A0A096NDC5_PAPAN Loading...

Isoaspartyl peptidase/L-asparaginase

Has both L-asparaginase and beta-aspartyl peptidase activity. May be involved in the production of L-aspartate, which can act as an excitatory neurotransmitter in some brain regions. Is highly active with L-Asp beta-methyl ester. Besides, has catalytic activity toward beta-aspartyl dipeptides and their methyl esters, including beta-L-Asp-L-Phe, beta-L-Asp-L-Phe methyl ester (aspartame), beta-L-Asp-L-Ala, beta-L-Asp-L-Leu and beta-L-Asp-L-Lys. Does not have aspartylglucosaminidase activity and is inactive toward GlcNAc-L-Asn. Likewise, has no activity toward glutamine.

AlphaFold DB , UniProt , Accession A0A096NDC5, Species PAPAN (Papio anubis, Olive baboon), Gene ASRGL1, Length 308 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.2Confident95.5Very high103 Ų10321.9 Ų21.951%0.50712%0.121SC..  0147.70-68.9-62.3-78.700108.5P3 L174 A176 K270 T271M1-P3 WeakPolarHBondContact O-CD 3.3Å; M1-L174 HydrophobicContact CB-CD2 4.16Å; M1-L174 HydrophobicContact CB-CG 4.43Å; M1-L174 HydrophobicContact CE-CD2 3.84Å; M1-L174 HydrophobicContact CG-CD2 4.47Å; M1-A176 PolarHBondContact N-O 3.05Å; M1-K270 WeakPolarHBondContact CE-O 3.5Å; M1-T271 VanDerWaalsContact CE-O 3.26Å; M1-T271 WeakPolarHBondContact CE-O 3.38Å
2N95.3Very high94.8Very high101 Ų10121.5 Ų21.554%0.5412%0.123SC..  trans-71.6120.3170.2-71.910.9000107.6D290N2-D290 PolarHBondContact ND2-OD1 2.76Å
3P98.1Very high94.1Very high26 Ų2620.5 Ų20.517%0.16912%0.12CC..  trans-63.3151.3-176-20.932.3000111.9M1 L38 L174 A176M1-P3 WeakPolarHBondContact O-CD 3.3Å; P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.95Å; P3-L38 HydrophobicContact CB-CG 4.27Å; P3-L38 HydrophobicContact CG-CB 4.45Å; P3-L174 VanDerWaalsContact CA-O 3.23Å; P3-L174 WeakPolarHBondContact CA-O 3.42Å; P3-A176 HydrophobicContact CG-CB 4.16Å
4I98.8Very high93.4Very high0 Ų026.5 Ų26.50%016%0.16CC..EExtended strand (participates in β ladder)trans-144.1142.7173172.3164.8000109.4V6 L38 A173 L174 V268 W274 A288 K289I4-V6 HydrophobicContact CD1-CG2 3.87Å; I4-V6 HydrophobicContact CG1-CG2 4.01Å; I4-L38 WeakPolarHBondContact O-CD1 3.26Å; I4-A173 CarbonylContact O-C 3.54Å; I4-A173 WeakPolarHBondContact O-CA 3.43Å; I4-L174 HydrophobicContact CG2-CB 3.74Å; I4-L174 HydrophobicContact CG2-CD2 4.38Å; I4-L174 PolarHBondContact N-O 2.91Å; I4-L174 PolarHBondContact O-N 2.91Å; I4-V268 HydrophobicContact CG2-CG2 3.59Å; I4-W274 HydrophobicContact CD1-CB 3.63Å; I4-W274 HydrophobicContact CD1-CD2 3.84Å; I4-W274 HydrophobicContact CD1-CG 3.19Å; I4-A288 WeakPolarHBondContact CA-O 3.45Å; I4-K289 HydrophobicContact CB-CB 4.11Å; I4-K289 HydrophobicContact CB-CD 4.11Å; I4-K289 HydrophobicContact CB-CG 4.06Å; I4-K289 HydrophobicContact CD1-CB 4.08Å; I4-K289 HydrophobicContact CD1-CD 3.93Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.14Å; I4-K289 HydrophobicContact CG1-CD 4.47Å
5V98.9Very high93Very high0 Ų026.2 Ų26.20%016%0.157CC..EExtended strand (participates in β ladder)trans-123.9138.1162.863.10000108.9V7 A31 Y35 L38 V172 A173 A287 A288V5-V7 HydrophobicContact CG2-CG1 4.09Å; V5-A31 WeakPolarHBondContact CG1-O 3.4Å; V5-Y35 HydrophobicContact CG1-CD2 4.33Å; V5-L38 HydrophobicContact CB-CD1 4.03Å; V5-V172 WeakPolarHBondContact CA-O 3.38Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.41Å; V5-A287 CarbonylContact O-C 3.52Å; V5-A287 VanDerWaalsContact O-CA 3.32Å; V5-A287 WeakPolarHBondContact O-CA 3.45Å; V5-A288 HydrophobicContact CG1-CB 3.94Å; V5-A288 PolarHBondContact N-O 3.43Å; V5-A288 PolarHBondContact O-N 3.08Å
6V98.9Very high92.6Very high0 Ų028.8 Ų28.80%018%0.177CC..EExtended strand (participates in β ladder)trans-121.1137.9169.7-168.30000107.2I4 A171 V172 I266 W274 A286 A287I4-V6 HydrophobicContact CD1-CG2 3.87Å; I4-V6 HydrophobicContact CG1-CG2 4.01Å; V6-A171 CarbonylContact O-C 3.56Å; V6-A171 VanDerWaalsContact O-CA 3.22Å; V6-A171 WeakPolarHBondContact O-CA 3.2Å; V6-V172 HydrophobicContact CB-CG2 3.87Å; V6-V172 HydrophobicContact CG2-CG2 4.29Å; V6-V172 PolarHBondContact N-O 3.38Å; V6-V172 PolarHBondContact O-N 3.44Å; V6-I266 HydrophobicContact CB-CB 4.36Å; V6-I266 HydrophobicContact CB-CD1 4.09Å; V6-I266 HydrophobicContact CG1-CB 3.77Å; V6-I266 HydrophobicContact CG1-CD1 4.04Å; V6-I266 HydrophobicContact CG1-CG1 4.49Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 WeakPolarHBondContact O-CD1 3.28Å; V6-W274 HydrophobicContact CG2-CB 4.06Å; V6-W274 HydrophobicContact CG2-CD2 4.33Å; V6-W274 HydrophobicContact CG2-CE3 4.15Å; V6-W274 HydrophobicContact CG2-CG 4.33Å; V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.24Å; V6-A286 WeakPolarHBondContact CG1-O 3.43Å; V6-A287 HydrophobicContact CB-CB 4.45Å; V6-A287 HydrophobicContact CG1-CB 4.18Å; V6-A287 HydrophobicContact CG2-CB 3.98Å
7V98.9Very high92.2Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-128.6151.3179.8-56.70000110.2V5 I27 A30 A31 A51 G170 A171 W285 A286V5-V7 HydrophobicContact CG2-CG1 4.09Å; V7-I27 HydrophobicContact CG2-CD1 4.2Å; V7-I27 HydrophobicContact CG2-CG2 4.09Å; V7-A30 HydrophobicContact CG1-CB 4.4Å; V7-A30 HydrophobicContact CG2-CB 4.43Å; V7-A31 HydrophobicContact CG2-CB 3.97Å; V7-A51 HydrophobicContact CG1-CB 3.84Å; V7-G170 CarbonylContact C-O 3.51Å; V7-G170 VanDerWaalsContact CA-O 3.31Å; V7-G170 WeakPolarHBondContact CA-O 3.33Å; V7-A171 HydrophobicContact CG1-CB 3.98Å; V7-W285 VanDerWaalsContact O-CA 3.25Å; V7-W285 WeakPolarHBondContact O-CA 3.45Å; V7-A286 HydrophobicContact CG2-CB 3.93Å; V7-A286 PolarHBondContact N-O 3.29Å; V7-A286 PolarHBondContact O-N 3.39Å
8H98.7Very high91.7Very high0 Ų042.8 Ų42.80%024%0.239CC..EExtended strand (participates in β ladder)trans-135.1151.2173.874.386.2000112.4T168 V169 G170 S217 T218 I266 M283 P284H8-T168 PolarHBondContact ND1-O 3.08Å; H8-V169 VanDerWaalsContact CE1-C 3.47Å; H8-V169 WeakPolarHBondContact O-CA 3.34Å; H8-G170 PolarHBondContact CD2-O 2.97Å; H8-G170 PolarHBondContact CE1-N 3.22Å; H8-G170 PolarHBondContact N-O 3.29Å; H8-G170 VanDerWaalsContact NE2-CA 3.33Å; H8-G170 WeakPolarHBondContact NE2-CA 3.49Å; H8-G170 PolarHBondContact NE2-N 3.17Å; H8-G170 PolarHBondContact O-N 3.11Å; H8-G170 VanDerWaalsContact O-N 3.11Å; H8-S217 PolarHBondContact NE2-OG 3.01Å; H8-T218 PolarHBondContact CE1-O 3.11Å; H8-I266 HydrophobicContact CB-CD1 4.35Å; H8-I266 HydrophobicContact CB-CG2 3.91Å; H8-M283 HydrophobicContact CB-SD 4.47Å; H8-P284 CarbonylContact C-O 3.53Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å
9G96.6Very high91.5Very high0 Ų042.6 Ų42.60%023%0.234CC..  trans-98.9-151.5157.400000110.1G11 T168 P284G9-G11 PolarHBondContact O-N 2.99Å; G9-T168 CarbonylContact C-O 3.03Å; G9-T168 VanDerWaalsContact O-O 3.05Å; G9-P284 PolarHBondContact N-O 3.15Å
10G91.4Very high91.5Very high5 Ų543.4 Ų43.45%0.05224%0.235CC..  trans-72124.4-175.300000117.5A12 T168 M283 P284G10-A12 PolarHBondContact O-N 3.05Å; G10-A12 VanDerWaalsContact O-N 3.11Å; G10-T168 PolarHBondContact N-O 3.33Å; G10-M283 WeakPolarHBondContact O-CA 3.33Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.21Å
11G86.4Confident91.5Very high6 Ų646.3 Ų46.36%0.06225%0.247CC..  trans-74.187158.700000111G9 T219 S280 S282G9-G11 PolarHBondContact O-N 2.99Å; G11-T219 PolarHBondContact N-OG1 2.77Å; G11-S280 VanDerWaalsContact C-OG 3.23Å; G11-S280 WeakPolarHBondContact CA-OG 3.27Å; G11-S282 WeakPolarHBondContact CA-O 3.26Å
12A87.4Confident91.7Very high17 Ų1746.5 Ų46.514%0.1424%0.242CC..BIsolated β-bridgetrans-142.5-166.2-166.900000112.9G10 N165 S280 T281 S282G10-A12 PolarHBondContact O-N 3.05Å; G10-A12 VanDerWaalsContact O-N 3.11Å; A12-N165 WeakPolarHBondContact CB-O 3.47Å; A12-S280 PolarHBondContact N-OG 3.32Å; A12-S280 WeakPolarHBondContact O-CB 3.24Å; A12-T281 PolarHBondContact O-N 3.36Å; A12-T281 VanDerWaalsContact O-N 3.09Å; A12-S282 PolarHBondContact N-O 3.08Å; A12-S282 PolarHBondContact O-N 3.35Å
13G85.1Confident91.6Very high9 Ų942.2 Ų42.29%0.09322%0.219CC..SBendtrans-68.5-177.5172.500000114.2E163G13-E163 WeakPolarHBondContact CA-O 3.39Å; G13-E163 PolarHBondContact N-O 3.41Å
14P85Confident91.3Very high104 Ų10443.2 Ų43.268%0.67522%0.221SC*.  trans-65.1146.6-171.926.3-34.6000113.2T281P14-T281 HydrophobicContact CB-CG2 4.2Å
15I86.8Confident91.1Very high22 Ų2247.2 Ų47.211%0.11324%0.24CC..  trans-104.9129.2178.9-62.3160.9000109.8R19 K20 M23 P284 I297I15-R19 HydrophobicContact CG2-CB 3.65Å; I15-K20 HydrophobicContact CB-CG 4.14Å; I15-K20 HydrophobicContact CG2-CG 3.74Å; I15-K20 WeakPolarHBondContact O-CE 3.48Å; I15-M23 HydrophobicContact CD1-CE 4.3Å; I15-M23 HydrophobicContact CD1-SD 3.63Å; I15-M23 HydrophobicContact CG1-SD 4.1Å; I15-M23 HydrophobicContact CG2-SD 3.89Å; I15-P284 HydrophobicContact CD1-CG 3.57Å; I15-I297 HydrophobicContact CD1-CG2 3.61Å
16S86.6Confident91Very high68 Ų6847.2 Ų47.248%0.47624%0.24SC..  trans-62.9149.3176.964.60000111.7D18 R19 K20S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 2.73Å; S16-R19 PolarHBondContact O-N 3.01Å; S16-K20 PolarHBondContact O-N 3.27Å
17K85.6Confident90.9Very high185 Ų18547.4 Ų47.480%0.80424%0.241SC*.Hα-helixtrans-50-47.4-178.8-69.8-171.8178.4-176.40112.6R19 K20K17-R19 PolarHBondContact O-N 2.86Å; K17-K20 PolarHBondContact O-N 3.4Å; K17-K20 VanDerWaalsContact O-N 3.15Å
18D84.3Confident90.8Very high125 Ų12549 Ų4967%0.66825%0.251SS*.Hα-helixtrans-62.8-28.9-179.4-55.8-22.8000113.3S16 R22S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 2.73Å; D18-R22 PolarHBondContact O-NH1 3.4Å
19R88.4Confident90.7Very high38 Ų3854.6 Ų54.614%0.14327%0.272CS..Hα-helixtrans-84-29.6177.4-75.1-167.570.4-122.5-5.6112.5I15 S16 K17 E21 R22 M23 E60I15-R19 HydrophobicContact CG2-CB 3.65Å; S16-R19 PolarHBondContact O-N 3.01Å; K17-R19 PolarHBondContact O-N 2.86Å; R19-E21 VanDerWaalsContact C-N 3.3Å; R19-E21 PolarHBondContact O-N 3.38Å; R19-R22 PolarHBondContact O-N 3.02Å; R19-M23 WeakPolarHBondContact O-CG 3.44Å; R19-M23 PolarHBondContact O-N 3Å; R19-E60 IonicContact CZ-OE2 3.17Å; R19-E60 IonicContact NE-OE2 3.53Å; R19-E60 PolarHBondContact NE-OE2 2.92Å; R19-E60 PolarHBondContact NH2-O 2.9Å; R19-E60 VanDerWaalsContact NH2-O 3.12Å; R19-E60 IonicContact NH2-OE2 3.06Å; R19-E60 PolarHBondContact NH2-OE2 2.88Å; R19-E60 VanDerWaalsContact NH2-OE2 3.17Å
20K90.4Very high90.8Very high59 Ų5954.6 Ų54.626%0.25727%0.272SS..Hα-helixtrans-55.9-45.4-179.4-74-169.6173.9-167.90111.9I15 S16 K17 R22 M23 H24 I297 D298I15-K20 HydrophobicContact CB-CG 4.14Å; I15-K20 HydrophobicContact CG2-CG 3.74Å; I15-K20 WeakPolarHBondContact O-CE 3.48Å; S16-K20 PolarHBondContact O-N 3.27Å; K17-K20 PolarHBondContact O-N 3.4Å; K17-K20 VanDerWaalsContact O-N 3.15Å; K20-R22 PolarHBondContact O-N 3.45Å; K20-M23 PolarHBondContact O-N 2.99Å; K20-H24 VanDerWaalsContact O-CB 3.22Å; K20-H24 WeakPolarHBondContact O-CB 3.22Å; K20-H24 PolarHBondContact O-N 3.12Å; K20-I297 HydrophobicContact CB-CD1 3.98Å; K20-I297 HydrophobicContact CG-CD1 4.02Å; K20-D298 IonicContact NZ-OD2 2.56Å; K20-D298 PolarHBondContact NZ-OD2 3.03Å
21E91.1Very high91.2Very high104 Ų10454.3 Ų54.349%0.48627%0.269SS..Hα-helixtrans-62.1-44.5179.3-177.754.2-142.900112.2R19 H24 Q25R19-E21 VanDerWaalsContact C-N 3.3Å; R19-E21 PolarHBondContact O-N 3.38Å; E21-H24 WeakPolarHBondContact O-CB 3.38Å; E21-H24 PolarHBondContact O-N 2.94Å; E21-H24 IonicContact OE1-ND1 3.98Å; E21-Q25 VanDerWaalsContact O-CG 3.31Å; E21-Q25 WeakPolarHBondContact O-CG 3.41Å; E21-Q25 PolarHBondContact O-N 3.21Å; E21-Q25 PolarHBondContact OE1-NE2 3.26Å
22R93.3Very high91.7Very high107 Ų10756.7 Ų56.740%0.40428%0.283SS..Hα-helixtrans-68.2-39.7178.6-64.9-167.8-68.2-75.7-1.2112.4D18 R19 K20 H24 Q25 G26 E60D18-R22 PolarHBondContact O-NH1 3.4Å; R19-R22 PolarHBondContact O-N 3.02Å; K20-R22 PolarHBondContact O-N 3.45Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-Q25 PolarHBondContact O-N 3.16Å; R22-G26 PolarHBondContact O-N 2.9Å; R22-E60 HydrophobicContact CB-CG 3.93Å; R22-E60 IonicContact CZ-OE1 3.43Å; R22-E60 IonicContact NE-OE1 3.45Å; R22-E60 PolarHBondContact NE-OE1 2.99Å; R22-E60 IonicContact NH2-OE1 2.76Å; R22-E60 PolarHBondContact NH2-OE1 3.3Å
23M91.9Very high92.3Very high11 Ų1159 Ų595%0.05430%0.295CS..Hα-helixtrans-66.2-38.6175.6-68.7-167.582.300111.6I15 R19 K20 G26 I27 F61 P284I15-M23 HydrophobicContact CD1-CE 4.3Å; I15-M23 HydrophobicContact CD1-SD 3.63Å; I15-M23 HydrophobicContact CG1-SD 4.1Å; I15-M23 HydrophobicContact CG2-SD 3.89Å; R19-M23 WeakPolarHBondContact O-CG 3.44Å; R19-M23 PolarHBondContact O-N 3Å; K20-M23 PolarHBondContact O-N 2.99Å; M23-G26 PolarHBondContact O-N 2.82Å; M23-I27 WeakPolarHBondContact O-CB 3.46Å; M23-I27 WeakPolarHBondContact O-CG1 3.35Å; M23-I27 PolarHBondContact O-N 3.15Å; M23-F61 HydrophobicContact CE-CD1 4.28Å; M23-F61 HydrophobicContact CE-CE1 3.99Å; M23-P284 HydrophobicContact CE-CB 4.36Å; M23-P284 HydrophobicContact CE-CG 3.59Å; M23-P284 HydrophobicContact SD-CG 4.25Å
24H92.1Very high92.9Very high47 Ų4758.5 Ų58.522%0.21829%0.29CS..Hα-helixtrans-57.3-52.3172.9168.1-112000110.7K20 E21 R22 G26 I27 V28 F295K20-H24 VanDerWaalsContact O-CB 3.22Å; K20-H24 WeakPolarHBondContact O-CB 3.22Å; K20-H24 PolarHBondContact O-N 3.12Å; E21-H24 WeakPolarHBondContact O-CB 3.38Å; E21-H24 PolarHBondContact O-N 2.94Å; E21-H24 IonicContact OE1-ND1 3.98Å; R22-H24 VanDerWaalsContact C-N 3.34Å; H24-G26 VanDerWaalsContact C-N 3.31Å; H24-G26 PolarHBondContact O-N 3.19Å; H24-I27 PolarHBondContact O-N 2.66Å; H24-V28 WeakPolarHBondContact NE2-CG2 3.36Å; H24-V28 WeakPolarHBondContact O-CB 3.43Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.5Å; H24-V28 PolarHBondContact O-N 3.2Å; H24-F295 AromaticContact CD2-CD2 3.23Å; H24-F295 WeakPolarHBondContact CD2-CD2 3.48Å; H24-F295 AromaticContact CD2-CE2 3.34Å; H24-F295 WeakPolarHBondContact CD2-CE2 3.23Å; H24-F295 AromaticContact CD2-CG 3.82Å; H24-F295 AromaticContact NE2-CD1 3.9Å; H24-F295 AromaticContact NE2-CD2 3.33Å; H24-F295 VanDerWaalsContact NE2-CD2 3.33Å; H24-F295 WeakPolarHBondContact NE2-CD2 3.42Å; H24-F295 AromaticContact NE2-CE1 3.68Å; H24-F295 AromaticContact NE2-CE2 3.05Å; H24-F295 WeakPolarHBondContact NE2-CE2 3.05Å; H24-F295 AromaticContact NE2-CG 3.73Å; H24-F295 AromaticContact NE2-CZ 3.23Å; H24-F295 WeakPolarHBondContact NE2-CZ 3.34Å
25Q94.9Very high93.6Very high84 Ų8454.4 Ų54.439%0.39326%0.261SS..Hα-helixtrans-58.7-41.4178.3-67.7170.38.900112.7E21 R22 R29E21-Q25 VanDerWaalsContact O-CG 3.31Å; E21-Q25 WeakPolarHBondContact O-CG 3.41Å; E21-Q25 PolarHBondContact O-N 3.21Å; E21-Q25 PolarHBondContact OE1-NE2 3.26Å; R22-Q25 PolarHBondContact O-N 3.16Å; Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.09Å
26G96.8Very high94.1Very high1 Ų154.6 Ų54.61%0.0127%0.269CS..Hα-helixtrans-66.5-44.4178.100000113.7R22 M23 H24 R29 A30 D58R22-G26 PolarHBondContact O-N 2.9Å; M23-G26 PolarHBondContact O-N 2.82Å; H24-G26 VanDerWaalsContact C-N 3.31Å; H24-G26 PolarHBondContact O-N 3.19Å; G26-R29 PolarHBondContact O-N 3.16Å; G26-A30 PolarHBondContact O-N 3.39Å; G26-D58 WeakPolarHBondContact CA-OD2 3.46Å
27I96.2Very high94.7Very high4 Ų453.5 Ų53.52%0.02126%0.257CS..Hα-helixtrans-64.1-41.9176.9-78.7-64.1000111.5V7 M23 H24 A30 A31 L55 F61 P284 W285 A286V7-I27 HydrophobicContact CG2-CD1 4.2Å; V7-I27 HydrophobicContact CG2-CG2 4.09Å; M23-I27 WeakPolarHBondContact O-CB 3.46Å; M23-I27 WeakPolarHBondContact O-CG1 3.35Å; M23-I27 PolarHBondContact O-N 3.15Å; H24-I27 PolarHBondContact O-N 2.66Å; I27-A30 PolarHBondContact O-N 2.73Å; I27-A31 PolarHBondContact O-N 2.99Å; I27-L55 HydrophobicContact CD1-CD1 4.48Å; I27-L55 HydrophobicContact CD1-CD2 4.3Å; I27-F61 HydrophobicContact CD1-CE1 3.89Å; I27-F61 HydrophobicContact CD1-CZ 4.29Å; I27-F61 HydrophobicContact CG1-CE1 3.84Å; I27-F61 HydrophobicContact CG1-CZ 3.89Å; I27-P284 HydrophobicContact CD1-CB 4.41Å; I27-P284 HydrophobicContact CG1-CB 3.91Å; I27-W285 VanDerWaalsContact CG2-C 3.41Å; I27-W285 WeakPolarHBondContact CG2-O 3.31Å; I27-A286 HydrophobicContact CG2-CB 3.27Å
28V96.9Very high95.3Very high33 Ų3344.9 Ų44.920%0.222%0.22CC..Hα-helixtrans-62.4-44.7174.7165.30000111.3H24 A30 A31 T32 L293 F295H24-V28 WeakPolarHBondContact NE2-CG2 3.36Å; H24-V28 WeakPolarHBondContact O-CB 3.43Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.5Å; H24-V28 PolarHBondContact O-N 3.2Å; V28-A30 PolarHBondContact O-N 3.34Å; V28-A31 PolarHBondContact O-N 2.87Å; V28-T32 VanDerWaalsContact O-CB 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 3.34Å; V28-L293 HydrophobicContact CB-CD2 4.14Å; V28-L293 HydrophobicContact CG1-CD2 3.63Å; V28-L293 HydrophobicContact CG2-CD2 3.84Å; V28-F295 HydrophobicContact CG2-CD1 4.48Å
29R98.3Very high96Very high117 Ų11746 Ų4644%0.44221%0.214SC..Hα-helixtrans-57.7-47.9175.1-79.7-171.6-62.8-92.63.7111.3Q25 G26 T32 V33 D58Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.09Å; G26-R29 PolarHBondContact O-N 3.16Å; R29-T32 PolarHBondContact O-N 2.97Å; R29-V33 WeakPolarHBondContact O-CG2 3.28Å; R29-V33 PolarHBondContact O-N 2.93Å; R29-D58 IonicContact CZ-OD2 2.67Å; R29-D58 IonicContact NH2-OD2 3.58Å; R29-D58 PolarHBondContact NH2-OD2 3.1Å
30A98.6Very high96.4Very high0 Ų052.4 Ų52.40%025%0.246CC..Hα-helixtrans-61.5-47.3-179.100000112.6V7 G26 I27 V28 T32 V33 G34 A51 A54 L55V7-A30 HydrophobicContact CG1-CB 4.4Å; V7-A30 HydrophobicContact CG2-CB 4.43Å; G26-A30 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 2.73Å; V28-A30 PolarHBondContact O-N 3.34Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.06Å; A30-V33 PolarHBondContact O-N 3.24Å; A30-G34 PolarHBondContact O-N 3.45Å; A30-A51 WeakPolarHBondContact CB-O 3.43Å; A30-A51 WeakPolarHBondContact O-CB 3.43Å; A30-A54 HydrophobicContact CB-CB 4.36Å; A30-L55 HydrophobicContact CB-CD1 3.94Å; A30-L55 HydrophobicContact CB-CD2 3.6Å; A30-L55 HydrophobicContact CB-CG 3.56Å
31A98.6Very high96.8Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-61.4-39.717500000112V5 V7 I27 V28 Y35 A286 L293V5-A31 WeakPolarHBondContact CG1-O 3.4Å; V7-A31 HydrophobicContact CG2-CB 3.97Å; I27-A31 PolarHBondContact O-N 2.99Å; V28-A31 PolarHBondContact O-N 2.87Å; A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.45Å; A31-Y35 PolarHBondContact O-N 3.43Å; A31-A286 HydrophobicContact CB-CB 3.87Å; A31-L293 HydrophobicContact CB-CD1 3.7Å
32T98.3Very high97.1Very high56 Ų5648 Ų4834%0.34425%0.246SC..Hα-helixtrans-65.7-43.4178.8-570000111.7V28 R29 A30 Y35 G36 L307V28-T32 VanDerWaalsContact O-CB 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 3.34Å; R29-T32 PolarHBondContact O-N 2.97Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.06Å; T32-Y35 PolarHBondContact O-N 3.25Å; T32-G36 PolarHBondContact O-N 3.14Å; T32-L307 HydrophobicContact CG2-CD2 4.28Å
33V98.7Very high97.4Very high64 Ų6444.7 Ų44.739%0.38824%0.239SC..Hα-helixtrans-61.3-52175.8169.20000110.5R29 A30 Y35 G36 I37 A54R29-V33 WeakPolarHBondContact O-CG2 3.28Å; R29-V33 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 3.24Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3.34Å; V33-G36 PolarHBondContact O-N 3.18Å; V33-I37 HydrophobicContact CG1-CD1 4.42Å; V33-I37 PolarHBondContact O-N 3.11Å; V33-A54 HydrophobicContact CG2-CB 4.4Å
34G98.7Very high97.7Very high0 Ų044.2 Ų44.20%024%0.237CC..Hα-helixtrans-60-43.3179.200000112.5A30 I37 L38 A47A30-G34 PolarHBondContact O-N 3.45Å; G34-I37 PolarHBondContact O-N 2.95Å; G34-L38 WeakPolarHBondContact O-CG 3.43Å; G34-L38 PolarHBondContact O-N 2.8Å; G34-A47 WeakPolarHBondContact CA-O 3.48Å; G34-A47 WeakPolarHBondContact O-CB 3.42Å
35Y98.6Very high98Very high18 Ų1842.2 Ų42.27%0.07123%0.228CC..Hα-helixtrans-71.2-33.1179.7-163.1-113.5000112.7V5 A31 T32 V33 L38 R39 A288 D290 G291 L307V5-Y35 HydrophobicContact CG1-CD2 4.33Å; A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.45Å; A31-Y35 PolarHBondContact O-N 3.43Å; T32-Y35 PolarHBondContact O-N 3.25Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3.34Å; Y35-L38 HydrophobicContact CD2-CD1 4.5Å; Y35-L38 PolarHBondContact O-N 3.07Å; Y35-R39 HydrophobicContact CD1-CG 3.92Å; Y35-R39 HydrophobicContact CE1-CG 3.74Å; Y35-R39 WeakPolarHBondContact O-CG 3.36Å; Y35-R39 PolarHBondContact O-N 3.36Å; Y35-A288 HydrophobicContact CD1-CB 4.18Å; Y35-A288 HydrophobicContact CD2-CB 3.69Å; Y35-A288 WeakPolarHBondContact CD2-O 3.33Å; Y35-A288 HydrophobicContact CE2-CB 4.39Å; Y35-A288 WeakPolarHBondContact CE2-O 3.43Å; Y35-A288 HydrophobicContact CG-CB 3.58Å; Y35-D290 PolarHBondContact OH-N 2.66Å; Y35-G291 PolarHBondContact OH-N 3.09Å; Y35-L307 HydrophobicContact CD1-CD1 4.01Å; Y35-L307 HydrophobicContact CD1-CD2 4.33Å; Y35-L307 HydrophobicContact CE1-CD1 4.24Å
36G98.4Very high98.2Very high26 Ų2640.6 Ų40.627%0.26822%0.222SC..Hα-helixtrans-57.5-48.1172.900000111.7T32 V33 L38 R39 E40T32-G36 PolarHBondContact O-N 3.14Å; V33-G36 PolarHBondContact O-N 3.18Å; G36-L38 VanDerWaalsContact C-N 3.32Å; G36-L38 PolarHBondContact O-N 3.47Å; G36-R39 PolarHBondContact O-N 3.17Å; G36-E40 WeakPolarHBondContact O-CG 3.37Å; G36-E40 PolarHBondContact O-N 2.88Å; G36-E40 VanDerWaalsContact O-N 3.13Å
37I98.8Very high98.3Very high44 Ų4440.5 Ų40.523%0.22622%0.221CC..Hα-helixtrans-57.5-45.6175.4-66.7168.3000111V33 G34 E40 G41 G42 D46 A47V33-I37 HydrophobicContact CG1-CD1 4.42Å; V33-I37 PolarHBondContact O-N 3.11Å; G34-I37 PolarHBondContact O-N 2.95Å; I37-E40 PolarHBondContact O-N 3.46Å; I37-G41 PolarHBondContact O-N 2.83Å; I37-G42 WeakPolarHBondContact O-CA 3.19Å; I37-G42 PolarHBondContact O-N 2.95Å; I37-D46 WeakPolarHBondContact CD1-O 3.44Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; I37-A47 HydrophobicContact CB-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 4.3Å
38L98.6Very high98.5Very high4 Ų440.3 Ų40.32%0.02122%0.22CC..Hα-helixtrans-65.3-38.8178.8-66.6176.4000112.9P3 I4 V5 G34 Y35 G36 E40 G41 A47 A173 D175P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.95Å; P3-L38 HydrophobicContact CB-CG 4.27Å; P3-L38 HydrophobicContact CG-CB 4.45Å; I4-L38 WeakPolarHBondContact O-CD1 3.26Å; V5-L38 HydrophobicContact CB-CD1 4.03Å; G34-L38 WeakPolarHBondContact O-CG 3.43Å; G34-L38 PolarHBondContact O-N 2.8Å; Y35-L38 HydrophobicContact CD2-CD1 4.5Å; Y35-L38 PolarHBondContact O-N 3.07Å; G36-L38 VanDerWaalsContact C-N 3.32Å; G36-L38 PolarHBondContact O-N 3.47Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.05Å; L38-G41 PolarHBondContact O-N 2.81Å; L38-G41 VanDerWaalsContact O-N 3.1Å; L38-A47 HydrophobicContact CD1-CB 4.12Å; L38-A47 HydrophobicContact CD2-CB 3.61Å; L38-A47 HydrophobicContact CG-CB 3.59Å; L38-A173 HydrophobicContact CD1-CB 4.3Å; L38-D175 HydrophobicContact CD2-CB 3.92Å
39R97.6Very high98.6Very high148 Ų14840.2 Ų40.256%0.55822%0.217SC*.Hα-helixtrans-63.9-31.9177-77.9179.3711761.9112.6Y35 G36 G41 P308Y35-R39 HydrophobicContact CD1-CG 3.92Å; Y35-R39 HydrophobicContact CE1-CG 3.74Å; Y35-R39 WeakPolarHBondContact O-CG 3.36Å; Y35-R39 PolarHBondContact O-N 3.36Å; G36-R39 PolarHBondContact O-N 3.17Å; R39-G41 PolarHBondContact O-N 2.95Å; R39-P308 PolarHBondContact NH1-O 3.36Å
40E97.9Very high98.6Very high174 Ų17435.3 Ų35.381%0.81320%0.204SC*.THydrogen-bonded Turntrans-82.30.7176.7-67.2178.6-179.600113G36 I37 L38G36-E40 WeakPolarHBondContact O-CG 3.37Å; G36-E40 PolarHBondContact O-N 2.88Å; G36-E40 VanDerWaalsContact O-N 3.13Å; I37-E40 PolarHBondContact O-N 3.46Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.05Å
41G98.1Very high98.6Very high49 Ų4935.3 Ų35.351%0.50520%0.204SC..THydrogen-bonded Turntrans85.315.6179.100000114.5I37 L38 R39I37-G41 PolarHBondContact O-N 2.83Å; L38-G41 PolarHBondContact O-N 2.81Å; L38-G41 VanDerWaalsContact O-N 3.1Å; R39-G41 PolarHBondContact O-N 2.95Å
42G98.6Very high98.6Very high22 Ų2235.3 Ų35.323%0.22720%0.204CC..  trans-64167.6171.700000113.2I37I37-G42 WeakPolarHBondContact O-CA 3.19Å; I37-G42 PolarHBondContact O-N 2.95Å
43S98.9Very high98.7Very high37 Ų3734 Ų3426%0.25920%0.195SC..  trans-80.5162.9-178.371.60000112.7V45 D46 A47S43-V45 PolarHBondContact O-N 3.13Å; S43-D46 WeakPolarHBondContact CB-OD2 3.46Å; S43-D46 PolarHBondContact N-OD2 2.96Å; S43-D46 VanDerWaalsContact N-OD2 3.12Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 VanDerWaalsContact OG-N 3.11Å; S43-D46 PolarHBondContact OG-OD2 2.92Å; S43-A47 PolarHBondContact O-N 3.13Å; S43-A47 VanDerWaalsContact O-N 3.08Å
44A98.9Very high98.7Very high1 Ų132.1 Ų32.11%0.00819%0.186CC..Hα-helixtrans-58.9-38.3172.500000111.8A47 V48 A173 D175 N179 A181A44-A47 PolarHBondContact O-N 3.11Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.91Å; A44-A173 HydrophobicContact CB-CB 4.21Å; A44-D175 HydrophobicContact CB-CB 4.07Å; A44-D175 PolarHBondContact N-OD2 3.04Å; A44-N179 WeakPolarHBondContact CB-O 3.3Å; A44-A181 HydrophobicContact CB-CB 3.71Å
45V98.9Very high98.7Very high5 Ų532.1 Ų32.13%0.0319%0.186CC..Hα-helixtrans-61.7-47.2176.6176.40000111.1S43 A47 V48 E49 I81 D83 M109 A181S43-V45 PolarHBondContact O-N 3.13Å; V45-A47 VanDerWaalsContact C-N 3.29Å; V45-A47 PolarHBondContact O-N 2.8Å; V45-V48 WeakPolarHBondContact O-CG2 3.34Å; V45-V48 PolarHBondContact O-N 2.83Å; V45-E49 WeakPolarHBondContact O-CB 3.34Å; V45-E49 PolarHBondContact O-N 2.71Å; V45-I81 HydrophobicContact CG1-CD1 3.79Å; V45-I81 HydrophobicContact CG1-CG1 4.46Å; V45-D83 HydrophobicContact CG2-CB 3.75Å; V45-M109 HydrophobicContact CG1-CE 4.01Å; V45-A181 HydrophobicContact CG2-CB 3.93Å
46D98.9Very high98.7Very high49 Ų4931.2 Ų31.226%0.26218%0.183SC..Hα-helixtrans-61.2-41177.8-58.5-43.6000111.2I37 S43 G50 R106I37-D46 WeakPolarHBondContact CD1-O 3.44Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; S43-D46 WeakPolarHBondContact CB-OD2 3.46Å; S43-D46 PolarHBondContact N-OD2 2.96Å; S43-D46 VanDerWaalsContact N-OD2 3.12Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 VanDerWaalsContact OG-N 3.11Å; S43-D46 PolarHBondContact OG-OD2 2.92Å; D46-G50 PolarHBondContact O-N 3.23Å; D46-R106 IonicContact OD1-CZ 3.2Å; D46-R106 IonicContact OD1-NH1 2.65Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.89Å; D46-R106 PolarHBondContact OD1-NH2 2.85Å
47A98.9Very high98.7Very high0 Ų034.3 Ų34.30%019%0.193CC..Hα-helixtrans-65.4-45.5-179.100000112.6G34 I37 L38 S43 A44 V45 A51 A173G34-A47 WeakPolarHBondContact CA-O 3.48Å; G34-A47 WeakPolarHBondContact O-CB 3.42Å; I37-A47 HydrophobicContact CB-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 4.3Å; L38-A47 HydrophobicContact CD1-CB 4.12Å; L38-A47 HydrophobicContact CD2-CB 3.61Å; L38-A47 HydrophobicContact CG-CB 3.59Å; S43-A47 PolarHBondContact O-N 3.13Å; S43-A47 VanDerWaalsContact O-N 3.08Å; A44-A47 PolarHBondContact O-N 3.11Å; V45-A47 VanDerWaalsContact C-N 3.29Å; V45-A47 PolarHBondContact O-N 2.8Å; A47-A51 WeakPolarHBondContact O-CB 3.15Å; A47-A51 PolarHBondContact O-N 3.27Å; A47-A173 HydrophobicContact CB-CB 4.13Å
48V98.9Very high98.7Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-72.2-36.6179-60.70000112.1A44 V45 V52 I81 A171 A173 A181 A183A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.91Å; V45-V48 WeakPolarHBondContact O-CG2 3.34Å; V45-V48 PolarHBondContact O-N 2.83Å; V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.82Å; V48-I81 HydrophobicContact CG2-CD1 4.16Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; V48-A171 HydrophobicContact CB-CB 3.95Å; V48-A171 HydrophobicContact CG1-CB 4.03Å; V48-A173 HydrophobicContact CG1-CB 3.61Å; V48-A181 HydrophobicContact CG1-CB 4.43Å; V48-A181 HydrophobicContact CG2-CB 3.91Å; V48-A183 HydrophobicContact CB-CB 3.76Å; V48-A183 HydrophobicContact CG2-CB 3.74Å
49E98.9Very high98.6Very high30 Ų3035.8 Ų35.814%0.1421%0.205CC..Hα-helixtrans-60.7-52.3172.1-176.1-170.2-147.600110.1V45 A51 V52 V53 I81 I102 K103 R106V45-E49 WeakPolarHBondContact O-CB 3.34Å; V45-E49 PolarHBondContact O-N 2.71Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.69Å; E49-V52 PolarHBondContact O-N 3.22Å; E49-V53 HydrophobicContact CG-CG2 4.22Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 VanDerWaalsContact O-CG2 3.29Å; E49-V53 WeakPolarHBondContact O-CG2 3.13Å; E49-V53 PolarHBondContact O-N 2.87Å; E49-I81 HydrophobicContact CB-CD1 4.03Å; E49-I102 HydrophobicContact CG-CG2 4.33Å; E49-K103 HydrophobicContact CG-CG 4.46Å; E49-K103 WeakPolarHBondContact OE1-CG 3.49Å; E49-R106 VanDerWaalsContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE1-CD 3.32Å; E49-R106 WeakPolarHBondContact OE2-CD 3.48Å; E49-R106 IonicContact OE2-CZ 3.41Å; E49-R106 IonicContact OE2-NE 3.17Å; E49-R106 IonicContact OE2-NH1 3.25Å; E49-R106 PolarHBondContact OE2-NH1 3.07Å
50G98.9Very high98.5Very high15 Ų1530.1 Ų30.116%0.15519%0.185CC..Hα-helixtrans-59.5-41.8-178.700000113.1D46 A54D46-G50 PolarHBondContact O-N 3.23Å; G50-A54 PolarHBondContact O-N 3.06Å; G50-A54 VanDerWaalsContact O-N 3.15Å
51A98.9Very high98.4Very high0 Ų022 Ų220%015%0.147CC..Hα-helixtrans-63.7-44.2176.100000112.3V7 A30 A47 E49 A54 L55 A171V7-A51 HydrophobicContact CG1-CB 3.84Å; A30-A51 WeakPolarHBondContact CB-O 3.43Å; A30-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 WeakPolarHBondContact O-CB 3.15Å; A47-A51 PolarHBondContact O-N 3.27Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.69Å; A51-A54 PolarHBondContact O-N 3.44Å; A51-L55 PolarHBondContact O-N 3.44Å; A51-A171 HydrophobicContact CB-CB 3.92Å
52V98.9Very high98.4Very high0 Ų020 Ų200%013%0.125CC..Hα-helixtrans-71.4-36.6179.6173.70000111.7V48 E49 A54 L55 E56 I102 V169 A171 A183V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.82Å; E49-V52 PolarHBondContact O-N 3.22Å; V52-A54 VanDerWaalsContact C-N 3.3Å; V52-A54 PolarHBondContact O-N 3.06Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.14Å; V52-E56 HydrophobicContact CG1-CG 4.2Å; V52-E56 WeakPolarHBondContact O-CG 3.45Å; V52-E56 PolarHBondContact O-N 3.22Å; V52-I102 HydrophobicContact CB-CB 4.5Å; V52-I102 HydrophobicContact CB-CG1 4.23Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.85Å; V52-I102 HydrophobicContact CG1-CD1 4.45Å; V52-I102 HydrophobicContact CG1-CG1 3.94Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å; V52-V169 HydrophobicContact CG1-CG2 4.24Å; V52-A171 HydrophobicContact CG2-CB 3.97Å; V52-A183 HydrophobicContact CB-CB 4.27Å; V52-A183 HydrophobicContact CG2-CB 3.64Å
53V98.9Very high98.4Very high27 Ų2719 Ų1916%0.16411%0.114CC..Hα-helixtrans-57.3-44.7172.51680000110.8E49 L55 E56 D57 I102 K103E49-V53 HydrophobicContact CG-CG2 4.22Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 VanDerWaalsContact O-CG2 3.29Å; E49-V53 WeakPolarHBondContact O-CG2 3.13Å; E49-V53 PolarHBondContact O-N 2.87Å; V53-L55 PolarHBondContact O-N 2.62Å; V53-E56 PolarHBondContact O-N 3.03Å; V53-E56 VanDerWaalsContact O-N 3.16Å; V53-D57 PolarHBondContact O-N 3.37Å; V53-I102 HydrophobicContact CG2-CG2 3.61Å; V53-K103 HydrophobicContact CG2-CD 3.91Å; V53-K103 HydrophobicContact CG2-CG 3.67Å
54A98.8Very high98.4Very high25 Ų2517.2 Ų17.221%0.20710%0.101CC..Hα-helixtrans-60.6-29.3177.200000113.1A30 V33 G50 A51 V52A30-A54 HydrophobicContact CB-CB 4.36Å; V33-A54 HydrophobicContact CG2-CB 4.4Å; G50-A54 PolarHBondContact O-N 3.06Å; G50-A54 VanDerWaalsContact O-N 3.15Å; A51-A54 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact C-N 3.3Å; V52-A54 PolarHBondContact O-N 3.06Å
55L98.8Very high98.3Very high0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-84.6-32.4175.8-63.3175.2000112.8I27 A30 A51 V52 V53 D57 D58 F61 V169I27-L55 HydrophobicContact CD1-CD1 4.48Å; I27-L55 HydrophobicContact CD1-CD2 4.3Å; A30-L55 HydrophobicContact CB-CD1 3.94Å; A30-L55 HydrophobicContact CB-CD2 3.6Å; A30-L55 HydrophobicContact CB-CG 3.56Å; A51-L55 PolarHBondContact O-N 3.44Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.14Å; V53-L55 PolarHBondContact O-N 2.62Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D58 PolarHBondContact O-N 3.15Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 3.91Å; L55-F61 HydrophobicContact CD2-CE2 3.81Å; L55-F61 HydrophobicContact CD2-CG 4.16Å; L55-F61 HydrophobicContact CD2-CZ 3.75Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.05Å; L55-V169 HydrophobicContact CB-CG2 3.99Å; L55-V169 HydrophobicContact CD1-CB 3.75Å; L55-V169 HydrophobicContact CD1-CG1 4.14Å; L55-V169 HydrophobicContact CD1-CG2 4.37Å
56E98.9Very high98.2Very high0 Ų018.7 Ų18.70%011%0.112CC..Hα-helixtrans-66.7-32.9173.1-75.7-179.8157.800112.5V52 V53 D58 A63 G64 C65 N100 P101 I102 S185V52-E56 HydrophobicContact CG1-CG 4.2Å; V52-E56 WeakPolarHBondContact O-CG 3.45Å; V52-E56 PolarHBondContact O-N 3.22Å; V53-E56 PolarHBondContact O-N 3.03Å; V53-E56 VanDerWaalsContact O-N 3.16Å; E56-D58 VanDerWaalsContact C-N 3.3Å; E56-A63 HydrophobicContact CG-CB 3.94Å; E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.49Å; E56-C65 PolarHBondContact O-N 3.43Å; E56-N100 WeakPolarHBondContact OE2-CA 3.42Å; E56-N100 WeakPolarHBondContact OE2-CB 3.39Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; E56-P101 VanDerWaalsContact OE1-CD 3.3Å; E56-P101 WeakPolarHBondContact OE1-CD 3.45Å; E56-I102 WeakPolarHBondContact OE1-CB 3.36Å; E56-I102 PolarHBondContact OE1-N 3.25Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.29Å; E56-S185 VanDerWaalsContact OE1-CB 3.27Å; E56-S185 WeakPolarHBondContact OE1-CB 3.17Å; E56-S185 PolarHBondContact OE1-OG 2.99Å
57D98.7Very high98.2Very high90 Ų9016.3 Ų16.348%0.48110%0.099SC..SBendtrans-81.4-11.4178.2-68.7-13.7000112.5V53 L55 P59 N100V53-D57 PolarHBondContact O-N 3.37Å; L55-D57 VanDerWaalsContact C-N 3.31Å; D57-P59 WeakPolarHBondContact O-CD 3.48Å; D57-N100 PolarHBondContact OD1-ND2 3.41Å
58D98Very high98.1Very high16 Ų1616.3 Ų16.39%0.08610%0.099CC..  trans-96.1111.4-177.9-173.1-24.8000112G26 R29 L55 E56 E60 F61G26-D58 WeakPolarHBondContact CA-OD2 3.46Å; R29-D58 IonicContact CZ-OD2 2.67Å; R29-D58 IonicContact NH2-OD2 3.58Å; R29-D58 PolarHBondContact NH2-OD2 3.1Å; L55-D58 PolarHBondContact O-N 3.15Å; E56-D58 VanDerWaalsContact C-N 3.3Å; D58-E60 PolarHBondContact O-N 3.32Å; D58-E60 WeakPolarHBondContact OD1-CB 3.2Å; D58-E60 PolarHBondContact OD1-N 3.44Å; D58-F61 HydrophobicContact CB-CD2 3.76Å; D58-F61 HydrophobicContact CB-CE2 4.16Å; D58-F61 PolarHBondContact O-N 3.46Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.34Å
59P96.8Very high98Very high63 Ų6316.5 Ų16.541%0.40910%0.1SC..THydrogen-bonded Turntrans-65.7-5-174.428.8-36.8000114.9D57 F61 C65 T141 K143D57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-F61 VanDerWaalsContact C-N 3.35Å; P59-C65 WeakPolarHBondContact CA-O 3.47Å; P59-T141 HydrophobicContact CB-CG2 4.11Å; P59-K143 PolarHBondContact O-NZ 3.32Å
60E95.3Very high98Very high29 Ų2915.1 Ų15.114%0.1369%0.094CC..THydrogen-bonded Turntrans-75.7-22.2171.4-77.2-62.816900114.3R19 R22 D58 K143R19-E60 IonicContact CZ-OE2 3.17Å; R19-E60 IonicContact NE-OE2 3.53Å; R19-E60 PolarHBondContact NE-OE2 2.92Å; R19-E60 PolarHBondContact NH2-O 2.9Å; R19-E60 VanDerWaalsContact NH2-O 3.12Å; R19-E60 IonicContact NH2-OE2 3.06Å; R19-E60 PolarHBondContact NH2-OE2 2.88Å; R19-E60 VanDerWaalsContact NH2-OE2 3.17Å; R22-E60 HydrophobicContact CB-CG 3.93Å; R22-E60 IonicContact CZ-OE1 3.43Å; R22-E60 IonicContact NE-OE1 3.45Å; R22-E60 PolarHBondContact NE-OE1 2.99Å; R22-E60 IonicContact NH2-OE1 2.76Å; R22-E60 PolarHBondContact NH2-OE1 3.3Å; D58-E60 PolarHBondContact O-N 3.32Å; D58-E60 WeakPolarHBondContact OD1-CB 3.2Å; D58-E60 PolarHBondContact OD1-N 3.44Å; E60-K143 PolarHBondContact O-NZ 3.18Å; E60-K143 IonicContact OE2-NZ 3.62Å; E60-K143 PolarHBondContact OE2-NZ 3.49Å
61F96.8Very high97.9Very high5 Ų516.7 Ų16.72%0.02210%0.101CC..SBendtrans-99.2159.6-176.6-61.7-91.2000112.2M23 I27 L55 D58 P59 A63 G66 V169M23-F61 HydrophobicContact CE-CD1 4.28Å; M23-F61 HydrophobicContact CE-CE1 3.99Å; I27-F61 HydrophobicContact CD1-CE1 3.89Å; I27-F61 HydrophobicContact CD1-CZ 4.29Å; I27-F61 HydrophobicContact CG1-CE1 3.84Å; I27-F61 HydrophobicContact CG1-CZ 3.89Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 3.91Å; L55-F61 HydrophobicContact CD2-CE2 3.81Å; L55-F61 HydrophobicContact CD2-CG 4.16Å; L55-F61 HydrophobicContact CD2-CZ 3.75Å; D58-F61 HydrophobicContact CB-CD2 3.76Å; D58-F61 HydrophobicContact CB-CE2 4.16Å; D58-F61 PolarHBondContact O-N 3.46Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.34Å; P59-F61 VanDerWaalsContact C-N 3.35Å; F61-A63 PolarHBondContact O-N 2.95Å; F61-G66 CarbonylContact O-C 3.45Å; F61-G66 VanDerWaalsContact O-C 3.23Å; F61-G66 VanDerWaalsContact O-O 3.06Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 3.69Å; F61-V169 HydrophobicContact CG-CG1 4Å
62N97.8Very high97.8Very high6 Ų621.8 Ų21.83%0.03213%0.128CC..SBendtrans-98.162.5-178.7173.336.4000110.3S67 V68 L166 G167 T186 G187 G188N62-S67 WeakPolarHBondContact OD1-CA 3.18Å; N62-V68 WeakPolarHBondContact OD1-CG1 3.5Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.29Å; N62-V68 PolarHBondContact OD1-N 3.3Å; N62-L166 HydrophobicContact CB-CB 4.11Å; N62-L166 PolarHBondContact ND2-O 3.37Å; N62-G167 WeakPolarHBondContact CB-O 3.4Å; N62-T186 CarbonylContact O-C 3.08Å; N62-T186 VanDerWaalsContact O-CA 3.3Å; N62-T186 WeakPolarHBondContact O-CA 3.22Å; N62-G187 PolarHBondContact O-N 2.98Å; N62-G187 WeakPolarHBondContact OD1-CA 3.33Å; N62-G188 PolarHBondContact ND2-O 3.28Å
63A98.3Very high97.7Very high0 Ų023.1 Ų23.10%014%0.142CC..SBendtrans-157.7152.9171.600000108.2E56 F61 C65 S67 V169E56-A63 HydrophobicContact CG-CB 3.94Å; F61-A63 PolarHBondContact O-N 2.95Å; A63-C65 PolarHBondContact O-N 3.39Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.46Å; A63-V169 HydrophobicContact CB-CG2 3.55Å
64G98.5Very high97.7Very high0 Ų025.9 Ų25.90%015%0.153CC..SBendtrans52.3-129.4-176.600000112.3E56 G66 S67 M77 A99E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.49Å; G64-G66 PolarHBondContact O-N 2.98Å; G64-S67 PolarHBondContact N-OG 3.15Å; G64-S67 VanDerWaalsContact O-CB 3.3Å; G64-S67 WeakPolarHBondContact O-CB 3.27Å; G64-S67 PolarHBondContact O-N 3.14Å; G64-S67 PolarHBondContact O-OG 3.42Å; G64-M77 VanDerWaalsContact CA-SD 3.54Å; G64-A99 WeakPolarHBondContact CA-O 3.17Å
65C97.7Very high97.7Very high35 Ų3525.1 Ų25.124%0.23615%0.146CC..THydrogen-bonded Turntrans-67.8125.6170.8-177.70000110.3E56 P59 A63 K138 L139E56-C65 PolarHBondContact O-N 3.43Å; P59-C65 WeakPolarHBondContact CA-O 3.47Å; A63-C65 PolarHBondContact O-N 3.39Å; C65-K138 PolarHBondContact SG-O 2.95Å; C65-L139 HydrophobicContact CB-CD2 4.35Å
66G96.5Very high97.7Very high2 Ų225.3 Ų25.32%0.02115%0.146CC..THydrogen-bonded Turntrans97.71.1-173.200000114.3F61 G64 L139 N144F61-G66 CarbonylContact O-C 3.45Å; F61-G66 VanDerWaalsContact O-C 3.23Å; F61-G66 VanDerWaalsContact O-O 3.06Å; G64-G66 PolarHBondContact O-N 2.98Å; G66-L139 PolarHBondContact N-O 2.97Å; G66-N144 PolarHBondContact O-ND2 3.48Å
67S98.1Very high97.7Very high0 Ų025.3 Ų25.30%015%0.146CC..PPolyproline II helixtrans-53.6144166.7-68.50000112.6N62 A63 G64 V75 N144N62-S67 WeakPolarHBondContact OD1-CA 3.18Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.46Å; G64-S67 PolarHBondContact N-OG 3.15Å; G64-S67 VanDerWaalsContact O-CB 3.3Å; G64-S67 WeakPolarHBondContact O-CB 3.27Å; G64-S67 PolarHBondContact O-N 3.14Å; G64-S67 PolarHBondContact O-OG 3.42Å; S67-V75 VanDerWaalsContact CB-CG1 3.47Å; S67-N144 PolarHBondContact O-ND2 3.35Å
68V96.9Very high97.7Very high0 Ų021 Ų210%012%0.123CC..PPolyproline II helixtrans-69.1161173.8-65.30000111.9N62 L166 G188 I190N62-V68 WeakPolarHBondContact OD1-CG1 3.5Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.29Å; N62-V68 PolarHBondContact OD1-N 3.3Å; V68-L166 HydrophobicContact CG1-CB 3.79Å; V68-L166 HydrophobicContact CG1-CD1 3.28Å; V68-L166 HydrophobicContact CG1-CG 4.16Å; V68-G188 VanDerWaalsContact CG2-O 3.29Å; V68-G188 WeakPolarHBondContact CG2-O 3.45Å; V68-I190 HydrophobicContact CB-CB 4.35Å; V68-I190 HydrophobicContact CB-CD1 4.08Å; V68-I190 HydrophobicContact CG1-CB 4.46Å
69L97.9Very high97.8Very high4 Ų420.2 Ų20.22%0.02112%0.119CC..BIsolated β-bridgetrans-95.7141.4-176.4-52.5-178000111.3E74 V75 V140 N144 K145 L148 I190 N191L69-E74 WeakPolarHBondContact CA-O 3.28Å; L69-V75 HydrophobicContact CD2-CG2 3.73Å; L69-V140 HydrophobicContact CD1-CG1 4.4Å; L69-V140 HydrophobicContact CD2-CG1 4.14Å; L69-V140 HydrophobicContact CD2-CG2 3.93Å; L69-N144 HydrophobicContact CG-CB 4.21Å; L69-K145 HydrophobicContact CD1-CG 4.19Å; L69-L148 HydrophobicContact CB-CB 4.31Å; L69-L148 HydrophobicContact CB-CD2 3.8Å; L69-L148 HydrophobicContact CB-CG 4.48Å; L69-L148 HydrophobicContact CD1-CB 4.22Å; L69-L148 HydrophobicContact CD1-CD2 4.01Å; L69-I190 HydrophobicContact CB-CD1 4.43Å; L69-N191 PolarHBondContact O-N 3.05Å
70N97.8Very high97.9Very high0 Ų017.2 Ų17.20%010%0.1CC..  trans-72.5-176.3167.473.59.7000111.1D72 G73 E74 E76 L148 K192N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CA 3.26Å; N70-D72 PolarHBondContact OD1-N 2.75Å; N70-G73 PolarHBondContact O-N 3.2Å; N70-G73 VanDerWaalsContact O-N 3.11Å; N70-G73 PolarHBondContact OD1-N 2.62Å; N70-G73 VanDerWaalsContact OD1-N 3.13Å; N70-E74 VanDerWaalsContact CG-O 3.31Å; N70-E74 PolarHBondContact N-O 2.74Å; N70-E74 PolarHBondContact OD1-N 2.95Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N70-E76 PolarHBondContact ND2-OE2 2.81Å; N70-L148 WeakPolarHBondContact O-CD1 3.42Å; N70-L148 WeakPolarHBondContact O-CD2 3.3Å; N70-K192 CarbonylContact C-O 3.56Å; N70-K192 WeakPolarHBondContact CA-O 3.33Å; N70-K192 HydrophobicContact CB-CG 3.82Å
71T96.8Very high98.1Very high49 Ų4915.9 Ų15.930%0.3019%0.093SC..THydrogen-bonded Turntrans-64.3-22.8-177.6-153.30000113.7K152 N191 K192 V194T71-K152 WeakPolarHBondContact O-CE 3.43Å; T71-K152 PolarHBondContact O-NZ 2.85Å; T71-N191 WeakPolarHBondContact CA-OD1 3.39Å; T71-N191 WeakPolarHBondContact CB-OD1 3.3Å; T71-N191 PolarHBondContact OG1-OD1 2.89Å; T71-K192 PolarHBondContact N-O 2.84Å; T71-V194 HydrophobicContact CG2-CG2 4.08Å
72D97.8Very high98.2Very high107 Ų10715.8 Ų15.857%0.5729%0.093SC*.THydrogen-bonded Turntrans-91.6-0.4178-69.8-11.4000112.8N70 E74 V194N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CA 3.26Å; N70-D72 PolarHBondContact OD1-N 2.75Å; D72-E74 HydrophobicContact CB-CG 4.46Å; D72-V194 HydrophobicContact CB-CG2 4.44Å; D72-V194 VanDerWaalsContact OD2-CG2 3.27Å; D72-V194 WeakPolarHBondContact OD2-CG2 3.35Å
73G97.8Very high98.2Very high28 Ų2817.1 Ų17.129%0.28910%0.1SC..SBendtrans84.613.6-178.900000114.1N70N70-G73 PolarHBondContact O-N 3.2Å; N70-G73 VanDerWaalsContact O-N 3.11Å; N70-G73 PolarHBondContact OD1-N 2.62Å; N70-G73 VanDerWaalsContact OD1-N 3.13Å
74E98.6Very high98.2Very high84 Ų8417.2 Ų17.239%0.39310%0.101SC..  trans-101.9154.2-179-56.9-177.4153.400111.5L69 N70 D72 R96L69-E74 WeakPolarHBondContact CA-O 3.28Å; N70-E74 VanDerWaalsContact CG-O 3.31Å; N70-E74 PolarHBondContact N-O 2.74Å; N70-E74 PolarHBondContact OD1-N 2.95Å; N70-E74 PolarHBondContact OD1-O 3.29Å; D72-E74 HydrophobicContact CB-CG 4.46Å; E74-R96 IonicContact OE2-CZ 3.24Å; E74-R96 VanDerWaalsContact OE2-CZ 3.24Å; E74-R96 IonicContact OE2-NH1 2.66Å; E74-R96 PolarHBondContact OE2-NH1 3.2Å; E74-R96 IonicContact OE2-NH2 2.73Å
75V98.7Very high98.3Very high10 Ų1023.9 Ų23.96%0.06113%0.13CC..BIsolated β-bridgetrans-87.1126.1170.91690000109.1S67 L69 M77 L139 V140S67-V75 VanDerWaalsContact CB-CG1 3.47Å; L69-V75 HydrophobicContact CD2-CG2 3.73Å; V75-M77 HydrophobicContact CG1-CE 4.15Å; V75-M77 HydrophobicContact CG1-CG 3.6Å; V75-M77 HydrophobicContact CG1-SD 3.83Å; V75-L139 HydrophobicContact CB-CB 4.27Å; V75-L139 HydrophobicContact CB-CD1 4.45Å; V75-L139 HydrophobicContact CG1-CB 4.25Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.05Å; V75-V140 HydrophobicContact CG2-CG2 4.03Å
76E98.8Very high98.3Very high3 Ų326.9 Ų26.91%0.01414%0.144CC..  trans-127.5126.4169.8-74.1178.4123.400108N70 R96 G187 K192 G195N70-E76 PolarHBondContact ND2-OE2 2.81Å; E76-R96 HydrophobicContact CG-CG 4.17Å; E76-R96 IonicContact OE1-CZ 3.55Å; E76-R96 IonicContact OE1-NE 3.56Å; E76-R96 IonicContact OE1-NH2 3.86Å; E76-R96 PolarHBondContact OE1-NH2 3.47Å; E76-G187 CarbonylContact O-C 3.54Å; E76-G187 VanDerWaalsContact O-O 3.12Å; E76-K192 PolarHBondContact O-NZ 3.45Å; E76-G195 PolarHBondContact OE1-N 3.01Å; E76-G195 VanDerWaalsContact OE1-N 3.09Å; E76-G195 PolarHBondContact OE2-N 3.02Å; E76-G195 VanDerWaalsContact OE2-N 3.16Å
77M98.9Very high98.4Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-119.1151.3-171.8-59.3167.4-69.100111.9G64 V75 S93 A94 V95 I98 P101 L139 T186G64-M77 VanDerWaalsContact CA-SD 3.54Å; V75-M77 HydrophobicContact CG1-CE 4.15Å; V75-M77 HydrophobicContact CG1-CG 3.6Å; V75-M77 HydrophobicContact CG1-SD 3.83Å; M77-S93 CarbonylContact O-C 3.43Å; M77-A94 PolarHBondContact O-N 3.23Å; M77-V95 HydrophobicContact CB-CG2 4.13Å; M77-V95 PolarHBondContact N-O 3.3Å; M77-V95 WeakPolarHBondContact O-CG2 3.46Å; M77-V95 PolarHBondContact O-N 3.4Å; M77-I98 HydrophobicContact CE-CG1 4.23Å; M77-I98 WeakPolarHBondContact CE-O 3.29Å; M77-P101 HydrophobicContact CB-CB 4.32Å; M77-P101 HydrophobicContact CB-CG 3.56Å; M77-P101 HydrophobicContact CE-CG 3.77Å; M77-P101 HydrophobicContact CG-CG 4.13Å; M77-P101 HydrophobicContact SD-CG 3.54Å; M77-P101 VanDerWaalsContact SD-CG 3.54Å; M77-L139 HydrophobicContact CE-CD1 3.74Å; M77-L139 HydrophobicContact SD-CD1 4.38Å; M77-T186 CarbonylContact C-O 3.53Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å
78D98.9Very high98.4Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-127144.2173.8-52.4-31.6000109.2V92 S93 A94 S185 T186 G198 T200 P201D78-V92 CarbonylContact C-O 3.38Å; D78-V92 VanDerWaalsContact CA-O 3.3Å; D78-V92 WeakPolarHBondContact CA-O 3.25Å; D78-S93 WeakPolarHBondContact OD1-CA 3.49Å; D78-S93 WeakPolarHBondContact OD1-CB 3.41Å; D78-A94 PolarHBondContact OD1-N 3.1Å; D78-S185 WeakPolarHBondContact O-CA 3.19Å; D78-T186 HydrophobicContact CB-CG2 4.06Å; D78-T186 PolarHBondContact N-O 3.45Å; D78-T186 PolarHBondContact O-N 3.12Å; D78-G198 PolarHBondContact OD2-N 3.09Å; D78-G198 VanDerWaalsContact OD2-N 3.13Å; D78-T200 HydrophobicContact CB-CG2 4.37Å; D78-T200 WeakPolarHBondContact O-CG2 3.44Å; D78-P201 HydrophobicContact CB-CB 4.18Å; D78-P201 HydrophobicContact CB-CG 3.78Å
79A98.9Very high98.5Very high0 Ų033.1 Ų33.10%018%0.18CC..EExtended strand (participates in β ladder)trans-151151.2173.600000112.1A91 V92 P101 I102 A105 T184A79-A91 CarbonylContact O-C 3.55Å; A79-A91 VanDerWaalsContact O-CA 3.26Å; A79-A91 WeakPolarHBondContact O-CA 3.39Å; A79-V92 HydrophobicContact CB-CG2 4.33Å; A79-V92 PolarHBondContact N-O 3.29Å; A79-V92 PolarHBondContact O-N 3.3Å; A79-P101 HydrophobicContact CB-CB 3.69Å; A79-I102 HydrophobicContact CB-CB 4.45Å; A79-I102 HydrophobicContact CB-CD1 4.08Å; A79-A105 HydrophobicContact CB-CB 4.37Å; A79-T184 CarbonylContact C-O 3.44Å; A79-T184 WeakPolarHBondContact CA-O 3.39Å
80S98.9Very high98.6Very high0 Ų032.9 Ų32.90%018%0.179CC..EExtended strand (participates in β ladder)trans-143.1153.9166.163.60000112.8G90 I102 Y182 A183 T184 T200S80-G90 CarbonylContact C-O 3.59Å; S80-G90 VanDerWaalsContact CA-O 3.26Å; S80-G90 WeakPolarHBondContact CA-O 3.22Å; S80-I102 VanDerWaalsContact O-CD1 3.22Å; S80-I102 WeakPolarHBondContact O-CD1 3.33Å; S80-Y182 WeakPolarHBondContact OG-CE2 3.42Å; S80-Y182 PolarHBondContact OG-OH 2.98Å; S80-A183 WeakPolarHBondContact O-CA 3.35Å; S80-T184 PolarHBondContact N-O 2.98Å; S80-T184 PolarHBondContact O-N 3.35Å; S80-T200 WeakPolarHBondContact CB-O 3.26Å; S80-T200 PolarHBondContact OG-O 2.91Å
81I98.9Very high98.6Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-138146175.8-164.6167.9000109.2V45 V48 E49 V89 G90 I102 A105 R106 M109 Y182 A183V45-I81 HydrophobicContact CG1-CD1 3.79Å; V45-I81 HydrophobicContact CG1-CG1 4.46Å; V48-I81 HydrophobicContact CG2-CD1 4.16Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; E49-I81 HydrophobicContact CB-CD1 4.03Å; I81-V89 WeakPolarHBondContact O-CA 3.48Å; I81-G90 PolarHBondContact N-O 3.47Å; I81-G90 PolarHBondContact O-N 3.38Å; I81-I102 HydrophobicContact CB-CD1 4.08Å; I81-A105 HydrophobicContact CG2-CB 4.33Å; I81-R106 HydrophobicContact CD1-CB 4.5Å; I81-R106 HydrophobicContact CG2-CB 4.24Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; I81-Y182 WeakPolarHBondContact CA-O 3.47Å; I81-Y182 WeakPolarHBondContact CG1-O 3.3Å; I81-A183 HydrophobicContact CD1-CB 4.38Å; I81-A183 HydrophobicContact CG1-CB 4.17Å
82M98.9Very high98.7Very high3 Ų330.6 Ų30.62%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-144.3134.6178.9-174.3173.9-173.200111.7L87 S88 V89 A181 Y182 V203 Y208 A209M82-L87 HydrophobicContact CE-CB 3.6Å; M82-L87 HydrophobicContact CE-CD2 3.74Å; M82-L87 HydrophobicContact CE-CG 4.2Å; M82-S88 CarbonylContact C-O 3.6Å; M82-S88 VanDerWaalsContact CA-O 3.29Å; M82-S88 WeakPolarHBondContact CA-O 3.45Å; M82-S88 WeakPolarHBondContact CG-O 3.44Å; M82-V89 HydrophobicContact CB-CG2 4.02Å; M82-V89 HydrophobicContact CE-CG2 3.98Å; M82-V89 HydrophobicContact CG-CG2 3.55Å; M82-V89 HydrophobicContact SD-CG2 3.78Å; M82-A181 VanDerWaalsContact O-CA 3.29Å; M82-A181 WeakPolarHBondContact O-CA 3.43Å; M82-A181 WeakPolarHBondContact O-CB 3.31Å; M82-Y182 HydrophobicContact CB-CD1 3.57Å; M82-Y182 HydrophobicContact CB-CE1 3.23Å; M82-Y182 HydrophobicContact CG-CE1 4.18Å; M82-Y182 PolarHBondContact N-O 2.96Å; M82-Y182 VanDerWaalsContact N-O 3.09Å; M82-Y182 PolarHBondContact O-N 2.92Å; M82-Y182 HydrophobicContact SD-CE1 3.95Å; M82-V203 HydrophobicContact CE-CG1 4.45Å; M82-V203 HydrophobicContact SD-CG1 3.91Å; M82-Y208 HydrophobicContact CE-CD2 4.49Å; M82-Y208 HydrophobicContact CE-CE1 4.29Å; M82-Y208 HydrophobicContact CE-CE2 4.13Å; M82-Y208 HydrophobicContact SD-CD2 4.21Å; M82-Y208 HydrophobicContact SD-CE2 4.42Å; M82-Y208 HydrophobicContact SD-CG 4.33Å; M82-A209 HydrophobicContact CB-CB 4.26Å; M82-A209 VanDerWaalsContact CE-O 3.28Å; M82-A209 WeakPolarHBondContact CE-O 3.26Å; M82-A209 HydrophobicContact CG-CB 4.15Å; M82-A209 HydrophobicContact SD-CB 4.45Å; M82-A209 PolarHBondContact SD-N 2.74Å; M82-A209 VanDerWaalsContact SD-N 3.42Å
83D98.9Very high98.8Very high35 Ų3525.7 Ų25.719%0.18714%0.139CC..EExtended strand (participates in β ladder)trans-91122.5168.6-171.8-18.1000109.6V45 K85 L87 S88V45-D83 HydrophobicContact CG2-CB 3.75Å; D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 VanDerWaalsContact OD1-CB 3.29Å; D83-K85 WeakPolarHBondContact OD1-CB 3.48Å; D83-K85 PolarHBondContact OD1-N 2.74Å; D83-L87 WeakPolarHBondContact O-CA 2.99Å; D83-L87 PolarHBondContact O-N 3.27Å; D83-L87 VanDerWaalsContact O-N 3.1Å; D83-S88 PolarHBondContact N-O 3.05Å
84G98.9Very high98.8Very high1 Ų124.6 Ų24.61%0.0113%0.127CC..THydrogen-bonded Turntrans-71.3-11.7179.800000114.6V180 N211G84-V180 WeakPolarHBondContact CA-O 3.5Å; G84-V180 PolarHBondContact N-O 3.11Å; G84-N211 VanDerWaalsContact C-OD1 3.26Å; G84-N211 WeakPolarHBondContact O-CB 3.44Å; G84-N211 PolarHBondContact O-N 2.96Å
85K98.8Very high98.8Very high141 Ų14120.8 Ų20.861%0.61311%0.11SC*.THydrogen-bonded Turntrans-69.1-49.7-176.5179.4-175.4170.5-169.80113.6D83 N211D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 VanDerWaalsContact OD1-CB 3.29Å; D83-K85 WeakPolarHBondContact OD1-CB 3.48Å; D83-K85 PolarHBondContact OD1-N 2.74Å; K85-N211 WeakPolarHBondContact CA-ND2 3.46Å; K85-N211 PolarHBondContact N-OD1 2.89Å
86D98.6Very high98.8Very high98 Ų9824 Ų2452%0.52412%0.121SC..THydrogen-bonded Turntrans-127.710.7-177.96011.1000112.2S88D86-S88 VanDerWaalsContact CG-OG 3.24Å; D86-S88 PolarHBondContact O-N 2.85Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.97Å; D86-S88 PolarHBondContact OD1-OG 3.11Å; D86-S88 PolarHBondContact OD2-OG 3.01Å
87L98.8Very high98.8Very high73 Ų7325.8 Ų25.838%0.38213%0.133SC..  trans62.624.3-179.4-45.9-179.9000112.7M82 D83 V89 A209 D210M82-L87 HydrophobicContact CE-CB 3.6Å; M82-L87 HydrophobicContact CE-CD2 3.74Å; M82-L87 HydrophobicContact CE-CG 4.2Å; D83-L87 WeakPolarHBondContact O-CA 2.99Å; D83-L87 PolarHBondContact O-N 3.27Å; D83-L87 VanDerWaalsContact O-N 3.1Å; L87-V89 WeakPolarHBondContact O-CG2 3.47Å; L87-V89 PolarHBondContact O-N 3.36Å; L87-A209 WeakPolarHBondContact CD2-O 3.29Å; L87-D210 HydrophobicContact CD2-CB 4.14Å
88S98.8Very high98.8Very high44 Ų4426.2 Ų26.231%0.30814%0.135SC..  trans-58.6133.3171-66.90000110.3M82 D83 D86M82-S88 CarbonylContact C-O 3.6Å; M82-S88 VanDerWaalsContact CA-O 3.29Å; M82-S88 WeakPolarHBondContact CA-O 3.45Å; M82-S88 WeakPolarHBondContact CG-O 3.44Å; D83-S88 PolarHBondContact N-O 3.05Å; D86-S88 VanDerWaalsContact CG-OG 3.24Å; D86-S88 PolarHBondContact O-N 2.85Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.97Å; D86-S88 PolarHBondContact OD1-OG 3.11Å; D86-S88 PolarHBondContact OD2-OG 3.01Å
89V98.7Very high98.8Very high15 Ų1527.9 Ų27.99%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-132.5143.8-174.11670000109.6I81 M82 L87 C115 V203I81-V89 WeakPolarHBondContact O-CA 3.48Å; M82-V89 HydrophobicContact CB-CG2 4.02Å; M82-V89 HydrophobicContact CE-CG2 3.98Å; M82-V89 HydrophobicContact CG-CG2 3.55Å; M82-V89 HydrophobicContact SD-CG2 3.78Å; L87-V89 WeakPolarHBondContact O-CG2 3.47Å; L87-V89 PolarHBondContact O-N 3.36Å; V89-C115 HydrophobicContact CB-CB 4.13Å; V89-C115 HydrophobicContact CG1-CB 3.97Å; V89-V203 HydrophobicContact CB-CG2 4.25Å; V89-V203 HydrophobicContact CG1-CG2 3.39Å; V89-V203 HydrophobicContact CG2-CG1 4.43Å; V89-V203 HydrophobicContact CG2-CG2 3.79Å
90G98.9Very high98.8Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-135.4142.1160.400000111.6S80 I81 A105 C115S80-G90 CarbonylContact C-O 3.59Å; S80-G90 VanDerWaalsContact CA-O 3.26Å; S80-G90 WeakPolarHBondContact CA-O 3.22Å; I81-G90 PolarHBondContact N-O 3.47Å; I81-G90 PolarHBondContact O-N 3.38Å; G90-A105 VanDerWaalsContact CA-O 3.27Å; G90-A105 WeakPolarHBondContact CA-O 3.45Å; G90-C115 CarbonylContact C-O 3.56Å; G90-C115 WeakPolarHBondContact CA-O 3.42Å
91A98.9Very high98.8Very high1 Ų129.3 Ų29.31%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-147.8151-178.500000111.7A79 C115 F116 L117 P201A79-A91 CarbonylContact O-C 3.55Å; A79-A91 VanDerWaalsContact O-CA 3.26Å; A79-A91 WeakPolarHBondContact O-CA 3.39Å; A91-C115 PolarHBondContact N-O 3.25Å; A91-F116 HydrophobicContact CB-CB 4.16Å; A91-F116 HydrophobicContact CB-CD1 4.37Å; A91-F116 HydrophobicContact CB-CD2 3.68Å; A91-F116 HydrophobicContact CB-CE2 4.19Å; A91-F116 HydrophobicContact CB-CG 3.82Å; A91-F116 WeakPolarHBondContact O-CA 3.29Å; A91-F116 WeakPolarHBondContact O-CD2 3.12Å; A91-L117 PolarHBondContact O-N 2.62Å; A91-L117 VanDerWaalsContact O-N 3.12Å; A91-P201 HydrophobicContact CB-CB 4.24Å; A91-P201 WeakPolarHBondContact CB-O 3.48Å
92V98.9Very high98.8Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-138.7148.4171-65.40000112D78 A79 V95 P101 L104 A105 V108 L117 A122 P201D78-V92 CarbonylContact C-O 3.38Å; D78-V92 VanDerWaalsContact CA-O 3.3Å; D78-V92 WeakPolarHBondContact CA-O 3.25Å; A79-V92 HydrophobicContact CB-CG2 4.33Å; A79-V92 PolarHBondContact N-O 3.29Å; A79-V92 PolarHBondContact O-N 3.3Å; V92-V95 HydrophobicContact CB-CG1 3.76Å; V92-V95 HydrophobicContact CG1-CG1 4.46Å; V92-V95 HydrophobicContact CG2-CG1 4.05Å; V92-V95 HydrophobicContact CG2-CG2 3.99Å; V92-P101 HydrophobicContact CG2-CB 4.37Å; V92-L104 HydrophobicContact CG1-CD2 3.94Å; V92-L104 HydrophobicContact CG1-CG 3.89Å; V92-A105 HydrophobicContact CG2-CB 4.44Å; V92-V108 HydrophobicContact CG1-CG2 3.95Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.37Å; V92-A122 HydrophobicContact CG1-CB 4.24Å; V92-P201 WeakPolarHBondContact O-CB 3.35Å
93S98.9Very high98.8Very high4 Ų434 Ų343%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-138.2150.6177.757.70000113.2M77 D78 V95 F116 L117 T118 D119M77-S93 CarbonylContact O-C 3.43Å; D78-S93 WeakPolarHBondContact OD1-CA 3.49Å; D78-S93 WeakPolarHBondContact OD1-CB 3.41Å; S93-V95 PolarHBondContact O-N 2.87Å; S93-V95 VanDerWaalsContact O-N 3.15Å; S93-F116 WeakPolarHBondContact OG-CE2 3.29Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å; S93-L117 PolarHBondContact N-O 2.84Å; S93-T118 WeakPolarHBondContact O-CA 3.43Å; S93-T118 PolarHBondContact O-OG1 2.87Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.38Å; S93-T118 PolarHBondContact OG-OG1 3.44Å; S93-D119 PolarHBondContact O-N 2.89Å
94A98.8Very high98.8Very high4 Ų432.4 Ų32.43%0.03317%0.168CC..EExtended strand (participates in β ladder)trans50.831.7-17700000113.5M77 D78 D119M77-A94 PolarHBondContact O-N 3.23Å; D78-A94 PolarHBondContact OD1-N 3.1Å; A94-D119 HydrophobicContact CB-CB 4.41Å
95V98.8Very high98.8Very high5 Ų532.4 Ų32.43%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-77.5147.8178.2-63.60000110.9M77 V92 S93 I98 P101 L104 A122M77-V95 HydrophobicContact CB-CG2 4.13Å; M77-V95 PolarHBondContact N-O 3.3Å; M77-V95 WeakPolarHBondContact O-CG2 3.46Å; M77-V95 PolarHBondContact O-N 3.4Å; V92-V95 HydrophobicContact CB-CG1 3.76Å; V92-V95 HydrophobicContact CG1-CG1 4.46Å; V92-V95 HydrophobicContact CG2-CG1 4.05Å; V92-V95 HydrophobicContact CG2-CG2 3.99Å; S93-V95 PolarHBondContact O-N 2.87Å; S93-V95 VanDerWaalsContact O-N 3.15Å; V95-I98 HydrophobicContact CB-CD1 4.24Å; V95-I98 HydrophobicContact CG2-CD1 3.96Å; V95-I98 HydrophobicContact CG2-CG1 4.46Å; V95-P101 HydrophobicContact CG2-CB 4.08Å; V95-P101 HydrophobicContact CG2-CG 4.16Å; V95-L104 HydrophobicContact CG1-CD2 4.24Å; V95-A122 HydrophobicContact CG1-CB 3.54Å
96R98.8Very high98.8Very high78 Ų7827.5 Ų27.529%0.29415%0.146SC..  trans-134164.8-174.9-53.2-176.8-173.7-171.9-8.1110E74 E76 I98E74-R96 IonicContact OE2-CZ 3.24Å; E74-R96 VanDerWaalsContact OE2-CZ 3.24Å; E74-R96 IonicContact OE2-NH1 2.66Å; E74-R96 PolarHBondContact OE2-NH1 3.2Å; E74-R96 IonicContact OE2-NH2 2.73Å; E76-R96 HydrophobicContact CG-CG 4.17Å; E76-R96 IonicContact OE1-CZ 3.55Å; E76-R96 IonicContact OE1-NE 3.56Å; E76-R96 IonicContact OE1-NH2 3.86Å; E76-R96 PolarHBondContact OE1-NH2 3.47Å; R96-I98 PolarHBondContact O-N 2.91Å; R96-I98 VanDerWaalsContact O-N 3.07Å
97C98.5Very high98.8Very high39 Ų3924.9 Ų24.926%0.26413%0.132SC..SBendtrans55.628.1168.8-57.10000115.5E133 I134C97-E133 HydrophobicContact CB-CG 3.87Å; C97-E133 CarbonylContact O-C 3.56Å; C97-E133 WeakPolarHBondContact O-CA 3.3Å; C97-I134 WeakPolarHBondContact CA-O 3.29Å; C97-I134 VanDerWaalsContact CB-O 3.28Å; C97-I134 WeakPolarHBondContact CB-O 3.5Å; C97-I134 WeakPolarHBondContact O-CG1 3.38Å; C97-I134 PolarHBondContact O-N 2.7Å
98I98.8Very high98.8Very high10 Ų1021.4 Ų21.45%0.05111%0.113CC..  trans-129.6150171.862.1174.6000109.3M77 V95 R96 L104 V131M77-I98 HydrophobicContact CE-CG1 4.23Å; M77-I98 WeakPolarHBondContact CE-O 3.29Å; V95-I98 HydrophobicContact CB-CD1 4.24Å; V95-I98 HydrophobicContact CG2-CD1 3.96Å; V95-I98 HydrophobicContact CG2-CG1 4.46Å; R96-I98 PolarHBondContact O-N 2.91Å; R96-I98 VanDerWaalsContact O-N 3.07Å; I98-L104 HydrophobicContact CD1-CB 4.13Å; I98-L104 HydrophobicContact CD1-CD2 3.67Å; I98-V131 HydrophobicContact CB-CG1 4.27Å; I98-V131 HydrophobicContact CG2-CG1 3.87Å
99A98.7Very high98.8Very high35 Ų3520.6 Ų20.629%0.28911%0.105SC..SBendtrans-72.5-44.8179.900000112.3G64 P101 I134G64-A99 WeakPolarHBondContact CA-O 3.17Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; A99-I134 HydrophobicContact CB-CD1 4.2Å
100N98.9Very high98.9Very high30 Ų3024.3 Ų24.316%0.1612%0.121CC..  trans-126.288.3-166.9-53.8111.6000112.9E56 D57 I102 K103 L104E56-N100 WeakPolarHBondContact OE2-CA 3.42Å; E56-N100 WeakPolarHBondContact OE2-CB 3.39Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; D57-N100 PolarHBondContact OD1-ND2 3.41Å; N100-I102 PolarHBondContact O-N 3.14Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 3.78Å; N100-K103 HydrophobicContact CB-CG 3.79Å; N100-K103 PolarHBondContact O-N 2.92Å; N100-L104 PolarHBondContact O-N 3.27Å
101P98.9Very high98.8Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-52.1-37.4172.1-28.534.7000114.1E56 M77 A79 V92 V95 A99 K103 L104 A105E56-P101 VanDerWaalsContact OE1-CD 3.3Å; E56-P101 WeakPolarHBondContact OE1-CD 3.45Å; M77-P101 HydrophobicContact CB-CB 4.32Å; M77-P101 HydrophobicContact CB-CG 3.56Å; M77-P101 HydrophobicContact CE-CG 3.77Å; M77-P101 HydrophobicContact CG-CG 4.13Å; M77-P101 HydrophobicContact SD-CG 3.54Å; M77-P101 VanDerWaalsContact SD-CG 3.54Å; A79-P101 HydrophobicContact CB-CB 3.69Å; V92-P101 HydrophobicContact CG2-CB 4.37Å; V95-P101 HydrophobicContact CG2-CB 4.08Å; V95-P101 HydrophobicContact CG2-CG 4.16Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.45Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.15Å; P101-A105 PolarHBondContact O-N 3.49Å
102I98.9Very high98.8Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-64.9-34.7-177.7-161.862.9000113E49 V52 V53 E56 A79 S80 I81 N100 L104 A105 R106 A183E49-I102 HydrophobicContact CG-CG2 4.33Å; V52-I102 HydrophobicContact CB-CB 4.5Å; V52-I102 HydrophobicContact CB-CG1 4.23Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.85Å; V52-I102 HydrophobicContact CG1-CD1 4.45Å; V52-I102 HydrophobicContact CG1-CG1 3.94Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å; V53-I102 HydrophobicContact CG2-CG2 3.61Å; E56-I102 WeakPolarHBondContact OE1-CB 3.36Å; E56-I102 PolarHBondContact OE1-N 3.25Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.29Å; A79-I102 HydrophobicContact CB-CB 4.45Å; A79-I102 HydrophobicContact CB-CD1 4.08Å; S80-I102 VanDerWaalsContact O-CD1 3.22Å; S80-I102 WeakPolarHBondContact O-CD1 3.33Å; I81-I102 HydrophobicContact CB-CD1 4.08Å; N100-I102 PolarHBondContact O-N 3.14Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-A105 WeakPolarHBondContact O-CB 3.22Å; I102-A105 PolarHBondContact O-N 3.49Å; I102-R106 PolarHBondContact O-N 3.06Å; I102-A183 HydrophobicContact CD1-CB 3.7Å; I102-A183 HydrophobicContact CG1-CB 3.95Å
103K98.9Very high98.8Very high101 Ų10137.5 Ų37.544%0.43919%0.194SC..Hα-helixtrans-68.4-37175.9-61.1-174.168.2175.20111.2E49 V53 N100 P101 R106 L107E49-K103 HydrophobicContact CG-CG 4.46Å; E49-K103 WeakPolarHBondContact OE1-CG 3.49Å; V53-K103 HydrophobicContact CG2-CD 3.91Å; V53-K103 HydrophobicContact CG2-CG 3.67Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 3.78Å; N100-K103 HydrophobicContact CB-CG 3.79Å; N100-K103 PolarHBondContact O-N 2.92Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.45Å; K103-R106 PolarHBondContact O-N 3.02Å; K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.07Å
104L98.9Very high98.8Very high2 Ų242.4 Ų42.41%0.0122%0.216CC..Hα-helixtrans-67.2-39.9173.9-174.863.3000111.2V92 V95 I98 N100 P101 I102 R106 L107 V108 A122 F125 A126 V131V92-L104 HydrophobicContact CG1-CD2 3.94Å; V92-L104 HydrophobicContact CG1-CG 3.89Å; V95-L104 HydrophobicContact CG1-CD2 4.24Å; I98-L104 HydrophobicContact CD1-CB 4.13Å; I98-L104 HydrophobicContact CD1-CD2 3.67Å; N100-L104 PolarHBondContact O-N 3.27Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.15Å; I102-L104 VanDerWaalsContact C-N 3.34Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.91Å; L104-L107 HydrophobicContact CD1-CD1 4.37Å; L104-L107 WeakPolarHBondContact O-CB 3.06Å; L104-L107 PolarHBondContact O-N 3.42Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; L104-A122 HydrophobicContact CD2-CB 4.48Å; L104-F125 HydrophobicContact CD1-CD1 3.76Å; L104-F125 HydrophobicContact CD1-CE1 4.05Å; L104-A126 HydrophobicContact CD1-CB 3.75Å; L104-A126 HydrophobicContact CD2-CB 3.94Å; L104-V131 HydrophobicContact CD1-CG2 4.42Å
105A98.9Very high98.8Very high0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-58.2-44.5172.500000111.3A79 I81 G90 V92 P101 I102 L107 V108 M109A79-A105 HydrophobicContact CB-CB 4.37Å; I81-A105 HydrophobicContact CG2-CB 4.33Å; G90-A105 VanDerWaalsContact CA-O 3.27Å; G90-A105 WeakPolarHBondContact CA-O 3.45Å; V92-A105 HydrophobicContact CG2-CB 4.44Å; P101-A105 PolarHBondContact O-N 3.49Å; I102-A105 WeakPolarHBondContact O-CB 3.22Å; I102-A105 PolarHBondContact O-N 3.49Å; A105-L107 PolarHBondContact O-N 2.84Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 PolarHBondContact O-N 2.91Å; A105-V108 VanDerWaalsContact O-N 3.14Å; A105-M109 PolarHBondContact O-N 3.17Å; A105-M109 VanDerWaalsContact O-N 3.11Å
106R98.9Very high98.8Very high38 Ų3849.6 Ų49.614%0.14325%0.254CS..Hα-helixtrans-61.3-40.4173.8-172.3177.1-179.6165.65.3113D46 E49 I81 I102 K103 L104 V108 M109 E110D46-R106 IonicContact OD1-CZ 3.2Å; D46-R106 IonicContact OD1-NH1 2.65Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.89Å; D46-R106 PolarHBondContact OD1-NH2 2.85Å; E49-R106 VanDerWaalsContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE1-CD 3.32Å; E49-R106 WeakPolarHBondContact OE2-CD 3.48Å; E49-R106 IonicContact OE2-CZ 3.41Å; E49-R106 IonicContact OE2-NE 3.17Å; E49-R106 IonicContact OE2-NH1 3.25Å; E49-R106 PolarHBondContact OE2-NH1 3.07Å; I81-R106 HydrophobicContact CD1-CB 4.5Å; I81-R106 HydrophobicContact CG2-CB 4.24Å; I102-R106 PolarHBondContact O-N 3.06Å; K103-R106 PolarHBondContact O-N 3.02Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.91Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 3.25Å; R106-M109 HydrophobicContact CG-CE 4.29Å; R106-M109 WeakPolarHBondContact O-CB 3.45Å; R106-M109 PolarHBondContact O-N 2.81Å; R106-E110 IonicContact CZ-OE1 2.7Å; R106-E110 IonicContact NE-OE1 2.73Å; R106-E110 PolarHBondContact NE-OE1 2.67Å; R106-E110 IonicContact NH2-OE1 2.73Å; R106-E110 PolarHBondContact NH2-OE1 3.47Å; R106-E110 PolarHBondContact O-N 2.77Å
107L98.9Very high98.8Very high44 Ų4447.6 Ų47.623%0.2325%0.249CC..Hα-helixtrans-61.9-37.6174.1-72.1169.7000112.1K103 L104 A105 M109 E110 K111 F125 M129 V131K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.07Å; L104-L107 HydrophobicContact CD1-CD1 4.37Å; L104-L107 WeakPolarHBondContact O-CB 3.06Å; L104-L107 PolarHBondContact O-N 3.42Å; A105-L107 PolarHBondContact O-N 2.84Å; L107-M109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.08Å; L107-K111 HydrophobicContact CD2-CG 3.98Å; L107-K111 WeakPolarHBondContact O-CA 3.43Å; L107-K111 VanDerWaalsContact O-CB 3.22Å; L107-K111 WeakPolarHBondContact O-CB 3.42Å; L107-K111 PolarHBondContact O-N 2.9Å; L107-F125 HydrophobicContact CB-CE1 3.86Å; L107-F125 HydrophobicContact CB-CZ 4.14Å; L107-M129 HydrophobicContact CD1-CB 3.92Å; L107-M129 HydrophobicContact CD1-CG 4.21Å; L107-V131 HydrophobicContact CD1-CG2 3.86Å
108V98.9Very high98.8Very high0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-58.8-48.2173.1171.80000110.2V92 L104 A105 R106 E110 T112 H114 L117 F125V92-V108 HydrophobicContact CG1-CG2 3.95Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 PolarHBondContact O-N 2.91Å; A105-V108 VanDerWaalsContact O-N 3.14Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 3.25Å; V108-E110 PolarHBondContact O-N 2.98Å; V108-T112 WeakPolarHBondContact O-CB 3.38Å; V108-T112 PolarHBondContact O-N 3.31Å; V108-T112 PolarHBondContact O-OG1 2.87Å; V108-H114 WeakPolarHBondContact CG1-O 3.38Å; V108-L117 HydrophobicContact CG1-CG 4.4Å; V108-L117 HydrophobicContact CG2-CB 4.42Å; V108-L117 HydrophobicContact CG2-CD1 3.85Å; V108-L117 HydrophobicContact CG2-CG 4.02Å; V108-F125 HydrophobicContact CG2-CD1 3.99Å; V108-F125 HydrophobicContact CG2-CE1 3.75Å
109M98.8Very high98.8Very high27 Ų2752.1 Ų52.113%0.13327%0.274CS..Hα-helixtrans-57.8-46.1179.3-171.7175.773.900113V45 I81 A105 R106 L107V45-M109 HydrophobicContact CG1-CE 4.01Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; A105-M109 PolarHBondContact O-N 3.17Å; A105-M109 VanDerWaalsContact O-N 3.11Å; R106-M109 HydrophobicContact CG-CE 4.29Å; R106-M109 WeakPolarHBondContact O-CB 3.45Å; R106-M109 PolarHBondContact O-N 2.81Å; L107-M109 VanDerWaalsContact C-N 3.34Å
110E98.8Very high98.8Very high93 Ų9357.2 Ų57.244%0.43529%0.292SS..Hα-helixtrans-96.9-22.7-169-66.4-179.5-174.200114.4R106 L107 V108R106-E110 IonicContact CZ-OE1 2.7Å; R106-E110 IonicContact NE-OE1 2.73Å; R106-E110 PolarHBondContact NE-OE1 2.67Å; R106-E110 IonicContact NH2-OE1 2.73Å; R106-E110 PolarHBondContact NH2-OE1 3.47Å; R106-E110 PolarHBondContact O-N 2.77Å; L107-E110 PolarHBondContact O-N 3.08Å; V108-E110 PolarHBondContact O-N 2.98Å
111K98.8Very high98.8Very high127 Ų12757.4 Ų57.455%0.55230%0.301SS*.Hα-helixtrans-116.25.3-170.8-50.7-60.4178.5-1640113.5L107 F125 M129L107-K111 HydrophobicContact CD2-CG 3.98Å; L107-K111 WeakPolarHBondContact O-CA 3.43Å; L107-K111 VanDerWaalsContact O-CB 3.22Å; L107-K111 WeakPolarHBondContact O-CB 3.42Å; L107-K111 PolarHBondContact O-N 2.9Å; K111-F125 HydrophobicContact CB-CZ 4.18Å; K111-M129 HydrophobicContact CB-SD 4.1Å; K111-M129 HydrophobicContact CG-SD 4.2Å
112T98.8Very high98.8Very high28 Ų2857.4 Ų57.417%0.17230%0.301CS..SBendtrans-137.3158.9177.184.70000111V108 H114 F125V108-T112 WeakPolarHBondContact O-CB 3.38Å; V108-T112 PolarHBondContact O-N 3.31Å; V108-T112 PolarHBondContact O-OG1 2.87Å; T112-H114 PolarHBondContact O-N 3.29Å; T112-H114 PolarHBondContact OG1-N 3.09Å; T112-H114 VanDerWaalsContact OG1-N 3.08Å; T112-H114 PolarHBondContact OG1-O 2.84Å; T112-F125 HydrophobicContact CG2-CD2 4.12Å; T112-F125 HydrophobicContact CG2-CE1 4.11Å; T112-F125 HydrophobicContact CG2-CE2 3.38Å; T112-F125 HydrophobicContact CG2-CZ 3.37Å
113P98.6Very high98.8Very high123 Ų12360.1 Ų60.180%0.79932%0.324SS*.SBendtrans-82.915.7169.235.8-35.8000112.6
114H98.8Very high98.8Very high107 Ų10762 Ų6250%0.49533%0.334SS..  trans-120.4153.4-173.5-54.5-48.9000110.6V108 T112V108-H114 WeakPolarHBondContact CG1-O 3.38Å; T112-H114 PolarHBondContact O-N 3.29Å; T112-H114 PolarHBondContact OG1-N 3.09Å; T112-H114 VanDerWaalsContact OG1-N 3.08Å; T112-H114 PolarHBondContact OG1-O 2.84Å
115C98.8Very high98.8Very high75 Ų7563.2 Ų63.251%0.50734%0.339SS..SBendtrans-97.9-17.2179.7-54.20000113.4V89 G90 A91V89-C115 HydrophobicContact CB-CB 4.13Å; V89-C115 HydrophobicContact CG1-CB 3.97Å; G90-C115 CarbonylContact C-O 3.56Å; G90-C115 WeakPolarHBondContact CA-O 3.42Å; A91-C115 PolarHBondContact N-O 3.25Å
116F98.9Very high98.8Very high84 Ų8463.4 Ų63.437%0.36834%0.341SS..EExtended strand (participates in β ladder)trans-153.2123-169.5-164.4176.1000111.8A91 S93 P201A91-F116 HydrophobicContact CB-CB 4.16Å; A91-F116 HydrophobicContact CB-CD1 4.37Å; A91-F116 HydrophobicContact CB-CD2 3.68Å; A91-F116 HydrophobicContact CB-CE2 4.19Å; A91-F116 HydrophobicContact CB-CG 3.82Å; A91-F116 WeakPolarHBondContact O-CA 3.29Å; A91-F116 WeakPolarHBondContact O-CD2 3.12Å; S93-F116 WeakPolarHBondContact OG-CE2 3.29Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å; F116-P201 HydrophobicContact CE1-CB 4.22Å; F116-P201 HydrophobicContact CE1-CG 4.45Å; F116-P201 HydrophobicContact CE2-CB 3.88Å; F116-P201 HydrophobicContact CE2-CG 4.46Å; F116-P201 HydrophobicContact CZ-CB 3.56Å; F116-P201 HydrophobicContact CZ-CG 3.77Å
117L98.9Very high98.8Very high36 Ų3665 Ų6519%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-116.2154.6169.8-58.8-178.2000111A91 V92 S93 V108 A122 F125A91-L117 PolarHBondContact O-N 2.62Å; A91-L117 VanDerWaalsContact O-N 3.12Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.37Å; S93-L117 PolarHBondContact N-O 2.84Å; V108-L117 HydrophobicContact CG1-CG 4.4Å; V108-L117 HydrophobicContact CG2-CB 4.42Å; V108-L117 HydrophobicContact CG2-CD1 3.85Å; V108-L117 HydrophobicContact CG2-CG 4.02Å; L117-A122 HydrophobicContact CB-CB 3.91Å; L117-F125 HydrophobicContact CD1-CB 3.69Å; L117-F125 HydrophobicContact CD1-CD1 3.7Å; L117-F125 HydrophobicContact CD1-CD2 4.45Å; L117-F125 HydrophobicContact CD1-CE1 4.48Å; L117-F125 HydrophobicContact CD1-CG 3.69Å
118T98.9Very high98.8Very high74 Ų7466.5 Ų66.545%0.45438%0.38SS..EExtended strand (participates in β ladder)trans-134151.1179.7-169.60000111.9S93 Q120 G121 A122S93-T118 WeakPolarHBondContact O-CA 3.43Å; S93-T118 PolarHBondContact O-OG1 2.87Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.38Å; S93-T118 PolarHBondContact OG-OG1 3.44Å; T118-Q120 PolarHBondContact O-N 2.93Å; T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 VanDerWaalsContact O-N 3.08Å; T118-A122 PolarHBondContact O-N 3.28Å
119D98.8Very high98.8Very high70 Ų7070.3 Ų70.337%0.37440%0.399SS..Hα-helixtrans42.8-116.7166.7-174.617.7000112.7S93 A94 G121 A122 A123S93-D119 PolarHBondContact O-N 2.89Å; A94-D119 HydrophobicContact CB-CB 4.41Å; D119-G121 VanDerWaalsContact C-N 3.33Å; D119-G121 PolarHBondContact O-N 2.94Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.16Å; D119-A123 PolarHBondContact O-N 3.26Å
120Q98.7Very high98.8Very high142 Ų14271.9 Ų71.966%0.66442%0.422SS*.Hα-helixtrans-57.9-42-175.5-63179.7-18.400113.2T118 A123 Q124T118-Q120 PolarHBondContact O-N 2.93Å; Q120-A123 PolarHBondContact O-N 2.93Å; Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.31Å; Q120-Q124 PolarHBondContact O-N 3.46Å
121G98.8Very high98.7Very high35 Ų3569.3 Ų69.336%0.36141%0.413SS..Hα-helixtrans-68.8-38.4-179.700000112T118 D119 F125T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 VanDerWaalsContact O-N 3.08Å; D119-G121 VanDerWaalsContact C-N 3.33Å; D119-G121 PolarHBondContact O-N 2.94Å; G121-F125 WeakPolarHBondContact O-CB 3.05Å; G121-F125 PolarHBondContact O-N 3.11Å
122A98.9Very high98.7Very high0 Ų067.8 Ų67.80%042%0.416CS..Hα-helixtrans-67-39.1174.800000111.7V92 V95 L104 L117 T118 D119 F125 A126V92-A122 HydrophobicContact CG1-CB 4.24Å; V95-A122 HydrophobicContact CG1-CB 3.54Å; L104-A122 HydrophobicContact CD2-CB 4.48Å; L117-A122 HydrophobicContact CB-CB 3.91Å; T118-A122 PolarHBondContact O-N 3.28Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.16Å; A122-F125 PolarHBondContact O-N 2.73Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.47Å
123A98.6Very high98.7Very high57 Ų5774.3 Ų74.347%0.47145%0.445SS..Hα-helixtrans-65.2-4417600000112.5D119 Q120 F125 A126 A127D119-A123 PolarHBondContact O-N 3.26Å; Q120-A123 PolarHBondContact O-N 2.93Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.82Å; A123-A126 WeakPolarHBondContact O-CB 3.41Å; A123-A126 PolarHBondContact O-N 2.79Å; A123-A127 PolarHBondContact O-N 2.86Å
124Q98.9Very high98.7Very high140 Ų14070 Ų7065%0.65442%0.415SS*.Hα-helixtrans-61.3-41.6174.7-72.1170.711.400111.6Q120 A127 A128Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.31Å; Q120-Q124 PolarHBondContact O-N 3.46Å; Q124-A127 PolarHBondContact O-N 3.02Å; Q124-A128 PolarHBondContact O-N 2.95Å
125F98.9Very high98.7Very high28 Ų2868.2 Ų68.212%0.12341%0.413CS..Hα-helixtrans-65.4-42175.7177.8-112.9000112.1L104 L107 V108 K111 T112 L117 G121 A122 A123 A127 A128 M129L104-F125 HydrophobicContact CD1-CD1 3.76Å; L104-F125 HydrophobicContact CD1-CE1 4.05Å; L107-F125 HydrophobicContact CB-CE1 3.86Å; L107-F125 HydrophobicContact CB-CZ 4.14Å; V108-F125 HydrophobicContact CG2-CD1 3.99Å; V108-F125 HydrophobicContact CG2-CE1 3.75Å; K111-F125 HydrophobicContact CB-CZ 4.18Å; T112-F125 HydrophobicContact CG2-CD2 4.12Å; T112-F125 HydrophobicContact CG2-CE1 4.11Å; T112-F125 HydrophobicContact CG2-CE2 3.38Å; T112-F125 HydrophobicContact CG2-CZ 3.37Å; L117-F125 HydrophobicContact CD1-CB 3.69Å; L117-F125 HydrophobicContact CD1-CD1 3.7Å; L117-F125 HydrophobicContact CD1-CD2 4.45Å; L117-F125 HydrophobicContact CD1-CE1 4.48Å; L117-F125 HydrophobicContact CD1-CG 3.69Å; G121-F125 WeakPolarHBondContact O-CB 3.05Å; G121-F125 PolarHBondContact O-N 3.11Å; A122-F125 PolarHBondContact O-N 2.73Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.82Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 3.01Å; F125-A128 PolarHBondContact O-N 3.02Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.15Å; F125-M129 HydrophobicContact CE1-CG 4.02Å; F125-M129 HydrophobicContact CE2-CE 4.01Å; F125-M129 HydrophobicContact CE2-CG 3.65Å; F125-M129 HydrophobicContact CE2-SD 3.94Å; F125-M129 HydrophobicContact CZ-CG 3.57Å; F125-M129 HydrophobicContact CZ-SD 4.01Å; F125-M129 WeakPolarHBondContact O-CG 3.39Å; F125-M129 PolarHBondContact O-N 3.48Å
126A98.8Very high98.5Very high4 Ų465.9 Ų65.93%0.03340%0.401CS..Hα-helixtrans-57.1-45.6174.600000111.4L104 A122 A123 M129 G130 V131L104-A126 HydrophobicContact CD1-CB 3.75Å; L104-A126 HydrophobicContact CD2-CB 3.94Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.47Å; A123-A126 WeakPolarHBondContact O-CB 3.41Å; A123-A126 PolarHBondContact O-N 2.79Å; A126-M129 PolarHBondContact O-N 2.85Å; A126-G130 PolarHBondContact O-N 3.19Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG2 4.32Å; A126-V131 WeakPolarHBondContact O-CB 3.41Å; A126-V131 PolarHBondContact O-N 2.85Å
127A98.6Very high98.4Very high72 Ų7269 Ų6960%0.59542%0.417SS*.Hα-helixtrans-61.8-44175.400000112.2A123 Q124 F125 M129 G130A123-A127 PolarHBondContact O-N 2.86Å; Q124-A127 PolarHBondContact O-N 3.02Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 3.01Å; A127-M129 PolarHBondContact O-N 3.43Å; A127-G130 PolarHBondContact O-N 2.78Å
128A98.6Very high98.4Very high74 Ų7474 Ų7461%0.61244%0.437SS*.Hα-helixtrans-62.8-30.7177.400000113Q124 F125 G130Q124-A128 PolarHBondContact O-N 2.95Å; F125-A128 PolarHBondContact O-N 3.02Å; A128-G130 VanDerWaalsContact C-N 3.32Å
129M98.7Very high98.3Very high80 Ų8070.6 Ų70.639%0.39442%0.416SS..THydrogen-bonded Turntrans-85.7-0.9175.9-64.9-61.999.800113.5L107 K111 F125 A126 A127 V131L107-M129 HydrophobicContact CD1-CB 3.92Å; L107-M129 HydrophobicContact CD1-CG 4.21Å; K111-M129 HydrophobicContact CB-SD 4.1Å; K111-M129 HydrophobicContact CG-SD 4.2Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.15Å; F125-M129 HydrophobicContact CE1-CG 4.02Å; F125-M129 HydrophobicContact CE2-CE 4.01Å; F125-M129 HydrophobicContact CE2-CG 3.65Å; F125-M129 HydrophobicContact CE2-SD 3.94Å; F125-M129 HydrophobicContact CZ-CG 3.57Å; F125-M129 HydrophobicContact CZ-SD 4.01Å; F125-M129 WeakPolarHBondContact O-CG 3.39Å; F125-M129 PolarHBondContact O-N 3.48Å; A126-M129 PolarHBondContact O-N 2.85Å; A127-M129 PolarHBondContact O-N 3.43Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.35Å
130G98.5Very high98.3Very high60 Ų6068.7 Ų68.762%0.61941%0.407SS*.THydrogen-bonded Turntrans73.323.4-179.300000114.2A126 A127 A128 P132A126-G130 PolarHBondContact O-N 3.19Å; A127-G130 PolarHBondContact O-N 2.78Å; A128-G130 VanDerWaalsContact C-N 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.41Å
131V98.6Very high98.2Very high39 Ų3963.1 Ų63.124%0.23638%0.383CS..PPolyproline II helixtrans-68.8126.5172.9179.60000108.7I98 L104 L107 A126 M129 E133I98-V131 HydrophobicContact CB-CG1 4.27Å; I98-V131 HydrophobicContact CG2-CG1 3.87Å; L104-V131 HydrophobicContact CD1-CG2 4.42Å; L107-V131 HydrophobicContact CD1-CG2 3.86Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG2 4.32Å; A126-V131 WeakPolarHBondContact O-CB 3.41Å; A126-V131 PolarHBondContact O-N 2.85Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.35Å; V131-E133 PolarHBondContact O-N 2.83Å
132P98.3Very high98.1Very high96 Ų9666.9 Ų66.962%0.62339%0.391SS*.PPolyproline II helixtrans-63.4127.9-179.2-23.634000112.4G130G130-P132 WeakPolarHBondContact O-CD 3.41Å
133E98.3Very high97.8Very high165 Ų16569.5 Ų69.577%0.77140%0.402SS*.PPolyproline II helixtrans-76128.9164.9-169.4-179.4170.900109.3C97 V131C97-E133 HydrophobicContact CB-CG 3.87Å; C97-E133 CarbonylContact O-C 3.56Å; C97-E133 WeakPolarHBondContact O-CA 3.3Å; V131-E133 PolarHBondContact O-N 2.83Å
134I98.3Very high97.7Very high32 Ų3266.8 Ų66.816%0.16438%0.38CS..  trans-117.7147.9178.559.8168000110.8C97 A99 G136 K138 L139C97-I134 WeakPolarHBondContact CA-O 3.29Å; C97-I134 VanDerWaalsContact CB-O 3.28Å; C97-I134 WeakPolarHBondContact CB-O 3.5Å; C97-I134 WeakPolarHBondContact O-CG1 3.38Å; C97-I134 PolarHBondContact O-N 2.7Å; A99-I134 HydrophobicContact CB-CD1 4.2Å; I134-G136 PolarHBondContact O-N 3.31Å; I134-K138 HydrophobicContact CB-CD 4.36Å; I134-K138 HydrophobicContact CD1-CB 4.42Å; I134-L139 HydrophobicContact CD1-CD1 4.43Å; I134-L139 HydrophobicContact CD1-CD2 3.76Å; I134-L139 HydrophobicContact CD1-CG 3.96Å
135P98.1Very high97.6Very high70 Ų7064.1 Ų64.146%0.45537%0.366SS..  trans-55.6133.8172.5-24.233.2000111.2E137 K138P135-E137 PolarHBondContact O-N 3.05Å; P135-E137 VanDerWaalsContact O-N 3.15Å; P135-K138 HydrophobicContact CB-CG 4.47Å; P135-K138 WeakPolarHBondContact O-CB 3.45Å; P135-K138 PolarHBondContact O-N 2.98Å
136G95.7Very high97.4Very high26 Ų2669.4 Ų69.427%0.26839%0.389SS..G310 helixtrans-56.9-31.8-177.300000113I134 K138 L139 V140I134-G136 PolarHBondContact O-N 3.31Å; G136-K138 PolarHBondContact O-N 3.31Å; G136-K138 VanDerWaalsContact O-N 3.14Å; G136-L139 WeakPolarHBondContact O-CB 3.39Å; G136-L139 PolarHBondContact O-N 3.46Å; G136-V140 PolarHBondContact O-N 3.17Å
137E96.9Very high97.1Very high149 Ų14972.3 Ų72.370%0.69640%0.399SS*.G310 helixtrans-59.7-25.5177-63.776-167.500113.1P135 L139 V140P135-E137 PolarHBondContact O-N 3.05Å; P135-E137 VanDerWaalsContact O-N 3.15Å; E137-L139 PolarHBondContact O-N 3.18Å; E137-V140 PolarHBondContact O-N 2.7Å
138K97.8Very high96.9Very high140 Ų14069.4 Ų69.461%0.60937%0.374SS*.G310 helixtrans-67.8-24.4175.7-68.4-168.4178.7178.20112.9C65 I134 P135 G136C65-K138 PolarHBondContact SG-O 2.95Å; I134-K138 HydrophobicContact CB-CD 4.36Å; I134-K138 HydrophobicContact CD1-CB 4.42Å; P135-K138 HydrophobicContact CB-CG 4.47Å; P135-K138 WeakPolarHBondContact O-CB 3.45Å; P135-K138 PolarHBondContact O-N 2.98Å; G136-K138 PolarHBondContact O-N 3.31Å; G136-K138 VanDerWaalsContact O-N 3.14Å
139L98.1Very high96.7Very high3 Ų371.4 Ų71.42%0.01637%0.37CS..THydrogen-bonded Turntrans-87.9-21.5177.2-60.5174.3000112C65 G66 V75 M77 I134 G136 E137C65-L139 HydrophobicContact CB-CD2 4.35Å; G66-L139 PolarHBondContact N-O 2.97Å; V75-L139 HydrophobicContact CB-CB 4.27Å; V75-L139 HydrophobicContact CB-CD1 4.45Å; V75-L139 HydrophobicContact CG1-CB 4.25Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.05Å; M77-L139 HydrophobicContact CE-CD1 3.74Å; M77-L139 HydrophobicContact SD-CD1 4.38Å; I134-L139 HydrophobicContact CD1-CD1 4.43Å; I134-L139 HydrophobicContact CD1-CD2 3.76Å; I134-L139 HydrophobicContact CD1-CG 3.96Å; G136-L139 WeakPolarHBondContact O-CB 3.39Å; G136-L139 PolarHBondContact O-N 3.46Å; E137-L139 PolarHBondContact O-N 3.18Å
140V98.1Very high96.3Very high31 Ų3173.6 Ų73.619%0.18838%0.378CS..  trans-84.1132.7-175.3178.90000110.8L69 V75 G136 E137 K145L69-V140 HydrophobicContact CD1-CG1 4.4Å; L69-V140 HydrophobicContact CD2-CG1 4.14Å; L69-V140 HydrophobicContact CD2-CG2 3.93Å; V75-V140 HydrophobicContact CG2-CG2 4.03Å; G136-V140 PolarHBondContact O-N 3.17Å; E137-V140 PolarHBondContact O-N 2.7Å; V140-K145 HydrophobicContact CG1-CD 4.23Å; V140-K145 HydrophobicContact CG1-CG 3.76Å
141T96.8Very high95.8Very high24 Ų2472 Ų7215%0.14735%0.354CS..  trans-110.5148.5173.165.40000111.6P59 K143 N144 K145P59-T141 HydrophobicContact CB-CG2 4.11Å; T141-K143 PolarHBondContact O-N 3.21Å; T141-N144 PolarHBondContact O-N 3.41Å; T141-N144 PolarHBondContact OG1-N 3.4Å; T141-N144 PolarHBondContact OG1-ND2 2.85Å; T141-K145 PolarHBondContact O-N 3.14Å
142E96.8Very high95.3Very high114 Ų11475.1 Ų75.153%0.53336%0.364SS..Hα-helixtrans-56.8-31.9173-69.7-55.5128.700112.4N144 K145 K146E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 2.98Å; E142-K145 WeakPolarHBondContact OE1-CD 3.4Å; E142-K145 WeakPolarHBondContact OE1-CE 3.43Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.21Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å
143K93.3Very high94.7Very high55 Ų5578.2 Ų78.224%0.23937%0.37CS..Hα-helixtrans-56.5-46.7172179.1-176.867.1-1740111.3P59 E60 T141 R147P59-K143 PolarHBondContact O-NZ 3.32Å; E60-K143 PolarHBondContact O-NZ 3.18Å; E60-K143 IonicContact OE2-NZ 3.62Å; E60-K143 PolarHBondContact OE2-NZ 3.49Å; T141-K143 PolarHBondContact O-N 3.21Å; K143-R147 WeakPolarHBondContact O-CD 3.32Å; K143-R147 VanDerWaalsContact O-CG 3.29Å; K143-R147 WeakPolarHBondContact O-CG 3.22Å; K143-R147 PolarHBondContact O-N 3.34Å
144N95Very high93.6Very high0 Ų074 Ų740%035%0.351CS..Hα-helixtrans-80.8-28.5-176.5-70.1-25000113.3G66 S67 L69 T141 E142 R147 L148G66-N144 PolarHBondContact O-ND2 3.48Å; S67-N144 PolarHBondContact O-ND2 3.35Å; L69-N144 HydrophobicContact CG-CB 4.21Å; T141-N144 PolarHBondContact O-N 3.41Å; T141-N144 PolarHBondContact OG1-N 3.4Å; T141-N144 PolarHBondContact OG1-ND2 2.85Å; E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact O-N 3.28Å; N144-R147 WeakPolarHBondContact OD1-CD 3.34Å; N144-R147 PolarHBondContact OD1-NH1 3.48Å; N144-L148 PolarHBondContact O-N 3.11Å
145K96.9Very high91.7Very high84 Ų8477.8 Ų77.837%0.36537%0.366SS..Hα-helixtrans-57.4-53.3168.2-68.5-177.7-175.2168.30111.3L69 V140 T141 E142 R147 L148 E149L69-K145 HydrophobicContact CD1-CG 4.19Å; V140-K145 HydrophobicContact CG1-CD 4.23Å; V140-K145 HydrophobicContact CG1-CG 3.76Å; T141-K145 PolarHBondContact O-N 3.14Å; E142-K145 WeakPolarHBondContact OE1-CD 3.4Å; E142-K145 WeakPolarHBondContact OE1-CE 3.43Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.21Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.26Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-E149 WeakPolarHBondContact O-CG 3.32Å; K145-E149 PolarHBondContact O-N 2.91Å
146K95Very high89.3Confident140 Ų14078.2 Ų78.261%0.60938%0.383SS*.Hα-helixtrans-58.9-36.7177.2-70.3178.4-178.3179.80112.9E142 K150E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.42Å; K146-K150 PolarHBondContact O-N 3.4Å
147R91.9Very high86.6Confident64 Ų6480.2 Ų80.224%0.24240%0.397CS..Hα-helixtrans-66.1-43.6176.2-76.3163.9166.2179.6-4.8111.9K143 N144 K145 K150 E151 L166 I190K143-R147 WeakPolarHBondContact O-CD 3.32Å; K143-R147 VanDerWaalsContact O-CG 3.29Å; K143-R147 WeakPolarHBondContact O-CG 3.22Å; K143-R147 PolarHBondContact O-N 3.34Å; N144-R147 PolarHBondContact O-N 3.28Å; N144-R147 WeakPolarHBondContact OD1-CD 3.34Å; N144-R147 PolarHBondContact OD1-NH1 3.48Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.26Å; R147-K150 PolarHBondContact O-N 3.42Å; R147-E151 VanDerWaalsContact O-CB 3.29Å; R147-E151 WeakPolarHBondContact O-CB 3.28Å; R147-E151 PolarHBondContact O-N 2.97Å; R147-L166 VanDerWaalsContact CZ-CD2 3.4Å; R147-L166 VanDerWaalsContact NH1-CD2 3.26Å; R147-L166 VanDerWaalsContact NH2-CD2 3.34Å; R147-I190 HydrophobicContact CB-CD1 4.21Å; R147-I190 HydrophobicContact CB-CG1 4.38Å
148L94.3Very high83.7Confident12 Ų1282.7 Ų82.76%0.06341%0.409CS..Hα-helixtrans-64.2-46.3177.6-179.662.8000111.3L69 N70 N144 K145 K150 E151 K152 I190 N191L69-L148 HydrophobicContact CB-CB 4.31Å; L69-L148 HydrophobicContact CB-CD2 3.8Å; L69-L148 HydrophobicContact CB-CG 4.48Å; L69-L148 HydrophobicContact CD1-CB 4.22Å; L69-L148 HydrophobicContact CD1-CD2 4.01Å; N70-L148 WeakPolarHBondContact O-CD1 3.42Å; N70-L148 WeakPolarHBondContact O-CD2 3.3Å; N144-L148 PolarHBondContact O-N 3.11Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-K150 PolarHBondContact O-N 3.22Å; L148-E151 PolarHBondContact O-N 3.44Å; L148-K152 HydrophobicContact CD1-CG 4.34Å; L148-K152 HydrophobicContact CG-CD 4.41Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.26Å; L148-I190 HydrophobicContact CB-CD1 4Å; L148-I190 HydrophobicContact CD1-CD1 4.36Å; L148-N191 HydrophobicContact CD1-CB 3.63Å
149E94.4Very high81.1Confident116 Ų11683.4 Ų83.454%0.54241%0.412SS..Hα-helixtrans-56.3-51.4176.5-71.1170.5178.100110.9K145 E151 K152 H153K145-E149 WeakPolarHBondContact O-CG 3.32Å; K145-E149 PolarHBondContact O-N 2.91Å; E149-E151 PolarHBondContact O-N 3.13Å; E149-K152 PolarHBondContact O-N 3.3Å; E149-H153 PolarHBondContact O-CD2 3.34Å; E149-H153 PolarHBondContact O-N 3.18Å
150K91.3Very high78.5Confident126 Ų12690 Ų9055%0.54845%0.453SS..Hα-helixtrans-57.9-46.4177.2-177177.7174.1-179.60112K146 R147 L148 K152 H153 E154K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.42Å; K146-K150 PolarHBondContact O-N 3.4Å; R147-K150 PolarHBondContact O-N 3.42Å; L148-K150 PolarHBondContact O-N 3.22Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.24Å; K150-H153 PolarHBondContact O-N 3.48Å; K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.35Å; K150-E154 IonicContact NZ-OE1 2.7Å; K150-E154 WeakPolarHBondContact O-CB 3.48Å; K150-E154 WeakPolarHBondContact O-CG 3.29Å; K150-E154 PolarHBondContact O-N 3.19Å
151E88.5Confident76.2Confident26 Ų2691.9 Ų91.912%0.12146%0.461CS..Hα-helixtrans-63.9-38.2-179.8-173.662.2-154.900112.1R147 L148 E149 E154 K155 I190 N191R147-E151 VanDerWaalsContact O-CB 3.29Å; R147-E151 WeakPolarHBondContact O-CB 3.28Å; R147-E151 PolarHBondContact O-N 2.97Å; L148-E151 PolarHBondContact O-N 3.44Å; E149-E151 PolarHBondContact O-N 3.13Å; E151-E154 PolarHBondContact O-N 3.31Å; E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 WeakPolarHBondContact O-CG 2.75Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 WeakPolarHBondContact OE1-CE 3.18Å; E151-I190 HydrophobicContact CB-CG1 4.4Å; E151-I190 HydrophobicContact CG-CG2 4.29Å; E151-N191 HydrophobicContact CB-CB 4.4Å; E151-N191 HydrophobicContact CG-CB 3.74Å
152K88.4Confident73.9Confident104 Ų10492.8 Ų92.845%0.45247%0.468SS..Hα-helixtrans-66.1-37.7175.1-75.2-175.3176.5-173.40112.3T71 L148 E149 K150T71-K152 WeakPolarHBondContact O-CE 3.43Å; T71-K152 PolarHBondContact O-NZ 2.85Å; L148-K152 HydrophobicContact CD1-CG 4.34Å; L148-K152 HydrophobicContact CG-CD 4.41Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.26Å; E149-K152 PolarHBondContact O-N 3.3Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.24Å
153H84.3Confident71.7Confident162 Ų16292.6 Ų92.675%0.7547%0.468SS*.Hα-helixtrans-71.9-38.8175.8-73.6-63.4000112.8E149 K150E149-H153 PolarHBondContact O-CD2 3.34Å; E149-H153 PolarHBondContact O-N 3.18Å; K150-H153 PolarHBondContact O-N 3.48Å
154E75.3Confident69.7Low76 Ų7694.2 Ų94.236%0.35547%0.474SS..Hα-helixtrans-73.8-28.4-179.4-72.9-176.1176.200113.3K150 E151 G156 A157 K164K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.35Å; K150-E154 IonicContact NZ-OE1 2.7Å; K150-E154 WeakPolarHBondContact O-CB 3.48Å; K150-E154 WeakPolarHBondContact O-CG 3.29Å; K150-E154 PolarHBondContact O-N 3.19Å; E151-E154 PolarHBondContact O-N 3.31Å; E154-G156 PolarHBondContact O-N 3.13Å; E154-A157 PolarHBondContact O-N 2.73Å; E154-K164 IonicContact OE2-NZ 2.77Å; E154-K164 PolarHBondContact OE2-NZ 3.32Å
155K59.5Low68.1Low111 Ų11195.5 Ų95.548%0.48348%0.481SS..THydrogen-bonded Turntrans-66.6-2.2176.8-82.8-171.3-174.1175.70115.3E151 A157 N191E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 WeakPolarHBondContact O-CG 2.75Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 WeakPolarHBondContact OE1-CE 3.18Å; K155-A157 PolarHBondContact O-N 3.14Å; K155-N191 WeakPolarHBondContact CD-ND2 3.35Å; K155-N191 PolarHBondContact NZ-ND2 3.4Å; K155-N191 VanDerWaalsContact NZ-ND2 3.14Å
156G47.3Very low66.6Low80 Ų8093.1 Ų93.183%0.82547%0.473SS*.THydrogen-bonded Turntrans-59.6-14.9157.500000113.3E154E154-G156 PolarHBondContact O-N 3.13Å
157A38.5Very low65.5Low68 Ų6887.1 Ų87.156%0.56245%0.45SS*.SBendtrans-122.1115.8171.300000110.4E154 K155 K159E154-A157 PolarHBondContact O-N 2.73Å; K155-A157 PolarHBondContact O-N 3.14Å; A157-K159 PolarHBondContact O-N 2.61Å
158Q35.6Very low65.5Low200 Ų20084.4 Ų84.494%0.93544%0.44SS*.  trans-55.7100.4177.8-72.9169.7-26.700112.6
159K44.1Very low65.7Low156 Ų15683.8 Ų83.868%0.67844%0.437SS*.  trans-142.5111.1159.2-75.9-167.6178.5-176.70111.5A157 D161A157-K159 PolarHBondContact O-N 2.61Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.12Å; K159-D161 VanDerWaalsContact O-N 3.13Å
160T43.7Very low65.9Low142 Ų14278.3 Ų78.387%0.87141%0.412SS*.  trans-78.773.3164.546.50000109.1C162T160-C162 PolarHBondContact O-N 2.7Å
161D50.3Low66.3Low69 Ų6972.3 Ų72.337%0.36939%0.386SS..  trans-82112.7176.1-94.2-25.5000110.3K159 E163 K164K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.12Å; K159-D161 VanDerWaalsContact O-N 3.13Å; D161-E163 PolarHBondContact O-N 3Å; D161-E163 VanDerWaalsContact O-N 3.13Å; D161-K164 HydrophobicContact CB-CD 4.43Å; D161-K164 HydrophobicContact CB-CG 4.13Å; D161-K164 PolarHBondContact O-N 3.02Å
162C47.8Very low66.8Low43 Ų4371 Ų7129%0.29138%0.38SS..G310 helixtrans-59-20.8173.3-63.30000112.3T160T160-C162 PolarHBondContact O-N 2.7Å
163E50Low67.3Low111 Ų11166.1 Ų66.152%0.51936%0.358SS..G310 helixtrans-78.8-17.8-176.4-63.4-174162.400114.3G13 D161G13-E163 WeakPolarHBondContact CA-O 3.39Å; G13-E163 PolarHBondContact N-O 3.41Å; D161-E163 PolarHBondContact O-N 3Å; D161-E163 VanDerWaalsContact O-N 3.13Å
164K52.6Low68Low88 Ų8858.4 Ų58.438%0.38332%0.323SS..G310 helixtrans-85.2-9.9-179.1-66.2-172.4-176.4-177.40113.6E154 D161E154-K164 IonicContact OE2-NZ 2.77Å; E154-K164 PolarHBondContact OE2-NZ 3.32Å; D161-K164 HydrophobicContact CB-CD 4.43Å; D161-K164 HydrophobicContact CB-CG 4.13Å; D161-K164 PolarHBondContact O-N 3.02Å
165N60.5Low69.1Low27 Ų2755 Ų5514%0.14431%0.307CS..  trans-70.5136.1-176.4-74.7-30.2000111.4A12 I189A12-N165 WeakPolarHBondContact CB-O 3.47Å; N165-I189 HydrophobicContact CB-CG2 4.35Å; N165-I189 WeakPolarHBondContact OD1-CG2 3.33Å
166L66.3Low70.9Confident35 Ų3552.1 Ų52.118%0.18330%0.304CS..  trans-88.6155.3179.6-73.3154.3000111.1N62 V68 R147 T168N62-L166 HydrophobicContact CB-CB 4.11Å; N62-L166 PolarHBondContact ND2-O 3.37Å; V68-L166 HydrophobicContact CG1-CB 3.79Å; V68-L166 HydrophobicContact CG1-CD1 3.28Å; V68-L166 HydrophobicContact CG1-CG 4.16Å; R147-L166 VanDerWaalsContact CZ-CD2 3.4Å; R147-L166 VanDerWaalsContact NH1-CD2 3.26Å; R147-L166 VanDerWaalsContact NH2-CD2 3.34Å; L166-T168 PolarHBondContact O-N 3.4Å
167G70.1Confident73.4Confident13 Ų1356.7 Ų56.713%0.13430%0.301CS..  trans-80.4114.5-160.400000118.7N62N62-G167 WeakPolarHBondContact CB-O 3.4Å
168T92.3Very high76.2Confident7 Ų754.4 Ų54.44%0.04328%0.284CS..  trans-50.3143.9157.1-64.10000110.7H8 G9 G10 L166 T184 T186 T200H8-T168 PolarHBondContact ND1-O 3.08Å; G9-T168 CarbonylContact C-O 3.03Å; G9-T168 VanDerWaalsContact O-O 3.05Å; G10-T168 PolarHBondContact N-O 3.33Å; L166-T168 PolarHBondContact O-N 3.4Å; T168-T184 HydrophobicContact CG2-CG2 3.39Å; T168-T186 WeakPolarHBondContact OG1-CB 3.31Å; T168-T186 PolarHBondContact OG1-OG1 2.78Å; T168-T200 WeakPolarHBondContact CG2-OG1 3.44Å
169V98.7Very high79.2Confident0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-109.2156.4174.2-580000110.6H8 V52 L55 F61 A63 T184 S185H8-V169 VanDerWaalsContact CE1-C 3.47Å; H8-V169 WeakPolarHBondContact O-CA 3.34Å; V52-V169 HydrophobicContact CG1-CG2 4.24Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.05Å; L55-V169 HydrophobicContact CB-CG2 3.99Å; L55-V169 HydrophobicContact CD1-CB 3.75Å; L55-V169 HydrophobicContact CD1-CG1 4.14Å; L55-V169 HydrophobicContact CD1-CG2 4.37Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 3.69Å; F61-V169 HydrophobicContact CG-CG1 4Å; A63-V169 HydrophobicContact CB-CG2 3.55Å; V169-T184 WeakPolarHBondContact O-CA 3.27Å; V169-T184 WeakPolarHBondContact O-CG2 3.06Å; V169-S185 WeakPolarHBondContact CG2-O 3.36Å; V169-S185 PolarHBondContact N-O 3.42Å; V169-S185 PolarHBondContact O-N 3.14Å
170G98.8Very high81.9Confident0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-173.1171.317400000113.6V7 H8 A183V7-G170 CarbonylContact C-O 3.51Å; V7-G170 VanDerWaalsContact CA-O 3.31Å; V7-G170 WeakPolarHBondContact CA-O 3.33Å; H8-G170 PolarHBondContact CD2-O 2.97Å; H8-G170 PolarHBondContact CE1-N 3.22Å; H8-G170 PolarHBondContact N-O 3.29Å; H8-G170 VanDerWaalsContact NE2-CA 3.33Å; H8-G170 WeakPolarHBondContact NE2-CA 3.49Å; H8-G170 PolarHBondContact NE2-N 3.17Å; H8-G170 PolarHBondContact O-N 3.11Å; H8-G170 VanDerWaalsContact O-N 3.11Å; G170-A183 CarbonylContact C-O 3.58Å; G170-A183 WeakPolarHBondContact CA-O 3.29Å
171A98.9Very high84.5Confident0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-144.3149.2-177.600000110.7V6 V7 V48 A51 V52 Y182 A183V6-A171 CarbonylContact O-C 3.56Å; V6-A171 VanDerWaalsContact O-CA 3.22Å; V6-A171 WeakPolarHBondContact O-CA 3.2Å; V7-A171 HydrophobicContact CG1-CB 3.98Å; V48-A171 HydrophobicContact CB-CB 3.95Å; V48-A171 HydrophobicContact CG1-CB 4.03Å; A51-A171 HydrophobicContact CB-CB 3.92Å; V52-A171 HydrophobicContact CG2-CB 3.97Å; A171-Y182 CarbonylContact O-C 3.52Å; A171-Y182 VanDerWaalsContact O-CA 3.27Å; A171-Y182 WeakPolarHBondContact O-CA 3.38Å; A171-A183 PolarHBondContact N-O 3.21Å; A171-A183 PolarHBondContact O-N 3.16Å
172V98.9Very high86.8Confident0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-130146.4166-61.10000109.1V5 V6 A181 A215 I216 I266 V268V5-V172 WeakPolarHBondContact CA-O 3.38Å; V6-V172 HydrophobicContact CB-CG2 3.87Å; V6-V172 HydrophobicContact CG2-CG2 4.29Å; V6-V172 PolarHBondContact N-O 3.38Å; V6-V172 PolarHBondContact O-N 3.44Å; V172-A181 VanDerWaalsContact CA-O 3.31Å; V172-A181 WeakPolarHBondContact CA-O 3.35Å; V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.18Å; V172-I216 VanDerWaalsContact CG1-C 3.44Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.16Å; V172-I266 HydrophobicContact CG2-CB 4.49Å; V172-I266 HydrophobicContact CG2-CD1 3.95Å; V172-I266 HydrophobicContact CG2-CG1 4.02Å; V172-V268 HydrophobicContact CB-CG1 3.95Å; V172-V268 HydrophobicContact CG2-CB 4.18Å; V172-V268 HydrophobicContact CG2-CG1 3.83Å
173A98.9Very high89.2Confident0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-141.2154.7178.900000112.3I4 V5 L38 A44 A47 V48 V180 A181I4-A173 CarbonylContact O-C 3.54Å; I4-A173 WeakPolarHBondContact O-CA 3.43Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.41Å; L38-A173 HydrophobicContact CD1-CB 4.3Å; A44-A173 HydrophobicContact CB-CB 4.21Å; A47-A173 HydrophobicContact CB-CB 4.13Å; V48-A173 HydrophobicContact CG1-CB 3.61Å; A173-V180 WeakPolarHBondContact O-CA 3.33Å; A173-A181 PolarHBondContact N-O 3.02Å; A173-A181 PolarHBondContact O-N 3.36Å; A173-A181 VanDerWaalsContact O-N 3.13Å
174L98.9Very high91.6Very high0 Ų021.6 Ų21.60%012%0.118CC..EExtended strand (participates in β ladder)trans-122.8123.1164.7172.770.6000107.6M1 P3 I4 N179 V180 V268M1-L174 HydrophobicContact CB-CD2 4.16Å; M1-L174 HydrophobicContact CB-CG 4.43Å; M1-L174 HydrophobicContact CE-CD2 3.84Å; M1-L174 HydrophobicContact CG-CD2 4.47Å; P3-L174 VanDerWaalsContact CA-O 3.23Å; P3-L174 WeakPolarHBondContact CA-O 3.42Å; I4-L174 HydrophobicContact CG2-CB 3.74Å; I4-L174 HydrophobicContact CG2-CD2 4.38Å; I4-L174 PolarHBondContact N-O 2.91Å; I4-L174 PolarHBondContact O-N 2.91Å; L174-N179 WeakPolarHBondContact CA-O 3.5Å; L174-V180 HydrophobicContact CB-CG1 4.24Å; L174-V180 HydrophobicContact CD1-CG1 3.56Å; L174-V268 HydrophobicContact CB-CG2 3.92Å
175D98.8Very high93.8Very high4 Ų417.4 Ų17.42%0.02110%0.1CC..  trans-89.3173.6-179.175.422.9000113.8L38 A44 K177 G178 N179L38-D175 HydrophobicContact CD2-CB 3.92Å; A44-D175 HydrophobicContact CB-CB 4.07Å; A44-D175 PolarHBondContact N-OD2 3.04Å; D175-K177 PolarHBondContact O-N 3.4Å; D175-K177 VanDerWaalsContact OD1-CA 3.3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.36Å; D175-K177 WeakPolarHBondContact OD1-CB 3.49Å; D175-K177 PolarHBondContact OD1-N 3.41Å; D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.85Å; D175-N179 PolarHBondContact N-O 2.83Å; D175-N179 PolarHBondContact OD1-N 3.13Å; D175-N179 PolarHBondContact OD1-ND2 3.04Å; D175-N179 WeakPolarHBondContact OD2-CB 3.48Å; D175-N179 PolarHBondContact OD2-ND2 3.2Å
176A98.3Very high95.6Very high52 Ų5216.2 Ų16.243%0.439%0.094SC..THydrogen-bonded Turntrans-61.9-26.5-178.800000113.4M1 P3 G178M1-A176 PolarHBondContact N-O 3.05Å; P3-A176 HydrophobicContact CG-CB 4.16Å; A176-G178 VanDerWaalsContact C-N 3.32Å
177K98.6Very high97.1Very high176 Ų17614.6 Ų14.677%0.7659%0.085SC*.THydrogen-bonded Turntrans-84.9-6.8179-61.5174.5-175.9167.70112.5D175D175-K177 PolarHBondContact O-N 3.4Å; D175-K177 VanDerWaalsContact OD1-CA 3.3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.36Å; D175-K177 WeakPolarHBondContact OD1-CB 3.49Å; D175-K177 PolarHBondContact OD1-N 3.41Å
178G98.6Very high98.4Very high20 Ų2014.1 Ų14.121%0.2068%0.08CC..SBendtrans87.715.3179.300000114.1D175 A176D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.85Å; A176-G178 VanDerWaalsContact C-N 3.32Å
179N98.9Very high98.5Very high32 Ų3215.4 Ų15.417%0.1719%0.086CC..  trans-84.7147.4172-48-68.6000110.5A44 L174 D175 N211A44-N179 WeakPolarHBondContact CB-O 3.3Å; L174-N179 WeakPolarHBondContact CA-O 3.5Å; D175-N179 PolarHBondContact N-O 2.83Å; D175-N179 PolarHBondContact OD1-N 3.13Å; D175-N179 PolarHBondContact OD1-ND2 3.04Å; D175-N179 WeakPolarHBondContact OD2-CB 3.48Å; D175-N179 PolarHBondContact OD2-ND2 3.2Å; N179-N211 WeakPolarHBondContact CA-OD1 3.28Å; N179-N211 PolarHBondContact OD1-ND2 3.36Å
180V98.9Very high98.3Very high0 Ų016 Ų160%09%0.089CC..EExtended strand (participates in β ladder)trans-115151.1174.4-590000111.3G84 A173 L174 A209 D210 N211 A215G84-V180 WeakPolarHBondContact CA-O 3.5Å; G84-V180 PolarHBondContact N-O 3.11Å; A173-V180 WeakPolarHBondContact O-CA 3.33Å; L174-V180 HydrophobicContact CB-CG1 4.24Å; L174-V180 HydrophobicContact CD1-CG1 3.56Å; V180-A209 HydrophobicContact CG2-CB 4.37Å; V180-D210 WeakPolarHBondContact CG2-O 3.23Å; V180-N211 PolarHBondContact N-OD1 3.07Å; V180-A215 HydrophobicContact CB-CB 3.83Å; V180-A215 HydrophobicContact CG2-CB 4.04Å
181A98.9Very high98.1Very high0 Ų016.7 Ų16.70%09%0.093CC..EExtended strand (participates in β ladder)trans-147.9159.4175.500000110.7A44 V45 V48 M82 V172 A173 A215A44-A181 HydrophobicContact CB-CB 3.71Å; V45-A181 HydrophobicContact CG2-CB 3.93Å; V48-A181 HydrophobicContact CG1-CB 4.43Å; V48-A181 HydrophobicContact CG2-CB 3.91Å; M82-A181 VanDerWaalsContact O-CA 3.29Å; M82-A181 WeakPolarHBondContact O-CA 3.43Å; M82-A181 WeakPolarHBondContact O-CB 3.31Å; V172-A181 VanDerWaalsContact CA-O 3.31Å; V172-A181 WeakPolarHBondContact CA-O 3.35Å; A173-A181 PolarHBondContact N-O 3.02Å; A173-A181 PolarHBondContact O-N 3.36Å; A173-A181 VanDerWaalsContact O-N 3.13Å; A181-A215 WeakPolarHBondContact O-CB 3.11Å
182Y98.9Very high98Very high0 Ų017 Ų170%09%0.094CC..EExtended strand (participates in β ladder)trans-129.8154.1166.390.1-91.3000111.1S80 I81 M82 A171 T184 G207 Y208 A209 I216S80-Y182 WeakPolarHBondContact OG-CE2 3.42Å; S80-Y182 PolarHBondContact OG-OH 2.98Å; I81-Y182 WeakPolarHBondContact CA-O 3.47Å; I81-Y182 WeakPolarHBondContact CG1-O 3.3Å; M82-Y182 HydrophobicContact CB-CD1 3.57Å; M82-Y182 HydrophobicContact CB-CE1 3.23Å; M82-Y182 HydrophobicContact CG-CE1 4.18Å; M82-Y182 PolarHBondContact N-O 2.96Å; M82-Y182 VanDerWaalsContact N-O 3.09Å; M82-Y182 PolarHBondContact O-N 2.92Å; M82-Y182 HydrophobicContact SD-CE1 3.95Å; A171-Y182 CarbonylContact O-C 3.52Å; A171-Y182 VanDerWaalsContact O-CA 3.27Å; A171-Y182 WeakPolarHBondContact O-CA 3.38Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.44Å; Y182-G207 VanDerWaalsContact CZ-C 3.42Å; Y182-Y208 VanDerWaalsContact CD1-C 3.4Å; Y182-Y208 VanDerWaalsContact CD1-N 3.28Å; Y182-Y208 VanDerWaalsContact CE1-CA 3.48Å; Y182-Y208 VanDerWaalsContact CE1-N 3.26Å; Y182-A209 HydrophobicContact CD1-CB 4.03Å; Y182-I216 WeakPolarHBondContact CB-O 3.08Å
183A98.9Very high97.9Very high0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans-137.1138.2165.800000109.7V48 V52 S80 I81 I102 G170 A171V48-A183 HydrophobicContact CB-CB 3.76Å; V48-A183 HydrophobicContact CG2-CB 3.74Å; V52-A183 HydrophobicContact CB-CB 4.27Å; V52-A183 HydrophobicContact CG2-CB 3.64Å; S80-A183 WeakPolarHBondContact O-CA 3.35Å; I81-A183 HydrophobicContact CD1-CB 4.38Å; I81-A183 HydrophobicContact CG1-CB 4.17Å; I102-A183 HydrophobicContact CD1-CB 3.7Å; I102-A183 HydrophobicContact CG1-CB 3.95Å; G170-A183 CarbonylContact C-O 3.58Å; G170-A183 WeakPolarHBondContact CA-O 3.29Å; A171-A183 PolarHBondContact N-O 3.21Å; A171-A183 PolarHBondContact O-N 3.16Å
184T98.9Very high97.9Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-138.3137.8177.1-46.60000109.3A79 S80 T168 V169 Y182 T200 S217A79-T184 CarbonylContact C-O 3.44Å; A79-T184 WeakPolarHBondContact CA-O 3.39Å; S80-T184 PolarHBondContact N-O 2.98Å; S80-T184 PolarHBondContact O-N 3.35Å; T168-T184 HydrophobicContact CG2-CG2 3.39Å; V169-T184 WeakPolarHBondContact O-CA 3.27Å; V169-T184 WeakPolarHBondContact O-CG2 3.06Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.44Å; T184-T200 HydrophobicContact CG2-CG2 3.74Å; T184-T200 WeakPolarHBondContact O-CG2 3.31Å; T184-S217 PolarHBondContact OG1-OG 2.74Å
185S98.9Very high97.8Very high0 Ų029.1 Ų29.10%017%0.168CC..EExtended strand (participates in β ladder)trans-142.2144.9179.6-172.30000111.6E56 D78 V169E56-S185 VanDerWaalsContact OE1-CB 3.27Å; E56-S185 WeakPolarHBondContact OE1-CB 3.17Å; E56-S185 PolarHBondContact OE1-OG 2.99Å; D78-S185 WeakPolarHBondContact O-CA 3.19Å; V169-S185 WeakPolarHBondContact CG2-O 3.36Å; V169-S185 PolarHBondContact N-O 3.42Å; V169-S185 PolarHBondContact O-N 3.14Å
186T98.7Very high97.8Very high2 Ų230.6 Ų30.61%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-154.5149.4-177.1-163.10000113.9N62 M77 D78 T168 G188 T200N62-T186 CarbonylContact O-C 3.08Å; N62-T186 VanDerWaalsContact O-CA 3.3Å; N62-T186 WeakPolarHBondContact O-CA 3.22Å; M77-T186 CarbonylContact C-O 3.53Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å; D78-T186 HydrophobicContact CB-CG2 4.06Å; D78-T186 PolarHBondContact N-O 3.45Å; D78-T186 PolarHBondContact O-N 3.12Å; T168-T186 WeakPolarHBondContact OG1-CB 3.31Å; T168-T186 PolarHBondContact OG1-OG1 2.78Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 2.83Å; T186-T200 HydrophobicContact CG2-CG2 3.9Å; T186-T200 VanDerWaalsContact CG2-OG1 3.26Å; T186-T200 WeakPolarHBondContact CG2-OG1 3.18Å
187G98.2Very high97.8Very high0 Ų030.4 Ų30.40%017%0.167CC..  trans-81.5-5.3159.200000113.4N62 E76 K192N62-G187 PolarHBondContact O-N 2.98Å; N62-G187 WeakPolarHBondContact OD1-CA 3.33Å; E76-G187 CarbonylContact O-C 3.54Å; E76-G187 VanDerWaalsContact O-O 3.12Å; G187-K192 WeakPolarHBondContact O-CE 3.26Å; G187-K192 PolarHBondContact O-NZ 2.91Å
188G96.5Very high97.8Very high3 Ų322 Ų223%0.03113%0.13CC..  trans83.5-145.7-176.300000112.6N62 V68 T186N62-G188 PolarHBondContact ND2-O 3.28Å; V68-G188 VanDerWaalsContact CG2-O 3.29Å; V68-G188 WeakPolarHBondContact CG2-O 3.45Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 2.83Å
189I94.3Very high97.8Very high34 Ų3421.3 Ų21.317%0.17412%0.121CC..SBendtrans-104.9147.4-179.565.6178.3000111.1N165 K192N165-I189 HydrophobicContact CB-CG2 4.35Å; N165-I189 WeakPolarHBondContact OD1-CG2 3.33Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 WeakPolarHBondContact O-CG 3.5Å; I189-K192 PolarHBondContact O-N 2.87Å
190I95.1Very high97.8Very high13 Ų1319.8 Ų19.87%0.06711%0.113CC..THydrogen-bonded Turntrans-61.6138179.6-172.865000110.4V68 L69 R147 L148 E151 K192V68-I190 HydrophobicContact CB-CB 4.35Å; V68-I190 HydrophobicContact CB-CD1 4.08Å; V68-I190 HydrophobicContact CG1-CB 4.46Å; L69-I190 HydrophobicContact CB-CD1 4.43Å; R147-I190 HydrophobicContact CB-CD1 4.21Å; R147-I190 HydrophobicContact CB-CG1 4.38Å; L148-I190 HydrophobicContact CB-CD1 4Å; L148-I190 HydrophobicContact CD1-CD1 4.36Å; E151-I190 HydrophobicContact CB-CG1 4.4Å; E151-I190 HydrophobicContact CG-CG2 4.29Å; I190-K192 PolarHBondContact O-N 2.82Å
191N95.1Very high97.8Very high15 Ų1519.8 Ų19.88%0.0811%0.114CC..THydrogen-bonded Turntrans57.232.8-179.6-164.223.2000112.8L69 T71 L148 E151 K155L69-N191 PolarHBondContact O-N 3.05Å; T71-N191 WeakPolarHBondContact CA-OD1 3.39Å; T71-N191 WeakPolarHBondContact CB-OD1 3.3Å; T71-N191 PolarHBondContact OG1-OD1 2.89Å; L148-N191 HydrophobicContact CD1-CB 3.63Å; E151-N191 HydrophobicContact CB-CB 4.4Å; E151-N191 HydrophobicContact CG-CB 3.74Å; K155-N191 WeakPolarHBondContact CD-ND2 3.35Å; K155-N191 PolarHBondContact NZ-ND2 3.4Å; K155-N191 VanDerWaalsContact NZ-ND2 3.14Å
192K95.6Very high97.8Very high5 Ų521.6 Ų21.62%0.02213%0.126CC..PPolyproline II helixtrans-62.4150.6168.567.1-177.4-175.3-175.60110.5N70 T71 E76 G187 I189 I190 R196N70-K192 CarbonylContact C-O 3.56Å; N70-K192 WeakPolarHBondContact CA-O 3.33Å; N70-K192 HydrophobicContact CB-CG 3.82Å; T71-K192 PolarHBondContact N-O 2.84Å; E76-K192 PolarHBondContact O-NZ 3.45Å; G187-K192 WeakPolarHBondContact O-CE 3.26Å; G187-K192 PolarHBondContact O-NZ 2.91Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 WeakPolarHBondContact O-CG 3.5Å; I189-K192 PolarHBondContact O-N 2.87Å; I190-K192 PolarHBondContact O-N 2.82Å; K192-R196 HydrophobicContact CB-CB 4.07Å; K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 HydrophobicContact CD-CB 4.32Å; K192-R196 HydrophobicContact CG-CB 4.44Å
193M97.4Very high97.7Very high150 Ų15024.4 Ų24.474%0.73914%0.143SC*.PPolyproline II helixtrans-60.6149167.4-67.3177.467.700109.7G195 R196M193-G195 PolarHBondContact O-N 2.98Å; M193-R196 VanDerWaalsContact O-CB 3.26Å; M193-R196 WeakPolarHBondContact O-CB 3.2Å; M193-R196 PolarHBondContact O-N 2.99Å
194V98.6Very high97.7Very high67 Ų6724.6 Ų24.641%0.40615%0.145SC..THydrogen-bonded Turntrans-55.5132.6175.4-176.30000109.7T71 D72 R196T71-V194 HydrophobicContact CG2-CG2 4.08Å; D72-V194 HydrophobicContact CB-CG2 4.44Å; D72-V194 VanDerWaalsContact OD2-CG2 3.27Å; D72-V194 WeakPolarHBondContact OD2-CG2 3.35Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 2.78Å
195G97.7Very high97.7Very high39 Ų3924.7 Ų24.740%0.40215%0.146SC..THydrogen-bonded Turntrans72.79.3-179.100000115.3E76 M193 V197E76-G195 PolarHBondContact OE1-N 3.01Å; E76-G195 VanDerWaalsContact OE1-N 3.09Å; E76-G195 PolarHBondContact OE2-N 3.02Å; E76-G195 VanDerWaalsContact OE2-N 3.16Å; M193-G195 PolarHBondContact O-N 2.98Å; G195-V197 PolarHBondContact O-N 3.18Å
196R98.5Very high97.7Very high34 Ų3424.7 Ų24.713%0.12815%0.146CC..  trans-64.8119.2171.8179.5-78.1-165.9174.71.3109.4K192 M193 V194 E223K192-R196 HydrophobicContact CB-CB 4.07Å; K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 HydrophobicContact CD-CB 4.32Å; K192-R196 HydrophobicContact CG-CB 4.44Å; M193-R196 VanDerWaalsContact O-CB 3.26Å; M193-R196 WeakPolarHBondContact O-CB 3.2Å; M193-R196 PolarHBondContact O-N 2.99Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 2.78Å; R196-E223 IonicContact CZ-OE1 3.82Å; R196-E223 VanDerWaalsContact CZ-OE1 3.24Å; R196-E223 IonicContact CZ-OE2 2.74Å; R196-E223 IonicContact NE-OE1 3.55Å; R196-E223 PolarHBondContact NE-OE1 3.31Å; R196-E223 IonicContact NH2-OE1 2.74Å; R196-E223 PolarHBondContact NH2-OE1 3.36Å; R196-E223 IonicContact NH2-OE2 3.24Å; R196-E223 PolarHBondContact NH2-OE2 3.11Å
197V98.8Very high97.7Very high49 Ų4924.6 Ų24.630%0.29715%0.145SC..  trans-97.1133174.5-175.30000110.5G195 P201G195-V197 PolarHBondContact O-N 3.18Å; V197-P201 HydrophobicContact CG1-CG 3.42Å; V197-P201 VanDerWaalsContact CG1-CG 3.42Å
198G97.8Very high97.7Very high0 Ų026.5 Ų26.50%015%0.153CC..  trans-89.5-160.9177.300000114.4D78D78-G198 PolarHBondContact OD2-N 3.09Å; D78-G198 VanDerWaalsContact OD2-N 3.13Å
199D98.7Very high97.9Very high4 Ų426.4 Ų26.42%0.02115%0.151CC..SBendtrans-73.4-32.6172.658-69.5000113.3P201 C202 A205 G206 G222 I225 L226D199-P201 VanDerWaalsContact C-CD 3.45Å; D199-C202 WeakPolarHBondContact O-CB 3.18Å; D199-C202 PolarHBondContact O-N 3.43Å; D199-A205 HydrophobicContact CB-CB 4.17Å; D199-G206 VanDerWaalsContact O-CA 3.31Å; D199-G206 WeakPolarHBondContact O-CA 3.27Å; D199-G206 PolarHBondContact O-N 3.21Å; D199-G206 VanDerWaalsContact O-N 3.09Å; D199-G222 WeakPolarHBondContact OD1-CA 3.3Å; D199-I225 HydrophobicContact CB-CB 3.77Å; D199-I225 HydrophobicContact CB-CG2 3.45Å; D199-I225 VanDerWaalsContact CB-CG2 3.45Å; D199-L226 HydrophobicContact CB-CD2 4.4Å; D199-L226 HydrophobicContact CB-CG 4.01Å
200T98.8Very high98.1Very high0 Ų026 Ų260%015%0.149CC..THydrogen-bonded Turntrans-50.8-43.7-170.2-65.70000115.5D78 S80 T168 T184 T186 C202D78-T200 HydrophobicContact CB-CG2 4.37Å; D78-T200 WeakPolarHBondContact O-CG2 3.44Å; S80-T200 WeakPolarHBondContact CB-O 3.26Å; S80-T200 PolarHBondContact OG-O 2.91Å; T168-T200 WeakPolarHBondContact CG2-OG1 3.44Å; T184-T200 HydrophobicContact CG2-CG2 3.74Å; T184-T200 WeakPolarHBondContact O-CG2 3.31Å; T186-T200 HydrophobicContact CG2-CG2 3.9Å; T186-T200 VanDerWaalsContact CG2-OG1 3.26Å; T186-T200 WeakPolarHBondContact CG2-OG1 3.18Å; T200-C202 VanDerWaalsContact C-N 3.32Å
201P98.8Very high98.3Very high1 Ų126.9 Ų26.91%0.00616%0.155CC..THydrogen-bonded Turntrans-87.3-2.6179.837-34.2000113.1D78 A91 V92 F116 V197 D199D78-P201 HydrophobicContact CB-CB 4.18Å; D78-P201 HydrophobicContact CB-CG 3.78Å; A91-P201 HydrophobicContact CB-CB 4.24Å; A91-P201 WeakPolarHBondContact CB-O 3.48Å; V92-P201 WeakPolarHBondContact O-CB 3.35Å; F116-P201 HydrophobicContact CE1-CB 4.22Å; F116-P201 HydrophobicContact CE1-CG 4.45Å; F116-P201 HydrophobicContact CE2-CB 3.88Å; F116-P201 HydrophobicContact CE2-CG 4.46Å; F116-P201 HydrophobicContact CZ-CB 3.56Å; F116-P201 HydrophobicContact CZ-CG 3.77Å; V197-P201 HydrophobicContact CG1-CG 3.42Å; V197-P201 VanDerWaalsContact CG1-CG 3.42Å; D199-P201 VanDerWaalsContact C-CD 3.45Å
202C98.9Very high98.4Very high37 Ų3732 Ų3225%0.2518%0.182CC..SBendtrans-98.8106.4-174.6-640000110.9D199 T200 G204 A205 G206 L226D199-C202 WeakPolarHBondContact O-CB 3.18Å; D199-C202 PolarHBondContact O-N 3.43Å; T200-C202 VanDerWaalsContact C-N 3.32Å; C202-G204 PolarHBondContact O-N 3.39Å; C202-A205 HydrophobicContact CB-CB 4.19Å; C202-A205 WeakPolarHBondContact O-CB 3.11Å; C202-A205 PolarHBondContact O-N 3.43Å; C202-G206 PolarHBondContact O-N 3.13Å; C202-G206 VanDerWaalsContact O-N 3.12Å; C202-L226 HydrophobicContact CB-CD2 3.71Å
203V98.6Very high98.6Very high59 Ų5932.3 Ų32.336%0.35818%0.183SC..BIsolated β-bridgetrans-53.9132.3177.3179.90000111.4M82 V89 A205 Y208M82-V203 HydrophobicContact CE-CG1 4.45Å; M82-V203 HydrophobicContact SD-CG1 3.91Å; V89-V203 HydrophobicContact CB-CG2 4.25Å; V89-V203 HydrophobicContact CG1-CG2 3.39Å; V89-V203 HydrophobicContact CG2-CG1 4.43Å; V89-V203 HydrophobicContact CG2-CG2 3.79Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.45Å; V203-Y208 HydrophobicContact CG1-CD2 3.54Å; V203-Y208 HydrophobicContact CG1-CE2 3.68Å
204G98.4Very high98.7Very high5 Ų525.1 Ų25.15%0.05215%0.148CC..THydrogen-bonded Turntrans86.9-15.7-176.800000114C202 G207 N229 A231 R232C202-G204 PolarHBondContact O-N 3.39Å; G204-G207 PolarHBondContact N-O 3.01Å; G204-N229 CarbonylContact O-C 3.56Å; G204-N229 VanDerWaalsContact O-CA 3.32Å; G204-N229 WeakPolarHBondContact O-CA 3.35Å; G204-N229 VanDerWaalsContact O-O 3.08Å; G204-A231 PolarHBondContact O-N 3.2Å; G204-R232 PolarHBondContact O-N 3.12Å
205A98.8Very high98.7Very high2 Ų222 Ų222%0.01713%0.129CC..THydrogen-bonded Turntrans-98.4-73.5169.600000110.5D199 C202 V203 G207 T218 I225 L226 A231D199-A205 HydrophobicContact CB-CB 4.17Å; C202-A205 HydrophobicContact CB-CB 4.19Å; C202-A205 WeakPolarHBondContact O-CB 3.11Å; C202-A205 PolarHBondContact O-N 3.43Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.45Å; A205-G207 PolarHBondContact O-N 2.95Å; A205-T218 PolarHBondContact O-OG1 3.24Å; A205-T218 VanDerWaalsContact O-OG1 3.11Å; A205-I225 HydrophobicContact CB-CG2 4.22Å; A205-I225 WeakPolarHBondContact O-CG2 3.43Å; A205-L226 HydrophobicContact CB-CD2 3.82Å; A205-L226 HydrophobicContact CB-CG 4.43Å; A205-A231 VanDerWaalsContact O-CB 3.31Å; A205-A231 WeakPolarHBondContact O-CB 3.48Å; A205-A231 PolarHBondContact O-N 3.04Å
206G98.4Very high98.7Very high0 Ų020.1 Ų20.10%011%0.11CC..THydrogen-bonded Turntrans-64.3-37.6-177.400000113.2D199 C202 T218D199-G206 VanDerWaalsContact O-CA 3.31Å; D199-G206 WeakPolarHBondContact O-CA 3.27Å; D199-G206 PolarHBondContact O-N 3.21Å; D199-G206 VanDerWaalsContact O-N 3.09Å; C202-G206 PolarHBondContact O-N 3.13Å; C202-G206 VanDerWaalsContact O-N 3.12Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 3.22Å; G206-T218 PolarHBondContact O-OG1 3.35Å
207G98.9Very high98.8Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-165.6171.417400000112.2Y182 G204 A205 I216 A231Y182-G207 VanDerWaalsContact CZ-C 3.42Å; G204-G207 PolarHBondContact N-O 3.01Å; A205-G207 PolarHBondContact O-N 2.95Å; G207-I216 CarbonylContact C-O 3.56Å; G207-I216 WeakPolarHBondContact CA-O 3.43Å; G207-A231 VanDerWaalsContact C-CB 3.46Å; G207-A231 VanDerWaalsContact CA-CB 3.48Å
208Y98.9Very high98.8Very high40 Ų4016.1 Ų16.116%0.1579%0.089CC..EExtended strand (participates in β ladder)trans-158.2145.8173.7-158.4-90.8000109.6M82 Y182 V203 D210 A215 I216 L235M82-Y208 HydrophobicContact CE-CD2 4.49Å; M82-Y208 HydrophobicContact CE-CE1 4.29Å; M82-Y208 HydrophobicContact CE-CE2 4.13Å; M82-Y208 HydrophobicContact SD-CD2 4.21Å; M82-Y208 HydrophobicContact SD-CE2 4.42Å; M82-Y208 HydrophobicContact SD-CG 4.33Å; Y182-Y208 VanDerWaalsContact CD1-C 3.4Å; Y182-Y208 VanDerWaalsContact CD1-N 3.28Å; Y182-Y208 VanDerWaalsContact CE1-CA 3.48Å; Y182-Y208 VanDerWaalsContact CE1-N 3.26Å; V203-Y208 HydrophobicContact CG1-CD2 3.54Å; V203-Y208 HydrophobicContact CG1-CE2 3.68Å; Y208-D210 HydrophobicContact CD1-CB 4.39Å; Y208-D210 HydrophobicContact CE1-CB 4.05Å; Y208-A215 CarbonylContact O-C 3.58Å; Y208-A215 VanDerWaalsContact O-CA 3.29Å; Y208-A215 WeakPolarHBondContact O-CA 3.44Å; Y208-I216 PolarHBondContact N-O 2.91Å; Y208-I216 PolarHBondContact O-N 2.92Å; Y208-L235 HydrophobicContact CD1-CD1 3.45Å; Y208-L235 VanDerWaalsContact CD1-CD1 3.45Å; Y208-L235 HydrophobicContact CE1-CD1 4.41Å; Y208-L235 HydrophobicContact CG-CD1 4.09Å
209A98.9Very high98.8Very high0 Ų016.2 Ų16.20%09%0.09CC..EExtended strand (participates in β ladder)trans-136.9135.1174.900000110.5M82 L87 V180 Y182 A215M82-A209 HydrophobicContact CB-CB 4.26Å; M82-A209 VanDerWaalsContact CE-O 3.28Å; M82-A209 WeakPolarHBondContact CE-O 3.26Å; M82-A209 HydrophobicContact CG-CB 4.15Å; M82-A209 HydrophobicContact SD-CB 4.45Å; M82-A209 PolarHBondContact SD-N 2.74Å; M82-A209 VanDerWaalsContact SD-N 3.42Å; L87-A209 WeakPolarHBondContact CD2-O 3.29Å; V180-A209 HydrophobicContact CG2-CB 4.37Å; Y182-A209 HydrophobicContact CD1-CB 4.03Å; A209-A215 HydrophobicContact CB-CB 3.84Å
210D98.9Very high98.7Very high25 Ų2516.6 Ų16.613%0.13410%0.095CC..EExtended strand (participates in β ladder)trans-152.4119.9178.9-171.7-26.9000109.1L87 V180 Y208 D212 I213 G214L87-D210 HydrophobicContact CD2-CB 4.14Å; V180-D210 WeakPolarHBondContact CG2-O 3.23Å; Y208-D210 HydrophobicContact CD1-CB 4.39Å; Y208-D210 HydrophobicContact CE1-CB 4.05Å; D210-D212 PolarHBondContact O-N 3.3Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.48Å; D210-D212 PolarHBondContact OD1-N 3.48Å; D210-I213 HydrophobicContact CB-CD1 4.24Å; D210-I213 HydrophobicContact CB-CG1 4.4Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 3.38Å; D210-G214 PolarHBondContact N-O 3.06Å; D210-G214 PolarHBondContact O-N 3.11Å
211N98.9Very high98.5Very high33 Ų3318.6 Ų18.618%0.17610%0.104CC..THydrogen-bonded Turntrans-59.2-24.9180-81.59.6000112.7G84 K85 N179 V180 I213 K270G84-N211 VanDerWaalsContact C-OD1 3.26Å; G84-N211 WeakPolarHBondContact O-CB 3.44Å; G84-N211 PolarHBondContact O-N 2.96Å; K85-N211 WeakPolarHBondContact CA-ND2 3.46Å; K85-N211 PolarHBondContact N-OD1 2.89Å; N179-N211 WeakPolarHBondContact CA-OD1 3.28Å; N179-N211 PolarHBondContact OD1-ND2 3.36Å; V180-N211 PolarHBondContact N-OD1 3.07Å; N211-I213 PolarHBondContact O-N 3.46Å; N211-K270 WeakPolarHBondContact O-CB 3.3Å
212D98.9Very high98.3Very high122 Ų12218.6 Ų18.665%0.65210%0.104SC*.THydrogen-bonded Turntrans-79-7.7178.6-70.2-29.2000113D210 K270D210-D212 PolarHBondContact O-N 3.3Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.48Å; D210-D212 PolarHBondContact OD1-N 3.48Å; D212-K270 WeakPolarHBondContact O-CD 3.32Å; D212-K270 WeakPolarHBondContact O-CE 3.48Å; D212-K270 PolarHBondContact O-NZ 2.77Å
213I98.9Very high98.2Very high11 Ų1119.4 Ų19.46%0.05610%0.104CC..THydrogen-bonded Turntrans-135-63.8-177.3-44164.8000112D210 N211 L235 I238 E239 K270D210-I213 HydrophobicContact CB-CD1 4.24Å; D210-I213 HydrophobicContact CB-CG1 4.4Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 3.38Å; N211-I213 PolarHBondContact O-N 3.46Å; I213-L235 HydrophobicContact CB-CD2 4.38Å; I213-L235 HydrophobicContact CD1-CB 4.46Å; I213-L235 HydrophobicContact CG2-CB 4.12Å; I213-L235 HydrophobicContact CG2-CD2 3.84Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-I238 HydrophobicContact CG2-CB 4Å; I213-I238 HydrophobicContact CG2-CG2 3.86Å; I213-E239 HydrophobicContact CD1-CG 3.51Å; I213-E239 WeakPolarHBondContact CD1-OE1 3.16Å; I213-E239 HydrophobicContact CG1-CG 3.75Å; I213-E239 HydrophobicContact CG2-CG 4.01Å; I213-K270 PolarHBondContact O-N 3.39Å
214G98.8Very high98.2Very high0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans158.5-174.5-169.600000113.1D210 V268D210-G214 PolarHBondContact N-O 3.06Å; D210-G214 PolarHBondContact O-N 3.11Å; G214-V268 CarbonylContact C-O 3.56Å; G214-V268 WeakPolarHBondContact CA-O 3.36Å
215A98.9Very high98.2Very high0 Ų016.4 Ų16.40%09%0.086CC..EExtended strand (participates in β ladder)trans-128.8145.9176.800000112.4V172 V180 A181 Y208 A209 V267 V268V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.18Å; V180-A215 HydrophobicContact CB-CB 3.83Å; V180-A215 HydrophobicContact CG2-CB 4.04Å; A181-A215 WeakPolarHBondContact O-CB 3.11Å; Y208-A215 CarbonylContact O-C 3.58Å; Y208-A215 VanDerWaalsContact O-CA 3.29Å; Y208-A215 WeakPolarHBondContact O-CA 3.44Å; A209-A215 HydrophobicContact CB-CB 3.84Å; A215-V267 WeakPolarHBondContact O-CA 3.48Å; A215-V268 HydrophobicContact CB-CG1 4.11Å; A215-V268 PolarHBondContact N-O 2.73Å; A215-V268 PolarHBondContact O-N 2.86Å
216I98.9Very high98.2Very high0 Ų018.9 Ų18.90%010%0.098CC..EExtended strand (participates in β ladder)trans-137.7140.3-175.9-60.7-168.3000110.8V172 Y182 G207 Y208 T218 A231 T234 L235 L265 I266 V267V172-I216 VanDerWaalsContact CG1-C 3.44Å; Y182-I216 WeakPolarHBondContact CB-O 3.08Å; G207-I216 CarbonylContact C-O 3.56Å; G207-I216 WeakPolarHBondContact CA-O 3.43Å; Y208-I216 PolarHBondContact N-O 2.91Å; Y208-I216 PolarHBondContact O-N 2.92Å; I216-T218 HydrophobicContact CG2-CG2 3.92Å; I216-A231 HydrophobicContact CB-CB 4.26Å; I216-A231 HydrophobicContact CG2-CB 3.94Å; I216-T234 HydrophobicContact CD1-CG2 3.36Å; I216-L235 HydrophobicContact CD1-CD2 3.61Å; I216-L235 HydrophobicContact CD1-CG 3.63Å; I216-L235 HydrophobicContact CG1-CD2 3.74Å; I216-L235 HydrophobicContact CG1-CG 3.94Å; I216-L265 HydrophobicContact CG2-CB 4.34Å; I216-I266 WeakPolarHBondContact CA-O 3.32Å; I216-V267 HydrophobicContact CD1-CB 4.04Å; I216-V267 HydrophobicContact CD1-CG2 3.78Å; I216-V267 HydrophobicContact CG1-CB 3.76Å; I216-V267 HydrophobicContact CG1-CG2 3.57Å
217S98.9Very high98.2Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-128.2141.1164.9-177.80000109.3H8 T184 L265 I266H8-S217 PolarHBondContact NE2-OG 3.01Å; T184-S217 PolarHBondContact OG1-OG 2.74Å; S217-L265 VanDerWaalsContact O-CA 3.31Å; S217-L265 WeakPolarHBondContact O-CA 3.39Å; S217-I266 PolarHBondContact N-O 3.3Å; S217-I266 PolarHBondContact O-N 2.82Å
218T98.8Very high98.2Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-122.2160.9-173.871.20000112.2H8 A205 G206 I216 L230 A231 G264 L265H8-T218 PolarHBondContact CE1-O 3.11Å; A205-T218 PolarHBondContact O-OG1 3.24Å; A205-T218 VanDerWaalsContact O-OG1 3.11Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 3.22Å; G206-T218 PolarHBondContact O-OG1 3.35Å; I216-T218 HydrophobicContact CG2-CG2 3.92Å; T218-L230 HydrophobicContact CG2-CB 4.26Å; T218-L230 HydrophobicContact CG2-CD2 3.94Å; T218-L230 HydrophobicContact CG2-CG 4.02Å; T218-A231 HydrophobicContact CG2-CB 3.92Å; T218-G264 WeakPolarHBondContact CA-O 3.49Å; T218-L265 HydrophobicContact CG2-CB 4.04Å
219T98.5Very high98.2Very high1 Ų129.1 Ų29.11%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-150.2150.4176.4170.90000109.8G11 G263 G264 M283G11-T219 PolarHBondContact N-OG1 2.77Å; T219-G263 CarbonylContact O-C 3.55Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; T219-G264 PolarHBondContact N-O 2.82Å; T219-G264 PolarHBondContact O-N 3.01Å; T219-M283 HydrophobicContact CG2-CG 4.25Å; T219-M283 HydrophobicContact CG2-SD 3.76Å
220G95.8Very high98.2Very high13 Ų1329.1 Ų29.113%0.13415%0.149CC..EExtended strand (participates in β ladder)trans142.2-143.3173.300000112.2G222G220-G222 PolarHBondContact O-N 3.45Å; G220-G222 VanDerWaalsContact O-N 3.14Å
221H95.4Very high98.2Very high41 Ų4128 Ų2819%0.1914%0.143CC..  trans-75.5100.5175.8-179.2-129000111.1E223 S224 I225 L262H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 3.11Å; H221-E223 PolarHBondContact CD2-OE2 3.48Å; H221-E223 IonicContact NE2-OE2 3.16Å; H221-E223 PolarHBondContact NE2-OE2 2.99Å; H221-E223 PolarHBondContact O-N 3.02Å; H221-S224 PolarHBondContact ND1-OG 3.33Å; H221-S224 WeakPolarHBondContact O-CA 3.37Å; H221-S224 WeakPolarHBondContact O-CB 3.34Å; H221-S224 PolarHBondContact O-N 3.09Å; H221-I225 PolarHBondContact O-N 2.8Å; H221-I225 VanDerWaalsContact O-N 3.1Å; H221-L262 PolarHBondContact N-O 3.31Å
222G95.3Very high98.2Very high1 Ų129.4 Ų29.41%0.0115%0.146CC..Hα-helixtrans-54.9-38.4-172.100000115.4D199 G220 S224 I225 L226D199-G222 WeakPolarHBondContact OD1-CA 3.3Å; G220-G222 PolarHBondContact O-N 3.45Å; G220-G222 VanDerWaalsContact O-N 3.14Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.35Å; G222-I225 PolarHBondContact O-N 3.4Å; G222-L226 WeakPolarHBondContact O-CB 3.21Å; G222-L226 VanDerWaalsContact O-CG 3.31Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.48Å
223E96.9Very high98.2Very high54 Ų5425.3 Ų25.325%0.25212%0.124SC..Hα-helixtrans-63.8-31.9176.4-70.673.8-168.900112.3R196 H221 K227R196-E223 IonicContact CZ-OE1 3.82Å; R196-E223 VanDerWaalsContact CZ-OE1 3.24Å; R196-E223 IonicContact CZ-OE2 2.74Å; R196-E223 IonicContact NE-OE1 3.55Å; R196-E223 PolarHBondContact NE-OE1 3.31Å; R196-E223 IonicContact NH2-OE1 2.74Å; R196-E223 PolarHBondContact NH2-OE1 3.36Å; R196-E223 IonicContact NH2-OE2 3.24Å; R196-E223 PolarHBondContact NH2-OE2 3.11Å; H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 3.11Å; H221-E223 PolarHBondContact CD2-OE2 3.48Å; H221-E223 IonicContact NE2-OE2 3.16Å; H221-E223 PolarHBondContact NE2-OE2 2.99Å; H221-E223 PolarHBondContact O-N 3.02Å; E223-K227 WeakPolarHBondContact O-CD 3.5Å; E223-K227 WeakPolarHBondContact O-CE 3.44Å; E223-K227 WeakPolarHBondContact O-CG 3.39Å; E223-K227 PolarHBondContact O-N 3.27Å
224S97.8Very high98.2Very high2 Ų224.8 Ų24.81%0.01412%0.121CC..Hα-helixtrans-74.8-42174.9-69.70000111.5H221 G222 K227 V228 G261H221-S224 PolarHBondContact ND1-OG 3.33Å; H221-S224 WeakPolarHBondContact O-CA 3.37Å; H221-S224 WeakPolarHBondContact O-CB 3.34Å; H221-S224 PolarHBondContact O-N 3.09Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.35Å; S224-K227 PolarHBondContact O-N 2.87Å; S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.38Å; S224-G261 VanDerWaalsContact OG-CA 3.25Å; S224-G261 WeakPolarHBondContact OG-CA 3.23Å
225I98.6Very high98.2Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-60.4-47177.4-65.5171.1000110.3D199 A205 H221 G222 K227 V228 N229 L230 M255D199-I225 HydrophobicContact CB-CB 3.77Å; D199-I225 HydrophobicContact CB-CG2 3.45Å; D199-I225 VanDerWaalsContact CB-CG2 3.45Å; A205-I225 HydrophobicContact CB-CG2 4.22Å; A205-I225 WeakPolarHBondContact O-CG2 3.43Å; H221-I225 PolarHBondContact O-N 2.8Å; H221-I225 VanDerWaalsContact O-N 3.1Å; G222-I225 PolarHBondContact O-N 3.4Å; I225-K227 PolarHBondContact O-N 3.44Å; I225-V228 PolarHBondContact O-N 2.86Å; I225-N229 PolarHBondContact O-N 2.93Å; I225-L230 HydrophobicContact CG1-CD2 4.09Å; I225-L230 HydrophobicContact CG2-CB 3.9Å; I225-L230 PolarHBondContact O-N 3.42Å; I225-M255 HydrophobicContact CG1-SD 3.81Å
226L98.8Very high98.2Very high54 Ų5429.5 Ų29.528%0.28314%0.142SC..Hα-helixtrans-57.2-46.5174.7-77.4167.6000112.5D199 C202 A205 G222 V228 N229D199-L226 HydrophobicContact CB-CD2 4.4Å; D199-L226 HydrophobicContact CB-CG 4.01Å; C202-L226 HydrophobicContact CB-CD2 3.71Å; A205-L226 HydrophobicContact CB-CD2 3.82Å; A205-L226 HydrophobicContact CB-CG 4.43Å; G222-L226 WeakPolarHBondContact O-CB 3.21Å; G222-L226 VanDerWaalsContact O-CG 3.31Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.48Å; L226-V228 PolarHBondContact O-N 2.99Å; L226-N229 PolarHBondContact O-N 3.36Å; L226-N229 PolarHBondContact O-OD1 2.92Å; L226-N229 VanDerWaalsContact O-OD1 3.11Å
227K98.7Very high98.2Very high148 Ų14831.3 Ų31.364%0.64315%0.15SC*.Hα-helixtrans-65.1-23.9-175.8-76.3166.2-166.6169.90113.9E223 S224 I225 V259E223-K227 WeakPolarHBondContact O-CD 3.5Å; E223-K227 WeakPolarHBondContact O-CE 3.44Å; E223-K227 WeakPolarHBondContact O-CG 3.39Å; E223-K227 PolarHBondContact O-N 3.27Å; S224-K227 PolarHBondContact O-N 2.87Å; I225-K227 PolarHBondContact O-N 3.44Å; K227-V259 HydrophobicContact CB-CG1 4.28Å; K227-V259 HydrophobicContact CD-CG1 4.32Å
228V98.8Very high98.2Very high15 Ų1532.7 Ų32.79%0.09116%0.157CC..Hα-helixtrans-113.2-0.4-176-54.20000113.4S224 I225 L226 L230 Y254 M255 V259S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.38Å; I225-V228 PolarHBondContact O-N 2.86Å; L226-V228 PolarHBondContact O-N 2.99Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 HydrophobicContact CG2-CB 4.02Å; V228-L230 HydrophobicContact CG2-CD1 4.46Å; V228-L230 PolarHBondContact O-N 3.32Å; V228-Y254 HydrophobicContact CB-CD1 4.16Å; V228-Y254 HydrophobicContact CB-CE1 4.09Å; V228-Y254 HydrophobicContact CG1-CD1 4.1Å; V228-Y254 HydrophobicContact CG1-CE1 3.89Å; V228-M255 HydrophobicContact CG2-CB 4.09Å; V228-M255 HydrophobicContact CG2-CG 4.07Å; V228-M255 HydrophobicContact CG2-SD 4.39Å; V228-V259 HydrophobicContact CG1-CG1 4.17Å; V228-V259 HydrophobicContact CG1-CG2 3.92Å
229N98.9Very high98.2Very high92 Ų9236.9 Ų36.949%0.49218%0.177SC..THydrogen-bonded Turntrans46.755.6-172.2-66.8-6.5000111.3G204 I225 L226 A231 R232 L233G204-N229 CarbonylContact O-C 3.56Å; G204-N229 VanDerWaalsContact O-CA 3.32Å; G204-N229 WeakPolarHBondContact O-CA 3.35Å; G204-N229 VanDerWaalsContact O-O 3.08Å; I225-N229 PolarHBondContact O-N 2.93Å; L226-N229 PolarHBondContact O-N 3.36Å; L226-N229 PolarHBondContact O-OD1 2.92Å; L226-N229 VanDerWaalsContact O-OD1 3.11Å; N229-A231 VanDerWaalsContact C-N 3.33Å; N229-A231 PolarHBondContact O-N 2.84Å; N229-R232 PolarHBondContact O-N 3.2Å; N229-R232 VanDerWaalsContact O-N 3.14Å; N229-L233 VanDerWaalsContact O-CB 3.3Å; N229-L233 WeakPolarHBondContact O-CB 3.44Å; N229-L233 PolarHBondContact O-N 3.43Å
230L98.9Very high98.2Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-51.4-49.4-166-176.661.6000112.4T218 I225 V228 R232 L233 T234 L252 M255 L265T218-L230 HydrophobicContact CG2-CB 4.26Å; T218-L230 HydrophobicContact CG2-CD2 3.94Å; T218-L230 HydrophobicContact CG2-CG 4.02Å; I225-L230 HydrophobicContact CG1-CD2 4.09Å; I225-L230 HydrophobicContact CG2-CB 3.9Å; I225-L230 PolarHBondContact O-N 3.42Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 HydrophobicContact CG2-CB 4.02Å; V228-L230 HydrophobicContact CG2-CD1 4.46Å; V228-L230 PolarHBondContact O-N 3.32Å; L230-R232 PolarHBondContact O-N 2.93Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 2.92Å; L230-L252 HydrophobicContact CD1-CD2 4.31Å; L230-L252 HydrophobicContact CD2-CD2 3.97Å; L230-M255 HydrophobicContact CD2-CE 4.11Å; L230-M255 HydrophobicContact CD2-SD 4.07Å; L230-L265 HydrophobicContact CD1-CD2 4.44Å; L230-L265 HydrophobicContact CG-CD2 4.35Å
231A98.9Very high98.3Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-59.4-49.8-179.500000112.6G204 A205 G207 I216 T218 N229 L233 T234 L235G204-A231 PolarHBondContact O-N 3.2Å; A205-A231 VanDerWaalsContact O-CB 3.31Å; A205-A231 WeakPolarHBondContact O-CB 3.48Å; A205-A231 PolarHBondContact O-N 3.04Å; G207-A231 VanDerWaalsContact C-CB 3.46Å; G207-A231 VanDerWaalsContact CA-CB 3.48Å; I216-A231 HydrophobicContact CB-CB 4.26Å; I216-A231 HydrophobicContact CG2-CB 3.94Å; T218-A231 HydrophobicContact CG2-CB 3.92Å; N229-A231 VanDerWaalsContact C-N 3.33Å; N229-A231 PolarHBondContact O-N 2.84Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.28Å; A231-T234 PolarHBondContact O-N 2.92Å; A231-L235 PolarHBondContact O-N 2.87Å
232R98.9Very high98.5Very high63 Ų6347.7 Ų47.724%0.23824%0.24CC..Hα-helixtrans-69.7-34.2-179.2-176.561.2-170.889.3-11.4112.1G204 N229 L230 L235 F236 E239G204-R232 PolarHBondContact O-N 3.12Å; N229-R232 PolarHBondContact O-N 3.2Å; N229-R232 VanDerWaalsContact O-N 3.14Å; L230-R232 PolarHBondContact O-N 2.93Å; R232-L235 PolarHBondContact O-N 3.25Å; R232-F236 PolarHBondContact O-N 3.39Å; R232-E239 IonicContact CZ-OE2 3.43Å; R232-E239 IonicContact NH1-OE2 3.19Å; R232-E239 PolarHBondContact NH1-OE2 3.14Å; R232-E239 VanDerWaalsContact NH2-CD 3.31Å; R232-E239 IonicContact NH2-OE1 3.68Å; R232-E239 PolarHBondContact NH2-OE1 2.8Å; R232-E239 VanDerWaalsContact NH2-OE1 3.11Å; R232-E239 IonicContact NH2-OE2 2.81Å; R232-E239 PolarHBondContact NH2-OE2 3.23Å
233L98.9Very high98.7Very high37 Ų3751.3 Ų51.319%0.19426%0.262CS..Hα-helixtrans-63.6-41.6176.1176.362.5000111.6N229 L230 A231 F236 H237 Y254N229-L233 VanDerWaalsContact O-CB 3.3Å; N229-L233 WeakPolarHBondContact O-CB 3.44Å; N229-L233 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.21Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.28Å; L233-F236 VanDerWaalsContact O-CB 3.32Å; L233-F236 WeakPolarHBondContact O-CB 3.48Å; L233-F236 PolarHBondContact O-N 3.43Å; L233-H237 PolarHBondContact O-CD2 2.92Å; L233-H237 PolarHBondContact O-N 3.41Å; L233-Y254 HydrophobicContact CD2-CD1 3.61Å; L233-Y254 HydrophobicContact CD2-CE1 4.3Å; L233-Y254 HydrophobicContact CD2-CG 4.34Å
234T98.9Very high98.8Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-62.7-46.2175.9-50.80000111I216 L230 A231 F236 H237 I238 A247 S251 L265I216-T234 HydrophobicContact CD1-CG2 3.36Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 2.92Å; A231-T234 PolarHBondContact O-N 2.92Å; T234-F236 PolarHBondContact O-N 3.47Å; T234-H237 PolarHBondContact O-N 2.98Å; T234-H237 VanDerWaalsContact O-N 3.11Å; T234-I238 PolarHBondContact O-N 2.92Å; T234-A247 HydrophobicContact CG2-CB 4.05Å; T234-S251 WeakPolarHBondContact OG1-CB 3.19Å; T234-S251 PolarHBondContact OG1-OG 3.03Å; T234-L265 HydrophobicContact CG2-CD1 4.35Å; T234-L265 HydrophobicContact CG2-CD2 4.09Å; T234-L265 WeakPolarHBondContact OG1-CD2 3.35Å
235L98.9Very high98.8Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-61.2-34174.3-69.7-178.5000112.4Y208 I213 I216 A231 R232 H237 I238 E239Y208-L235 HydrophobicContact CD1-CD1 3.45Å; Y208-L235 VanDerWaalsContact CD1-CD1 3.45Å; Y208-L235 HydrophobicContact CE1-CD1 4.41Å; Y208-L235 HydrophobicContact CG-CD1 4.09Å; I213-L235 HydrophobicContact CB-CD2 4.38Å; I213-L235 HydrophobicContact CD1-CB 4.46Å; I213-L235 HydrophobicContact CG2-CB 4.12Å; I213-L235 HydrophobicContact CG2-CD2 3.84Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I216-L235 HydrophobicContact CD1-CD2 3.61Å; I216-L235 HydrophobicContact CD1-CG 3.63Å; I216-L235 HydrophobicContact CG1-CD2 3.74Å; I216-L235 HydrophobicContact CG1-CG 3.94Å; A231-L235 PolarHBondContact O-N 2.87Å; R232-L235 PolarHBondContact O-N 3.25Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.08Å; L235-I238 HydrophobicContact CD2-CD1 4.12Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 2.86Å; L235-I238 VanDerWaalsContact O-N 3.07Å; L235-E239 PolarHBondContact O-N 2.65Å
236F98.9Very high98.8Very high98 Ų9858.3 Ų58.343%0.4330%0.296SS..Hα-helixtrans-59.2-40.5174.2-168.9-91.3000112.3R232 L233 T234 I238 E239 Q240R232-F236 PolarHBondContact O-N 3.39Å; L233-F236 VanDerWaalsContact O-CB 3.32Å; L233-F236 WeakPolarHBondContact O-CB 3.48Å; L233-F236 PolarHBondContact O-N 3.43Å; T234-F236 PolarHBondContact O-N 3.47Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.35Å; F236-E239 VanDerWaalsContact CA-OE2 3.22Å; F236-E239 WeakPolarHBondContact CA-OE2 3.43Å; F236-E239 WeakPolarHBondContact O-CB 3.36Å; F236-E239 PolarHBondContact O-N 2.79Å; F236-Q240 HydrophobicContact CD1-CG 4.1Å; F236-Q240 HydrophobicContact CE1-CG 3.83Å; F236-Q240 HydrophobicContact CZ-CG 4.44Å; F236-Q240 VanDerWaalsContact O-CG 3.27Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 3.05Å; F236-Q240 VanDerWaalsContact O-N 3.13Å
237H98.9Very high98.8Very high39 Ų3955.8 Ų55.818%0.18128%0.282CS..Hα-helixtrans-66-35174.8-70-45.7000112.7L233 T234 L235 Q240 G241 K242 A247L233-H237 PolarHBondContact O-CD2 2.92Å; L233-H237 PolarHBondContact O-N 3.41Å; T234-H237 PolarHBondContact O-N 2.98Å; T234-H237 VanDerWaalsContact O-N 3.11Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.08Å; H237-Q240 CarbonylContact O-C 3.54Å; H237-Q240 PolarHBondContact O-N 3.03Å; H237-G241 PolarHBondContact O-N 3.3Å; H237-K242 HydrophobicContact CB-CB 4.25Å; H237-K242 HydrophobicContact CB-CG 4.09Å; H237-K242 WeakPolarHBondContact O-CB 3.47Å; H237-K242 VanDerWaalsContact O-CG 3.26Å; H237-K242 WeakPolarHBondContact O-CG 3.43Å; H237-K242 PolarHBondContact O-N 2.91Å; H237-A247 HydrophobicContact CB-CB 3.61Å
238I98.8Very high98.8Very high28 Ų2848.7 Ų48.714%0.14425%0.252CS..Hα-helixtrans-65.3-43.1174.8-60.1178.3000110.7I213 T234 L235 F236 Q240 G241 V244 A247 V267I213-I238 HydrophobicContact CG2-CB 4Å; I213-I238 HydrophobicContact CG2-CG2 3.86Å; T234-I238 PolarHBondContact O-N 2.92Å; L235-I238 HydrophobicContact CD2-CD1 4.12Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 2.86Å; L235-I238 VanDerWaalsContact O-N 3.07Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.35Å; I238-Q240 PolarHBondContact O-N 2.78Å; I238-G241 PolarHBondContact O-N 2.81Å; I238-V244 HydrophobicContact CD1-CG1 4.08Å; I238-A247 HydrophobicContact CD1-CB 4.4Å; I238-A247 HydrophobicContact CG1-CB 3.6Å; I238-V267 HydrophobicContact CD1-CG2 3.86Å
239E98.8Very high98.8Very high89 Ų8951.8 Ų51.842%0.41627%0.267SS..Hα-helixtrans-56.9-35173.3-69.9169.4107.600112I213 R232 L235 F236 G241I213-E239 HydrophobicContact CD1-CG 3.51Å; I213-E239 WeakPolarHBondContact CD1-OE1 3.16Å; I213-E239 HydrophobicContact CG1-CG 3.75Å; I213-E239 HydrophobicContact CG2-CG 4.01Å; R232-E239 IonicContact CZ-OE2 3.43Å; R232-E239 IonicContact NH1-OE2 3.19Å; R232-E239 PolarHBondContact NH1-OE2 3.14Å; R232-E239 VanDerWaalsContact NH2-CD 3.31Å; R232-E239 IonicContact NH2-OE1 3.68Å; R232-E239 PolarHBondContact NH2-OE1 2.8Å; R232-E239 VanDerWaalsContact NH2-OE1 3.11Å; R232-E239 IonicContact NH2-OE2 2.81Å; R232-E239 PolarHBondContact NH2-OE2 3.23Å; L235-E239 PolarHBondContact O-N 2.65Å; F236-E239 VanDerWaalsContact CA-OE2 3.22Å; F236-E239 WeakPolarHBondContact CA-OE2 3.43Å; F236-E239 WeakPolarHBondContact O-CB 3.36Å; F236-E239 PolarHBondContact O-N 2.79Å; E239-G241 PolarHBondContact O-N 3.44Å
240Q98.8Very high98.8Very high128 Ų12851.4 Ų51.460%0.59827%0.265SS*.THydrogen-bonded Turntrans-7910.7176-61.7-61.211300113.8F236 H237 I238F236-Q240 HydrophobicContact CD1-CG 4.1Å; F236-Q240 HydrophobicContact CE1-CG 3.83Å; F236-Q240 HydrophobicContact CZ-CG 4.44Å; F236-Q240 VanDerWaalsContact O-CG 3.27Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 3.05Å; F236-Q240 VanDerWaalsContact O-N 3.13Å; H237-Q240 CarbonylContact O-C 3.54Å; H237-Q240 PolarHBondContact O-N 3.03Å; I238-Q240 PolarHBondContact O-N 2.78Å
241G98.4Very high98.8Very high65 Ų6551.4 Ų51.467%0.6727%0.265SS*.THydrogen-bonded Turntrans82.716.7175.500000114.9H237 I238 E239H237-G241 PolarHBondContact O-N 3.3Å; I238-G241 PolarHBondContact O-N 2.81Å; E239-G241 PolarHBondContact O-N 3.44Å
242K98.8Very high98.8Very high89 Ų8951.5 Ų51.539%0.38727%0.265SS..  trans-77.8147.7171.2-57.2-55.7177.4-162.50110.9H237 E246 A247 L250H237-K242 HydrophobicContact CB-CB 4.25Å; H237-K242 HydrophobicContact CB-CG 4.09Å; H237-K242 WeakPolarHBondContact O-CB 3.47Å; H237-K242 VanDerWaalsContact O-CG 3.26Å; H237-K242 WeakPolarHBondContact O-CG 3.43Å; H237-K242 PolarHBondContact O-N 2.91Å; K242-E246 WeakPolarHBondContact CA-OE2 3.25Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-A247 HydrophobicContact CB-CB 4.26Å; K242-L250 HydrophobicContact CD-CD1 4.38Å; K242-L250 HydrophobicContact CG-CD1 4.16Å
243T98.9Very high98.8Very high76 Ų7650 Ų5047%0.46627%0.269SS..  trans-65.6163.3169.5730000110.3E245 E246 A247T243-E245 PolarHBondContact O-N 3.06Å; T243-E246 PolarHBondContact N-OE2 3.17Å; T243-E246 PolarHBondContact O-N 3.43Å; T243-E246 WeakPolarHBondContact OG1-CG 3.25Å; T243-E246 PolarHBondContact OG1-N 3.31Å; T243-A247 VanDerWaalsContact O-CB 3.25Å; T243-A247 WeakPolarHBondContact O-CB 3.32Å; T243-A247 PolarHBondContact O-N 2.76Å
244V98.7Very high98.8Very high18 Ų1852.6 Ų52.611%0.10928%0.277CS..Hα-helixtrans-57.2-35.3177.1-68.30000112.6I238 A248 V267 D273 V275I238-V244 HydrophobicContact CD1-CG1 4.08Å; V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 2.89Å; V244-A248 VanDerWaalsContact O-N 3.11Å; V244-V267 HydrophobicContact CB-CG1 3.88Å; V244-V267 HydrophobicContact CG1-CG1 4.35Å; V244-V267 HydrophobicContact CG1-CG2 4.29Å; V244-D273 HydrophobicContact CG1-CB 4.13Å; V244-D273 HydrophobicContact CG2-CB 4.12Å; V244-V275 HydrophobicContact CB-CG1 4.17Å; V244-V275 HydrophobicContact CG2-CB 4.19Å; V244-V275 HydrophobicContact CG2-CG1 4.16Å
245E98.8Very high98.8Very high94 Ų9452.6 Ų52.644%0.43928%0.277SS..Hα-helixtrans-74.1-47.5177.5-176.9168-145.400112.2T243 A247 A248 D249 V275 K277T243-E245 PolarHBondContact O-N 3.06Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.11Å; E245-A248 PolarHBondContact O-N 3.01Å; E245-D249 PolarHBondContact O-N 3.47Å; E245-V275 HydrophobicContact CB-CG2 4.43Å; E245-K277 HydrophobicContact CG-CD 4.29Å; E245-K277 IonicContact OE1-NZ 2.73Å; E245-K277 PolarHBondContact OE1-NZ 3.25Å
246E98.8Very high98.7Very high92 Ų9257.3 Ų57.343%0.4330%0.298SS..Hα-helixtrans-58.9-42.5176.2-72.4176156.700111.6K242 T243 D249 L250K242-E246 WeakPolarHBondContact CA-OE2 3.25Å; K242-E246 HydrophobicContact CB-CB 3.98Å; T243-E246 PolarHBondContact N-OE2 3.17Å; T243-E246 PolarHBondContact O-N 3.43Å; T243-E246 WeakPolarHBondContact OG1-CG 3.25Å; T243-E246 PolarHBondContact OG1-N 3.31Å; E246-D249 PolarHBondContact O-N 2.91Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 VanDerWaalsContact O-CG 3.23Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.06Å
247A98.9Very high98.7Very high0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-62.8-4417700000111.8T234 H237 I238 K242 T243 E245 S251T234-A247 HydrophobicContact CG2-CB 4.05Å; H237-A247 HydrophobicContact CB-CB 3.61Å; I238-A247 HydrophobicContact CD1-CB 4.4Å; I238-A247 HydrophobicContact CG1-CB 3.6Å; K242-A247 HydrophobicContact CB-CB 4.26Å; T243-A247 VanDerWaalsContact O-CB 3.25Å; T243-A247 WeakPolarHBondContact O-CB 3.32Å; T243-A247 PolarHBondContact O-N 2.76Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.11Å; A247-S251 VanDerWaalsContact O-CB 3.3Å; A247-S251 WeakPolarHBondContact O-CB 2.89Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 3.09Å
248A98.8Very high98.7Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-62.1-48176.800000111.4V244 E245 L250 S251 L252 L265 V275 K277V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 2.89Å; V244-A248 VanDerWaalsContact O-N 3.11Å; E245-A248 PolarHBondContact O-N 3.01Å; A248-L250 PolarHBondContact O-N 2.95Å; A248-S251 PolarHBondContact O-N 3.05Å; A248-S251 PolarHBondContact O-OG 3.46Å; A248-L252 VanDerWaalsContact O-CB 3.32Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 VanDerWaalsContact O-CG 3.28Å; A248-L252 WeakPolarHBondContact O-CG 3.44Å; A248-L252 PolarHBondContact O-N 3.36Å; A248-L265 HydrophobicContact CB-CD1 3.76Å; A248-L265 HydrophobicContact CB-CD2 4.48Å; A248-L265 HydrophobicContact CB-CG 4.41Å; A248-V275 HydrophobicContact CB-CG1 4.2Å; A248-K277 HydrophobicContact CB-CB 3.9Å; A248-K277 HydrophobicContact CB-CG 3.8Å
249D98.8Very high98.6Very high79 Ų7963.8 Ų63.842%0.42234%0.335SS..Hα-helixtrans-64.1-42.1-179.6-76.3-23000112.2E245 E246 G253 K277E245-D249 PolarHBondContact O-N 3.47Å; E246-D249 PolarHBondContact O-N 2.91Å; D249-G253 WeakPolarHBondContact O-CA 3.35Å; D249-G253 PolarHBondContact O-N 3.19Å; D249-K277 WeakPolarHBondContact OD1-CE 3.23Å; D249-K277 IonicContact OD1-NZ 3.76Å; D249-K277 PolarHBondContact OD1-NZ 2.97Å; D249-K277 IonicContact OD2-NZ 3.43Å; D249-K277 PolarHBondContact OD2-NZ 3.18Å
250L98.9Very high98.4Very high85 Ų8567.9 Ų67.945%0.44535%0.351SS..Hα-helixtrans-64.7-47.8177.2-74.7169.7000112.2K242 E246 A248 G253 Y254K242-L250 HydrophobicContact CD-CD1 4.38Å; K242-L250 HydrophobicContact CG-CD1 4.16Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 VanDerWaalsContact O-CG 3.23Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.06Å; A248-L250 PolarHBondContact O-N 2.95Å; L250-G253 PolarHBondContact O-N 3.45Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.13Å
251S98.9Very high98.2Very high0 Ų061.8 Ų61.80%032%0.323CS..Hα-helixtrans-67.7-44.9-176.958.50000112.3T234 A247 A248 Y254 M255T234-S251 WeakPolarHBondContact OG1-CB 3.19Å; T234-S251 PolarHBondContact OG1-OG 3.03Å; A247-S251 VanDerWaalsContact O-CB 3.3Å; A247-S251 WeakPolarHBondContact O-CB 2.89Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 3.09Å; A248-S251 PolarHBondContact O-N 3.05Å; A248-S251 PolarHBondContact O-OG 3.46Å; S251-Y254 PolarHBondContact O-N 3.33Å; S251-M255 PolarHBondContact O-N 2.6Å; S251-M255 VanDerWaalsContact O-N 3.09Å
252L98.8Very high98Very high1 Ų161 Ų611%0.00530%0.303CS..Hα-helixtrans-64.7-40.6172.8-68.3169000111.8L230 A248 Y254 M255 K256 L265 K277 T279L230-L252 HydrophobicContact CD1-CD2 4.31Å; L230-L252 HydrophobicContact CD2-CD2 3.97Å; A248-L252 VanDerWaalsContact O-CB 3.32Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 VanDerWaalsContact O-CG 3.28Å; A248-L252 WeakPolarHBondContact O-CG 3.44Å; A248-L252 PolarHBondContact O-N 3.36Å; L252-Y254 VanDerWaalsContact C-N 3.31Å; L252-Y254 PolarHBondContact O-N 3.21Å; L252-M255 HydrophobicContact CD2-CE 4.23Å; L252-M255 PolarHBondContact O-N 3.5Å; L252-K256 PolarHBondContact O-N 2.7Å; L252-L265 HydrophobicContact CD1-CD2 4.3Å; L252-L265 HydrophobicContact CD1-CG 4.3Å; L252-L265 HydrophobicContact CD2-CD2 4.15Å; L252-L265 HydrophobicContact CG-CD2 3.95Å; L252-L265 HydrophobicContact CG-CG 4.45Å; L252-K277 HydrophobicContact CD1-CB 3.96Å; L252-T279 HydrophobicContact CB-CG2 3.76Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å
253G98.7Very high97.9Very high31 Ų3156.7 Ų56.732%0.3228%0.284SS..Hα-helixtrans-61.2-38.5175.500000112.7D249 L250 K256 S257D249-G253 WeakPolarHBondContact O-CA 3.35Å; D249-G253 PolarHBondContact O-N 3.19Å; L250-G253 PolarHBondContact O-N 3.45Å; G253-K256 PolarHBondContact O-N 3.22Å; G253-S257 WeakPolarHBondContact O-CB 3.39Å; G253-S257 PolarHBondContact O-N 3.1Å; G253-S257 PolarHBondContact O-OG 3.4Å
254Y98.9Very high97.9Very high92 Ų9253.1 Ų53.136%0.36126%0.262SS..Hα-helixtrans-65.3-44.9173.5-179.1-108.9000111.9V228 L233 L250 S251 L252 K256 S257 R258V228-Y254 HydrophobicContact CB-CD1 4.16Å; V228-Y254 HydrophobicContact CB-CE1 4.09Å; V228-Y254 HydrophobicContact CG1-CD1 4.1Å; V228-Y254 HydrophobicContact CG1-CE1 3.89Å; L233-Y254 HydrophobicContact CD2-CD1 3.61Å; L233-Y254 HydrophobicContact CD2-CE1 4.3Å; L233-Y254 HydrophobicContact CD2-CG 4.34Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.13Å; S251-Y254 PolarHBondContact O-N 3.33Å; L252-Y254 VanDerWaalsContact C-N 3.31Å; L252-Y254 PolarHBondContact O-N 3.21Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-S257 WeakPolarHBondContact CA-OG 3.49Å; Y254-S257 PolarHBondContact O-N 3.39Å; Y254-S257 PolarHBondContact O-OG 3.03Å; Y254-R258 HydrophobicContact CD2-CB 4.23Å; Y254-R258 HydrophobicContact CE1-CB 4.36Å; Y254-R258 HydrophobicContact CE1-CG 4.42Å; Y254-R258 HydrophobicContact CE2-CB 3.89Å; Y254-R258 HydrophobicContact CE2-CG 4.11Å; Y254-R258 WeakPolarHBondContact O-CB 3.36Å; Y254-R258 PolarHBondContact O-N 2.87Å; Y254-R258 PolarHBondContact OH-NH1 2.87Å
255M98.6Very high97.9Very high0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-58.6-44.7175.7-171.6176.362.400111.9I225 V228 L230 S251 L252 V259 K260 G261I225-M255 HydrophobicContact CG1-SD 3.81Å; V228-M255 HydrophobicContact CG2-CB 4.09Å; V228-M255 HydrophobicContact CG2-CG 4.07Å; V228-M255 HydrophobicContact CG2-SD 4.39Å; L230-M255 HydrophobicContact CD2-CE 4.11Å; L230-M255 HydrophobicContact CD2-SD 4.07Å; S251-M255 PolarHBondContact O-N 2.6Å; S251-M255 VanDerWaalsContact O-N 3.09Å; L252-M255 HydrophobicContact CD2-CE 4.23Å; L252-M255 PolarHBondContact O-N 3.5Å; M255-V259 HydrophobicContact CG-CG2 3.8Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.2Å; M255-V259 VanDerWaalsContact O-N 3.13Å; M255-K260 PolarHBondContact O-N 2.89Å; M255-G261 PolarHBondContact O-N 2.91Å
256K97.6Very high97.9Very high99 Ų9947.8 Ų47.843%0.4324%0.236SC..Hα-helixtrans-62.1-50176.6-179.9-179.4-74-179.90111.8L252 G253 Y254 K260 G261 L262L252-K256 PolarHBondContact O-N 2.7Å; G253-K256 PolarHBondContact O-N 3.22Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 2.92Å; K256-K260 WeakPolarHBondContact O-CA 3.37Å; K256-K260 PolarHBondContact O-N 3.01Å; K256-K260 VanDerWaalsContact O-N 3.14Å; K256-G261 WeakPolarHBondContact CA-O 3.26Å; K256-G261 PolarHBondContact N-O 3.47Å; K256-L262 HydrophobicContact CB-CD2 4.44Å; K256-L262 HydrophobicContact CD-CD2 4.26Å; K256-L262 HydrophobicContact CG-CD2 4.09Å
257S98.1Very high97.9Very high91 Ų9143.4 Ų43.464%0.63622%0.215SC*.Hα-helixtrans-72.6-40.7-175.256.20000113.3G253 Y254G253-S257 WeakPolarHBondContact O-CB 3.39Å; G253-S257 PolarHBondContact O-N 3.1Å; G253-S257 PolarHBondContact O-OG 3.4Å; Y254-S257 WeakPolarHBondContact CA-OG 3.49Å; Y254-S257 PolarHBondContact O-N 3.39Å; Y254-S257 PolarHBondContact O-OG 3.03Å
258R98.3Very high97.9Very high167 Ų16743.4 Ų43.463%0.6322%0.216SC*.Hα-helixtrans-83-43.6-173.4-175.762-178.6-89.64.4113.5Y254Y254-R258 HydrophobicContact CD2-CB 4.23Å; Y254-R258 HydrophobicContact CE1-CB 4.36Å; Y254-R258 HydrophobicContact CE1-CG 4.42Å; Y254-R258 HydrophobicContact CE2-CB 3.89Å; Y254-R258 HydrophobicContact CE2-CG 4.11Å; Y254-R258 WeakPolarHBondContact O-CB 3.36Å; Y254-R258 PolarHBondContact O-N 2.87Å; Y254-R258 PolarHBondContact OH-NH1 2.87Å
259V96.6Very high97.9Very high43 Ų4343.7 Ų43.726%0.26122%0.217SC..Hα-helixtrans-123.78-171.8-60.30000113.5K227 V228 M255 G261K227-V259 HydrophobicContact CB-CG1 4.28Å; K227-V259 HydrophobicContact CD-CG1 4.32Å; V228-V259 HydrophobicContact CG1-CG1 4.17Å; V228-V259 HydrophobicContact CG1-CG2 3.92Å; M255-V259 HydrophobicContact CG-CG2 3.8Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.2Å; M255-V259 VanDerWaalsContact O-N 3.13Å; V259-G261 PolarHBondContact O-N 2.97Å
260K95.5Very high97.9Very high176 Ų17644.8 Ų44.877%0.76522%0.218SC*.  trans56.223.6179.2-54.5179.8-177.81790113.3M255 K256M255-K260 PolarHBondContact O-N 2.89Å; K256-K260 WeakPolarHBondContact O-CA 3.37Å; K256-K260 PolarHBondContact O-N 3.01Å; K256-K260 VanDerWaalsContact O-N 3.14Å
261G93.7Very high97.9Very high0 Ų044.8 Ų44.80%022%0.222CC..  trans-86.3146178.500000111.4S224 M255 K256 V259S224-G261 VanDerWaalsContact OG-CA 3.25Å; S224-G261 WeakPolarHBondContact OG-CA 3.23Å; M255-G261 PolarHBondContact O-N 2.91Å; K256-G261 WeakPolarHBondContact CA-O 3.26Å; K256-G261 PolarHBondContact N-O 3.47Å; V259-G261 PolarHBondContact O-N 2.97Å
262L95.8Very high97.8Very high47 Ų4744.8 Ų44.825%0.24622%0.222CC..  trans-120.8155.1170.7-55.8178.9000109.3H221 K256H221-L262 PolarHBondContact N-O 3.31Å; K256-L262 HydrophobicContact CB-CD2 4.44Å; K256-L262 HydrophobicContact CD-CD2 4.26Å; K256-L262 HydrophobicContact CG-CD2 4.09Å
263G96.3Very high97.8Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans175-158.6178.600000110.5T219 W278 T279 S280T219-G263 CarbonylContact O-C 3.55Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; G263-W278 CarbonylContact O-C 3.58Å; G263-W278 WeakPolarHBondContact O-CA 3.35Å; G263-W278 WeakPolarHBondContact O-CB 3.36Å; G263-T279 PolarHBondContact N-OG1 3.09Å; G263-T279 PolarHBondContact O-N 3.38Å; G263-T279 PolarHBondContact O-OG1 2.81Å; G263-S280 PolarHBondContact O-N 2.88Å
264G98.3Very high97.8Very high0 Ų050.6 Ų50.60%024%0.241CC..EExtended strand (participates in β ladder)trans-155.3174173.700000111.7T218 T219 K277T218-G264 WeakPolarHBondContact CA-O 3.49Å; T219-G264 PolarHBondContact N-O 2.82Å; T219-G264 PolarHBondContact O-N 3.01Å; G264-K277 CarbonylContact C-O 3.51Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å
265L98.8Very high97.8Very high0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-149.9157.7179.764.784.4000110.9I216 S217 T218 L230 T234 A248 L252 V267 K277I216-L265 HydrophobicContact CG2-CB 4.34Å; S217-L265 VanDerWaalsContact O-CA 3.31Å; S217-L265 WeakPolarHBondContact O-CA 3.39Å; T218-L265 HydrophobicContact CG2-CB 4.04Å; L230-L265 HydrophobicContact CD1-CD2 4.44Å; L230-L265 HydrophobicContact CG-CD2 4.35Å; T234-L265 HydrophobicContact CG2-CD1 4.35Å; T234-L265 HydrophobicContact CG2-CD2 4.09Å; T234-L265 WeakPolarHBondContact OG1-CD2 3.35Å; A248-L265 HydrophobicContact CB-CD1 3.76Å; A248-L265 HydrophobicContact CB-CD2 4.48Å; A248-L265 HydrophobicContact CB-CG 4.41Å; L252-L265 HydrophobicContact CD1-CD2 4.3Å; L252-L265 HydrophobicContact CD1-CG 4.3Å; L252-L265 HydrophobicContact CD2-CD2 4.15Å; L252-L265 HydrophobicContact CG-CD2 3.95Å; L252-L265 HydrophobicContact CG-CG 4.45Å; L265-V267 HydrophobicContact CD1-CB 4.34Å; L265-V267 HydrophobicContact CD1-CG1 4.15Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.47Å
266I98.9Very high97.8Very high0 Ų047.7 Ų47.70%023%0.234CC..EExtended strand (participates in β ladder)trans-119.1145165.359.9174000108.5V6 H8 V172 I216 S217 V275 A276 M283V6-I266 HydrophobicContact CB-CB 4.36Å; V6-I266 HydrophobicContact CB-CD1 4.09Å; V6-I266 HydrophobicContact CG1-CB 3.77Å; V6-I266 HydrophobicContact CG1-CD1 4.04Å; V6-I266 HydrophobicContact CG1-CG1 4.49Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 WeakPolarHBondContact O-CD1 3.28Å; H8-I266 HydrophobicContact CB-CD1 4.35Å; H8-I266 HydrophobicContact CB-CG2 3.91Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.16Å; V172-I266 HydrophobicContact CG2-CB 4.49Å; V172-I266 HydrophobicContact CG2-CD1 3.95Å; V172-I266 HydrophobicContact CG2-CG1 4.02Å; I216-I266 WeakPolarHBondContact CA-O 3.32Å; S217-I266 PolarHBondContact N-O 3.3Å; S217-I266 PolarHBondContact O-N 2.82Å; I266-V275 WeakPolarHBondContact CA-O 3.46Å; I266-A276 HydrophobicContact CG2-CB 3.87Å; I266-M283 HydrophobicContact CG2-CE 4.05Å
267V98.9Very high97.9Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-140.6144.1179.955.40000110.8A215 I216 I238 V244 L265 W274 V275A215-V267 WeakPolarHBondContact O-CA 3.48Å; I216-V267 HydrophobicContact CD1-CB 4.04Å; I216-V267 HydrophobicContact CD1-CG2 3.78Å; I216-V267 HydrophobicContact CG1-CB 3.76Å; I216-V267 HydrophobicContact CG1-CG2 3.57Å; I238-V267 HydrophobicContact CD1-CG2 3.86Å; V244-V267 HydrophobicContact CB-CG1 3.88Å; V244-V267 HydrophobicContact CG1-CG1 4.35Å; V244-V267 HydrophobicContact CG1-CG2 4.29Å; L265-V267 HydrophobicContact CD1-CB 4.34Å; L265-V267 HydrophobicContact CD1-CG1 4.15Å; V267-W274 WeakPolarHBondContact O-CA 3.31Å; V267-W274 WeakPolarHBondContact O-CB 3.46Å; V267-V275 HydrophobicContact CG1-CG1 3.48Å; V267-V275 VanDerWaalsContact CG1-CG1 3.48Å; V267-V275 PolarHBondContact N-O 2.91Å; V267-V275 PolarHBondContact O-N 2.94Å; V267-V275 VanDerWaalsContact O-N 3.14Å
268V98.9Very high97.9Very high1 Ų143.1 Ų43.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-126.3128.9163.662.80000109I4 V172 L174 G214 A215 D273I4-V268 HydrophobicContact CG2-CG2 3.59Å; V172-V268 HydrophobicContact CB-CG1 3.95Å; V172-V268 HydrophobicContact CG2-CB 4.18Å; V172-V268 HydrophobicContact CG2-CG1 3.83Å; L174-V268 HydrophobicContact CB-CG2 3.92Å; G214-V268 CarbonylContact C-O 3.56Å; G214-V268 WeakPolarHBondContact CA-O 3.36Å; A215-V268 HydrophobicContact CB-CG1 4.11Å; A215-V268 PolarHBondContact N-O 2.73Å; A215-V268 PolarHBondContact O-N 2.86Å; V268-D273 CarbonylContact C-O 3.42Å; V268-D273 WeakPolarHBondContact CA-O 3.32Å
269S98.8Very high97.9Very high5 Ų536.6 Ų36.64%0.03518%0.181CC..EExtended strand (participates in β ladder)trans-80.9162.9173.573.20000111.1T271 G272 D273S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 2.92Å; S269-T271 PolarHBondContact OG-OG1 3.06Å; S269-G272 PolarHBondContact O-N 3.35Å; S269-G272 PolarHBondContact OG-N 3.35Å; S269-D273 PolarHBondContact N-O 3.32Å; S269-D273 WeakPolarHBondContact OG-CB 3.37Å; S269-D273 PolarHBondContact OG-N 2.81Å; S269-D273 VanDerWaalsContact OG-N 3.09Å; S269-D273 PolarHBondContact OG-O 3.02Å
270K98.6Very high97.8Very high103 Ų10335.5 Ų35.545%0.44817%0.174SC..THydrogen-bonded Turntrans-59.2-18.6171.969.5176.1172.8-166.10114.3M1 N211 D212 I213M1-K270 WeakPolarHBondContact CE-O 3.5Å; N211-K270 WeakPolarHBondContact O-CB 3.3Å; D212-K270 WeakPolarHBondContact O-CD 3.32Å; D212-K270 WeakPolarHBondContact O-CE 3.48Å; D212-K270 PolarHBondContact O-NZ 2.77Å; I213-K270 PolarHBondContact O-N 3.39Å
271T98.3Very high97.7Very high84 Ų8429.9 Ų29.952%0.51516%0.155SC..THydrogen-bonded Turntrans-90.1-4.1176.150.10000112.9M1 S269 D273M1-T271 VanDerWaalsContact CE-O 3.26Å; M1-T271 WeakPolarHBondContact CE-O 3.38Å; S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 2.92Å; S269-T271 PolarHBondContact OG-OG1 3.06Å; T271-D273 PolarHBondContact OG1-OD2 3.36Å
272G98.3Very high97.7Very high1 Ų129.9 Ų29.91%0.0116%0.155CC..SBendtrans84.413179.100000114.6S269 K289S269-G272 PolarHBondContact O-N 3.35Å; S269-G272 PolarHBondContact OG-N 3.35Å; G272-K289 PolarHBondContact O-NZ 3.38Å
273D98.8Very high97.8Very high92 Ų9227.7 Ų27.749%0.49214%0.144SC..  trans-74143.9166.3-56-57.2000108.8V244 V268 S269 T271V244-D273 HydrophobicContact CG1-CB 4.13Å; V244-D273 HydrophobicContact CG2-CB 4.12Å; V268-D273 CarbonylContact C-O 3.42Å; V268-D273 WeakPolarHBondContact CA-O 3.32Å; S269-D273 PolarHBondContact N-O 3.32Å; S269-D273 WeakPolarHBondContact OG-CB 3.37Å; S269-D273 PolarHBondContact OG-N 2.81Å; S269-D273 VanDerWaalsContact OG-N 3.09Å; S269-D273 PolarHBondContact OG-O 3.02Å; T271-D273 PolarHBondContact OG1-OD2 3.36Å
274W98.8Very high97.8Very high62 Ų6227.7 Ų27.724%0.23514%0.144CC..EExtended strand (participates in β ladder)trans-147.7155.8-175.166.9-85.5000111.6I4 V6 V267 W285 A287 H294I4-W274 HydrophobicContact CD1-CB 3.63Å; I4-W274 HydrophobicContact CD1-CD2 3.84Å; I4-W274 HydrophobicContact CD1-CG 3.19Å; V6-W274 HydrophobicContact CG2-CB 4.06Å; V6-W274 HydrophobicContact CG2-CD2 4.33Å; V6-W274 HydrophobicContact CG2-CE3 4.15Å; V6-W274 HydrophobicContact CG2-CG 4.33Å; V267-W274 WeakPolarHBondContact O-CA 3.31Å; V267-W274 WeakPolarHBondContact O-CB 3.46Å; W274-W285 AromaticContact CH2-CH2 3.91Å; W274-W285 HydrophobicContact CH2-CH2 3.91Å; W274-W285 AromaticContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CZ3-CE3 4.21Å; W274-W285 HydrophobicContact CZ3-CH2 4.02Å; W274-W285 AromaticContact CZ3-CZ3 3.48Å; W274-W285 HydrophobicContact CZ3-CZ3 3.48Å; W274-W285 VanDerWaalsContact CZ3-CZ3 3.48Å; W274-A287 HydrophobicContact CD2-CB 4.07Å; W274-A287 HydrophobicContact CE3-CB 3.76Å; W274-A287 HydrophobicContact CH2-CB 3.52Å; W274-A287 HydrophobicContact CZ2-CB 3.81Å; W274-A287 HydrophobicContact CZ3-CB 3.49Å; W274-A287 VanDerWaalsContact CZ3-CB 3.49Å; W274-H294 HydrophobicContact CH2-CB 4Å; W274-H294 HydrophobicContact CZ2-CB 4.44Å
275V98.8Very high97.8Very high21 Ų2128.4 Ų28.413%0.12715%0.146CC..EExtended strand (participates in β ladder)trans-155.4154.217175.60000111V244 E245 A248 I266 V267 K277V244-V275 HydrophobicContact CB-CG1 4.17Å; V244-V275 HydrophobicContact CG2-CB 4.19Å; V244-V275 HydrophobicContact CG2-CG1 4.16Å; E245-V275 HydrophobicContact CB-CG2 4.43Å; A248-V275 HydrophobicContact CB-CG1 4.2Å; I266-V275 WeakPolarHBondContact CA-O 3.46Å; V267-V275 HydrophobicContact CG1-CG1 3.48Å; V267-V275 VanDerWaalsContact CG1-CG1 3.48Å; V267-V275 PolarHBondContact N-O 2.91Å; V267-V275 PolarHBondContact O-N 2.94Å; V267-V275 VanDerWaalsContact O-N 3.14Å; V275-K277 HydrophobicContact CB-CG 4.45Å; V275-K277 HydrophobicContact CG1-CG 3.95Å; V275-K277 HydrophobicContact CG2-CD 3.8Å; V275-K277 HydrophobicContact CG2-CG 3.69Å
276A98.7Very high97.8Very high10 Ų1028.4 Ų28.48%0.08315%0.146CC..EExtended strand (participates in β ladder)trans-115.4121.9164.400000108.5I266 M283 W285I266-A276 HydrophobicContact CG2-CB 3.87Å; A276-M283 HydrophobicContact CB-CE 3.87Å; A276-W285 HydrophobicContact CB-CB 4Å; A276-W285 HydrophobicContact CB-CD2 3.71Å; A276-W285 HydrophobicContact CB-CE3 4Å; A276-W285 HydrophobicContact CB-CG 3.7Å
277K98.6Very high97.8Very high45 Ų4528.4 Ų28.420%0.19615%0.146CC..EExtended strand (participates in β ladder)trans-137146.1-178.2-62-70.8-74.9-153.60110.6E245 A248 D249 L252 G264 L265 V275E245-K277 HydrophobicContact CG-CD 4.29Å; E245-K277 IonicContact OE1-NZ 2.73Å; E245-K277 PolarHBondContact OE1-NZ 3.25Å; A248-K277 HydrophobicContact CB-CB 3.9Å; A248-K277 HydrophobicContact CB-CG 3.8Å; D249-K277 WeakPolarHBondContact OD1-CE 3.23Å; D249-K277 IonicContact OD1-NZ 3.76Å; D249-K277 PolarHBondContact OD1-NZ 2.97Å; D249-K277 IonicContact OD2-NZ 3.43Å; D249-K277 PolarHBondContact OD2-NZ 3.18Å; L252-K277 HydrophobicContact CD1-CB 3.96Å; G264-K277 CarbonylContact C-O 3.51Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.47Å; V275-K277 HydrophobicContact CB-CG 4.45Å; V275-K277 HydrophobicContact CG1-CG 3.95Å; V275-K277 HydrophobicContact CG2-CD 3.8Å; V275-K277 HydrophobicContact CG2-CG 3.69Å
278W98.3Very high97.8Very high48 Ų4828.4 Ų28.418%0.18215%0.146CC..EExtended strand (participates in β ladder)trans-149.7152.7179.263.597.3000111.8G263 S280 T281 M283 W285 P299G263-W278 CarbonylContact O-C 3.58Å; G263-W278 WeakPolarHBondContact O-CA 3.35Å; G263-W278 WeakPolarHBondContact O-CB 3.36Å; W278-S280 VanDerWaalsContact CD1-O 3.23Å; W278-T281 PolarHBondContact NE1-O 3.22Å; W278-M283 HydrophobicContact CB-CB 3.89Å; W278-M283 HydrophobicContact CB-SD 4.09Å; W278-M283 HydrophobicContact CD2-CB 3.67Å; W278-M283 HydrophobicContact CE3-CB 3.89Å; W278-M283 HydrophobicContact CE3-CE 3.82Å; W278-M283 HydrophobicContact CG-CB 3.67Å; W278-M283 HydrophobicContact CZ3-CE 4.49Å; W278-W285 AromaticContact CH2-NE1 3.82Å; W278-W285 AromaticContact CZ3-CD1 3.74Å; W278-W285 AromaticContact CZ3-NE1 3.74Å; W278-P299 HydrophobicContact CZ2-CG 4.08Å
279T97.4Very high97.8Very high31 Ų3130.3 Ų30.319%0.1916%0.155CC..SBendtrans-109.3-5.8170.9600000112.9L252 G263L252-T279 HydrophobicContact CB-CG2 3.76Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å; G263-T279 PolarHBondContact N-OG1 3.09Å; G263-T279 PolarHBondContact O-N 3.38Å; G263-T279 PolarHBondContact O-OG1 2.81Å
280S94.8Very high97.6Very high19 Ų1934.6 Ų34.613%0.13318%0.177CC..SBendtrans-68.2-177.6167.757.20000110.9G11 A12 G263 W278 S282G11-S280 VanDerWaalsContact C-OG 3.23Å; G11-S280 WeakPolarHBondContact CA-OG 3.27Å; A12-S280 PolarHBondContact N-OG 3.32Å; A12-S280 WeakPolarHBondContact O-CB 3.24Å; G263-S280 PolarHBondContact O-N 2.88Å; W278-S280 VanDerWaalsContact CD1-O 3.23Å; S280-S282 PolarHBondContact OG-O 2.87Å
281T94.1Very high97.3Very high58 Ų5831 Ų3136%0.35617%0.169SC..SBendtrans-69.7-49.8176.8-49.20000111.1A12 P14 W278A12-T281 PolarHBondContact O-N 3.36Å; A12-T281 VanDerWaalsContact O-N 3.09Å; P14-T281 HydrophobicContact CB-CG2 4.2Å; W278-T281 PolarHBondContact NE1-O 3.22Å
282S94.4Very high97.2Very high1 Ų131.8 Ų31.81%0.00717%0.165CC..BIsolated β-bridgetrans-136.4156.1-176.5-520000109.9G11 A12 S280 I297 D298G11-S282 WeakPolarHBondContact CA-O 3.26Å; A12-S282 PolarHBondContact N-O 3.08Å; A12-S282 PolarHBondContact O-N 3.35Å; S280-S282 PolarHBondContact OG-O 2.87Å; S282-I297 WeakPolarHBondContact CA-O 3.33Å; S282-D298 WeakPolarHBondContact CB-OD1 3.4Å; S282-D298 PolarHBondContact OG-OD1 3.29Å
283M97Very high97.2Very high0 Ų032 Ų320%017%0.166CC..  trans-148.6106.6167-173.2178.380.500108.6H8 G10 T219 I266 A276 W278 W285 I297H8-M283 HydrophobicContact CB-SD 4.47Å; G10-M283 WeakPolarHBondContact O-CA 3.33Å; T219-M283 HydrophobicContact CG2-CG 4.25Å; T219-M283 HydrophobicContact CG2-SD 3.76Å; I266-M283 HydrophobicContact CG2-CE 4.05Å; A276-M283 HydrophobicContact CB-CE 3.87Å; W278-M283 HydrophobicContact CB-CB 3.89Å; W278-M283 HydrophobicContact CB-SD 4.09Å; W278-M283 HydrophobicContact CD2-CB 3.67Å; W278-M283 HydrophobicContact CE3-CB 3.89Å; W278-M283 HydrophobicContact CE3-CE 3.82Å; W278-M283 HydrophobicContact CG-CB 3.67Å; W278-M283 HydrophobicContact CZ3-CE 4.49Å; M283-W285 HydrophobicContact CE-CB 4.38Å; M283-W285 VanDerWaalsContact O-CD1 3.27Å; M283-W285 PolarHBondContact O-N 3.03Å; M283-I297 PolarHBondContact N-O 2.88Å
284P97.2Very high97.2Very high1 Ų129.5 Ų29.51%0.00615%0.152CC..  trans-59.9130.3172.4-2334.7000110.2H8 G9 G10 I15 M23 I27 G296 I297H8-P284 CarbonylContact C-O 3.53Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å; G9-P284 PolarHBondContact N-O 3.15Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.21Å; I15-P284 HydrophobicContact CD1-CG 3.57Å; M23-P284 HydrophobicContact CE-CB 4.36Å; M23-P284 HydrophobicContact CE-CG 3.59Å; M23-P284 HydrophobicContact SD-CG 4.25Å; I27-P284 HydrophobicContact CD1-CB 4.41Å; I27-P284 HydrophobicContact CG1-CB 3.91Å; P284-G296 WeakPolarHBondContact CA-O 3.42Å; P284-I297 HydrophobicContact CB-CG1 4.21Å; P284-I297 HydrophobicContact CG-CG1 4.41Å; P284-I297 HydrophobicContact CG-CG2 4.27Å
285W98.6Very high97.1Very high14 Ų1428.2 Ų28.25%0.05315%0.148CC..EExtended strand (participates in β ladder)trans-149.2154.1-179.569.5-88.8000111.3V7 I27 W274 A276 W278 M283 A287 H294 F295 G296 T302V7-W285 VanDerWaalsContact O-CA 3.25Å; V7-W285 WeakPolarHBondContact O-CA 3.45Å; I27-W285 VanDerWaalsContact CG2-C 3.41Å; I27-W285 WeakPolarHBondContact CG2-O 3.31Å; W274-W285 AromaticContact CH2-CH2 3.91Å; W274-W285 HydrophobicContact CH2-CH2 3.91Å; W274-W285 AromaticContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CZ3-CE3 4.21Å; W274-W285 HydrophobicContact CZ3-CH2 4.02Å; W274-W285 AromaticContact CZ3-CZ3 3.48Å; W274-W285 HydrophobicContact CZ3-CZ3 3.48Å; W274-W285 VanDerWaalsContact CZ3-CZ3 3.48Å; A276-W285 HydrophobicContact CB-CB 4Å; A276-W285 HydrophobicContact CB-CD2 3.71Å; A276-W285 HydrophobicContact CB-CE3 4Å; A276-W285 HydrophobicContact CB-CG 3.7Å; W278-W285 AromaticContact CH2-NE1 3.82Å; W278-W285 AromaticContact CZ3-CD1 3.74Å; W278-W285 AromaticContact CZ3-NE1 3.74Å; M283-W285 HydrophobicContact CE-CB 4.38Å; M283-W285 VanDerWaalsContact O-CD1 3.27Å; M283-W285 PolarHBondContact O-N 3.03Å; W285-A287 HydrophobicContact CZ3-CB 4.11Å; W285-H294 HydrophobicContact CH2-CB 3.87Å; W285-H294 HydrophobicContact CZ3-CB 3.75Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.06Å; W285-G296 PolarHBondContact N-O 3.23Å; W285-G296 PolarHBondContact O-N 2.93Å; W285-T302 HydrophobicContact CH2-CG2 3.79Å; W285-T302 HydrophobicContact CZ2-CG2 3.78Å
286A98.6Very high97Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-143.3153.9164.300000111.5V6 V7 I27 A31 L293 H294 F295V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.24Å; V6-A286 WeakPolarHBondContact CG1-O 3.43Å; V7-A286 HydrophobicContact CG2-CB 3.93Å; V7-A286 PolarHBondContact N-O 3.29Å; V7-A286 PolarHBondContact O-N 3.39Å; I27-A286 HydrophobicContact CG2-CB 3.27Å; A31-A286 HydrophobicContact CB-CB 3.87Å; A286-L293 HydrophobicContact CB-CD1 4.27Å; A286-H294 CarbonylContact C-O 3.57Å; A286-H294 WeakPolarHBondContact CA-O 3.48Å; A286-H294 VanDerWaalsContact CB-O 3.24Å; A286-H294 WeakPolarHBondContact CB-O 3.29Å; A286-F295 HydrophobicContact CB-CB 4.02Å
287A98.8Very high96.8Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-134135.1173.300000109.9V5 V6 W274 W285 L293 H294V5-A287 CarbonylContact O-C 3.52Å; V5-A287 VanDerWaalsContact O-CA 3.32Å; V5-A287 WeakPolarHBondContact O-CA 3.45Å; V6-A287 HydrophobicContact CB-CB 4.45Å; V6-A287 HydrophobicContact CG1-CB 4.18Å; V6-A287 HydrophobicContact CG2-CB 3.98Å; W274-A287 HydrophobicContact CD2-CB 4.07Å; W274-A287 HydrophobicContact CE3-CB 3.76Å; W274-A287 HydrophobicContact CH2-CB 3.52Å; W274-A287 HydrophobicContact CZ2-CB 3.81Å; W274-A287 HydrophobicContact CZ3-CB 3.49Å; W274-A287 VanDerWaalsContact CZ3-CB 3.49Å; W285-A287 HydrophobicContact CZ3-CB 4.11Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A287-H294 HydrophobicContact CB-CB 4.32Å; A287-H294 PolarHBondContact N-O 3.21Å; A287-H294 PolarHBondContact O-N 2.79Å
288A98.7Very high96.6Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-118.6120.4176.200000109.6I4 V5 Y35 K292 L293 L307I4-A288 WeakPolarHBondContact CA-O 3.45Å; V5-A288 HydrophobicContact CG1-CB 3.94Å; V5-A288 PolarHBondContact N-O 3.43Å; V5-A288 PolarHBondContact O-N 3.08Å; Y35-A288 HydrophobicContact CD1-CB 4.18Å; Y35-A288 HydrophobicContact CD2-CB 3.69Å; Y35-A288 WeakPolarHBondContact CD2-O 3.33Å; Y35-A288 HydrophobicContact CE2-CB 4.39Å; Y35-A288 WeakPolarHBondContact CE2-O 3.43Å; Y35-A288 HydrophobicContact CG-CB 3.58Å; A288-K292 WeakPolarHBondContact CA-O 3.22Å; A288-L293 HydrophobicContact CB-CD1 4.04Å; A288-L307 HydrophobicContact CB-CD1 3.66Å
289K98.1Very high96.3Very high42 Ų4229 Ų2918%0.18316%0.161CC..EExtended strand (participates in β ladder)trans-156.9145.7179.4-170.8-179.2177.3178.50109.6I4 G272 G291 K292I4-K289 HydrophobicContact CB-CB 4.11Å; I4-K289 HydrophobicContact CB-CD 4.11Å; I4-K289 HydrophobicContact CB-CG 4.06Å; I4-K289 HydrophobicContact CD1-CB 4.08Å; I4-K289 HydrophobicContact CD1-CD 3.93Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.14Å; I4-K289 HydrophobicContact CG1-CD 4.47Å; G272-K289 PolarHBondContact O-NZ 3.38Å; K289-G291 PolarHBondContact O-N 3.27Å; K289-G291 VanDerWaalsContact O-N 3.09Å; K289-K292 PolarHBondContact N-O 2.73Å; K289-K292 PolarHBondContact O-N 2.56Å
290D95.4Very high95.9Very high95 Ų9535.6 Ų35.651%0.50820%0.195SC..THydrogen-bonded Turntrans53.833.5174.5-58-40.1000113.9N2 Y35 K292N2-D290 PolarHBondContact ND2-OD1 2.76Å; Y35-D290 PolarHBondContact OH-N 2.66Å; D290-K292 PolarHBondContact O-N 3.19Å
291G91.4Very high95.8Very high27 Ų2737.6 Ų37.628%0.27821%0.205SC..THydrogen-bonded Turntrans72.713.4-179.200000114.2Y35 K289 L307Y35-G291 PolarHBondContact OH-N 3.09Å; K289-G291 PolarHBondContact O-N 3.27Å; K289-G291 VanDerWaalsContact O-N 3.09Å; G291-L307 PolarHBondContact O-N 2.83Å
292K97.6Very high95.9Very high100 Ų10038.2 Ų38.244%0.43521%0.208SC..EExtended strand (participates in β ladder)trans-117.9143.2176.2-63.9-169.3175.6-170.20111.4A288 K289 D290 I304 T305 L307A288-K292 WeakPolarHBondContact CA-O 3.22Å; K289-K292 PolarHBondContact N-O 2.73Å; K289-K292 PolarHBondContact O-N 2.56Å; D290-K292 PolarHBondContact O-N 3.19Å; K292-I304 HydrophobicContact CB-CG2 4.2Å; K292-I304 HydrophobicContact CD-CG2 4.1Å; K292-T305 WeakPolarHBondContact CA-O 3.17Å; K292-L307 VanDerWaalsContact C-CD1 3.45Å; K292-L307 WeakPolarHBondContact O-CD1 3.5Å
293L98.1Very high96Very high6 Ų640 Ų403%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-109120174.5-172.567.5000109V28 A31 A286 A287 A288 I304 T305 L307V28-L293 HydrophobicContact CB-CD2 4.14Å; V28-L293 HydrophobicContact CG1-CD2 3.63Å; V28-L293 HydrophobicContact CG2-CD2 3.84Å; A31-L293 HydrophobicContact CB-CD1 3.7Å; A286-L293 HydrophobicContact CB-CD1 4.27Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A288-L293 HydrophobicContact CB-CD1 4.04Å; L293-I304 CarbonylContact O-C 3.23Å; L293-I304 VanDerWaalsContact O-CA 3.29Å; L293-I304 WeakPolarHBondContact O-CA 3.29Å; L293-T305 PolarHBondContact N-O 2.91Å; L293-T305 PolarHBondContact O-N 3.06Å; L293-L307 HydrophobicContact CB-CD1 3.82Å; L293-L307 HydrophobicContact CB-CG 3.98Å; L293-L307 HydrophobicContact CD1-CD1 4.36Å
294H98.3Very high95.9Very high39 Ų3944.6 Ų44.618%0.18125%0.247CC..EExtended strand (participates in β ladder)trans-99.6139.1170.2-59-108.3000108.2W274 W285 A286 A287 A303W274-H294 HydrophobicContact CH2-CB 4Å; W274-H294 HydrophobicContact CZ2-CB 4.44Å; W285-H294 HydrophobicContact CH2-CB 3.87Å; W285-H294 HydrophobicContact CZ3-CB 3.75Å; A286-H294 CarbonylContact C-O 3.57Å; A286-H294 WeakPolarHBondContact CA-O 3.48Å; A286-H294 VanDerWaalsContact CB-O 3.24Å; A286-H294 WeakPolarHBondContact CB-O 3.29Å; A287-H294 HydrophobicContact CB-CB 4.32Å; A287-H294 PolarHBondContact N-O 3.21Å; A287-H294 PolarHBondContact O-N 2.79Å; H294-A303 WeakPolarHBondContact CA-O 3.38Å
295F96.4Very high95.9Very high35 Ų3547.7 Ų47.715%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-151.1154.7174.162.2-92.6000111.6H24 V28 W285 A286 T302 A303 T305H24-F295 AromaticContact CD2-CD2 3.23Å; H24-F295 WeakPolarHBondContact CD2-CD2 3.48Å; H24-F295 AromaticContact CD2-CE2 3.34Å; H24-F295 WeakPolarHBondContact CD2-CE2 3.23Å; H24-F295 AromaticContact CD2-CG 3.82Å; H24-F295 AromaticContact NE2-CD1 3.9Å; H24-F295 AromaticContact NE2-CD2 3.33Å; H24-F295 VanDerWaalsContact NE2-CD2 3.33Å; H24-F295 WeakPolarHBondContact NE2-CD2 3.42Å; H24-F295 AromaticContact NE2-CE1 3.68Å; H24-F295 AromaticContact NE2-CE2 3.05Å; H24-F295 WeakPolarHBondContact NE2-CE2 3.05Å; H24-F295 AromaticContact NE2-CG 3.73Å; H24-F295 AromaticContact NE2-CZ 3.23Å; H24-F295 WeakPolarHBondContact NE2-CZ 3.34Å; V28-F295 HydrophobicContact CG2-CD1 4.48Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.06Å; A286-F295 HydrophobicContact CB-CB 4.02Å; F295-T302 WeakPolarHBondContact O-CA 3.46Å; F295-A303 HydrophobicContact CD2-CB 4.26Å; F295-A303 HydrophobicContact CE1-CB 3.87Å; F295-A303 HydrophobicContact CE2-CB 3.59Å; F295-A303 HydrophobicContact CZ-CB 3.37Å; F295-A303 PolarHBondContact N-O 3.35Å; F295-A303 PolarHBondContact O-N 2.91Å; F295-T305 HydrophobicContact CE1-CG2 3.99Å
296G96.4Very high95.6Very high5 Ų553.1 Ų53.15%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-167.5170177.600000112.4P284 W285 D301P284-G296 WeakPolarHBondContact CA-O 3.42Å; W285-G296 PolarHBondContact N-O 3.23Å; W285-G296 PolarHBondContact O-N 2.93Å; G296-D301 WeakPolarHBondContact CA-OD1 3.23Å
297I95.1Very high95.1Very high13 Ų1354.1 Ų54.17%0.06730%0.3CS..SBendtrans-134-49.4176.9-62.5178.7000110.6I15 K20 S282 M283 P284 D301I15-I297 HydrophobicContact CD1-CG2 3.61Å; K20-I297 HydrophobicContact CB-CD1 3.98Å; K20-I297 HydrophobicContact CG-CD1 4.02Å; S282-I297 WeakPolarHBondContact CA-O 3.33Å; M283-I297 PolarHBondContact N-O 2.88Å; P284-I297 HydrophobicContact CB-CG1 4.21Å; P284-I297 HydrophobicContact CG-CG1 4.41Å; P284-I297 HydrophobicContact CG-CG2 4.27Å; I297-D301 PolarHBondContact N-OD1 2.79Å; I297-D301 PolarHBondContact N-OD2 2.89Å
298D94.9Very high93.6Very high41 Ų4161.4 Ų61.422%0.21935%0.348CS..SBendtrans-104.2164.3-179.7-68.9-23.8000111.2K20 S282 D300 D301K20-D298 IonicContact NZ-OD2 2.56Å; K20-D298 PolarHBondContact NZ-OD2 3.03Å; S282-D298 WeakPolarHBondContact CB-OD1 3.4Å; S282-D298 PolarHBondContact OG-OD1 3.29Å; D298-D300 PolarHBondContact O-N 2.97Å; D298-D301 HydrophobicContact CB-CB 4.46Å; D298-D301 VanDerWaalsContact N-CG 3.28Å; D298-D301 PolarHBondContact N-OD1 3.41Å; D298-D301 PolarHBondContact N-OD2 3.16Å; D298-D301 VanDerWaalsContact O-CG 3.23Å; D298-D301 PolarHBondContact O-N 2.88Å
299P91.6Very high93.3Very high81 Ų8164.5 Ų64.553%0.52637%0.365SS..THydrogen-bonded Turntrans-57.4138.1174.5-25.635.8000111.1W278 D301W278-P299 HydrophobicContact CZ2-CG 4.08Å; P299-D301 PolarHBondContact O-N 3.29Å; P299-D301 VanDerWaalsContact O-N 3.16Å
300D89.1Confident93.1Very high170 Ų17065.6 Ų65.691%0.90938%0.375SS*.THydrogen-bonded Turntrans61.616.6175.9-49.8-46.4000115.8D298D298-D300 PolarHBondContact O-N 2.97Å
301D93.1Very high92.9Very high62 Ų6264 Ų6433%0.33237%0.367SS..  trans-98.213.6177.283.4-7.9000114.4G296 I297 D298 P299 A303G296-D301 WeakPolarHBondContact CA-OD1 3.23Å; I297-D301 PolarHBondContact N-OD1 2.79Å; I297-D301 PolarHBondContact N-OD2 2.89Å; D298-D301 HydrophobicContact CB-CB 4.46Å; D298-D301 VanDerWaalsContact N-CG 3.28Å; D298-D301 PolarHBondContact N-OD1 3.41Å; D298-D301 PolarHBondContact N-OD2 3.16Å; D298-D301 VanDerWaalsContact O-CG 3.23Å; D298-D301 PolarHBondContact O-N 2.88Å; P299-D301 PolarHBondContact O-N 3.29Å; P299-D301 VanDerWaalsContact O-N 3.16Å; D301-A303 PolarHBondContact O-N 3.43Å
302T95.8Very high93Very high71 Ų7166.2 Ų66.244%0.43637%0.373SS..  trans-64128-172.7-54.70000111.9W285 F295W285-T302 HydrophobicContact CH2-CG2 3.79Å; W285-T302 HydrophobicContact CZ2-CG2 3.78Å; F295-T302 WeakPolarHBondContact O-CA 3.46Å
303A95.4Very high92.8Very high37 Ų3764.1 Ų64.131%0.30637%0.369SS..EExtended strand (participates in β ladder)trans-115.8153.9171.300000110.8H294 F295 D301H294-A303 WeakPolarHBondContact CA-O 3.38Å; F295-A303 HydrophobicContact CD2-CB 4.26Å; F295-A303 HydrophobicContact CE1-CB 3.87Å; F295-A303 HydrophobicContact CE2-CB 3.59Å; F295-A303 HydrophobicContact CZ-CB 3.37Å; F295-A303 PolarHBondContact N-O 3.35Å; F295-A303 PolarHBondContact O-N 2.91Å; D301-A303 PolarHBondContact O-N 3.43Å
304I96.3Very high92.4Very high98 Ų9867.9 Ų67.950%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-129126.3-179.1-52.5176.3000108.3K292 L293K292-I304 HydrophobicContact CB-CG2 4.2Å; K292-I304 HydrophobicContact CD-CG2 4.1Å; L293-I304 CarbonylContact O-C 3.23Å; L293-I304 VanDerWaalsContact O-CA 3.29Å; L293-I304 WeakPolarHBondContact O-CA 3.29Å
305T95.6Very high92Very high65 Ų6570 Ų7040%0.39941%0.406SS..EExtended strand (participates in β ladder)trans-127.7156.7174.559.80000110.4K292 L293 F295K292-T305 WeakPolarHBondContact CA-O 3.17Å; L293-T305 PolarHBondContact N-O 2.91Å; L293-T305 PolarHBondContact O-N 3.06Å; F295-T305 HydrophobicContact CE1-CG2 3.99Å
306D94.1Very high91.6Very high128 Ų12872.7 Ų72.768%0.68443%0.426SS*.EExtended strand (participates in β ladder)trans-73.5139.4171.9-61.5-46.7000109.9
307L86.4Confident91.2Very high21 Ų2178.3 Ų78.311%0.1146%0.457CS..  trans-82.9132.2168.4-90.5133.5000109.1T32 Y35 A288 G291 K292 L293T32-L307 HydrophobicContact CG2-CD2 4.28Å; Y35-L307 HydrophobicContact CD1-CD1 4.01Å; Y35-L307 HydrophobicContact CD1-CD2 4.33Å; Y35-L307 HydrophobicContact CE1-CD1 4.24Å; A288-L307 HydrophobicContact CB-CD1 3.66Å; G291-L307 PolarHBondContact O-N 2.83Å; K292-L307 VanDerWaalsContact C-CD1 3.45Å; K292-L307 WeakPolarHBondContact O-CD1 3.5Å; L293-L307 HydrophobicContact CB-CD1 3.82Å; L293-L307 HydrophobicContact CB-CG 3.98Å; L293-L307 HydrophobicContact CD1-CD1 4.36Å
308P67.8Low90.9Very high153 Ų15384.3 Ų84.399%0.99449%0.492SS*.  trans-62.70171.527.7-33.1000112R39R39-P308 PolarHBondContact NH1-O 3.36Å

Retrieved 308 of 308 residues in 158.9 ms (Link to these results)