180-Q184 WeakPolarHBondContact O-CB 3.44Å; L180-Q184 WeakPolarHBondContact O-CG 3.31Å; L180-Q184 PolarHBondContact O-N 2.66Å
181D98.9Very high98.1Very high2 Ų247.4 Ų47.41%0.01124%0.235CC..Hα-helixtrans-58-52.2172.9-17113.6000111.1R154 A155 E156 F174 D178 G183 Q184 C185R154-D181 WeakPolarHBondContact CA-OD2 3.36Å; R154-D181 IonicContact NH2-OD1 2.69Å; A155-D181 PolarHBondContact N-OD1 2.88Å; A155-D181 VanDerWaalsContact N-OD1 3.16Å; A155-D181 PolarHBondContact N-OD2 2.93Å; E156-D181 WeakPolarHBondContact CB-OD1 3.3Å; E156-D181 WeakPolarHBondContact CG-OD1 3.24Å; E156-D181 PolarHBondContact N-OD1 3.48Å; F174-D181 HydrophobicContact CE2-CB 4.26Å; F174-D181 HydrophobicContact CZ-CB 4.04Å; D178-D181 HydrophobicContact CB-CB 4.21Å; D178-D181 PolarHBondContact O-N 2.88Å; D178-D181 PolarHBondContact OD1-N 2.86Å; D181-G183 PolarHBondContact O-N 3.31Å; D181-Q184 PolarHBondContact O-N 3.46Å; D181-C185 PolarHBondContact O-N 2.9Å; D181-C185 PolarHBondContact O-SG 3.43Å; D181-C185 VanDerWaalsContact O-SG 3.4Å
182F98.9Very high97.6Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-59.8-44177.4-174.7-103.4000113.4F174 D178 L179 Q184 C185 V186 F196 F198 A207 M210 A212F174-F182 HydrophobicContact CB-CD2 3.67Å; F174-F182 HydrophobicContact CB-CE2 4Å; F174-F182 HydrophobicContact CD1-CB 3.91Å; F174-F182 AromaticContact CD1-CD2 3.73Å; F174-F182 HydrophobicContact CD1-CD2 3.73Å; F174-F182 HydrophobicContact CD1-CG 4.15Å; F174-F182 HydrophobicContact CD2-CD2 4.3Å; F174-F182 HydrophobicContact CE1-CB 3.73Å; F174-F182 HydrophobicContact CE1-CD2 4.42Å; F174-F182 HydrophobicContact CE1-CG 4.46Å; F174-F182 HydrophobicContact CG-CB 4.37Å; F174-F182 AromaticContact CG-CD2 3.64Å; F174-F182 HydrophobicContact CG-CD2 3.64Å; F174-F182 HydrophobicContact CG-CE2 4.46Å; F174-F182 HydrophobicContact CG-CG 4.44Å; F174-F182 HydrophobicContact CZ-CB 4.07Å; D178-F182 PolarHBondContact O-N 2.75Å; D178-F182 VanDerWaalsContact O-N 3.12Å; L179-F182 HydrophobicContact CD2-CB 4.38Å; L179-F182 HydrophobicContact CD2-CD1 4.46Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; F182-Q184 PolarHBondContact O-N 3.43Å; F182-C185 VanDerWaalsContact O-CB 3.3Å; F182-C185 WeakPolarHBondContact O-CB 3.19Å; F182-C185 PolarHBondContact O-N 3.41Å; F182-V186 HydrophobicContact CD1-CG2 4.44Å; F182-V186 HydrophobicContact CE1-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 4.18Å; F182-V186 PolarHBondContact O-N 2.98Å; F182-F196 HydrophobicContact CE2-CB 4.04Å; F182-F196 HydrophobicContact CZ-CB 3.89Å; F182-F198 HydrophobicContact CD1-CD2 4.36Å; F182-F198 HydrophobicContact CD2-CD2 4.05Å; F182-F198 HydrophobicContact CE1-CD2 4.38Å; F182-F198 HydrophobicContact CE2-CD2 4.05Å; F182-F198 HydrophobicContact CG-CD2 4.19Å; F182-F198 HydrophobicContact CG-CE2 4.46Å; F182-F198 HydrophobicContact CZ-CB 4.36Å; F182-F198 HydrophobicContact CZ-CD2 4.22Å; F182-A207 HydrophobicContact CE1-CB 4.18Å; F182-M210 HydrophobicContact CD1-CB 4.17Å; F182-M210 HydrophobicContact CE1-CB 4.39Å; F182-A212 HydrophobicContact CE1-CB 3.83Å; F182-A212 HydrophobicContact CZ-CB 3.61Å
183G98.8Very high97.2Very high10 Ų1057.3 Ų57.310%0.10328%0.281CS..Hα-helixtrans-62.3-39.4178.800000112.5L179 L180 D181 V186 D187L179-G183 WeakPolarHBondContact O-CA 3.47Å; L179-G183 PolarHBondContact O-N 3.37Å; L180-G183 PolarHBondContact O-N 3.14Å; D181-G183 PolarHBondContact O-N 3.31Å; G183-V186 PolarHBondContact O-N 2.74Å; G183-D187 WeakPolarHBondContact O-CB 3.47Å; G183-D187 PolarHBondContact O-N 3.25Å
184Q98.9Very high97.1Very high58 Ų5857 Ų5727%0.27128%0.28SS..Hα-helixtrans-69.7-35.3175-69.9-56-60.500112.3E156 L180 D181 F182 V186 D187 Q188E156-Q184 HydrophobicContact CB-CB 3.86Å; E156-Q184 HydrophobicContact CG-CB 3.97Å; L180-Q184 HydrophobicContact CD1-CG 4.23Å; L180-Q184 WeakPolarHBondContact O-CB 3.44Å; L180-Q184 WeakPolarHBondContact O-CG 3.31Å; L180-Q184 PolarHBondContact O-N 2.66Å; D181-Q184 PolarHBondContact O-N 3.46Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; F182-Q184 PolarHBondContact O-N 3.43Å; Q184-V186 VanDerWaalsContact C-N 3.27Å; Q184-V186 PolarHBondContact O-N 3.2Å; Q184-D187 PolarHBondContact O-N 3.25Å; Q184-Q188 WeakPolarHBondContact O-CB 3.45Å; Q184-Q188 VanDerWaalsContact O-CG 3.3Å; Q184-Q188 WeakPolarHBondContact O-CG 3.47Å; Q184-Q188 PolarHBondContact O-N 2.84Å
185C98.9Very high97.1Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-53.1-47.7169.4-70.80000111.3A155 E156 L159 L172 D181 F182 N189 F196A155-C185 VanDerWaalsContact C-SG 3.57Å; A155-C185 VanDerWaalsContact CB-SG 3.59Å; E156-C185 WeakPolarHBondContact CA-SG 3.12Å; E156-C185 PolarHBondContact N-SG 3.43Å; L159-C185 HydrophobicContact CD2-CB 4.04Å; L172-C185 HydrophobicContact CD2-CB 4.07Å; D181-C185 PolarHBondContact O-N 2.9Å; D181-C185 PolarHBondContact O-SG 3.43Å; D181-C185 VanDerWaalsContact O-SG 3.4Å; F182-C185 VanDerWaalsContact O-CB 3.3Å; F182-C185 WeakPolarHBondContact O-CB 3.19Å; F182-C185 PolarHBondContact O-N 3.41Å; C185-N189 WeakPolarHBondContact O-CB 3.33Å; C185-N189 PolarHBondContact O-ND2 2.78Å; C185-F196 HydrophobicContact CB-CD1 4.14Å; C185-F196 HydrophobicContact CB-CE1 4Å; C185-F196 VanDerWaalsContact O-CE1 3.27Å; C185-F196 WeakPolarHBondContact O-CE1 3.47Å; C185-F196 VanDerWaalsContact O-CZ 3.28Å; C185-F196 WeakPolarHBondContact O-CZ 3.4Å
186V98.7Very high97.1Very high19 Ų1956.8 Ų56.812%0.11528%0.277CS..Hα-helixtrans-67.1-49-179.5176.70000111.4F182 G183 Q184 F196F182-V186 HydrophobicContact CD1-CG2 4.44Å; F182-V186 HydrophobicContact CE1-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 4.18Å; F182-V186 PolarHBondContact O-N 2.98Å; G183-V186 PolarHBondContact O-N 2.74Å; Q184-V186 VanDerWaalsContact C-N 3.27Å; Q184-V186 PolarHBondContact O-N 3.2Å; V186-F196 HydrophobicContact CB-CD2 4.39Å; V186-F196 HydrophobicContact CG1-CD2 4.46Å; V186-F196 HydrophobicContact CG2-CB 3.96Å; V186-F196 HydrophobicContact CG2-CD1 4.18Å; V186-F196 HydrophobicContact CG2-CD2 3.87Å; V186-F196 HydrophobicContact CG2-CE2 4.45Å; V186-F196 HydrophobicContact CG2-CG 3.73Å
187D98.6Very high97.1Very high65 Ų6555 Ų5535%0.34827%0.267SS..Hα-helixtrans-70-43.2-172.1-16944.7000113.4G183 Q184 N189 R190G183-D187 WeakPolarHBondContact O-CB 3.47Å; G183-D187 PolarHBondContact O-N 3.25Å; Q184-D187 PolarHBondContact O-N 3.25Å; D187-N189 VanDerWaalsContact C-N 3.26Å; D187-N189 PolarHBondContact O-N 2.89Å; D187-R190 WeakPolarHBondContact O-CD 3.03Å; D187-R190 WeakPolarHBondContact O-CG 3.35Å; D187-R190 PolarHBondContact O-NE 2.94Å; D187-R190 IonicContact OD1-CZ 3.79Å; D187-R190 IonicContact OD1-NE 2.67Å; D187-R190 PolarHBondContact OD1-NE 3.36Å; D187-R190 IonicContact OD1-NH2 2.77Å; D187-R190 PolarHBondContact OD1-NH2 3.39Å
188Q98.3Very high97.1Very high115 Ų11551.2 Ų51.254%0.53724%0.244SC..Hα-helixtrans-76.4-12.3-176-58.6-58.2-27.500113.3Q184Q184-Q188 WeakPolarHBondContact O-CB 3.45Å; Q184-Q188 VanDerWaalsContact O-CG 3.3Å; Q184-Q188 WeakPolarHBondContact O-CG 3.47Å; Q184-Q188 PolarHBondContact O-N 2.84Å
189N97.8Very high97.1Very high7 Ų748.8 Ų48.84%0.03724%0.235CC..THydrogen-bonded Turntrans-123.930.8-173.5-61.8-84.9000113.4C185 D187 Q191 Q192 F194 F196C185-N189 WeakPolarHBondContact O-CB 3.33Å; C185-N189 PolarHBondContact O-ND2 2.78Å; D187-N189 VanDerWaalsContact C-N 3.26Å; D187-N189 PolarHBondContact O-N 2.89Å; N189-Q191 PolarHBondContact O-N 3.4Å; N189-Q192 PolarHBondContact O-N 3.3Å; N189-Q192 PolarHBondContact O-OE1 3.12Å; N189-Q192 VanDerWaalsContact O-OE1 3.05Å; N189-F194 HydrophobicContact CB-CD2 3.77Å; N189-F194 HydrophobicContact CB-CE2 3.96Å; N189-F196 HydrophobicContact CB-CZ 3.87Å
190R92.4Very high97.1Very high178 Ų17847.6 Ų47.667%0.67223%0.229SC*.THydrogen-bonded Turntrans-60.5-25.8-178.3-72.1170.3-176.1-85.50.9114.4D187D187-R190 WeakPolarHBondContact O-CD 3.03Å; D187-R190 WeakPolarHBondContact O-CG 3.35Å; D187-R190 PolarHBondContact O-NE 2.94Å; D187-R190 IonicContact OD1-CZ 3.79Å; D187-R190 IonicContact OD1-NE 2.67Å; D187-R190 PolarHBondContact OD1-NE 3.36Å; D187-R190 IonicContact OD1-NH2 2.77Å; D187-R190 PolarHBondContact OD1-NH2 3.39Å
191Q91.6Very high97.1Very high175 Ų17542.5 Ų42.582%0.81820%0.202SC*.THydrogen-bonded Turntrans-85.1-24.7-173.4-60.61788.100112.7N189 Q193N189-Q191 PolarHBondContact O-N 3.4Å; Q191-Q193 VanDerWaalsContact C-N 3.32Å; Q191-Q193 PolarHBondContact O-N 3.12Å
192Q88.7Confident97.1Very high61 Ų6146 Ų4629%0.28522%0.219SC..THydrogen-bonded Turntrans-86.3-2.4-167.1-65.781-14.700113.4N189 F194N189-Q192 PolarHBondContact O-N 3.3Å; N189-Q192 PolarHBondContact O-OE1 3.12Å; N189-Q192 VanDerWaalsContact O-OE1 3.05Å; Q192-F194 HydrophobicContact CB-CD1 3.92Å; Q192-F194 HydrophobicContact CB-CD2 3.86Å; Q192-F194 HydrophobicContact CB-CE1 3.6Å; Q192-F194 HydrophobicContact CB-CE2 3.53Å; Q192-F194 HydrophobicContact CB-CG 4.03Å; Q192-F194 HydrophobicContact CB-CZ 3.38Å; Q192-F194 HydrophobicContact CG-CE1 4.38Å; Q192-F194 HydrophobicContact CG-CE2 3.91Å; Q192-F194 HydrophobicContact CG-CZ 3.75Å; Q192-F194 PolarHBondContact O-N 3.24Å; Q192-F194 VanDerWaalsContact O-N 3.1Å
193Q89.4Confident97.1Very high147 Ų14748.5 Ų48.569%0.68723%0.23SC*.THydrogen-bonded Turntrans54.924.5179.8-55.9-176.133.800114.8K7 Q191K7-Q193 WeakPolarHBondContact CE-O 3.22Å; K7-Q193 PolarHBondContact NZ-O 3.02Å; Q191-Q193 VanDerWaalsContact C-N 3.32Å; Q191-Q193 PolarHBondContact O-N 3.12Å
194F97.6Very high97.1Very high2 Ų248 Ų481%0.00923%0.225CC..  trans-57.8152.8179.8-63.8-31.6000114.1K7 I162 Q163 F169 Q170 N189 Q192 F196K7-F194 WeakPolarHBondContact CE-O 3.33Å; K7-F194 PolarHBondContact NZ-O 2.78Å; I162-F194 HydrophobicContact CG2-CE2 4.39Å; I162-F194 HydrophobicContact CG2-CZ 4.12Å; Q163-F194 HydrophobicContact CG-CE1 4.05Å; Q163-F194 HydrophobicContact CG-CZ 3.88Å; F169-F194 HydrophobicContact CD1-CD1 4.06Å; F169-F194 AromaticContact CD1-CE1 3.6Å; F169-F194 HydrophobicContact CD1-CE1 3.6Å; F169-F194 HydrophobicContact CD1-CE2 4.16Å; F169-F194 AromaticContact CD1-CZ 3.67Å; F169-F194 HydrophobicContact CD1-CZ 3.67Å; F169-F194 HydrophobicContact CE1-CD1 4.37Å; F169-F194 HydrophobicContact CE1-CD2 4.29Å; F169-F194 HydrophobicContact CE1-CE1 4.23Å; F169-F194 HydrophobicContact CE1-CE2 4.16Å; F169-F194 HydrophobicContact CE1-CG 4.4Å; F169-F194 HydrophobicContact CE1-CZ 4.14Å; F169-F194 WeakPolarHBondContact O-CE1 3.34Å; Q170-F194 WeakPolarHBondContact O-CA 3.44Å; N189-F194 HydrophobicContact CB-CD2 3.77Å; N189-F194 HydrophobicContact CB-CE2 3.96Å; Q192-F194 HydrophobicContact CB-CD1 3.92Å; Q192-F194 HydrophobicContact CB-CD2 3.86Å; Q192-F194 HydrophobicContact CB-CE1 3.6Å; Q192-F194 HydrophobicContact CB-CE2 3.53Å; Q192-F194 HydrophobicContact CB-CG 4.03Å; Q192-F194 HydrophobicContact CB-CZ 3.38Å; Q192-F194 HydrophobicContact CG-CE1 4.38Å; Q192-F194 HydrophobicContact CG-CE2 3.91Å; Q192-F194 HydrophobicContact CG-CZ 3.75Å; Q192-F194 PolarHBondContact O-N 3.24Å; Q192-F194 VanDerWaalsContact O-N 3.1Å; F194-F196 HydrophobicContact CB-CE1 4.12Å; F194-F196 HydrophobicContact CB-CE2 4.05Å; F194-F196 HydrophobicContact CB-CZ 3.72Å; F194-F196 HydrophobicContact CD2-CE1 4.39Å; F194-F196 HydrophobicContact CD2-CZ 4.07Å; F194-F196 HydrophobicContact CG-CZ 4.42Å
195A98.4Very high97.1Very high2 Ų246.4 Ų46.42%0.01722%0.218CC..EExtended strand (participates in β ladder)trans-82.3118.1164.500000109.7L8 Y141 Q170 G171 L172 L197L8-A195 HydrophobicContact CB-CB 4.43Å; L8-A195 VanDerWaalsContact O-CB 3.3Å; L8-A195 WeakPolarHBondContact O-CB 3.49Å; Y141-A195 HydrophobicContact CE1-CB 4.05Å; Q170-A195 PolarHBondContact O-N 3.13Å; G171-A195 CarbonylContact C-O 3.47Å; G171-A195 WeakPolarHBondContact CA-O 3.21Å; L172-A195 PolarHBondContact N-O 3.26Å; A195-L197 HydrophobicContact CB-CD1 4.32Å; A195-L197 HydrophobicContact CB-CD2 4.28Å; A195-L197 HydrophobicContact CB-CG 4.05Å
196F98.8Very high97.1Very high10 Ų1048.3 Ų48.34%0.04423%0.232CC..EExtended strand (participates in β ladder)trans-103.188.7172.5-60.1-70.4000108.2L159 F182 C185 V186 N189 F194 A212 T213L159-F196 HydrophobicContact CD2-CE1 3.92Å; F182-F196 HydrophobicContact CE2-CB 4.04Å; F182-F196 HydrophobicContact CZ-CB 3.89Å; C185-F196 HydrophobicContact CB-CD1 4.14Å; C185-F196 HydrophobicContact CB-CE1 4Å; C185-F196 VanDerWaalsContact O-CE1 3.27Å; C185-F196 WeakPolarHBondContact O-CE1 3.47Å; C185-F196 VanDerWaalsContact O-CZ 3.28Å; C185-F196 WeakPolarHBondContact O-CZ 3.4Å; V186-F196 HydrophobicContact CB-CD2 4.39Å; V186-F196 HydrophobicContact CG1-CD2 4.46Å; V186-F196 HydrophobicContact CG2-CB 3.96Å; V186-F196 HydrophobicContact CG2-CD1 4.18Å; V186-F196 HydrophobicContact CG2-CD2 3.87Å; V186-F196 HydrophobicContact CG2-CE2 4.45Å; V186-F196 HydrophobicContact CG2-CG 3.73Å; N189-F196 HydrophobicContact CB-CZ 3.87Å; F194-F196 HydrophobicContact CB-CE1 4.12Å; F194-F196 HydrophobicContact CB-CE2 4.05Å; F194-F196 HydrophobicContact CB-CZ 3.72Å; F194-F196 HydrophobicContact CD2-CE1 4.39Å; F194-F196 HydrophobicContact CD2-CZ 4.07Å; F194-F196 HydrophobicContact CG-CZ 4.42Å; F196-A212 WeakPolarHBondContact O-CA 3.42Å; F196-T213 HydrophobicContact CD2-CG2 4.37Å; F196-T213 PolarHBondContact N-OG1 3.44Å; F196-T213 PolarHBondContact O-N 2.88Å
197L98.9Very high97.1Very high3 Ų347.4 Ų47.42%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-96.6115.8-173.8-54.6173000109.5L8 V12 L172 K173 F174 A195 G214 V216L8-L197 HydrophobicContact CD2-CD1 3.53Å; L8-L197 HydrophobicContact CG-CD1 3.89Å; V12-L197 HydrophobicContact CG2-CD1 4.3Å; L172-L197 WeakPolarHBondContact O-CA 3.47Å; L172-L197 WeakPolarHBondContact O-CB 3.4Å; L172-L197 PolarHBondContact O-N 3.12Å; K173-L197 CarbonylContact C-O 3.51Å; K173-L197 WeakPolarHBondContact CA-O 3.27Å; F174-L197 PolarHBondContact N-O 3.3Å; A195-L197 HydrophobicContact CB-CD1 4.32Å; A195-L197 HydrophobicContact CB-CD2 4.28Å; A195-L197 HydrophobicContact CB-CG 4.05Å; L197-G214 WeakPolarHBondContact CA-O 3.45Å; L197-V216 HydrophobicContact CB-CG2 3.71Å; L197-V216 HydrophobicContact CD1-CG2 3.6Å; L197-V216 HydrophobicContact CG-CG2 4.22Å
198F98.9Very high97.1Very high0 Ų045 Ų450%021%0.213CC..EExtended strand (participates in β ladder)trans-85.5140.4-178.6-164.1-106.9000111.6F174 D176 L179 F182 V200 Q203 L204 A207 A212 G214 A215 V216F174-F198 AromaticContact CD1-CD2 3.99Å; F174-F198 HydrophobicContact CD1-CD2 3.99Å; F174-F198 AromaticContact CD1-CE2 3.74Å; F174-F198 HydrophobicContact CD1-CE2 3.74Å; F174-F198 HydrophobicContact CE1-CE2 4.24Å; D176-F198 WeakPolarHBondContact O-CE2 3.47Å; D176-F198 WeakPolarHBondContact O-CZ 3.32Å; L179-F198 HydrophobicContact CD2-CE2 3.69Å; L179-F198 HydrophobicContact CD2-CZ 3.89Å; F182-F198 HydrophobicContact CD1-CD2 4.36Å; F182-F198 HydrophobicContact CD2-CD2 4.05Å; F182-F198 HydrophobicContact CE1-CD2 4.38Å; F182-F198 HydrophobicContact CE2-CD2 4.05Å; F182-F198 HydrophobicContact CG-CD2 4.19Å; F182-F198 HydrophobicContact CG-CE2 4.46Å; F182-F198 HydrophobicContact CZ-CB 4.36Å; F182-F198 HydrophobicContact CZ-CD2 4.22Å; F198-V200 HydrophobicContact CD1-CB 4.42Å; F198-V200 HydrophobicContact CE1-CB 3.63Å; F198-V200 HydrophobicContact CE1-CG2 4.16Å; F198-V200 WeakPolarHBondContact CE1-O 3.3Å; F198-V200 HydrophobicContact CZ-CB 3.99Å; F198-V200 HydrophobicContact CZ-CG2 4.06Å; F198-Q203 HydrophobicContact CE1-CG 4.01Å; F198-Q203 HydrophobicContact CZ-CG 4.41Å; F198-L204 HydrophobicContact CB-CD1 4.12Å; F198-L204 HydrophobicContact CD1-CD1 4.29Å; F198-A207 HydrophobicContact CB-CB 3.65Å; F198-A207 HydrophobicContact CD1-CB 3.33Å; F198-A207 HydrophobicContact CD2-CB 3.42Å; F198-A207 VanDerWaalsContact CD2-CB 3.42Å; F198-A207 HydrophobicContact CE1-CB 3.73Å; F198-A207 HydrophobicContact CE2-CB 3.83Å; F198-A207 HydrophobicContact CG-CB 3.16Å; F198-A207 HydrophobicContact CZ-CB 3.98Å; F198-A212 HydrophobicContact CB-CB 4.18Å; F198-G214 PolarHBondContact N-O 2.78Å; F198-A215 CarbonylContact O-C 3.48Å; F198-A215 WeakPolarHBondContact O-CA 3.33Å; F198-A215 WeakPolarHBondContact O-CB 3.43Å; F198-V216 PolarHBondContact O-N 3.16Å
199G98.7Very high97.1Very high12 Ų1244.6 Ų44.612%0.12422%0.219CC..  trans-124.923.2-167.200000115.4F174 S175 V216F174-G199 WeakPolarHBondContact O-CA 3.36Å; F174-G199 PolarHBondContact O-N 3.37Å; S175-G199 WeakPolarHBondContact OG-CA 3.15Å; S175-G199 PolarHBondContact OG-O 3.19Å; S175-G199 VanDerWaalsContact OG-O 3.05Å; G199-V216 VanDerWaalsContact CA-O 3.28Å; G199-V216 WeakPolarHBondContact CA-O 3.44Å
200V98.8Very high97.2Very high17 Ų1748.1 Ų48.110%0.10324%0.236CC..  trans-120.487.8171-168.60000108.9T177 F198 E202 Q203 L204T177-V200 HydrophobicContact CG2-CG1 4.23Å; T177-V200 HydrophobicContact CG2-CG2 4.28Å; F198-V200 HydrophobicContact CD1-CB 4.42Å; F198-V200 HydrophobicContact CE1-CB 3.63Å; F198-V200 HydrophobicContact CE1-CG2 4.16Å; F198-V200 WeakPolarHBondContact CE1-O 3.3Å; F198-V200 HydrophobicContact CZ-CB 3.99Å; F198-V200 HydrophobicContact CZ-CG2 4.06Å; V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 HydrophobicContact CG1-CG 4.03Å; V200-E202 PolarHBondContact O-N 3.24Å; V200-Q203 HydrophobicContact CB-CG 3.99Å; V200-Q203 HydrophobicContact CG1-CG 3.74Å; V200-Q203 PolarHBondContact O-N 2.61Å; V200-Q203 VanDerWaalsContact O-N 3.12Å; V200-L204 PolarHBondContact O-N 3.2Å
201D98.8Very high97.4Very high10 Ų1041.2 Ų41.25%0.05322%0.22CC..G310 helixtrans-54.7-40.5-168.2-54.223.2000112.9Q203 L204 G217 S218 T219 Y220 Q246 I253D201-Q203 PolarHBondContact O-N 2.87Å; D201-Q203 VanDerWaalsContact O-N 3.12Å; D201-L204 PolarHBondContact O-N 3.05Å; D201-G217 WeakPolarHBondContact OD1-CA 3.2Å; D201-G217 WeakPolarHBondContact OD2-CA 3.32Å; D201-S218 PolarHBondContact OD2-N 3.43Å; D201-S218 VanDerWaalsContact OD2-N 3.09Å; D201-T219 HydrophobicContact CB-CG2 3.89Å; D201-T219 WeakPolarHBondContact CB-OG1 3.46Å; D201-T219 VanDerWaalsContact OD2-CB 3.27Å; D201-T219 WeakPolarHBondContact OD2-CB 3.27Å; D201-T219 VanDerWaalsContact OD2-CG2 3.3Å; D201-T219 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T219 PolarHBondContact OD2-N 2.81Å; D201-T219 PolarHBondContact OD2-OG1 2.7Å; D201-Y220 HydrophobicContact CB-CE1 4.31Å; D201-Q246 PolarHBondContact O-NE2 3.27Å; D201-I253 HydrophobicContact CB-CD1 4.43Å
202E98.7Very high97.8Very high76 Ų7633.6 Ų33.636%0.35519%0.187SC..G310 helixtrans-66.8-10.3-178.261.5-93.5-134.700114.6V200 Q246 Q250 I253V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 HydrophobicContact CG1-CG 4.03Å; V200-E202 PolarHBondContact O-N 3.24Å; E202-Q246 PolarHBondContact O-NE2 2.66Å; E202-Q250 WeakPolarHBondContact O-CG 3.43Å; E202-Q250 PolarHBondContact O-NE2 3.29Å; E202-I253 HydrophobicContact CB-CB 4.22Å; E202-I253 HydrophobicContact CB-CD1 3.75Å; E202-I253 HydrophobicContact CB-CG2 3.91Å
203Q98.6Very high98.2Very high51 Ų5132.8 Ų32.824%0.23819%0.186CC..G310 helixtrans-135.227.1175.460169.764.600112.5F198 V200 D201 L205 S206F198-Q203 HydrophobicContact CE1-CG 4.01Å; F198-Q203 HydrophobicContact CZ-CG 4.41Å; V200-Q203 HydrophobicContact CB-CG 3.99Å; V200-Q203 HydrophobicContact CG1-CG 3.74Å; V200-Q203 PolarHBondContact O-N 2.61Å; V200-Q203 VanDerWaalsContact O-N 3.12Å; D201-Q203 PolarHBondContact O-N 2.87Å; D201-Q203 VanDerWaalsContact O-N 3.12Å; Q203-L205 VanDerWaalsContact C-N 3.3Å; Q203-L205 PolarHBondContact O-N 3.23Å; Q203-S206 PolarHBondContact O-N 3.46Å; Q203-S206 VanDerWaalsContact O-N 3.07Å; Q203-S206 PolarHBondContact O-OG 3.09Å
204L98.9Very high98.7Very high1 Ų126 Ų261%0.00516%0.155CC..Hα-helixtrans-53.6-42.8-177.8174.957.5000113.3L11 F198 V200 D201 S206 A207 L208 A215 T227 M230 L231L11-L204 HydrophobicContact CD2-CD2 4.45Å; F198-L204 HydrophobicContact CB-CD1 4.12Å; F198-L204 HydrophobicContact CD1-CD1 4.29Å; V200-L204 PolarHBondContact O-N 3.2Å; D201-L204 PolarHBondContact O-N 3.05Å; L204-S206 PolarHBondContact O-N 3.32Å; L204-A207 WeakPolarHBondContact O-CA 3.43Å; L204-A207 WeakPolarHBondContact O-CB 3.47Å; L204-A207 PolarHBondContact O-N 2.87Å; L204-L208 HydrophobicContact CD1-CD2 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.21Å; L204-L208 HydrophobicContact CG-CD1 4.3Å; L204-L208 HydrophobicContact CG-CD2 4.5Å; L204-L208 HydrophobicContact CG-CG 4.17Å; L204-L208 WeakPolarHBondContact O-CG 3.27Å; L204-L208 PolarHBondContact O-N 3.45Å; L204-A215 HydrophobicContact CD1-CB 3.56Å; L204-A215 HydrophobicContact CD2-CB 3.68Å; L204-A215 HydrophobicContact CG-CB 4.28Å; L204-T227 HydrophobicContact CD2-CG2 3.82Å; L204-M230 HydrophobicContact CB-CE 4Å; L204-M230 HydrophobicContact CD2-CE 3.71Å; L204-M230 HydrophobicContact CG-CE 3.91Å; L204-L231 HydrophobicContact CD2-CD2 4.3Å
205L98.9Very high98.7Very high23 Ų2325.9 Ų25.912%0.1216%0.155CC..Hα-helixtrans-57.2-33.5-180-176.862.1000113.2Q203 A207 L208 V209 M230 F234 A242 L243 Q246Q203-L205 VanDerWaalsContact C-N 3.3Å; Q203-L205 PolarHBondContact O-N 3.23Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.5Å; L205-L208 HydrophobicContact CD1-CD1 4.12Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-V209 PolarHBondContact O-N 2.79Å; L205-M230 HydrophobicContact CB-SD 4.26Å; L205-F234 HydrophobicContact CD1-CD2 3.53Å; L205-F234 HydrophobicContact CD1-CE2 4.09Å; L205-F234 HydrophobicContact CD1-CG 4.38Å; L205-A242 HydrophobicContact CD1-CB 3.98Å; L205-A242 HydrophobicContact CD2-CB 4.36Å; L205-L243 VanDerWaalsContact CD2-CA 3.44Å; L205-L243 HydrophobicContact CD2-CB 3.93Å; L205-L243 HydrophobicContact CD2-CD1 3.94Å; L205-Q246 HydrophobicContact CB-CB 4.05Å; L205-Q246 HydrophobicContact CB-CG 3.9Å; L205-Q246 VanDerWaalsContact CB-OE1 3.27Å; L205-Q246 HydrophobicContact CD2-CB 3.97Å; L205-Q246 HydrophobicContact CD2-CG 4.49Å
206S98.9Very high98.8Very high41 Ų4125.9 Ų25.929%0.28716%0.155SC..Hα-helixtrans-69.1-30175.570.60000112Q203 L204 V209 M210Q203-S206 PolarHBondContact O-N 3.46Å; Q203-S206 VanDerWaalsContact O-N 3.07Å; Q203-S206 PolarHBondContact O-OG 3.09Å; L204-S206 PolarHBondContact O-N 3.32Å; S206-V209 WeakPolarHBondContact O-CG1 3.45Å; S206-M210 VanDerWaalsContact O-CG 3.26Å; S206-M210 WeakPolarHBondContact O-CG 3.3Å
207A98.9Very high98.8Very high0 Ų025.6 Ų25.60%016%0.155CC..Hα-helixtrans-79.4-31.217400000112.7L179 F182 F198 L204 L205 V209 M210 G211 A212L179-A207 HydrophobicContact CD2-CB 4.41Å; F182-A207 HydrophobicContact CE1-CB 4.18Å; F198-A207 HydrophobicContact CB-CB 3.65Å; F198-A207 HydrophobicContact CD1-CB 3.33Å; F198-A207 HydrophobicContact CD2-CB 3.42Å; F198-A207 VanDerWaalsContact CD2-CB 3.42Å; F198-A207 HydrophobicContact CE1-CB 3.73Å; F198-A207 HydrophobicContact CE2-CB 3.83Å; F198-A207 HydrophobicContact CG-CB 3.16Å; F198-A207 HydrophobicContact CZ-CB 3.98Å; L204-A207 WeakPolarHBondContact O-CA 3.43Å; L204-A207 WeakPolarHBondContact O-CB 3.47Å; L204-A207 PolarHBondContact O-N 2.87Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.5Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 2.81Å; A207-M210 CarbonylContact O-C 3.48Å; A207-M210 WeakPolarHBondContact O-CA 3.39Å; A207-M210 WeakPolarHBondContact O-CB 3.42Å; A207-M210 PolarHBondContact O-N 3.08Å; A207-G211 PolarHBondContact O-N 3.42Å; A207-A212 HydrophobicContact CB-CB 4.08Å; A207-A212 VanDerWaalsContact O-CB 3.3Å; A207-A212 WeakPolarHBondContact O-CB 3.37Å; A207-A212 PolarHBondContact O-N 2.73Å
208L98.8Very high98.8Very high14 Ų1426.5 Ų26.57%0.07316%0.161CC..Hα-helixtrans-59.3-45174.2-65.4175.6000111.2L204 L205 M210 G211 A212 M230 L231 F234L204-L208 HydrophobicContact CD1-CD2 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.21Å; L204-L208 HydrophobicContact CG-CD1 4.3Å; L204-L208 HydrophobicContact CG-CD2 4.5Å; L204-L208 HydrophobicContact CG-CG 4.17Å; L204-L208 WeakPolarHBondContact O-CG 3.27Å; L204-L208 PolarHBondContact O-N 3.45Å; L205-L208 HydrophobicContact CD1-CD1 4.12Å; L205-L208 PolarHBondContact O-N 2.89Å; L208-M210 PolarHBondContact O-N 3.39Å; L208-G211 PolarHBondContact O-N 2.97Å; L208-A212 HydrophobicContact CD2-CB 4.4Å; L208-M230 HydrophobicContact CD1-CE 4.4Å; L208-L231 HydrophobicContact CD1-CD2 3.58Å; L208-L231 HydrophobicContact CD2-CD2 3.8Å; L208-L231 HydrophobicContact CG-CD2 4.33Å; L208-F234 HydrophobicContact CB-CD1 4.16Å; L208-F234 HydrophobicContact CB-CD2 4.2Å; L208-F234 HydrophobicContact CB-CE1 3.87Å; L208-F234 HydrophobicContact CB-CE2 3.9Å; L208-F234 HydrophobicContact CB-CG 4.32Å; L208-F234 HydrophobicContact CB-CZ 3.73Å; L208-F234 HydrophobicContact CD1-CB 4.35Å; L208-F234 HydrophobicContact CD1-CD1 4.38Å; L208-F234 HydrophobicContact CD1-CD2 4.44Å; L208-F234 HydrophobicContact CD1-CG 4.14Å; L208-F234 WeakPolarHBondContact O-CZ 3.4Å
209V98.7Very high98.8Very high107 Ų10726.7 Ų26.765%0.64816%0.162SC*.Hα-helixtrans-65.4-25.1175.365.30000112.9L205 S206 A207 G211 F234L205-V209 PolarHBondContact O-N 2.79Å; S206-V209 WeakPolarHBondContact O-CG1 3.45Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 2.81Å; V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 3.37Å; V209-F234 HydrophobicContact CB-CE2 4.48Å
210M98.8Very high98.8Very high80 Ų8026.1 Ų26.139%0.39416%0.157SC..THydrogen-bonded Turntrans-82.40.1173.3-61.5-58.5-65.800113.6L179 F182 S206 A207 L208L179-M210 HydrophobicContact CB-CG 4.48Å; L179-M210 HydrophobicContact CD1-CG 4.37Å; F182-M210 HydrophobicContact CD1-CB 4.17Å; F182-M210 HydrophobicContact CE1-CB 4.39Å; S206-M210 VanDerWaalsContact O-CG 3.26Å; S206-M210 WeakPolarHBondContact O-CG 3.3Å; A207-M210 CarbonylContact O-C 3.48Å; A207-M210 WeakPolarHBondContact O-CA 3.39Å; A207-M210 WeakPolarHBondContact O-CB 3.42Å; A207-M210 PolarHBondContact O-N 3.08Å; L208-M210 PolarHBondContact O-N 3.39Å
211G98.4Very high98.8Very high34 Ų3425.3 Ų25.335%0.35115%0.152SC..THydrogen-bonded Turntrans9720175.300000115.5A207 L208 V209 T213A207-G211 PolarHBondContact O-N 3.42Å; L208-G211 PolarHBondContact O-N 2.97Å; V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 3.37Å; G211-T213 PolarHBondContact O-N 3.32Å
212A98.7Very high98.8Very high14 Ų1425.1 Ų25.112%0.11615%0.15CC..  trans-56.6133.6170.700000111.3F182 F196 F198 A207 L208F182-A212 HydrophobicContact CE1-CB 3.83Å; F182-A212 HydrophobicContact CZ-CB 3.61Å; F196-A212 WeakPolarHBondContact O-CA 3.42Å; F198-A212 HydrophobicContact CB-CB 4.18Å; A207-A212 HydrophobicContact CB-CB 4.08Å; A207-A212 VanDerWaalsContact O-CB 3.3Å; A207-A212 WeakPolarHBondContact O-CB 3.37Å; A207-A212 PolarHBondContact O-N 2.73Å; L208-A212 HydrophobicContact CD2-CB 4.4Å
213T98.4Very high98.8Very high45 Ų4521.7 Ų21.728%0.27613%0.134SC..  trans-92.5-2.2-179.764.30000112.8Q9 G10 F196 G211Q9-T213 WeakPolarHBondContact CB-O 3.2Å; G10-T213 PolarHBondContact N-O 3.23Å; G10-T213 VanDerWaalsContact N-O 3.13Å; F196-T213 HydrophobicContact CD2-CG2 4.37Å; F196-T213 PolarHBondContact N-OG1 3.44Å; F196-T213 PolarHBondContact O-N 2.88Å; G211-T213 PolarHBondContact O-N 3.32Å
214G98.6Very high98.8Very high3 Ų319.2 Ų19.23%0.03112%0.123CC..EExtended strand (participates in β ladder)trans171.2-170.5-17800000111.1G10 L197 F198G10-G214 CarbonylContact O-C 3.58Å; G10-G214 WeakPolarHBondContact O-CA 3.11Å; L197-G214 WeakPolarHBondContact CA-O 3.45Å; F198-G214 PolarHBondContact N-O 2.78Å
215A98.9Very high98.8Very high1 Ų125.3 Ų25.31%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-145.7142.9-177.400000112G10 L11 V12 F198 L204 Y220G10-A215 PolarHBondContact O-N 2.98Å; L11-A215 HydrophobicContact CD2-CB 4.22Å; V12-A215 WeakPolarHBondContact CB-O 3.41Å; V12-A215 PolarHBondContact N-O 3.06Å; F198-A215 CarbonylContact O-C 3.48Å; F198-A215 WeakPolarHBondContact O-CA 3.33Å; F198-A215 WeakPolarHBondContact O-CB 3.43Å; L204-A215 HydrophobicContact CD1-CB 3.56Å; L204-A215 HydrophobicContact CD2-CB 3.68Å; L204-A215 HydrophobicContact CG-CB 4.28Å; A215-Y220 HydrophobicContact CB-CE2 3.63Å; A215-Y220 VanDerWaalsContact CB-OH 3.25Å; A215-Y220 WeakPolarHBondContact CB-OH 3.19Å
216V98.9Very high98.8Very high2 Ų226.3 Ų26.31%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-121.9112.5173.3-176.50000109.7V12 A14 F47 K173 L197 F198 G199V12-V216 HydrophobicContact CB-CB 4.21Å; V12-V216 HydrophobicContact CB-CG1 4.3Å; V12-V216 HydrophobicContact CB-CG2 3.62Å; V12-V216 HydrophobicContact CG1-CG1 4.29Å; V12-V216 HydrophobicContact CG1-CG2 4.04Å; V12-V216 HydrophobicContact CG2-CG2 3.88Å; V12-V216 VanDerWaalsContact O-CA 3.3Å; V12-V216 WeakPolarHBondContact O-CA 3.48Å; A14-V216 HydrophobicContact CB-CG1 4.37Å; F47-V216 HydrophobicContact CB-CG1 3.62Å; F47-V216 HydrophobicContact CD1-CG1 4.21Å; F47-V216 HydrophobicContact CD2-CG1 4.21Å; F47-V216 HydrophobicContact CG-CG1 3.79Å; K173-V216 HydrophobicContact CD-CB 3.78Å; K173-V216 HydrophobicContact CD-CG1 3.64Å; K173-V216 HydrophobicContact CD-CG2 4.3Å; K173-V216 HydrophobicContact CG-CB 3.97Å; K173-V216 HydrophobicContact CG-CG1 4.39Å; K173-V216 HydrophobicContact CG-CG2 4.28Å; L197-V216 HydrophobicContact CB-CG2 3.71Å; L197-V216 HydrophobicContact CD1-CG2 3.6Å; L197-V216 HydrophobicContact CG-CG2 4.22Å; F198-V216 PolarHBondContact O-N 3.16Å; G199-V216 VanDerWaalsContact CA-O 3.28Å; G199-V216 WeakPolarHBondContact CA-O 3.44Å
217G98.6Very high98.8Very high4 Ų424.5 Ų24.54%0.04114%0.14CC..EExtended strand (participates in β ladder)trans-155158.8-164.400000113.8V12 A14 D201 Y220V12-G217 PolarHBondContact O-N 2.88Å; A14-G217 PolarHBondContact N-O 2.78Å; D201-G217 WeakPolarHBondContact OD1-CA 3.2Å; D201-G217 WeakPolarHBondContact OD2-CA 3.32Å; G217-Y220 VanDerWaalsContact CA-CE2 3.42Å
218S98.9Very high98.8Very high22 Ų2226.8 Ų26.815%0.15415%0.152CC..SBendtrans-81.2-29.3-178.270.30000112.1T52 D201 Y220 N221T52-S218 WeakPolarHBondContact OG1-CB 3.34Å; D201-S218 PolarHBondContact OD2-N 3.43Å; D201-S218 VanDerWaalsContact OD2-N 3.09Å; S218-Y220 VanDerWaalsContact C-N 3.26Å; S218-Y220 PolarHBondContact O-N 2.91Å; S218-N221 PolarHBondContact O-N 3.13Å; S218-N221 PolarHBondContact O-ND2 2.91Å
219T98.9Very high98.8Very high3 Ų329.2 Ų29.22%0.01816%0.163CC..THydrogen-bonded Turntrans-71.4-25.3-175.665.60000111.8D201 N221 Y222 L223 I253D201-T219 HydrophobicContact CB-CG2 3.89Å; D201-T219 WeakPolarHBondContact CB-OG1 3.46Å; D201-T219 VanDerWaalsContact OD2-CB 3.27Å; D201-T219 WeakPolarHBondContact OD2-CB 3.27Å; D201-T219 VanDerWaalsContact OD2-CG2 3.3Å; D201-T219 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T219 PolarHBondContact OD2-N 2.81Å; D201-T219 PolarHBondContact OD2-OG1 2.7Å; T219-N221 PolarHBondContact O-N 3.39Å; T219-N221 VanDerWaalsContact O-N 3.08Å; T219-Y222 PolarHBondContact O-N 2.93Å; T219-L223 WeakPolarHBondContact O-CB 3.48Å; T219-L223 PolarHBondContact O-N 3.18Å; T219-I253 HydrophobicContact CG2-CD1 3.89Å; T219-I253 HydrophobicContact CG2-CG1 4.28Å
220Y98.9Very high98.8Very high1 Ų124.1 Ų24.10%0.00413%0.132CC..Hα-helixtrans-66.2-14.9-178.4-44.9-35.5000113.1L11 V12 D201 A215 G217 S218 Y222 G224 T227L11-Y220 HydrophobicContact CB-CD2 4.44Å; L11-Y220 HydrophobicContact CB-CG 4.5Å; L11-Y220 HydrophobicContact CD1-CD1 4.35Å; L11-Y220 HydrophobicContact CD1-CG 4.38Å; L11-Y220 HydrophobicContact CD2-CD1 4.1Å; L11-Y220 HydrophobicContact CD2-CD2 4.2Å; L11-Y220 HydrophobicContact CD2-CE1 4.1Å; L11-Y220 HydrophobicContact CD2-CE2 4.17Å; L11-Y220 HydrophobicContact CD2-CG 4.19Å; V12-Y220 WeakPolarHBondContact O-CD2 3.42Å; D201-Y220 HydrophobicContact CB-CE1 4.31Å; A215-Y220 HydrophobicContact CB-CE2 3.63Å; A215-Y220 VanDerWaalsContact CB-OH 3.25Å; A215-Y220 WeakPolarHBondContact CB-OH 3.19Å; G217-Y220 VanDerWaalsContact CA-CE2 3.42Å; S218-Y220 VanDerWaalsContact C-N 3.26Å; S218-Y220 PolarHBondContact O-N 2.91Å; Y220-Y222 PolarHBondContact O-N 3.47Å; Y220-G224 WeakPolarHBondContact O-CA 2.73Å; Y220-G224 PolarHBondContact O-N 3.39Å; Y220-T227 HydrophobicContact CD1-CG2 4.08Å; Y220-T227 HydrophobicContact CE1-CG2 3.76Å
221N98.9Very high98.8Very high0 Ų021.8 Ų21.80%012%0.121CC..Hα-helixtrans-62.8-30170.3-64.3-72.7000112.4A14 Y33 Y36 L37 Q41 S218 T219 M270A14-N221 PolarHBondContact O-ND2 3.42Å; Y33-N221 WeakPolarHBondContact OH-CB 3.48Å; Y33-N221 PolarHBondContact OH-OD1 3.22Å; Y36-N221 VanDerWaalsContact CE1-O 3.3Å; Y36-N221 WeakPolarHBondContact CE1-O 3.3Å; L37-N221 HydrophobicContact CD2-CB 4.42Å; Q41-N221 WeakPolarHBondContact CG-O 3.41Å; S218-N221 PolarHBondContact O-N 3.13Å; S218-N221 PolarHBondContact O-ND2 2.91Å; T219-N221 PolarHBondContact O-N 3.39Å; T219-N221 VanDerWaalsContact O-N 3.08Å; N221-M270 HydrophobicContact CB-SD 3.88Å; N221-M270 VanDerWaalsContact O-SD 3.42Å
222Y98.9Very high98.8Very high5 Ų525 Ų252%0.0213%0.127CC..Hα-helixtrans-134.6-10.6-175.651.5-96.5000114.4Q41 T219 Y220 F252 T266 I269 M270Q41-Y222 PolarHBondContact NE2-O 3.03Å; Q41-Y222 PolarHBondContact OE1-O 2.92Å; T219-Y222 PolarHBondContact O-N 2.93Å; Y220-Y222 PolarHBondContact O-N 3.47Å; Y222-F252 AromaticContact CE2-CE1 3.96Å; Y222-F252 HydrophobicContact CE2-CE1 3.96Å; Y222-T266 HydrophobicContact CE1-CG2 3.9Å; Y222-I269 HydrophobicContact CD1-CG2 3.95Å; Y222-I269 HydrophobicContact CD2-CG2 3.57Å; Y222-I269 HydrophobicContact CE1-CB 4.39Å; Y222-I269 HydrophobicContact CE1-CG2 3.92Å; Y222-I269 HydrophobicContact CE2-CG2 3.57Å; Y222-I269 HydrophobicContact CG-CG2 3.8Å; Y222-M270 HydrophobicContact CD1-CB 4.31Å; Y222-M270 HydrophobicContact CD1-SD 4.48Å
223L98.8Very high98.8Very high4 Ų424.4 Ų24.42%0.02112%0.122CC..Hα-helixtrans-116.99.3173.1-63.1-178.6000112.7T219 K225 K226 T227 I249 F252 L300 F305T219-L223 WeakPolarHBondContact O-CB 3.48Å; T219-L223 PolarHBondContact O-N 3.18Å; L223-K225 VanDerWaalsContact C-N 3.28Å; L223-K225 PolarHBondContact O-N 2.91Å; L223-K226 PolarHBondContact O-N 3.16Å; L223-T227 PolarHBondContact O-N 3.48Å; L223-T227 PolarHBondContact O-OG1 3.46Å; L223-T227 VanDerWaalsContact O-OG1 3.07Å; L223-I249 HydrophobicContact CD1-CG2 4.41Å; L223-F252 HydrophobicContact CD1-CD1 3.99Å; L223-L300 HydrophobicContact CD2-CD2 4.34Å; L223-F305 HydrophobicContact CD1-CE2 4.45Å; L223-F305 HydrophobicContact CD2-CB 4.06Å; L223-F305 HydrophobicContact CD2-CD2 3.54Å; L223-F305 HydrophobicContact CD2-CE2 4.09Å; L223-F305 HydrophobicContact CD2-CG 3.85Å
224G98.8Very high98.8Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-54.6-41.7-177.600000113L11 Q41 Y220 K226 T227 N228L11-G224 WeakPolarHBondContact CD1-O 3.1Å; Q41-G224 CarbonylContact O-C 3.58Å; Y220-G224 WeakPolarHBondContact O-CA 2.73Å; Y220-G224 PolarHBondContact O-N 3.39Å; G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 3.4Å; G224-T227 PolarHBondContact O-N 3.22Å; G224-N228 WeakPolarHBondContact O-CB 3.48Å; G224-N228 PolarHBondContact O-N 3.39Å; G224-N228 PolarHBondContact O-ND2 3.1Å
225K98.8Very high98.8Very high129 Ų12932 Ų3256%0.56115%0.153SC*.Hα-helixtrans-60.1-43.8176.5-176.6176.4-179.81770111.9Q41 L223 Q229Q41-K225 WeakPolarHBondContact O-CA 3.27Å; Q41-K225 PolarHBondContact O-N 3.22Å; Q41-K225 VanDerWaalsContact OE1-N 3.17Å; L223-K225 VanDerWaalsContact C-N 3.28Å; L223-K225 PolarHBondContact O-N 2.91Å; K225-Q229 WeakPolarHBondContact O-CG 3.15Å; K225-Q229 PolarHBondContact O-N 3.44Å
226K98.7Very high98.8Very high43 Ų4339.8 Ų39.819%0.18718%0.182CC..Hα-helixtrans-69.2-42.2179.7-17072.6-160.91580111.5L223 G224 N228 Q229 M230 I249 F305L223-K226 PolarHBondContact O-N 3.16Å; G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 3.4Å; K226-N228 VanDerWaalsContact C-N 3.34Å; K226-Q229 WeakPolarHBondContact O-CB 3.32Å; K226-Q229 PolarHBondContact O-N 2.91Å; K226-M230 PolarHBondContact O-N 3.08Å; K226-I249 HydrophobicContact CG-CD1 4.32Å; K226-I249 HydrophobicContact CG-CG1 4.14Å; K226-F305 HydrophobicContact CB-CE1 4.44Å; K226-F305 HydrophobicContact CD-CD1 4.14Å; K226-F305 HydrophobicContact CD-CE1 3.53Å; K226-F305 HydrophobicContact CD-CZ 4.35Å; K226-F305 HydrophobicContact CG-CD1 4.27Å; K226-F305 HydrophobicContact CG-CE1 3.57Å; K226-F305 HydrophobicContact CG-CZ 3.96Å
227T98.9Very high98.8Very high3 Ų348.3 Ų48.32%0.01822%0.219CC..Hα-helixtrans-67.3-35.7177.9-50.70000111.3L11 L204 Y220 L223 G224 Q229 M230 L231L11-T227 HydrophobicContact CD1-CG2 4.12Å; L11-T227 HydrophobicContact CD2-CG2 3.73Å; L204-T227 HydrophobicContact CD2-CG2 3.82Å; Y220-T227 HydrophobicContact CD1-CG2 4.08Å; Y220-T227 HydrophobicContact CE1-CG2 3.76Å; L223-T227 PolarHBondContact O-N 3.48Å; L223-T227 PolarHBondContact O-OG1 3.46Å; L223-T227 VanDerWaalsContact O-OG1 3.07Å; G224-T227 PolarHBondContact O-N 3.22Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 3.23Å; T227-M230 HydrophobicContact CG2-CE 3.93Å; T227-M230 WeakPolarHBondContact O-CA 3.41Å; T227-M230 VanDerWaalsContact O-CB 3.3Å; T227-M230 WeakPolarHBondContact O-CB 3.3Å; T227-M230 PolarHBondContact O-N 2.89Å; T227-M230 VanDerWaalsContact O-N 3.08Å; T227-L231 WeakPolarHBondContact O-CG 3.3Å; T227-L231 PolarHBondContact O-N 2.98Å
228N98.9Very high98.8Very high48 Ų4851.5 Ų51.526%0.25724%0.235SC..Hα-helixtrans-61.4-38172.7-84.7-38.2000112.3L11 Q41 G42 G224 K226 M230 L231 E232L11-N228 WeakPolarHBondContact CD1-OD1 3.36Å; Q41-N228 PolarHBondContact O-ND2 2.99Å; Q41-N228 VanDerWaalsContact O-ND2 3.13Å; G42-N228 PolarHBondContact O-ND2 3.4Å; G224-N228 WeakPolarHBondContact O-CB 3.48Å; G224-N228 PolarHBondContact O-N 3.39Å; G224-N228 PolarHBondContact O-ND2 3.1Å; K226-N228 VanDerWaalsContact C-N 3.34Å; N228-M230 VanDerWaalsContact C-N 3.27Å; N228-M230 PolarHBondContact O-N 3.42Å; N228-L231 PolarHBondContact O-N 3.42Å; N228-E232 WeakPolarHBondContact O-CB 3.46Å; N228-E232 PolarHBondContact O-N 3.08Å
229Q98.8Very high98.8Very high65 Ų6555.3 Ų55.330%0.30425%0.254SS..Hα-helixtrans-61.1-37.2172.8-65.5172.7-17.200112K225 K226 T227 A233 Y245K225-Q229 WeakPolarHBondContact O-CG 3.15Å; K225-Q229 PolarHBondContact O-N 3.44Å; K226-Q229 WeakPolarHBondContact O-CB 3.32Å; K226-Q229 PolarHBondContact O-N 2.91Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 3.23Å; Q229-A233 WeakPolarHBondContact O-CB 3.5Å; Q229-A233 PolarHBondContact O-N 2.89Å; Q229-Y245 HydrophobicContact CB-CD2 3.95Å; Q229-Y245 HydrophobicContact CB-CE2 3.59Å
230M98.9Very high98.7Very high1 Ų159.9 Ų59.91%0.00529%0.285CS..Hα-helixtrans-66.2-45.1173.8-176.3-177.775.800112.4L204 L205 L208 K226 T227 N228 E232 A233 F234 A242 Y245 Q246 I249L204-M230 HydrophobicContact CB-CE 4Å; L204-M230 HydrophobicContact CD2-CE 3.71Å; L204-M230 HydrophobicContact CG-CE 3.91Å; L205-M230 HydrophobicContact CB-SD 4.26Å; L208-M230 HydrophobicContact CD1-CE 4.4Å; K226-M230 PolarHBondContact O-N 3.08Å; T227-M230 HydrophobicContact CG2-CE 3.93Å; T227-M230 WeakPolarHBondContact O-CA 3.41Å; T227-M230 VanDerWaalsContact O-CB 3.3Å; T227-M230 WeakPolarHBondContact O-CB 3.3Å; T227-M230 PolarHBondContact O-N 2.89Å; T227-M230 VanDerWaalsContact O-N 3.08Å; N228-M230 VanDerWaalsContact C-N 3.27Å; N228-M230 PolarHBondContact O-N 3.42Å; M230-E232 VanDerWaalsContact C-N 3.33Å; M230-E232 PolarHBondContact O-N 3.36Å; M230-A233 PolarHBondContact O-N 3.35Å; M230-F234 WeakPolarHBondContact O-CB 3.5Å; M230-F234 PolarHBondContact O-N 3.33Å; M230-A242 HydrophobicContact CG-CB 4.34Å; M230-A242 WeakPolarHBondContact CG-O 3.45Å; M230-Y245 HydrophobicContact CB-CD2 4.29Å; M230-Q246 HydrophobicContact SD-CB 3.67Å; M230-Q246 HydrophobicContact SD-CG 4.35Å; M230-Q246 PolarHBondContact SD-OE1 3.13Å; M230-I249 HydrophobicContact SD-CD1 4.41Å
231L98.9Very high98.7Very high31 Ų3162.8 Ų62.816%0.16230%0.301CS..Hα-helixtrans-60.7-43175.7-65.6-175.2000111.6L11 L204 L208 T227 N228 F234 E235L11-L231 HydrophobicContact CD2-CD1 3.63Å; L11-L231 HydrophobicContact CD2-CG 4.47Å; L11-L231 HydrophobicContact CG-CD1 3.71Å; L204-L231 HydrophobicContact CD2-CD2 4.3Å; L208-L231 HydrophobicContact CD1-CD2 3.58Å; L208-L231 HydrophobicContact CD2-CD2 3.8Å; L208-L231 HydrophobicContact CG-CD2 4.33Å; T227-L231 WeakPolarHBondContact O-CG 3.3Å; T227-L231 PolarHBondContact O-N 2.98Å; N228-L231 PolarHBondContact O-N 3.42Å; L231-F234 PolarHBondContact O-N 3.21Å; L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 PolarHBondContact O-N 2.81Å
232E98.8Very high98.7Very high100 Ų10062.8 Ų62.847%0.46730%0.301SS..Hα-helixtrans-68.6-36.2179.8-159.7-170170.800112.5N228 M230 R236N228-E232 WeakPolarHBondContact O-CB 3.46Å; N228-E232 PolarHBondContact O-N 3.08Å; M230-E232 VanDerWaalsContact C-N 3.33Å; M230-E232 PolarHBondContact O-N 3.36Å; E232-R236 VanDerWaalsContact CD-CZ 3.43Å; E232-R236 VanDerWaalsContact CG-NH2 3.27Å; E232-R236 WeakPolarHBondContact O-CB 3.13Å; E232-R236 WeakPolarHBondContact O-CG 3.34Å; E232-R236 PolarHBondContact O-N 3.22Å; E232-R236 VanDerWaalsContact O-N 3.11Å; E232-R236 PolarHBondContact O-NE 3.19Å; E232-R236 IonicContact OE1-CZ 2.78Å; E232-R236 IonicContact OE1-NE 2.7Å; E232-R236 IonicContact OE1-NH1 3Å; E232-R236 PolarHBondContact OE1-NH1 3.3Å; E232-R236 VanDerWaalsContact OE1-NH1 3.1Å; E232-R236 IonicContact OE1-NH2 3.86Å; E232-R236 PolarHBondContact OE1-NH2 3.45Å; E232-R236 IonicContact OE2-NH2 2.81Å; E232-R236 PolarHBondContact OE2-NH2 2.98Å
233A98.8Very high98.7Very high3 Ų366.1 Ų66.13%0.02532%0.318CS..Hα-helixtrans-65.4-43.3172.400000111.4Q229 M230 R236 K237 D238 L241 A242 Y245Q229-A233 WeakPolarHBondContact O-CB 3.5Å; Q229-A233 PolarHBondContact O-N 2.89Å; M230-A233 PolarHBondContact O-N 3.35Å; A233-R236 CarbonylContact O-C 3.23Å; A233-R236 PolarHBondContact O-N 3.4Å; A233-K237 PolarHBondContact O-N 3.13Å; A233-D238 PolarHBondContact O-N 3.22Å; A233-L241 HydrophobicContact CB-CB 4.22Å; A233-L241 HydrophobicContact CB-CD2 4.14Å; A233-L241 HydrophobicContact CB-CG 4.1Å; A233-A242 HydrophobicContact CB-CB 4Å; A233-Y245 HydrophobicContact CB-CE2 4.48Å
234F98.8Very high98.7Very high54 Ų5469.5 Ų69.524%0.23734%0.337CS..Hα-helixtrans-62-46.6176.4-175.5-94.2000111.9L205 L208 V209 M230 L231 R236 K237 L239 A242L205-F234 HydrophobicContact CD1-CD2 3.53Å; L205-F234 HydrophobicContact CD1-CE2 4.09Å; L205-F234 HydrophobicContact CD1-CG 4.38Å; L208-F234 HydrophobicContact CB-CD1 4.16Å; L208-F234 HydrophobicContact CB-CD2 4.2Å; L208-F234 HydrophobicContact CB-CE1 3.87Å; L208-F234 HydrophobicContact CB-CE2 3.9Å; L208-F234 HydrophobicContact CB-CG 4.32Å; L208-F234 HydrophobicContact CB-CZ 3.73Å; L208-F234 HydrophobicContact CD1-CB 4.35Å; L208-F234 HydrophobicContact CD1-CD1 4.38Å; L208-F234 HydrophobicContact CD1-CD2 4.44Å; L208-F234 HydrophobicContact CD1-CG 4.14Å; L208-F234 WeakPolarHBondContact O-CZ 3.4Å; V209-F234 HydrophobicContact CB-CE2 4.48Å; M230-F234 WeakPolarHBondContact O-CB 3.5Å; M230-F234 PolarHBondContact O-N 3.33Å; L231-F234 PolarHBondContact O-N 3.21Å; F234-R236 VanDerWaalsContact C-N 3.3Å; F234-R236 PolarHBondContact O-N 3.33Å; F234-K237 WeakPolarHBondContact O-CA 3.27Å; F234-K237 PolarHBondContact O-N 3.43Å; F234-L239 HydrophobicContact CD2-CD2 3.78Å; F234-L239 HydrophobicContact CE2-CD2 3.96Å; F234-A242 HydrophobicContact CB-CB 4.24Å
235E98.3Very high98.7Very high153 Ų15371.7 Ų71.772%0.71535%0.345SS*.Hα-helixtrans-60.7-39.1178-175.859.4-151.200112L231 K237L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 PolarHBondContact O-N 2.81Å; E235-K237 PolarHBondContact O-N 3.2Å
236R98.3Very high98.7Very high164 Ų16465.8 Ų65.862%0.61932%0.32SS*.THydrogen-bonded Turntrans-78.86174.8-68.4-172.4-80.1-156.71.3113.9E232 A233 F234 D238E232-R236 VanDerWaalsContact CD-CZ 3.43Å; E232-R236 VanDerWaalsContact CG-NH2 3.27Å; E232-R236 WeakPolarHBondContact O-CB 3.13Å; E232-R236 WeakPolarHBondContact O-CG 3.34Å; E232-R236 PolarHBondContact O-N 3.22Å; E232-R236 VanDerWaalsContact O-N 3.11Å; E232-R236 PolarHBondContact O-NE 3.19Å; E232-R236 IonicContact OE1-CZ 2.78Å; E232-R236 IonicContact OE1-NE 2.7Å; E232-R236 IonicContact OE1-NH1 3Å; E232-R236 PolarHBondContact OE1-NH1 3.3Å; E232-R236 VanDerWaalsContact OE1-NH1 3.1Å; E232-R236 IonicContact OE1-NH2 3.86Å; E232-R236 PolarHBondContact OE1-NH2 3.45Å; E232-R236 IonicContact OE2-NH2 2.81Å; E232-R236 PolarHBondContact OE2-NH2 2.98Å; A233-R236 CarbonylContact O-C 3.23Å; A233-R236 PolarHBondContact O-N 3.4Å; F234-R236 VanDerWaalsContact C-N 3.3Å; F234-R236 PolarHBondContact O-N 3.33Å; R236-D238 PolarHBondContact O-N 3.1Å
237K98.6Very high98.8Very high181 Ų18168.2 Ų68.279%0.78733%0.33SS*.THydrogen-bonded Turntrans61.721.4-179.6-53.2-179.3-179.51770114.4A233 F234 E235 L239A233-K237 PolarHBondContact O-N 3.13Å; F234-K237 WeakPolarHBondContact O-CA 3.27Å; F234-K237 PolarHBondContact O-N 3.43Å; E235-K237 PolarHBondContact O-N 3.2Å; K237-L239 VanDerWaalsContact C-N 3.3Å; K237-L239 PolarHBondContact O-N 2.82Å; K237-L239 VanDerWaalsContact O-N 3.13Å
238D98.7Very high98.7Very high72 Ų7269 Ų6939%0.38534%0.336SS..  trans-85.775.6168.9-169.7-15.9000109.7A233 R236 S240 L241 A242A233-D238 PolarHBondContact O-N 3.22Å; R236-D238 PolarHBondContact O-N 3.1Å; D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact O-N 2.89Å; D238-L241 HydrophobicContact CB-CB 4.19Å; D238-L241 PolarHBondContact O-N 2.94Å; D238-L241 VanDerWaalsContact OD1-CB 3.29Å; D238-L241 WeakPolarHBondContact OD1-CB 3.34Å; D238-L241 PolarHBondContact OD1-N 3.27Å; D238-L241 WeakPolarHBondContact OD2-CB 3.47Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 3.12Å
239L98.6Very high98.7Very high102 Ų10266.9 Ų66.953%0.53432%0.324SS..Hα-helixtrans-66.4-30.1-174.8-58.3-177.4000112.5F234 K237 L243F234-L239 HydrophobicContact CD2-CD2 3.78Å; F234-L239 HydrophobicContact CE2-CD2 3.96Å; K237-L239 VanDerWaalsContact C-N 3.3Å; K237-L239 PolarHBondContact O-N 2.82Å; K237-L239 VanDerWaalsContact O-N 3.13Å; L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.28Å; L239-L243 PolarHBondContact O-N 3.44Å
240S98.8Very high98.7Very high98 Ų9866.8 Ų66.869%0.68532%0.324SS*.Hα-helixtrans-68.1-43.8177.1-640000111.4D238 L243 N244D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact O-N 2.89Å; S240-L243 PolarHBondContact O-N 3.49Å; S240-N244 PolarHBondContact O-N 3.05Å
241L98.8Very high98.7Very high62 Ų6273.1 Ų73.133%0.32535%0.348SS..Hα-helixtrans-68.2-42.1175-176.360.3000111.8A233 D238 L243 N244 Y245A233-L241 HydrophobicContact CB-CB 4.22Å; A233-L241 HydrophobicContact CB-CD2 4.14Å; A233-L241 HydrophobicContact CB-CG 4.1Å; D238-L241 HydrophobicContact CB-CB 4.19Å; D238-L241 PolarHBondContact O-N 2.94Å; D238-L241 VanDerWaalsContact OD1-CB 3.29Å; D238-L241 WeakPolarHBondContact OD1-CB 3.34Å; D238-L241 PolarHBondContact OD1-N 3.27Å; D238-L241 WeakPolarHBondContact OD2-CB 3.47Å; L241-L243 VanDerWaalsContact C-N 3.29Å; L241-L243 PolarHBondContact O-N 3.23Å; L241-N244 WeakPolarHBondContact O-CB 3.47Å; L241-N244 PolarHBondContact O-N 3.36Å; L241-N244 VanDerWaalsContact O-N 3.16Å; L241-Y245 HydrophobicContact CD1-CD2 4.44Å; L241-Y245 HydrophobicContact CD1-CE1 3.98Å; L241-Y245 HydrophobicContact CD1-CE2 3.87Å; L241-Y245 HydrophobicContact CD2-CE2 4.04Å; L241-Y245 HydrophobicContact CG-CD2 4.16Å; L241-Y245 HydrophobicContact CG-CE2 3.64Å; L241-Y245 PolarHBondContact O-N 3.44Å
242A98.8Very high98.7Very high0 Ų071.7 Ų71.70%034%0.34CS..Hα-helixtrans-56.9-44.9174.600000111.2L205 M230 A233 F234 D238 Y245 Q246L205-A242 HydrophobicContact CD1-CB 3.98Å; L205-A242 HydrophobicContact CD2-CB 4.36Å; M230-A242 HydrophobicContact CG-CB 4.34Å; M230-A242 WeakPolarHBondContact CG-O 3.45Å; A233-A242 HydrophobicContact CB-CB 4Å; F234-A242 HydrophobicContact CB-CB 4.24Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 3.12Å; A242-Y245 PolarHBondContact O-N 2.61Å; A242-Q246 PolarHBondContact O-N 3.43Å
243L98.9Very high98.7Very high75 Ų7567 Ų6739%0.39332%0.319SS..Hα-helixtrans-64.5-39.2176.4-177.362.1000112.6L205 L239 S240 L241 Y245 Q246 F247L205-L243 VanDerWaalsContact CD2-CA 3.44Å; L205-L243 HydrophobicContact CD2-CB 3.93Å; L205-L243 HydrophobicContact CD2-CD1 3.94Å; L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.28Å; L239-L243 PolarHBondContact O-N 3.44Å; S240-L243 PolarHBondContact O-N 3.49Å; L241-L243 VanDerWaalsContact C-N 3.29Å; L241-L243 PolarHBondContact O-N 3.23Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3Å; L243-Q246 PolarHBondContact O-N 2.82Å; L243-F247 HydrophobicContact CD1-CD2 4.11Å; L243-F247 HydrophobicContact CD1-CE1 4.41Å; L243-F247 HydrophobicContact CD1-CE2 3.64Å; L243-F247 HydrophobicContact CD1-CZ 3.79Å; L243-F247 HydrophobicContact CD2-CE2 3.83Å; L243-F247 HydrophobicContact CD2-CZ 4.41Å; L243-F247 HydrophobicContact CG-CD2 3.87Å; L243-F247 HydrophobicContact CG-CE2 3.48Å; L243-F247 VanDerWaalsContact CG-CE2 3.48Å; L243-F247 HydrophobicContact CG-CZ 4.14Å; L243-F247 WeakPolarHBondContact O-CD2 3.45Å; L243-F247 PolarHBondContact O-N 3.38Å
244N98.8Very high98.7Very high76 Ų7671 Ų7141%0.40634%0.339SS..Hα-helixtrans-58.3-46.7174-178.7-84000111.4S240 L241 F247 C248S240-N244 PolarHBondContact O-N 3.05Å; L241-N244 WeakPolarHBondContact O-CB 3.47Å; L241-N244 PolarHBondContact O-N 3.36Å; L241-N244 VanDerWaalsContact O-N 3.16Å; N244-F247 PolarHBondContact O-N 2.97Å; N244-C248 PolarHBondContact O-N 3.3Å; N244-C248 PolarHBondContact O-SG 3.36Å; N244-C248 VanDerWaalsContact O-SG 3.41Å
245Y98.9Very high98.7Very high46 Ų4671.6 Ų71.618%0.1834%0.342CS..Hα-helixtrans-64.9-41.9177.4-65.9-30.6000112.7Q229 M230 A233 L241 A242 L243 F247 C248 I249Q229-Y245 HydrophobicContact CB-CD2 3.95Å; Q229-Y245 HydrophobicContact CB-CE2 3.59Å; M230-Y245 HydrophobicContact CB-CD2 4.29Å; A233-Y245 HydrophobicContact CB-CE2 4.48Å; L241-Y245 HydrophobicContact CD1-CD2 4.44Å; L241-Y245 HydrophobicContact CD1-CE1 3.98Å; L241-Y245 HydrophobicContact CD1-CE2 3.87Å; L241-Y245 HydrophobicContact CD2-CE2 4.04Å; L241-Y245 HydrophobicContact CG-CD2 4.16Å; L241-Y245 HydrophobicContact CG-CE2 3.64Å; L241-Y245 PolarHBondContact O-N 3.44Å; A242-Y245 PolarHBondContact O-N 2.61Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3Å; Y245-F247 VanDerWaalsContact C-N 3.29Å; Y245-F247 PolarHBondContact O-N 3.11Å; Y245-C248 PolarHBondContact O-N 2.96Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.47Å
246Q98.9Very high98.7Very high5 Ų564.3 Ų64.32%0.02331%0.308CS..Hα-helixtrans-56.8-44.1172.7-174.367.263.500111D201 E202 L205 M230 A242 L243 I249 Q250D201-Q246 PolarHBondContact O-NE2 3.27Å; E202-Q246 PolarHBondContact O-NE2 2.66Å; L205-Q246 HydrophobicContact CB-CB 4.05Å; L205-Q246 HydrophobicContact CB-CG 3.9Å; L205-Q246 VanDerWaalsContact CB-OE1 3.27Å; L205-Q246 HydrophobicContact CD2-CB 3.97Å; L205-Q246 HydrophobicContact CD2-CG 4.49Å; M230-Q246 HydrophobicContact SD-CB 3.67Å; M230-Q246 HydrophobicContact SD-CG 4.35Å; M230-Q246 PolarHBondContact SD-OE1 3.13Å; A242-Q246 PolarHBondContact O-N 3.43Å; L243-Q246 PolarHBondContact O-N 2.82Å; Q246-I249 PolarHBondContact O-N 3.43Å; Q246-Q250 HydrophobicContact CG-CG 4.45Å; Q246-Q250 WeakPolarHBondContact O-CB 3.33Å; Q246-Q250 WeakPolarHBondContact O-CG 3.34Å; Q246-Q250 PolarHBondContact O-N 3.13Å
247F98.9Very high98.7Very high94 Ų9460 Ų6041%0.41230%0.299SS..Hα-helixtrans-65.3-38.5177.6-76.9-44.3000113L243 N244 Y245 I249 Q250 R251L243-F247 HydrophobicContact CD1-CD2 4.11Å; L243-F247 HydrophobicContact CD1-CE1 4.41Å; L243-F247 HydrophobicContact CD1-CE2 3.64Å; L243-F247 HydrophobicContact CD1-CZ 3.79Å; L243-F247 HydrophobicContact CD2-CE2 3.83Å; L243-F247 HydrophobicContact CD2-CZ 4.41Å; L243-F247 HydrophobicContact CG-CD2 3.87Å; L243-F247 HydrophobicContact CG-CE2 3.48Å; L243-F247 VanDerWaalsContact CG-CE2 3.48Å; L243-F247 HydrophobicContact CG-CZ 4.14Å; L243-F247 WeakPolarHBondContact O-CD2 3.45Å; L243-F247 PolarHBondContact O-N 3.38Å; N244-F247 PolarHBondContact O-N 2.97Å; Y245-F247 VanDerWaalsContact C-N 3.29Å; Y245-F247 PolarHBondContact O-N 3.11Å; F247-I249 VanDerWaalsContact C-N 3.33Å; F247-Q250 PolarHBondContact O-N 3.1Å; F247-R251 WeakPolarHBondContact O-CG 3.31Å; F247-R251 PolarHBondContact O-N 3.1Å
248C98.7Very high98.7Very high20 Ų2058.8 Ų58.814%0.13529%0.294CS..Hα-helixtrans-61.4-43.8174.4-69.60000111.3N244 Y245 R251 F252 F305N244-C248 PolarHBondContact O-N 3.3Å; N244-C248 PolarHBondContact O-SG 3.36Å; N244-C248 VanDerWaalsContact O-SG 3.41Å; Y245-C248 PolarHBondContact O-N 2.96Å; C248-R251 PolarHBondContact O-N 3.41Å; C248-F252 PolarHBondContact O-N 3.21Å; C248-F305 HydrophobicContact CB-CE1 4.28Å; C248-F305 HydrophobicContact CB-CZ 3.8Å
249I98.8Very high98.7Very high2 Ų259.5 Ų59.51%0.0130%0.298CS..Hα-helixtrans-62.3-47.5175.2-67.3163.8000110.5L223 K226 M230 Y245 Q246 F247 R251 F252 I253 F305L223-I249 HydrophobicContact CD1-CG2 4.41Å; K226-I249 HydrophobicContact CG-CD1 4.32Å; K226-I249 HydrophobicContact CG-CG1 4.14Å; M230-I249 HydrophobicContact SD-CD1 4.41Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.47Å; Q246-I249 PolarHBondContact O-N 3.43Å; F247-I249 VanDerWaalsContact C-N 3.33Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.36Å; I249-F252 PolarHBondContact O-N 3.25Å; I249-F252 VanDerWaalsContact O-N 3.13Å; I249-I253 HydrophobicContact CG2-CD1 3.51Å; I249-I253 HydrophobicContact CG2-CG1 4.27Å; I249-I253 WeakPolarHBondContact O-CG1 3.3Å; I249-I253 PolarHBondContact O-N 3.33Å; I249-F305 HydrophobicContact CG1-CZ 4.33Å
250Q98.9Very high98.6Very high64 Ų6456.5 Ų56.530%0.29929%0.292SS..Hα-helixtrans-59.7-38.8177.4-78.9179.9-11.200113.2E202 Q246 F247 F252 I253 N254E202-Q250 WeakPolarHBondContact O-CG 3.43Å; E202-Q250 PolarHBondContact O-NE2 3.29Å; Q246-Q250 HydrophobicContact CG-CG 4.45Å; Q246-Q250 WeakPolarHBondContact O-CB 3.33Å; Q246-Q250 WeakPolarHBondContact O-CG 3.34Å; Q246-Q250 PolarHBondContact O-N 3.13Å; F247-Q250 PolarHBondContact O-N 3.1Å; Q250-F252 PolarHBondContact O-N 3.08Å; Q250-I253 PolarHBondContact O-N 3.04Å; Q250-N254 WeakPolarHBondContact O-CB 3.45Å; Q250-N254 PolarHBondContact O-N 3.27Å
251R98.8Very high98.6Very high134 Ų13454.5 Ų54.551%0.50627%0.271SS..Hα-helixtrans-60.7-34.8177.4-74.8166.9-168.4162.63.2112F247 C248 I249 F255 K299 L303F247-R251 WeakPolarHBondContact O-CG 3.31Å; F247-R251 PolarHBondContact O-N 3.1Å; C248-R251 PolarHBondContact O-N 3.41Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.36Å; R251-F255 VanDerWaalsContact O-CB 3.31Å; R251-F255 WeakPolarHBondContact O-CB 3.49Å; R251-F255 PolarHBondContact O-N 3.07Å; R251-K299 WeakPolarHBondContact O-CE 3.23Å; R251-L303 HydrophobicContact CB-CD1 4.12Å; R251-L303 HydrophobicContact CB-CD2 4.19Å
252F98.9Very high98.5Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-73.7-53.6173176.4-108.2000111.2Y222 L223 C248 I249 Q250 N254 F255 V256 I269 A296 K299 L300 L303 F305Y222-F252 AromaticContact CE2-CE1 3.96Å; Y222-F252 HydrophobicContact CE2-CE1 3.96Å; L223-F252 HydrophobicContact CD1-CD1 3.99Å; C248-F252 PolarHBondContact O-N 3.21Å; I249-F252 PolarHBondContact O-N 3.25Å; I249-F252 VanDerWaalsContact O-N 3.13Å; Q250-F252 PolarHBondContact O-N 3.08Å; F252-N254 PolarHBondContact O-N 3.18Å; F252-F255 WeakPolarHBondContact O-CB 3.21Å; F252-F255 PolarHBondContact O-N 3.25Å; F252-F255 VanDerWaalsContact O-N 3.07Å; F252-V256 HydrophobicContact CE1-CG2 4.48Å; F252-V256 HydrophobicContact CE2-CG1 3.85Å; F252-V256 HydrophobicContact CZ-CG1 3.87Å; F252-V256 PolarHBondContact O-N 2.71Å; F252-V256 VanDerWaalsContact O-N 3.08Å; F252-I269 HydrophobicContact CE1-CD1 4.34Å; F252-I269 HydrophobicContact CZ-CD1 3.85Å; F252-I269 HydrophobicContact CZ-CG1 4.39Å; F252-I269 HydrophobicContact CZ-CG2 4.33Å; F252-A296 HydrophobicContact CE2-CB 4.42Å; F252-K299 HydrophobicContact CD2-CB 4.24Å; F252-K299 HydrophobicContact CD2-CG 3.91Å; F252-K299 HydrophobicContact CE2-CB 4.49Å; F252-L300 HydrophobicContact CD1-CD2 4.36Å; F252-L300 HydrophobicContact CD2-CD2 3.8Å; F252-L300 HydrophobicContact CD2-CG 3.97Å; F252-L300 HydrophobicContact CE1-CD2 4.16Å; F252-L300 HydrophobicContact CE2-CD1 4.15Å; F252-L300 HydrophobicContact CE2-CD2 3.58Å; F252-L300 HydrophobicContact CE2-CG 3.47Å; F252-L300 VanDerWaalsContact CE2-CG 3.47Å; F252-L300 HydrophobicContact CG-CD2 4.19Å; F252-L300 HydrophobicContact CZ-CD1 4.23Å; F252-L300 HydrophobicContact CZ-CD2 3.75Å; F252-L300 HydrophobicContact CZ-CG 3.92Å; F252-L303 HydrophobicContact CB-CD1 3.7Å; F252-F305 HydrophobicContact CB-CD2 4.34Å; F252-F305 HydrophobicContact CB-CE2 4.06Å
253I98.8Very high98.5Very high3 Ų354.1 Ų54.12%0.01528%0.277CS..Hα-helixtrans-62-47.4-174.4-61.1169.7000110.9D201 E202 T219 I249 Q250 F255 V256 V257D201-I253 HydrophobicContact CB-CD1 4.43Å; E202-I253 HydrophobicContact CB-CB 4.22Å; E202-I253 HydrophobicContact CB-CD1 3.75Å; E202-I253 HydrophobicContact CB-CG2 3.91Å; T219-I253 HydrophobicContact CG2-CD1 3.89Å; T219-I253 HydrophobicContact CG2-CG1 4.28Å; I249-I253 HydrophobicContact CG2-CD1 3.51Å; I249-I253 HydrophobicContact CG2-CG1 4.27Å; I249-I253 WeakPolarHBondContact O-CG1 3.3Å; I249-I253 PolarHBondContact O-N 3.33Å; Q250-I253 PolarHBondContact O-N 3.04Å; I253-F255 PolarHBondContact O-N 3.31Å; I253-V256 WeakPolarHBondContact O-CG2 3.28Å; I253-V256 PolarHBondContact O-N 3.29Å; I253-V257 HydrophobicContact CG2-CG2 3.97Å; I253-V257 WeakPolarHBondContact O-CB 3.49Å; I253-V257 VanDerWaalsContact O-CG2 3.23Å; I253-V257 WeakPolarHBondContact O-CG2 3.48Å; I253-V257 PolarHBondContact O-N 3.08Å
254N98.8Very high98.5Very high86 Ų8650.9 Ų50.946%0.4626%0.261SS..Hα-helixtrans-62-31.1177.2-172.531.4000112.4Q250 F252 K258Q250-N254 WeakPolarHBondContact O-CB 3.45Å; Q250-N254 PolarHBondContact O-N 3.27Å; F252-N254 PolarHBondContact O-N 3.18Å; N254-K258 VanDerWaalsContact O-CG 3.3Å; N254-K258 WeakPolarHBondContact O-CG 3.4Å; N254-K258 PolarHBondContact O-N 3.49Å
255F98.8Very high98.5Very high67 Ų6749 Ų4929%0.29425%0.25SC..Hα-helixtrans-65.9-51.2174.3173.4-91.3000110.9R251 F252 I253 V257 K258 L259 S295 K299R251-F255 VanDerWaalsContact O-CB 3.31Å; R251-F255 WeakPolarHBondContact O-CB 3.49Å; R251-F255 PolarHBondContact O-N 3.07Å; F252-F255 WeakPolarHBondContact O-CB 3.21Å; F252-F255 PolarHBondContact O-N 3.25Å; F252-F255 VanDerWaalsContact O-N 3.07Å; I253-F255 PolarHBondContact O-N 3.31Å; F255-V257 PolarHBondContact O-N 3.2Å; F255-K258 PolarHBondContact O-N 2.84Å; F255-L259 HydrophobicContact CD1-CD1 4.21Å; F255-L259 HydrophobicContact CE1-CD1 3.61Å; F255-L259 HydrophobicContact CZ-CD1 3.95Å; F255-S295 WeakPolarHBondContact CE1-O 3.5Å; F255-K299 HydrophobicContact CB-CD 4.17Å; F255-K299 HydrophobicContact CB-CG 4.04Å; F255-K299 HydrophobicContact CD1-CB 3.71Å; F255-K299 HydrophobicContact CD1-CD 4.11Å; F255-K299 HydrophobicContact CD1-CG 3.59Å; F255-K299 HydrophobicContact CD2-CD 3.95Å; F255-K299 HydrophobicContact CD2-CG 4.35Å; F255-K299 HydrophobicContact CE1-CB 3.72Å; F255-K299 HydrophobicContact CE1-CG 4.1Å; F255-K299 HydrophobicContact CE2-CD 4.35Å; F255-K299 HydrophobicContact CG-CB 4.3Å; F255-K299 HydrophobicContact CG-CD 3.8Å; F255-K299 HydrophobicContact CG-CG 3.73Å; F255-K299 HydrophobicContact CZ-CB 4.31Å
256V98.4Very high98.5Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-70.2-31.9180-640000112.6F252 I253 K258 L259 G260 F261 I269 F292 A296F252-V256 HydrophobicContact CE1-CG2 4.48Å; F252-V256 HydrophobicContact CE2-CG1 3.85Å; F252-V256 HydrophobicContact CZ-CG1 3.87Å; F252-V256 PolarHBondContact O-N 2.71Å; F252-V256 VanDerWaalsContact O-N 3.08Å; I253-V256 WeakPolarHBondContact O-CG2 3.28Å; I253-V256 PolarHBondContact O-N 3.29Å; V256-K258 VanDerWaalsContact C-N 3.29Å; V256-K258 PolarHBondContact O-N 3.49Å; V256-L259 WeakPolarHBondContact O-CB 3.23Å; V256-L259 PolarHBondContact O-N 2.99Å; V256-G260 PolarHBondContact O-N 3.2Å; V256-F261 HydrophobicContact CB-CB 4.3Å; V256-F261 HydrophobicContact CB-CD2 4.13Å; V256-F261 HydrophobicContact CB-CG 4.27Å; V256-F261 HydrophobicContact CG2-CB 4.1Å; V256-F261 HydrophobicContact CG2-CD1 4.04Å; V256-F261 HydrophobicContact CG2-CD2 3.76Å; V256-F261 HydrophobicContact CG2-CE1 4.43Å; V256-F261 HydrophobicContact CG2-CE2 4.21Å; V256-F261 HydrophobicContact CG2-CG 3.7Å; V256-F261 WeakPolarHBondContact O-CB 3.45Å; V256-I269 HydrophobicContact CG1-CD1 4.47Å; V256-F292 HydrophobicContact CB-CE2 3.95Å; V256-F292 HydrophobicContact CB-CZ 3.98Å; V256-F292 HydrophobicContact CG1-CE2 4.14Å; V256-F292 HydrophobicContact CG1-CZ 3.94Å; V256-A296 HydrophobicContact CG1-CB 4.23Å
257V97.9Very high98.5Very high72 Ų7246.9 Ų46.944%0.43624%0.241SC..Hα-helixtrans-57.7-42.41741650000111.1I253 F255 L259 G260 F261I253-V257 HydrophobicContact CG2-CG2 3.97Å; I253-V257 WeakPolarHBondContact O-CB 3.49Å; I253-V257 VanDerWaalsContact O-CG2 3.23Å; I253-V257 WeakPolarHBondContact O-CG2 3.48Å; I253-V257 PolarHBondContact O-N 3.08Å; F255-V257 PolarHBondContact O-N 3.2Å; V257-L259 PolarHBondContact O-N 2.99Å; V257-G260 PolarHBondContact O-N 2.88Å; V257-F261 HydrophobicContact CG2-CB 4.17Å; V257-F261 HydrophobicContact CG2-CD1 4.23Å
258K98.1Very high98.5Very high156 Ų15643.3 Ų43.368%0.67823%0.229SC*.Hα-helixtrans-64-22.9176.2-71.5169.1-178.5-1790113.8N254 F255 V256N254-K258 VanDerWaalsContact O-CG 3.3Å; N254-K258 WeakPolarHBondContact O-CG 3.4Å; N254-K258 PolarHBondContact O-N 3.49Å; F255-K258 PolarHBondContact O-N 2.84Å; V256-K258 VanDerWaalsContact C-N 3.29Å; V256-K258 PolarHBondContact O-N 3.49Å
259L97.7Very high98.5Very high87 Ų8742.5 Ų42.546%0.45522%0.224SC..THydrogen-bonded Turntrans-90.7-3.2176.9-57.1179.6000112.9F255 V256 V257 F292F255-L259 HydrophobicContact CD1-CD1 4.21Å; F255-L259 HydrophobicContact CE1-CD1 3.61Å; F255-L259 HydrophobicContact CZ-CD1 3.95Å; V256-L259 WeakPolarHBondContact O-CB 3.23Å; V256-L259 PolarHBondContact O-N 2.99Å; V257-L259 PolarHBondContact O-N 2.99Å; L259-F292 HydrophobicContact CB-CD2 3.96Å; L259-F292 HydrophobicContact CB-CE2 4.17Å; L259-F292 HydrophobicContact CD1-CD2 4.33Å
260G97.1Very high98.5Very high40 Ų4042.4 Ų42.441%0.41222%0.223SC..  trans8796.5-169.900000111.2V256 V257 Q265V256-G260 PolarHBondContact O-N 3.2Å; V257-G260 PolarHBondContact O-N 2.88Å; G260-Q265 WeakPolarHBondContact O-CG 3.35Å
261F98.3Very high98.5Very high56 Ų5641.7 Ų41.725%0.24622%0.223CC..  trans-113.1120.8-177.1-177.1-125000111.9V256 V257 Q265 T266 I269 F292V256-F261 HydrophobicContact CB-CB 4.3Å; V256-F261 HydrophobicContact CB-CD2 4.13Å; V256-F261 HydrophobicContact CB-CG 4.27Å; V256-F261 HydrophobicContact CG2-CB 4.1Å; V256-F261 HydrophobicContact CG2-CD1 4.04Å; V256-F261 HydrophobicContact CG2-CD2 3.76Å; V256-F261 HydrophobicContact CG2-CE1 4.43Å; V256-F261 HydrophobicContact CG2-CE2 4.21Å; V256-F261 HydrophobicContact CG2-CG 3.7Å; V256-F261 WeakPolarHBondContact O-CB 3.45Å; V257-F261 HydrophobicContact CG2-CB 4.17Å; V257-F261 HydrophobicContact CG2-CD1 4.23Å; F261-Q265 HydrophobicContact CD2-CB 3.59Å; F261-Q265 HydrophobicContact CD2-CG 4.46Å; F261-Q265 HydrophobicContact CE2-CB 3.99Å; F261-T266 WeakPolarHBondContact CZ-OG1 3.4Å; F261-I269 HydrophobicContact CD2-CD1 4.43Å; F261-I269 HydrophobicContact CE2-CD1 3.8Å; F261-F292 HydrophobicContact CD2-CZ 4.27Å
262G98Very high98.5Very high30 Ų3037.4 Ų37.431%0.30921%0.21SC..SBendtrans-147-159.117400000112.3S264 Q265 T266G262-S264 PolarHBondContact O-N 3.27Å; G262-Q265 PolarHBondContact O-N 3.27Å; G262-T266 PolarHBondContact O-N 3.04Å; G262-T266 PolarHBondContact O-OG1 3.35Å
263V98.7Very high98.5Very high23 Ų2338.4 Ų38.414%0.13922%0.216CC..Hα-helixtrans-62.7-42.3-176.7177.70000111.5T51 E54 Q265 T266 K267 L285T51-V263 HydrophobicContact CG2-CG2 4.3Å; E54-V263 HydrophobicContact CG-CG1 3.69Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 2.87Å; V263-T266 WeakPolarHBondContact O-CA 3.41Å; V263-T266 VanDerWaalsContact O-CB 3.3Å; V263-T266 WeakPolarHBondContact O-CB 3.3Å; V263-T266 PolarHBondContact O-N 3.42Å; V263-T266 VanDerWaalsContact O-N 3.08Å; V263-K267 PolarHBondContact O-N 2.94Å; V263-L285 HydrophobicContact CB-CD1 3.72Å; V263-L285 HydrophobicContact CG1-CD1 3.89Å
264S98.8Very high98.5Very high8 Ų839.3 Ų39.36%0.05622%0.223CC..Hα-helixtrans-55.5-46.6177.3-53.50000113.2G262 T266 K267 A268 Q286G262-S264 PolarHBondContact O-N 3.27Å; S264-T266 VanDerWaalsContact C-N 3.31Å; S264-K267 PolarHBondContact O-N 3.28Å; S264-A268 PolarHBondContact O-N 3.44Å; S264-Q286 WeakPolarHBondContact CB-O 3.49Å; S264-Q286 PolarHBondContact OG-O 2.91Å
265Q98.9Very high98.5Very high37 Ų3738.1 Ų38.117%0.17323%0.231CC..Hα-helixtrans-66.4-36.9178.4-73.674.724.700111.2G260 F261 G262 V263 K267 A268 I269 A288 F292G260-Q265 WeakPolarHBondContact O-CG 3.35Å; F261-Q265 HydrophobicContact CD2-CB 3.59Å; F261-Q265 HydrophobicContact CD2-CG 4.46Å; F261-Q265 HydrophobicContact CE2-CB 3.99Å; G262-Q265 PolarHBondContact O-N 3.27Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 2.87Å; Q265-K267 VanDerWaalsContact C-N 3.35Å; Q265-K267 PolarHBondContact O-N 3.46Å; Q265-A268 PolarHBondContact O-N 3.04Å; Q265-I269 WeakPolarHBondContact O-CD1 3.36Å; Q265-I269 WeakPolarHBondContact O-CG1 3.35Å; Q265-I269 PolarHBondContact O-N 3.48Å; Q265-A288 HydrophobicContact CG-CB 4.22Å; Q265-F292 HydrophobicContact CB-CD1 4.16Å; Q265-F292 HydrophobicContact CB-CE1 3.4Å; Q265-F292 VanDerWaalsContact CB-CE1 3.4Å; Q265-F292 HydrophobicContact CB-CE2 4.02Å; Q265-F292 HydrophobicContact CB-CZ 3.34Å; Q265-F292 HydrophobicContact CG-CD1 3.72Å; Q265-F292 HydrophobicContact CG-CD2 3.8Å; Q265-F292 HydrophobicContact CG-CE1 3.43Å; Q265-F292 VanDerWaalsContact CG-CE1 3.43Å; Q265-F292 HydrophobicContact CG-CE2 3.49Å; Q265-F292 VanDerWaalsContact CG-CE2 3.49Å; Q265-F292 HydrophobicContact CG-CG 3.93Å; Q265-F292 HydrophobicContact CG-CZ 3.33Å
266T98.9Very high98.5Very high4 Ų435 Ų353%0.02522%0.217CC..Hα-helixtrans-61-42174.3-52.80000111.2I16 T52 Y222 F261 G262 V263 S264 A268 I269 M270I16-T266 HydrophobicContact CD1-CG2 4.09Å; I16-T266 HydrophobicContact CG1-CG2 4.44Å; T52-T266 HydrophobicContact CG2-CG2 4.09Å; Y222-T266 HydrophobicContact CE1-CG2 3.9Å; F261-T266 WeakPolarHBondContact CZ-OG1 3.4Å; G262-T266 PolarHBondContact O-N 3.04Å; G262-T266 PolarHBondContact O-OG1 3.35Å; V263-T266 WeakPolarHBondContact O-CA 3.41Å; V263-T266 VanDerWaalsContact O-CB 3.3Å; V263-T266 WeakPolarHBondContact O-CB 3.3Å; V263-T266 PolarHBondContact O-N 3.42Å; V263-T266 VanDerWaalsContact O-N 3.08Å; S264-T266 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 3.48Å; T266-I269 PolarHBondContact O-N 3.29Å; T266-M270 WeakPolarHBondContact O-CB 3.48Å; T266-M270 PolarHBondContact O-N 3.27Å
267K98.9Very high98.5Very high1 Ų138 Ų380%0.00424%0.237CC..Hα-helixtrans-61.8-42.9175-58.8-169.781.1156.70112.3I16 T17 E54 V263 S264 Q265 M270 T271 M278 P280 P281I16-K267 HydrophobicContact CG2-CD 4.1Å; I16-K267 HydrophobicContact CG2-CG 3.73Å; T17-K267 WeakPolarHBondContact O-CE 3.47Å; T17-K267 PolarHBondContact O-NZ 2.88Å; E54-K267 WeakPolarHBondContact OE1-CD 3.28Å; E54-K267 IonicContact OE1-NZ 3.04Å; E54-K267 PolarHBondContact OE1-NZ 3.45Å; V263-K267 PolarHBondContact O-N 2.94Å; S264-K267 PolarHBondContact O-N 3.28Å; Q265-K267 VanDerWaalsContact C-N 3.35Å; Q265-K267 PolarHBondContact O-N 3.46Å; K267-M270 PolarHBondContact O-N 3.35Å; K267-T271 WeakPolarHBondContact O-CB 3.35Å; K267-T271 PolarHBondContact O-N 2.93Å; K267-T271 PolarHBondContact O-OG1 2.95Å; K267-M278 HydrophobicContact CB-CB 4.04Å; K267-M278 WeakPolarHBondContact CE-O 3.4Å; K267-P280 PolarHBondContact NZ-O 2.93Å; K267-P281 HydrophobicContact CD-CB 4Å
268A98.9Very high98.5Very high20 Ų2034.6 Ų34.617%0.16522%0.216CC..Hα-helixtrans-64-46.2178.500000111.8S264 Q265 T266 T271 L272 A288S264-A268 PolarHBondContact O-N 3.44Å; Q265-A268 PolarHBondContact O-N 3.04Å; T266-A268 PolarHBondContact O-N 3.48Å; A268-T271 PolarHBondContact O-N 2.96Å; A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.17Å; A268-A288 HydrophobicContact CB-CB 3.82Å
269I98.9Very high98.5Very high2 Ų228 Ų281%0.0119%0.192CC..Hα-helixtrans-63.3-43.8177.3-68.5159.1000111Y222 F252 V256 F261 Q265 T266 T271 L272 V273 F292 A296 L300Y222-I269 HydrophobicContact CD1-CG2 3.95Å; Y222-I269 HydrophobicContact CD2-CG2 3.57Å; Y222-I269 HydrophobicContact CE1-CB 4.39Å; Y222-I269 HydrophobicContact CE1-CG2 3.92Å; Y222-I269 HydrophobicContact CE2-CG2 3.57Å; Y222-I269 HydrophobicContact CG-CG2 3.8Å; F252-I269 HydrophobicContact CE1-CD1 4.34Å; F252-I269 HydrophobicContact CZ-CD1 3.85Å; F252-I269 HydrophobicContact CZ-CG1 4.39Å; F252-I269 HydrophobicContact CZ-CG2 4.33Å; V256-I269 HydrophobicContact CG1-CD1 4.47Å; F261-I269 HydrophobicContact CD2-CD1 4.43Å; F261-I269 HydrophobicContact CE2-CD1 3.8Å; Q265-I269 WeakPolarHBondContact O-CD1 3.36Å; Q265-I269 WeakPolarHBondContact O-CG1 3.35Å; Q265-I269 PolarHBondContact O-N 3.48Å; T266-I269 PolarHBondContact O-N 3.29Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.02Å; I269-L272 WeakPolarHBondContact O-CB 3.29Å; I269-L272 PolarHBondContact O-N 3.5Å; I269-V273 HydrophobicContact CG2-CG2 4.07Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 VanDerWaalsContact O-CG2 3.3Å; I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 3.08Å; I269-F292 HydrophobicContact CD1-CE1 4.02Å; I269-F292 HydrophobicContact CD1-CZ 3.96Å; I269-F292 HydrophobicContact CG1-CE1 4.12Å; I269-A296 HydrophobicContact CD1-CB 4.46Å; I269-A296 HydrophobicContact CG1-CB 4.06Å; I269-L300 HydrophobicContact CG2-CD1 4.3Å
270M98.9Very high98.6Very high0 Ų024.6 Ų24.60%018%0.175CC..Hα-helixtrans-62.1-43176.8179.361.4-171.900111.6I16 Y33 Y36 N221 Y222 T266 K267 L272 V273 S274 M278I16-M270 HydrophobicContact CD1-CB 3.42Å; I16-M270 VanDerWaalsContact CD1-CB 3.42Å; I16-M270 HydrophobicContact CD1-CG 3.75Å; Y33-M270 HydrophobicContact CD2-CE 3.55Å; Y33-M270 HydrophobicContact CE2-CE 3.13Å; Y33-M270 HydrophobicContact CE2-SD 4.21Å; Y33-M270 HydrophobicContact CG-CE 4.44Å; Y36-M270 HydrophobicContact CD1-CE 3.53Å; Y36-M270 HydrophobicContact CE1-CE 3.51Å; Y36-M270 HydrophobicContact CE1-SD 4.12Å; Y36-M270 HydrophobicContact CG-CE 4.5Å; N221-M270 HydrophobicContact CB-SD 3.88Å; N221-M270 VanDerWaalsContact O-SD 3.42Å; Y222-M270 HydrophobicContact CD1-CB 4.31Å; Y222-M270 HydrophobicContact CD1-SD 4.48Å; T266-M270 WeakPolarHBondContact O-CB 3.48Å; T266-M270 PolarHBondContact O-N 3.27Å; K267-M270 PolarHBondContact O-N 3.35Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-L272 PolarHBondContact O-N 3.24Å; M270-V273 PolarHBondContact O-N 3.3Å; M270-S274 WeakPolarHBondContact CE-OG 3.5Å; M270-S274 VanDerWaalsContact O-CB 3.29Å; M270-S274 WeakPolarHBondContact O-CB 3.32Å; M270-S274 PolarHBondContact O-N 2.79Å; M270-S274 PolarHBondContact O-OG 2.78Å; M270-M278 HydrophobicContact CB-CG 3.91Å; M270-M278 HydrophobicContact CG-CG 3.7Å; M270-M278 HydrophobicContact CG-SD 3.84Å
271T98.9Very high98.7Very high49 Ų4923.4 Ų23.430%0.30116%0.16SC..Hα-helixtrans-58.5-46.6175-58.20000111.3K267 A268 I269 G275 I276 M278K267-T271 WeakPolarHBondContact O-CB 3.35Å; K267-T271 PolarHBondContact O-N 2.93Å; K267-T271 PolarHBondContact O-OG1 2.95Å; A268-T271 PolarHBondContact O-N 2.96Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.02Å; T271-G275 VanDerWaalsContact O-CA 3.28Å; T271-G275 WeakPolarHBondContact O-CA 3.38Å; T271-G275 PolarHBondContact O-N 3.29Å; T271-I276 WeakPolarHBondContact CA-O 3.2Å; T271-M278 WeakPolarHBondContact OG1-CB 3.13Å; T271-M278 PolarHBondContact OG1-N 2.86Å; T271-M278 VanDerWaalsContact OG1-N 3.17Å
272L98.6Very high98.7Very high44 Ų4423.1 Ų23.123%0.2316%0.157CC..Hα-helixtrans-59.8-50.5177.4171.469.2000112.7A268 I269 M270 E297 L300 L306A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.17Å; I269-L272 WeakPolarHBondContact O-CB 3.29Å; I269-L272 PolarHBondContact O-N 3.5Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-L272 PolarHBondContact O-N 3.24Å; L272-E297 HydrophobicContact CD1-CB 4.11Å; L272-E297 HydrophobicContact CD1-CG 3.89Å; L272-E297 HydrophobicContact CD2-CB 3.56Å; L272-E297 HydrophobicContact CD2-CG 4.03Å; L272-E297 HydrophobicContact CG-CB 4.44Å; L272-E297 HydrophobicContact CG-CG 4.47Å; L272-L300 HydrophobicContact CD2-CD1 4.01Å; L272-L306 HydrophobicContact CG-CD2 4.41Å
273V98.6Very high98.7Very high22 Ų2228.5 Ų28.513%0.13318%0.179CC..Hα-helixtrans-80.4-28.6-169.8178.10000112.4Y36 I269 M270 L300 L306Y36-V273 PolarHBondContact OH-O 2.88Å; I269-V273 HydrophobicContact CG2-CG2 4.07Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 VanDerWaalsContact O-CG2 3.3Å; I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 3.08Å; M270-V273 PolarHBondContact O-N 3.3Å; V273-L300 HydrophobicContact CG2-CD1 3.55Å; V273-L306 HydrophobicContact CG1-CD1 4.4Å
274S98.5Very high98.7Very high22 Ų2233.1 Ų33.115%0.15421%0.209CC..Hα-helixtrans-99.6-22.1-178.569.90000114.4Y36 M270 I276Y36-S274 VanDerWaalsContact CZ-CB 3.43Å; M270-S274 WeakPolarHBondContact CE-OG 3.5Å; M270-S274 VanDerWaalsContact O-CB 3.29Å; M270-S274 WeakPolarHBondContact O-CB 3.32Å; M270-S274 PolarHBondContact O-N 2.79Å; M270-S274 PolarHBondContact O-OG 2.78Å; S274-I276 PolarHBondContact O-N 2.77Å; S274-I276 WeakPolarHBondContact OG-CB 3.41Å; S274-I276 PolarHBondContact OG-N 2.83Å
275G98.4Very high98.7Very high60 Ų6035.4 Ų35.462%0.61922%0.22SC*.  trans70.31.3-165.700000114.5T271T271-G275 VanDerWaalsContact O-CA 3.28Å; T271-G275 WeakPolarHBondContact O-CA 3.38Å; T271-G275 PolarHBondContact O-N 3.29Å
276I98.8Very high98.7Very high1 Ų141.3 Ų41.31%0.00525%0.248CC..  trans-86.4124.6179.2-51.6176.1000108.7V29 Q32 Y36 T271 S274 M278V29-I276 HydrophobicContact CB-CG2 3.77Å; V29-I276 HydrophobicContact CG1-CG2 4.35Å; V29-I276 HydrophobicContact CG2-CG2 4.13Å; Q32-I276 HydrophobicContact CB-CD1 4.44Å; Q32-I276 HydrophobicContact CG-CD1 3.88Å; Q32-I276 HydrophobicContact CG-CG1 4.13Å; Y36-I276 HydrophobicContact CG-CD1 4.12Å; T271-I276 WeakPolarHBondContact CA-O 3.2Å; S274-I276 PolarHBondContact O-N 2.77Å; S274-I276 WeakPolarHBondContact OG-CB 3.41Å; S274-I276 PolarHBondContact OG-N 2.83Å; I276-M278 HydrophobicContact CB-CE 3.72Å; I276-M278 HydrophobicContact CG2-CE 3.36Å; I276-M278 WeakPolarHBondContact O-CE 3.39Å; I276-M278 PolarHBondContact O-N 3.47Å
277P98.6Very high98.6Very high64 Ų6446.6 Ų46.642%0.41627%0.271SS..  trans-72.7100.8-174.729.2-34.4000111.1V29 G279V29-P277 HydrophobicContact CG1-CG 4.12Å; P277-G279 PolarHBondContact O-N 3.49Å
278M98.8Very high98.6Very high0 Ų047.3 Ų47.30%028%0.276CS..  trans-74.3-19173-60.1-64.197.800112.4I16 P18 M19 Y33 K267 M270 T271 I276I16-M278 HydrophobicContact CB-SD 3.99Å; I16-M278 HydrophobicContact CD1-CG 4.3Å; I16-M278 HydrophobicContact CD1-SD 4.29Å; I16-M278 HydrophobicContact CG2-CB 4.14Å; I16-M278 HydrophobicContact CG2-CG 4.15Å; I16-M278 HydrophobicContact CG2-SD 3.73Å; P18-M278 WeakPolarHBondContact CA-O 3.37Å; P18-M278 HydrophobicContact CB-CE 4.26Å; P18-M278 HydrophobicContact CB-SD 4.44Å; P18-M278 HydrophobicContact CG-CE 4.03Å; P18-M278 HydrophobicContact CG-SD 4.1Å; M19-M278 PolarHBondContact N-O 2.97Å; Y33-M278 HydrophobicContact CD1-CE 4.06Å; Y33-M278 HydrophobicContact CD1-SD 4.12Å; Y33-M278 HydrophobicContact CE1-CE 4.2Å; Y33-M278 HydrophobicContact CE1-SD 3.67Å; K267-M278 HydrophobicContact CB-CB 4.04Å; K267-M278 WeakPolarHBondContact CE-O 3.4Å; M270-M278 HydrophobicContact CB-CG 3.91Å; M270-M278 HydrophobicContact CG-CG 3.7Å; M270-M278 HydrophobicContact CG-SD 3.84Å; T271-M278 WeakPolarHBondContact OG1-CB 3.13Å; T271-M278 PolarHBondContact OG1-N 2.86Å; T271-M278 VanDerWaalsContact OG1-N 3.17Å; I276-M278 HydrophobicContact CB-CE 3.72Å; I276-M278 HydrophobicContact CG2-CE 3.36Å; I276-M278 WeakPolarHBondContact O-CE 3.39Å; I276-M278 PolarHBondContact O-N 3.47Å
279G98.5Very high98.6Very high17 Ų1749.4 Ų49.418%0.17529%0.29CS..  trans63.7-167.3-178.800000114.2M19 P277M19-G279 WeakPolarHBondContact O-CA 3.34Å; P277-G279 PolarHBondContact O-N 3.49Å
280P98.8Very high98.6Very high17 Ų1758.8 Ų58.811%0.1133%0.325CS..PPolyproline II helixtrans-69.7157.8-179.431-35.4000111.7M19 T20 K267 K287M19-P280 WeakPolarHBondContact CB-O 3.3Å; T20-P280 WeakPolarHBondContact O-CD 3.25Å; T20-P280 WeakPolarHBondContact O-CG 3.42Å; K267-P280 PolarHBondContact NZ-O 2.93Å; P280-K287 HydrophobicContact CB-CD 4.44Å
281P98.8Very high98.5Very high14 Ų1465.9 Ų65.99%0.09136%0.358CS..PPolyproline II helixtrans-76.8165.4162.337.6-36.7000110.3E54 K267 L285E54-P281 WeakPolarHBondContact OE2-CA 3.1Å; E54-P281 WeakPolarHBondContact OE2-CB 3.26Å; K267-P281 HydrophobicContact CD-CB 4Å; P281-L285 HydrophobicContact CB-CB 3.73Å; P281-L285 HydrophobicContact CB-CD1 4.05Å; P281-L285 HydrophobicContact CG-CB 3.91Å
282R98.7Very high98.5Very high50 Ų5064 Ų6419%0.18935%0.346CS..PPolyproline II helixtrans-88.6145.9173.8-173.9172-71-179.4-3.4110.4M19 G23 E54 S57 E62 L285M19-R282 HydrophobicContact CE-CB 3.88Å; M19-R282 HydrophobicContact SD-CB 3.98Å; G23-R282 PolarHBondContact O-NH2 2.79Å; E54-R282 PolarHBondContact OE2-N 3.42Å; S57-R282 WeakPolarHBondContact O-CD 3.34Å; S57-R282 PolarHBondContact O-NH1 2.88Å; S57-R282 VanDerWaalsContact O-NH1 3.17Å; E62-R282 VanDerWaalsContact CD-NH1 3.32Å; E62-R282 IonicContact OE1-CZ 2.74Å; E62-R282 VanDerWaalsContact OE1-CZ 3.26Å; E62-R282 IonicContact OE1-NH1 3.83Å; E62-R282 PolarHBondContact OE1-NH1 3.48Å; E62-R282 IonicContact OE1-NH2 3.14Å; E62-R282 PolarHBondContact OE1-NH2 2.67Å; E62-R282 IonicContact OE2-CZ 2.66Å; E62-R282 IonicContact OE2-NH1 3.55Å; E62-R282 PolarHBondContact OE2-NH1 2.83Å; R282-L285 WeakPolarHBondContact O-CB 3.46Å; R282-L285 PolarHBondContact O-N 3.17Å
283L98.4Very high98.5Very high144 Ų14463.5 Ų63.575%0.75435%0.345SS*.THydrogen-bonded Turntrans-51.8141.8170.8-73175.1000110.5
284P98.4Very high98.5Very high120 Ų12066.1 Ų66.178%0.77936%0.358SS*.THydrogen-bonded Turncis-84.95.813.435.4-38000115.3
285L98.7Very high98.5Very high56 Ų5666.7 Ų66.729%0.29336%0.362SS..SBendtrans-75151.7174.4-62-179.8000111.4E54 V263 P281 R282E54-L285 HydrophobicContact CG-CD1 4.12Å; V263-L285 HydrophobicContact CB-CD1 3.72Å; V263-L285 HydrophobicContact CG1-CD1 3.89Å; P281-L285 HydrophobicContact CB-CB 3.73Å; P281-L285 HydrophobicContact CB-CD1 4.05Å; P281-L285 HydrophobicContact CG-CB 3.91Å; R282-L285 WeakPolarHBondContact O-CB 3.46Å; R282-L285 PolarHBondContact O-N 3.17Å
286Q98.3Very high98.5Very high160 Ų16063.9 Ų63.975%0.74833%0.333SS*.  trans-114.3141.3177.4-172.2174.81800110.4S264 A288S264-Q286 WeakPolarHBondContact CB-O 3.49Å; S264-Q286 PolarHBondContact OG-O 2.91Å; Q286-A288 PolarHBondContact O-N 2.81Å
287K98.4Very high98.5Very high116 Ų11665.9 Ų65.950%0.50434%0.342SS..PPolyproline II helixtrans-52.3137.4174.4-168.2171.9-171.1164.70110.2E21 P280E21-K287 IonicContact OE1-NZ 3.55Å; E21-K287 PolarHBondContact OE1-NZ 2.81Å; E21-K287 VanDerWaalsContact OE1-NZ 3.1Å; E21-K287 IonicContact OE2-NZ 2.89Å; E21-K287 PolarHBondContact OE2-NZ 2.97Å; P280-K287 HydrophobicContact CB-CD 4.44Å
288A98.3Very high98.5Very high15 Ų1565.8 Ų65.812%0.12435%0.347CS..PPolyproline II helixtrans-61.2147.4177.200000110.5Q265 A268 Q286 F292Q265-A288 HydrophobicContact CG-CB 4.22Å; A268-A288 HydrophobicContact CB-CB 3.82Å; Q286-A288 PolarHBondContact O-N 2.81Å; A288-F292 HydrophobicContact CB-CD1 4.02Å
289S98.5Very high98.5Very high64 Ų6468.3 Ų68.345%0.44836%0.358SS..PPolyproline II helixtrans-69.5157176.968.60000111E291 F292 T293S289-E291 VanDerWaalsContact C-N 3.29Å; S289-E291 PolarHBondContact O-N 2.66Å; S289-F292 PolarHBondContact O-N 3.43Å; S289-F292 WeakPolarHBondContact OG-CB 3.38Å; S289-F292 PolarHBondContact OG-N 3.41Å; S289-F292 VanDerWaalsContact OG-N 3.07Å; S289-T293 PolarHBondContact O-N 2.84Å; S289-T293 VanDerWaalsContact O-N 3.17Å; S289-T293 PolarHBondContact O-OG1 3.38Å
290R97.9Very high98.5Very high199 Ų19967.5 Ų67.575%0.75135%0.349SS*.Hα-helixtrans-59.3-43.9170.5-177.6178.8173.2176.13111.2F292 T293 D294R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 PolarHBondContact O-N 3.08Å; R290-T293 WeakPolarHBondContact O-CB 3.24Å; R290-T293 PolarHBondContact O-N 2.85Å; R290-D294 IonicContact NE-OD2 2.97Å; R290-D294 PolarHBondContact O-N 3.34Å
291E98.4Very high98.4Very high150 Ų15068.3 Ų68.370%0.70135%0.351SS*.Hα-helixtrans-55.9-42.9177.2-176.8-178.2-172.900112.6S289 T293 S295S289-E291 VanDerWaalsContact C-N 3.29Å; S289-E291 PolarHBondContact O-N 2.66Å; E291-T293 VanDerWaalsContact C-N 3.35Å; E291-S295 VanDerWaalsContact O-CB 3.24Å; E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.06Å; E291-S295 PolarHBondContact O-OG 3.02Å
292F98.8Very high98.4Very high10 Ų1071 Ų714%0.04437%0.371CS..Hα-helixtrans-60.7-45.9174173.7-87.2000111.2V256 L259 F261 Q265 I269 A288 S289 R290 S295 A296V256-F292 HydrophobicContact CB-CE2 3.95Å; V256-F292 HydrophobicContact CB-CZ 3.98Å; V256-F292 HydrophobicContact CG1-CE2 4.14Å; V256-F292 HydrophobicContact CG1-CZ 3.94Å; L259-F292 HydrophobicContact CB-CD2 3.96Å; L259-F292 HydrophobicContact CB-CE2 4.17Å; L259-F292 HydrophobicContact CD1-CD2 4.33Å; F261-F292 HydrophobicContact CD2-CZ 4.27Å; Q265-F292 HydrophobicContact CB-CD1 4.16Å; Q265-F292 HydrophobicContact CB-CE1 3.4Å; Q265-F292 VanDerWaalsContact CB-CE1 3.4Å; Q265-F292 HydrophobicContact CB-CE2 4.02Å; Q265-F292 HydrophobicContact CB-CZ 3.34Å; Q265-F292 HydrophobicContact CG-CD1 3.72Å; Q265-F292 HydrophobicContact CG-CD2 3.8Å; Q265-F292 HydrophobicContact CG-CE1 3.43Å; Q265-F292 VanDerWaalsContact CG-CE1 3.43Å; Q265-F292 HydrophobicContact CG-CE2 3.49Å; Q265-F292 VanDerWaalsContact CG-CE2 3.49Å; Q265-F292 HydrophobicContact CG-CG 3.93Å; Q265-F292 HydrophobicContact CG-CZ 3.33Å; I269-F292 HydrophobicContact CD1-CE1 4.02Å; I269-F292 HydrophobicContact CD1-CZ 3.96Å; I269-F292 HydrophobicContact CG1-CE1 4.12Å; A288-F292 HydrophobicContact CB-CD1 4.02Å; S289-F292 PolarHBondContact O-N 3.43Å; S289-F292 WeakPolarHBondContact OG-CB 3.38Å; S289-F292 PolarHBondContact OG-N 3.41Å; S289-F292 VanDerWaalsContact OG-N 3.07Å; R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 PolarHBondContact O-N 3.08Å; F292-S295 PolarHBondContact O-N 3.26Å; F292-A296 HydrophobicContact CE1-CB 4.23Å; F292-A296 HydrophobicContact CZ-CB 4.44Å; F292-A296 WeakPolarHBondContact O-CB 3.36Å; F292-A296 PolarHBondContact O-N 3.02Å
293T98.4Very high98.3Very high33 Ų3369.9 Ų69.920%0.20237%0.368CS..Hα-helixtrans-65.8-47-175.6-52.50000111.1S289 R290 E291 S295 A296 E297S289-T293 PolarHBondContact O-N 2.84Å; S289-T293 VanDerWaalsContact O-N 3.17Å; S289-T293 PolarHBondContact O-OG1 3.38Å; R290-T293 WeakPolarHBondContact O-CB 3.24Å; R290-T293 PolarHBondContact O-N 2.85Å; E291-T293 VanDerWaalsContact C-N 3.35Å; T293-S295 VanDerWaalsContact C-N 3.31Å; T293-S295 PolarHBondContact O-N 3.25Å; T293-A296 PolarHBondContact O-N 3.44Å; T293-E297 PolarHBondContact O-N 2.91Å
294D98.4Very high98.2Very high76 Ų7669.8 Ų69.841%0.40637%0.368SS..Hα-helixtrans-61.8-40.5176.9-63-7.9000110.7R290 E297 A298R290-D294 IonicContact NE-OD2 2.97Å; R290-D294 PolarHBondContact O-N 3.34Å; D294-E297 PolarHBondContact O-N 3.01Å; D294-A298 PolarHBondContact O-N 3.42Å
295S98.5Very high98Very high35 Ų3565.5 Ų65.525%0.24534%0.338CS..Hα-helixtrans-65.2-42.7176.1-63.20000112.5F255 E291 F292 T293 K299F255-S295 WeakPolarHBondContact CE1-O 3.5Å; E291-S295 VanDerWaalsContact O-CB 3.24Å; E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.06Å; E291-S295 PolarHBondContact O-OG 3.02Å; F292-S295 PolarHBondContact O-N 3.26Å; T293-S295 VanDerWaalsContact C-N 3.31Å; T293-S295 PolarHBondContact O-N 3.25Å; S295-K299 WeakPolarHBondContact O-CB 3.49Å; S295-K299 PolarHBondContact O-N 3.37Å
296A98.5Very high97.7Very high0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-65.4-41.117700000111.3F252 V256 I269 F292 T293 K299 L300F252-A296 HydrophobicContact CE2-CB 4.42Å; V256-A296 HydrophobicContact CG1-CB 4.23Å; I269-A296 HydrophobicContact CD1-CB 4.46Å; I269-A296 HydrophobicContact CG1-CB 4.06Å; F292-A296 HydrophobicContact CE1-CB 4.23Å; F292-A296 HydrophobicContact CZ-CB 4.44Å; F292-A296 WeakPolarHBondContact O-CB 3.36Å; F292-A296 PolarHBondContact O-N 3.02Å; T293-A296 PolarHBondContact O-N 3.44Å; A296-K299 PolarHBondContact O-N 2.87Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 2.96Å; A296-L300 PolarHBondContact O-N 2.88Å
297E98.6Very high96.8Very high43 Ų4358.8 Ų58.820%0.20131%0.311CS..Hα-helixtrans-59.3-52.3175-173-178.5177.400112L272 T293 D294 K299 L300 K301 L306L272-E297 HydrophobicContact CD1-CB 4.11Å; L272-E297 HydrophobicContact CD1-CG 3.89Å; L272-E297 HydrophobicContact CD2-CB 3.56Å; L272-E297 HydrophobicContact CD2-CG 4.03Å; L272-E297 HydrophobicContact CG-CB 4.44Å; L272-E297 HydrophobicContact CG-CG 4.47Å; T293-E297 PolarHBondContact O-N 2.91Å; D294-E297 PolarHBondContact O-N 3.01Å; E297-K299 PolarHBondContact O-N 3.25Å; E297-L300 PolarHBondContact O-N 3.02Å; E297-K301 HydrophobicContact CG-CD 4.35Å; E297-K301 WeakPolarHBondContact O-CG 3.34Å; E297-K301 PolarHBondContact O-N 3.17Å; E297-K301 VanDerWaalsContact OE1-CE 3.23Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 3.83Å; E297-K301 PolarHBondContact OE1-NZ 3.47Å; E297-L306 HydrophobicContact CG-CD2 4.1Å
298A98.4Very high95Very high62 Ų6260.3 Ų60.351%0.51232%0.318SS..Hα-helixtrans-57.4-39.7177.800000111.1D294 S302D294-A298 PolarHBondContact O-N 3.42Å; A298-S302 WeakPolarHBondContact O-CB 3.46Å; A298-S302 PolarHBondContact O-N 3.2Å
299K98.6Very high92.7Very high53 Ų5365.1 Ų65.123%0.2335%0.346CS..Hα-helixtrans-68.2-43.1178.3-169.266.8-174.11590112.7R251 F252 F255 S295 A296 E297 S302 L303R251-K299 WeakPolarHBondContact O-CE 3.23Å; F252-K299 HydrophobicContact CD2-CB 4.24Å; F252-K299 HydrophobicContact CD2-CG 3.91Å; F252-K299 HydrophobicContact CE2-CB 4.49Å; F255-K299 HydrophobicContact CB-CD 4.17Å; F255-K299 HydrophobicContact CB-CG 4.04Å; F255-K299 HydrophobicContact CD1-CB 3.71Å; F255-K299 HydrophobicContact CD1-CD 4.11Å; F255-K299 HydrophobicContact CD1-CG 3.59Å; F255-K299 HydrophobicContact CD2-CD 3.95Å; F255-K299 HydrophobicContact CD2-CG 4.35Å; F255-K299 HydrophobicContact CE1-CB 3.72Å; F255-K299 HydrophobicContact CE1-CG 4.1Å; F255-K299 HydrophobicContact CE2-CD 4.35Å; F255-K299 HydrophobicContact CG-CB 4.3Å; F255-K299 HydrophobicContact CG-CD 3.8Å; F255-K299 HydrophobicContact CG-CG 3.73Å; F255-K299 HydrophobicContact CZ-CB 4.31Å; S295-K299 WeakPolarHBondContact O-CB 3.49Å; S295-K299 PolarHBondContact O-N 3.37Å; A296-K299 PolarHBondContact O-N 2.87Å; E297-K299 PolarHBondContact O-N 3.25Å; K299-S302 PolarHBondContact O-N 2.63Å; K299-S302 PolarHBondContact O-OG 2.66Å; K299-L303 HydrophobicContact CG-CD1 4.28Å; K299-L303 PolarHBondContact O-N 3.05Å
300L98.4Very high90.4Very high1 Ų167.5 Ų67.51%0.00535%0.354CS..Hα-helixtrans-59.9-45.9176.3-73.6162.6000111.4L223 F252 I269 L272 V273 A296 E297 S302 L303 D304 F305 L306L223-L300 HydrophobicContact CD2-CD2 4.34Å; F252-L300 HydrophobicContact CD1-CD2 4.36Å; F252-L300 HydrophobicContact CD2-CD2 3.8Å; F252-L300 HydrophobicContact CD2-CG 3.97Å; F252-L300 HydrophobicContact CE1-CD2 4.16Å; F252-L300 HydrophobicContact CE2-CD1 4.15Å; F252-L300 HydrophobicContact CE2-CD2 3.58Å; F252-L300 HydrophobicContact CE2-CG 3.47Å; F252-L300 VanDerWaalsContact CE2-CG 3.47Å; F252-L300 HydrophobicContact CG-CD2 4.19Å; F252-L300 HydrophobicContact CZ-CD1 4.23Å; F252-L300 HydrophobicContact CZ-CD2 3.75Å; F252-L300 HydrophobicContact CZ-CG 3.92Å; I269-L300 HydrophobicContact CG2-CD1 4.3Å; L272-L300 HydrophobicContact CD2-CD1 4.01Å; V273-L300 HydrophobicContact CG2-CD1 3.55Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 2.96Å; A296-L300 PolarHBondContact O-N 2.88Å; E297-L300 PolarHBondContact O-N 3.02Å; L300-S302 PolarHBondContact O-N 3Å; L300-L303 CarbonylContact O-C 3.56Å; L300-L303 PolarHBondContact O-N 3.06Å; L300-D304 PolarHBondContact O-N 2.89Å; L300-F305 HydrophobicContact CB-CB 4.37Å; L300-F305 HydrophobicContact CD2-CB 3.73Å; L300-F305 HydrophobicContact CD2-CD2 4.04Å; L300-F305 HydrophobicContact CD2-CG 4.42Å; L300-F305 PolarHBondContact O-N 3.41Å; L300-L306 HydrophobicContact CB-CB 3.97Å
301K97.6Very high87.9Confident33 Ų3364.3 Ų64.314%0.14335%0.351CS..Hα-helixtrans-61.4-42.7175.5-70.6178.9-177.8171.80111.9E297 L303 D304 L306 F308E297-K301 HydrophobicContact CG-CD 4.35Å; E297-K301 WeakPolarHBondContact O-CG 3.34Å; E297-K301 PolarHBondContact O-N 3.17Å; E297-K301 VanDerWaalsContact OE1-CE 3.23Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 3.83Å; E297-K301 PolarHBondContact OE1-NZ 3.47Å; K301-L303 PolarHBondContact O-N 3.1Å; K301-L303 VanDerWaalsContact O-N 3.1Å; K301-D304 PolarHBondContact O-N 2.52Å; K301-D304 VanDerWaalsContact O-N 3.12Å; K301-L306 HydrophobicContact CG-CB 4.3Å; K301-L306 HydrophobicContact CG-CD2 4.44Å; K301-F308 HydrophobicContact CB-CE1 4.27Å; K301-F308 HydrophobicContact CB-CE2 4.19Å; K301-F308 HydrophobicContact CB-CZ 3.91Å; K301-F308 HydrophobicContact CD-CD1 4.16Å; K301-F308 HydrophobicContact CD-CE1 4.07Å
302S98.1Very high85.1Confident72 Ų7266.8 Ų66.850%0.50336%0.359SS..Hα-helixtrans-63.9-15.117878.50000114.8A298 K299 L300A298-S302 WeakPolarHBondContact O-CB 3.46Å; A298-S302 PolarHBondContact O-N 3.2Å; K299-S302 PolarHBondContact O-N 2.63Å; K299-S302 PolarHBondContact O-OG 2.66Å; L300-S302 PolarHBondContact O-N 3Å
303L97.4Very high82.3Confident25 Ų2573.6 Ų73.613%0.13140%0.396CS..THydrogen-bonded Turntrans-112.59.5-179.9-66.5172.7000112.3R251 F252 K299 L300 K301 F305R251-L303 HydrophobicContact CB-CD1 4.12Å; R251-L303 HydrophobicContact CB-CD2 4.19Å; F252-L303 HydrophobicContact CB-CD1 3.7Å; K299-L303 HydrophobicContact CG-CD1 4.28Å; K299-L303 PolarHBondContact O-N 3.05Å; L300-L303 CarbonylContact O-C 3.56Å; L300-L303 PolarHBondContact O-N 3.06Å; K301-L303 PolarHBondContact O-N 3.1Å; K301-L303 VanDerWaalsContact O-N 3.1Å; L303-F305 HydrophobicContact CB-CD1 4.41Å; L303-F305 HydrophobicContact CB-CD2 4.09Å; L303-F305 HydrophobicContact CB-CE1 4.49Å; L303-F305 HydrophobicContact CB-CE2 4.21Å; L303-F305 HydrophobicContact CB-CG 4.21Å; L303-F305 HydrophobicContact CB-CZ 4.42Å; L303-F305 HydrophobicContact CD1-CD2 4.42Å; L303-F305 HydrophobicContact CD1-CE2 4.16Å; L303-F305 VanDerWaalsContact O-CD1 3.27Å; L303-F305 WeakPolarHBondContact O-CD1 3.33Å; L303-F305 PolarHBondContact O-N 3.05Å
304D96.1Very high79.5Confident142 Ų14275.7 Ų75.776%0.75942%0.424SS*.THydrogen-bonded Turntrans55.530.5-176.3-54.8-50.3000113.6L300 K301L300-D304 PolarHBondContact O-N 2.89Å; K301-D304 PolarHBondContact O-N 2.52Å; K301-D304 VanDerWaalsContact O-N 3.12Å
305F94.8Very high76.4Confident31 Ų3176.4 Ų76.414%0.13644%0.435CS..SBendtrans-89.4-14.4174-66.5-12000112.7L223 K226 C248 I249 F252 L300 L303L223-F305 HydrophobicContact CD1-CE2 4.45Å; L223-F305 HydrophobicContact CD2-CB 4.06Å; L223-F305 HydrophobicContact CD2-CD2 3.54Å; L223-F305 HydrophobicContact CD2-CE2 4.09Å; L223-F305 HydrophobicContact CD2-CG 3.85Å; K226-F305 HydrophobicContact CB-CE1 4.44Å; K226-F305 HydrophobicContact CD-CD1 4.14Å; K226-F305 HydrophobicContact CD-CE1 3.53Å; K226-F305 HydrophobicContact CD-CZ 4.35Å; K226-F305 HydrophobicContact CG-CD1 4.27Å; K226-F305 HydrophobicContact CG-CE1 3.57Å; K226-F305 HydrophobicContact CG-CZ 3.96Å; C248-F305 HydrophobicContact CB-CE1 4.28Å; C248-F305 HydrophobicContact CB-CZ 3.8Å; I249-F305 HydrophobicContact CG1-CZ 4.33Å; F252-F305 HydrophobicContact CB-CD2 4.34Å; F252-F305 HydrophobicContact CB-CE2 4.06Å; L300-F305 HydrophobicContact CB-CB 4.37Å; L300-F305 HydrophobicContact CD2-CB 3.73Å; L300-F305 HydrophobicContact CD2-CD2 4.04Å; L300-F305 HydrophobicContact CD2-CG 4.42Å; L300-F305 PolarHBondContact O-N 3.41Å; L303-F305 HydrophobicContact CB-CD1 4.41Å; L303-F305 HydrophobicContact CB-CD2 4.09Å; L303-F305 HydrophobicContact CB-CE1 4.49Å; L303-F305 HydrophobicContact CB-CE2 4.21Å; L303-F305 HydrophobicContact CB-CG 4.21Å; L303-F305 HydrophobicContact CB-CZ 4.42Å; L303-F305 HydrophobicContact CD1-CD2 4.42Å; L303-F305 HydrophobicContact CD1-CE2 4.16Å; L303-F305 VanDerWaalsContact O-CD1 3.27Å; L303-F305 WeakPolarHBondContact O-CD1 3.33Å; L303-F305 PolarHBondContact O-N 3.05Å
306L90.8Very high73.7Confident22 Ų2282.9 Ų82.912%0.11547%0.466CS..SBendtrans-139134.2174.9-17365.7000108.4L272 V273 E297 L300 K301L272-L306 HydrophobicContact CG-CD2 4.41Å; V273-L306 HydrophobicContact CG1-CD1 4.4Å; E297-L306 HydrophobicContact CG-CD2 4.1Å; L300-L306 HydrophobicContact CB-CB 3.97Å; K301-L306 HydrophobicContact CG-CB 4.3Å; K301-L306 HydrophobicContact CG-CD2 4.44Å
307S79.3Confident70.5Confident53 Ų5391 Ų9137%0.37150%0.504SS..  trans-70.9151.7-179.8-171.50000111.5T309 D310S307-T309 PolarHBondContact O-N 2.75Å; S307-T309 PolarHBondContact OG-N 3.44Å; S307-T309 PolarHBondContact OG-OG1 3.13Å; S307-D310 VanDerWaalsContact CB-OD2 3.3Å; S307-D310 WeakPolarHBondContact CB-OD2 3.48Å
308F61.7Low67.6Low147 Ų14793.8 Ų93.865%0.64553%0.534SS*.THydrogen-bonded Turntrans-70.9-15.3168.6-78.2-87.4000113.1K301K301-F308 HydrophobicContact CB-CE1 4.27Å; K301-F308 HydrophobicContact CB-CE2 4.19Å; K301-F308 HydrophobicContact CB-CZ 3.91Å; K301-F308 HydrophobicContact CD-CD1 4.16Å; K301-F308 HydrophobicContact CD-CE1 4.07Å
309T50.3Low64.6Low116 Ų11695.3 Ų95.371%0.71254%0.541SS*.THydrogen-bonded Turntrans-97.7-2.8-171.953.70000115.8S307 L311S307-T309 PolarHBondContact O-N 2.75Å; S307-T309 PolarHBondContact OG-N 3.44Å; S307-T309 PolarHBondContact OG-OG1 3.13Å; T309-L311 VanDerWaalsContact C-N 3.27Å; T309-L311 PolarHBondContact O-N 3.32Å
310D48.6Very low61.8Low115 Ų115102 Ų10262%0.61560%0.595SS**  trans-85.315.4-170.5-67.9-30000115.1S307 K312S307-D310 VanDerWaalsContact CB-OD2 3.3Å; S307-D310 WeakPolarHBondContact CB-OD2 3.48Å; D310-K312 PolarHBondContact O-N 3.35Å
311L46.6Very low60Low131 Ų131107.1 Ų107.169%0.68662%0.624SS**  trans-85.897.8171.5-70.7166.5000109.5T309 D313T309-L311 VanDerWaalsContact C-N 3.27Å; T309-L311 PolarHBondContact O-N 3.32Å; L311-D313 PolarHBondContact O-N 3.07Å
312K40.4Very low58Low203 Ų203110.9 Ų110.988%0.88365%0.649SS**  trans-67.3125150.9-85.3-175176.2-179.60107.5D310 G314D310-K312 PolarHBondContact O-N 3.35Å; K312-G314 PolarHBondContact O-N 3.09Å
313D39.3Very low55.8Low152 Ų152113.1 Ų113.181%0.81366%0.658SS**  trans-40.9109.9175.4-74.5-46.8000112.1L311 S315L311-D313 PolarHBondContact O-N 3.07Å; D313-S315 PolarHBondContact O-N 3.49Å
314G38.3Very low53.3Low77 Ų77118.3 Ų118.379%0.79469%0.689SS**  trans-76.269.4156.100000108.6K312 L316K312-G314 PolarHBondContact O-N 3.09Å; G314-L316 PolarHBondContact O-N 2.97Å; G314-L316 VanDerWaalsContact O-N 3.09Å
315S34.8Very low50.6Low91 Ų91116.8 Ų116.864%0.63668%0.684SS**  trans-70.8102166.555.30000108D313 E317D313-S315 PolarHBondContact O-N 3.49Å; S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 PolarHBondContact O-N 3.1Å
316L41Very low47.7Very low171 Ų171122.5 Ų122.590%0.89572%0.721SS**  trans-50.895.7153-79144.9000108.5G314 A318G314-L316 PolarHBondContact O-N 2.97Å; G314-L316 VanDerWaalsContact O-N 3.09Å; L316-A318 VanDerWaalsContact C-N 3.27Å; L316-A318 PolarHBondContact O-N 2.94Å; L316-A318 VanDerWaalsContact O-N 3.1Å
317E31.8Very low44.6Very low172 Ų172129.7 Ų129.780%0.80476%0.764SS**  trans-74.692.1156.2-79-169.6160.700107.5S315S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 PolarHBondContact O-N 3.1Å
318A38.2Very low42Very low101 Ų101135.6 Ų135.684%0.83579%0.794SS**  trans-73.3111.9148.600000107.1L316L316-A318 VanDerWaalsContact C-N 3.27Å; L316-A318 PolarHBondContact O-N 2.94Å; L316-A318 VanDerWaalsContact O-N 3.1Å
319S35.6Very low40.3Very low93 Ų93134.7 Ų134.765%0.6581%0.807SS**  trans-136.6106.8164.557.20000109.6
320S38.7Very low39.4Very low194 Ų194136.4 Ų136.4100%1.35782%0.815SS**  trans44.60147.263.40000119.6

Retrieved 320 of 320 residues in 72.3 ms (Link to these results)

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