A0A024QZK5_HUMAN Loading...

Phenazine biosynthesis-like domain-containing protein

AlphaFold DB (P30039), UniProt , Accession A0A024QZK5, Species HUMAN (Homo sapiens, Human), Gene HEL-S-306, Length 288 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
1M85Confident96.1Very high96 Ų9632.8 Ų32.847%0.47316%0.159SC..  0145.50-179.1-167.3-6200109.8L30 M34 A288M1-L30 HydrophobicContact CE-CD1 3.12Å; M1-L30 HydrophobicContact SD-CD1 3.36Å; M1-L30 WeakPolarHBondContact SD-CD1 3.37Å; M1-M34 HydrophobicContact CE-CB 4.43Å; M1-M34 HydrophobicContact CE-CG 4.02Å; M1-A288 WeakPolarHBondContact CA-O 3.48Å; M1-A288 WeakPolarHBondContact CB-O 3.38Å; M1-A288 PolarHBondContact N-O 2.91Å; M1-A288 PolarHBondContact O-N 2.8Å
2K91.7Very high96.2Very high169 Ų16931.3 Ų31.374%0.73515%0.153SC*.EExtended strand (participates in β ladder)trans-130.2125.5169.8-72.8-173.1177.9-175.90109.2T285 L286K2-T285 HydrophobicContact CB-CG2 3.86Å; K2-T285 HydrophobicContact CG-CG2 4.26Å; K2-L286 WeakPolarHBondContact CA-O 3.14Å
3L94.2Very high96.1Very high7 Ų735.7 Ų35.74%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-132.1121.5-172.9178.663.6000110.6I5 C24 L25 L26 I38 T285 L286L3-I5 PolarHBondContact O-N 3.2Å; L3-C24 HydrophobicContact CD1-CB 4.33Å; L3-C24 HydrophobicContact CD2-CB 3.69Å; L3-C24 HydrophobicContact CG-CB 4.1Å; L3-L25 WeakPolarHBondContact CD1-O 3.49Å; L3-L26 HydrophobicContact CD1-CD2 3.49Å; L3-L26 VanDerWaalsContact CD1-CD2 3.49Å; L3-L26 HydrophobicContact CD2-CD2 4.1Å; L3-L26 HydrophobicContact CG-CD2 4.46Å; L3-I38 HydrophobicContact CD2-CD1 3.99Å; L3-T285 CarbonylContact O-C 3.55Å; L3-T285 WeakPolarHBondContact O-CA 3.2Å; L3-L286 HydrophobicContact CB-CB 4.32Å; L3-L286 PolarHBondContact N-O 3.12Å; L3-L286 PolarHBondContact O-N 2.6Å
4P97.5Very high96.1Very high41 Ų4146.9 Ų46.927%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-58.8125.6170.6-21.332.4000110.1F6 C24 L25P4-F6 HydrophobicContact CB-CE2 4.14Å; P4-C24 WeakPolarHBondContact O-CA 3.39Å; P4-L25 HydrophobicContact CB-CB 4.22Å; P4-L25 HydrophobicContact CG-CB 4.46Å; P4-L25 PolarHBondContact O-N 3.05Å; P4-L25 VanDerWaalsContact O-N 3.07Å
5I98.2Very high96.2Very high10 Ų1046.9 Ų46.95%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-130.5143.2-178.1-168.3165.6000110.6L3 V23 M42 E283 G284 L286L3-I5 PolarHBondContact O-N 3.2Å; I5-V23 CarbonylContact C-O 3.45Å; I5-V23 WeakPolarHBondContact CA-O 3.2Å; I5-M42 HydrophobicContact CD1-CE 4.06Å; I5-M42 HydrophobicContact CD1-CG 4.09Å; I5-M42 HydrophobicContact CD1-SD 3.49Å; I5-M42 WeakPolarHBondContact CD1-SD 3.43Å; I5-E283 CarbonylContact O-C 3.57Å; I5-E283 WeakPolarHBondContact O-CA 3.39Å; I5-G284 PolarHBondContact N-O 3.2Å; I5-G284 PolarHBondContact O-N 3.19Å; I5-L286 HydrophobicContact CB-CB 4.29Å; I5-L286 HydrophobicContact CD1-CB 4.37Å; I5-L286 HydrophobicContact CD1-CD1 3.89Å; I5-L286 HydrophobicContact CG2-CB 4.05Å
6F98.7Very high96.2Very high4 Ų453.4 Ų53.42%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-133.3152.3179.2-53.4-99.5000109.2P4 A22 V23 L25 V89 K93 I94 V280 L282 E283P4-F6 HydrophobicContact CB-CE2 4.14Å; F6-A22 CarbonylContact O-C 3.54Å; F6-A22 WeakPolarHBondContact O-CA 3.24Å; F6-V23 HydrophobicContact CB-CB 4.42Å; F6-V23 PolarHBondContact N-O 2.93Å; F6-V23 PolarHBondContact O-N 3.07Å; F6-L25 HydrophobicContact CE2-CD1 3.74Å; F6-L25 HydrophobicContact CE2-CG 3.96Å; F6-L25 HydrophobicContact CZ-CD1 4.24Å; F6-V89 HydrophobicContact CB-CG2 3.67Å; F6-V89 HydrophobicContact CD1-CG1 4.13Å; F6-V89 HydrophobicContact CD1-CG2 4.32Å; F6-V89 HydrophobicContact CD2-CG1 3.52Å; F6-V89 HydrophobicContact CD2-CG2 4.23Å; F6-V89 HydrophobicContact CE1-CG1 4.2Å; F6-V89 HydrophobicContact CE2-CG1 3.65Å; F6-V89 HydrophobicContact CG-CB 4.5Å; F6-V89 HydrophobicContact CG-CG1 3.79Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 3.99Å; F6-K93 HydrophobicContact CD1-CB 4.38Å; F6-K93 HydrophobicContact CD1-CG 4.1Å; F6-K93 HydrophobicContact CE1-CB 3.83Å; F6-K93 HydrophobicContact CE1-CG 3.99Å; F6-I94 HydrophobicContact CZ-CD1 4.21Å; F6-V280 HydrophobicContact CB-CG1 4.32Å; F6-V280 HydrophobicContact CD1-CG1 4.22Å; F6-L282 CarbonylContact C-O 3.56Å; F6-L282 WeakPolarHBondContact CA-O 3.16Å; F6-E283 HydrophobicContact CD1-CB 3.86Å; F6-E283 HydrophobicContact CD1-CG 3.79Å; F6-E283 HydrophobicContact CE1-CB 4.08Å; F6-E283 VanDerWaalsContact CE1-CD 3.48Å; F6-E283 HydrophobicContact CE1-CG 3.48Å; F6-E283 VanDerWaalsContact CE1-CG 3.48Å; F6-E283 HydrophobicContact CZ-CG 4.32Å
7I98.6Very high96.3Very high30 Ų3057.1 Ų57.115%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-115.4125.2161.9-57.9176.5000107A21 M42 L44 V280 V281 L282I7-A21 WeakPolarHBondContact CA-O 3.49Å; I7-M42 HydrophobicContact CD1-CE 3.83Å; I7-M42 HydrophobicContact CG1-CE 4.04Å; I7-L44 HydrophobicContact CD1-CD1 4.48Å; I7-L44 HydrophobicContact CG1-CD1 4.4Å; I7-L44 HydrophobicContact CG2-CD1 4.02Å; I7-V280 CarbonylContact O-C 3.58Å; I7-V281 HydrophobicContact CB-CG2 3.94Å; I7-V281 HydrophobicContact CG2-CG2 3.72Å; I7-V281 WeakPolarHBondContact O-CG2 3.49Å; I7-V281 PolarHBondContact O-N 3.36Å; I7-L282 HydrophobicContact CB-CB 3.9Å; I7-L282 HydrophobicContact CD1-CB 4.12Å; I7-L282 HydrophobicContact CD1-CD1 4.2Å; I7-L282 HydrophobicContact CD1-CD2 4.45Å; I7-L282 HydrophobicContact CD1-CG 4.5Å; I7-L282 HydrophobicContact CG1-CB 4.04Å; I7-L282 HydrophobicContact CG1-CD2 4.31Å; I7-L282 PolarHBondContact N-O 3.46Å; I7-L282 PolarHBondContact O-N 2.81Å
8A98.6Very high96.4Very high0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-127.8130.3178.200000111A21 A85 A279 V280A8-A21 PolarHBondContact N-O 2.91Å; A8-A21 PolarHBondContact O-N 2.91Å; A8-A85 HydrophobicContact CB-CB 3.94Å; A8-A279 CarbonylContact C-O 3.56Å; A8-A279 WeakPolarHBondContact CA-O 3.35Å; A8-V280 HydrophobicContact CB-CG2 4.05Å
9D98.4Very high96.5Very high3 Ų351.1 Ų51.12%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-85.6106.1174.5-71-31.1000109T12 F16 R17 P20 R258 A278 A279 V281D9-T12 HydrophobicContact CB-CG2 3.73Å; D9-F16 WeakPolarHBondContact OD2-CA 3.29Å; D9-F16 PolarHBondContact OD2-N 2.99Å; D9-R17 VanDerWaalsContact CB-O 3.29Å; D9-R17 WeakPolarHBondContact CB-O 3.29Å; D9-P20 WeakPolarHBondContact OD1-CB 3.36Å; D9-R258 IonicContact OD1-CZ 2.75Å; D9-R258 IonicContact OD1-NH2 2.79Å; D9-R258 PolarHBondContact OD1-NH2 3.28Å; D9-R258 IonicContact OD2-NH2 3.88Å; D9-R258 PolarHBondContact OD2-NH2 3.3Å; D9-A278 VanDerWaalsContact O-CA 3.25Å; D9-A278 WeakPolarHBondContact O-CA 3.36Å; D9-A279 HydrophobicContact CB-CB 4.36Å; D9-A279 PolarHBondContact N-O 3.42Å; D9-A279 PolarHBondContact O-N 2.98Å; D9-V281 VanDerWaalsContact OD2-CG1 3.27Å; D9-V281 WeakPolarHBondContact OD2-CG1 3.36Å
10A98.4Very high96.5Very high0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-82.9153.9-179.500000112.6T12 G18 N19 H81 L84A10-T12 VanDerWaalsContact C-N 3.27Å; A10-T12 PolarHBondContact O-N 3.47Å; A10-G18 CarbonylContact O-C 3.54Å; A10-G18 WeakPolarHBondContact O-CA 3.28Å; A10-N19 WeakPolarHBondContact CB-O 3.21Å; A10-N19 PolarHBondContact N-O 3.35Å; A10-N19 PolarHBondContact O-N 3.33Å; A10-H81 HydrophobicContact CB-CB 3.94Å; A10-H81 WeakPolarHBondContact CB-O 3.47Å; A10-L84 HydrophobicContact CB-CB 4.26Å; A10-L84 HydrophobicContact CB-CD2 3.94Å
11F97.8Very high96.6Very high1 Ų147 Ų470%0.00423%0.233CC..THydrogen-bonded Turntrans61.532.5-177.6-56-69.4000114.1H81 L84 V229 G260 E261 L262 I274 G277F11-H81 HydrophobicContact CD2-CB 3.96Å; F11-H81 HydrophobicContact CE2-CB 3.53Å; F11-L84 HydrophobicContact CD1-CD1 3.85Å; F11-L84 HydrophobicContact CE1-CD1 3.49Å; F11-L84 VanDerWaalsContact CE1-CD1 3.49Å; F11-L84 HydrophobicContact CZ-CD1 3.95Å; F11-V229 HydrophobicContact CB-CB 4.05Å; F11-V229 HydrophobicContact CB-CG1 3.63Å; F11-V229 HydrophobicContact CB-CG2 4.09Å; F11-V229 HydrophobicContact CD1-CG1 4.48Å; F11-V229 HydrophobicContact CD2-CB 3.79Å; F11-V229 HydrophobicContact CD2-CG1 3.48Å; F11-V229 VanDerWaalsContact CD2-CG1 3.48Å; F11-V229 HydrophobicContact CE2-CG1 4.23Å; F11-V229 HydrophobicContact CG-CB 4.23Å; F11-V229 HydrophobicContact CG-CG1 3.62Å; F11-G260 VanDerWaalsContact O-CA 3.3Å; F11-G260 WeakPolarHBondContact O-CA 3.19Å; F11-E261 PolarHBondContact O-N 2.58Å; F11-L262 HydrophobicContact CD1-CD2 3.71Å; F11-L262 HydrophobicContact CD1-CG 3.8Å; F11-L262 HydrophobicContact CE1-CD2 3.73Å; F11-L262 HydrophobicContact CE1-CG 4.28Å; F11-L262 HydrophobicContact CG-CD2 4.24Å; F11-L262 HydrophobicContact CG-CG 4.3Å; F11-L262 HydrophobicContact CZ-CD2 4.22Å; F11-I274 HydrophobicContact CE1-CG2 3.75Å; F11-I274 HydrophobicContact CZ-CG2 4.32Å; F11-G277 WeakPolarHBondContact CA-O 3.23Å; F11-G277 PolarHBondContact N-O 3.28Å
12T97.2Very high97.3Very high14 Ų1442.4 Ų42.49%0.08621%0.211CC..  trans-156.2153.6173.6-168.70000111.2D9 A10 R14 R17 G277 A278 A279D9-T12 HydrophobicContact CB-CG2 3.73Å; A10-T12 VanDerWaalsContact C-N 3.27Å; A10-T12 PolarHBondContact O-N 3.47Å; T12-R14 WeakPolarHBondContact CG2-O 3.23Å; T12-R14 PolarHBondContact OG1-N 3.09Å; T12-R14 VanDerWaalsContact OG1-N 3.12Å; T12-R14 PolarHBondContact OG1-O 2.9Å; T12-R17 VanDerWaalsContact CG2-C 3.47Å; T12-R17 HydrophobicContact CG2-CB 4Å; T12-R17 WeakPolarHBondContact CG2-O 3.34Å; T12-R17 WeakPolarHBondContact OG1-CB 3.47Å; T12-G277 PolarHBondContact N-O 3.49Å; T12-G277 VanDerWaalsContact N-O 3.12Å; T12-G277 CarbonylContact O-C 3.55Å; T12-A278 CarbonylContact O-C 3.51Å; T12-A278 WeakPolarHBondContact O-CA 3.44Å; T12-A278 PolarHBondContact O-N 3.14Å; T12-A279 PolarHBondContact O-N 2.84Å
13A94.6Very high97.6Very high89 Ų8934.4 Ų34.474%0.73618%0.176SC*.SBendtrans-95.4-2.3167.100000112.6
14R96.6Very high97.8Very high192 Ų19234 Ų3473%0.72517%0.174SC*.SBendtrans-113.9135.1-173.2-61.8-178.4-176.3-178.42.3110.4T12 R17T12-R14 WeakPolarHBondContact CG2-O 3.23Å; T12-R14 PolarHBondContact OG1-N 3.09Å; T12-R14 VanDerWaalsContact OG1-N 3.12Å; T12-R14 PolarHBondContact OG1-O 2.9Å; R14-R17 HydrophobicContact CB-CB 4.33Å; R14-R17 HydrophobicContact CB-CG 4.03Å; R14-R17 WeakPolarHBondContact O-CB 3.16Å; R14-R17 PolarHBondContact O-N 3.31Å
15A97.3Very high97.9Very high47 Ų4732.2 Ų32.239%0.38816%0.162SC..THydrogen-bonded Turntrans-57145.6172.100000111.3R17 V281A15-R17 PolarHBondContact O-N 2.85Å; A15-V281 HydrophobicContact CB-CG1 3.57Å
16F96.6Very high97.8Very high151 Ų15132.2 Ų32.266%0.66216%0.162SC*.THydrogen-bonded Turntrans64.618.7178.3-38-61.1000114.5D9 R258D9-F16 WeakPolarHBondContact OD2-CA 3.29Å; D9-F16 PolarHBondContact OD2-N 2.99Å; F16-R258 VanDerWaalsContact C-CZ 3.49Å; F16-R258 PolarHBondContact O-NH1 2.75Å
17R97.9Very high97.5Very high117 Ų11736.7 Ų36.744%0.44218%0.183SC..  trans-118.4180173.2-61.9-69.2179.9-179.6-1109.3D9 T12 R14 A15 H257 R258D9-R17 VanDerWaalsContact CB-O 3.29Å; D9-R17 WeakPolarHBondContact CB-O 3.29Å; T12-R17 VanDerWaalsContact CG2-C 3.47Å; T12-R17 HydrophobicContact CG2-CB 4Å; T12-R17 WeakPolarHBondContact CG2-O 3.34Å; T12-R17 WeakPolarHBondContact OG1-CB 3.47Å; R14-R17 HydrophobicContact CB-CB 4.33Å; R14-R17 HydrophobicContact CB-CG 4.03Å; R14-R17 WeakPolarHBondContact O-CB 3.16Å; R14-R17 PolarHBondContact O-N 3.31Å; A15-R17 PolarHBondContact O-N 2.85Å; R17-H257 PolarHBondContact NH1-O 2.84Å; R17-R258 WeakPolarHBondContact CD-O 3.26Å; R17-R258 PolarHBondContact NH1-O 3.42Å; R17-R258 PolarHBondContact O-NH2 2.9Å
18G97.6Very high97.1Very high0 Ų041.8 Ų41.80%021%0.21CC..SBendtrans63.8-15617900000113.7A10 P228 R258 G259A10-G18 CarbonylContact O-C 3.54Å; A10-G18 WeakPolarHBondContact O-CA 3.28Å; G18-P228 WeakPolarHBondContact O-CB 3.45Å; G18-R258 WeakPolarHBondContact O-CB 3.46Å; G18-R258 WeakPolarHBondContact O-CD 3.49Å; G18-R258 PolarHBondContact O-NE 2.89Å; G18-G259 VanDerWaalsContact CA-O 3.28Å; G18-G259 WeakPolarHBondContact CA-O 3.43Å; G18-G259 PolarHBondContact N-O 3.15Å
19N97.8Very high96.7Very high0 Ų051.2 Ų51.20%026%0.255CS..EExtended strand (participates in β ladder)trans-109.7112.4-179.8-155.2-15.8000111.4A10 S45 H81 D227 P228 V229A10-N19 WeakPolarHBondContact CB-O 3.21Å; A10-N19 PolarHBondContact N-O 3.35Å; A10-N19 PolarHBondContact O-N 3.33Å; N19-S45 PolarHBondContact OD1-OG 3.19Å; N19-H81 HydrophobicContact CB-CB 4.01Å; N19-H81 PolarHBondContact ND2-CE1 2.82Å; N19-H81 PolarHBondContact ND2-ND1 3.42Å; N19-D227 PolarHBondContact ND2-OD1 3.33Å; N19-D227 PolarHBondContact ND2-OD2 3.43Å; N19-P228 HydrophobicContact CB-CB 4.04Å; N19-V229 HydrophobicContact CB-CB 4.08Å; N19-V229 HydrophobicContact CB-CG2 4.47Å; N19-V229 PolarHBondContact ND2-N 2.71Å; N19-V229 PolarHBondContact ND2-O 3.33Å
20P98Very high96.4Very high16 Ų1651.9 Ų51.910%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-73.9133.3-177.229.9-33.3000111.3D9 L44D9-P20 WeakPolarHBondContact OD1-CB 3.36Å; P20-L44 HydrophobicContact CB-CD1 4.45Å; P20-L44 HydrophobicContact CB-CD2 4.21Å; P20-L44 HydrophobicContact CG-CD2 4.22Å
21A98.6Very high96.2Very high0 Ų057 Ų570%029%0.286CS..EExtended strand (participates in β ladder)trans-130.1143.1168.900000111I7 A8 E46 A82 A85I7-A21 WeakPolarHBondContact CA-O 3.49Å; A8-A21 PolarHBondContact N-O 2.91Å; A8-A21 PolarHBondContact O-N 2.91Å; A21-E46 WeakPolarHBondContact CA-O 3.48Å; A21-A82 HydrophobicContact CB-CB 3.85Å; A21-A85 HydrophobicContact CB-CB 3.85Å
22A98.7Very high95.9Very high0 Ų062.7 Ų62.70%031%0.312CS..EExtended strand (participates in β ladder)trans-81.1142.4165.300000109F6 M42 L44 E46 T47 A48F6-A22 CarbonylContact O-C 3.54Å; F6-A22 WeakPolarHBondContact O-CA 3.24Å; A22-M42 HydrophobicContact CB-CB 4.16Å; A22-M42 HydrophobicContact CB-CE 4.03Å; A22-M42 HydrophobicContact CB-CG 3.92Å; A22-L44 HydrophobicContact CB-CD1 4.04Å; A22-E46 PolarHBondContact N-O 3Å; A22-E46 VanDerWaalsContact N-O 3.11Å; A22-T47 HydrophobicContact CB-CG2 3.86Å; A22-T47 CarbonylContact O-C 3.6Å; A22-T47 WeakPolarHBondContact O-CA 3.19Å; A22-A48 PolarHBondContact O-N 2.62Å
23V98.8Very high95.7Very high0 Ų065.7 Ų65.70%033%0.328CS..EExtended strand (participates in β ladder)trans-132.1125.6178.4-179.30000108.9I5 F6 A48 I50 A85 V89I5-V23 CarbonylContact C-O 3.45Å; I5-V23 WeakPolarHBondContact CA-O 3.2Å; F6-V23 HydrophobicContact CB-CB 4.42Å; F6-V23 PolarHBondContact N-O 2.93Å; F6-V23 PolarHBondContact O-N 3.07Å; V23-A48 CarbonylContact C-O 3.6Å; V23-A48 WeakPolarHBondContact CA-O 3.37Å; V23-A48 HydrophobicContact CG2-CB 4.32Å; V23-I50 HydrophobicContact CG1-CD1 3.52Å; V23-I50 HydrophobicContact CG1-CG1 4.16Å; V23-A85 HydrophobicContact CG2-CB 3.87Å; V23-V89 HydrophobicContact CB-CG2 3.97Å; V23-V89 HydrophobicContact CG1-CB 4.14Å; V23-V89 HydrophobicContact CG1-CG1 4.29Å; V23-V89 HydrophobicContact CG1-CG2 4.03Å; V23-V89 HydrophobicContact CG2-CG2 4.13Å
24C98.6Very high95.7Very high0 Ų063.2 Ų63.20%030%0.301CS..EExtended strand (participates in β ladder)trans-115.4133.2-178.9-70.30000110.5L3 P4 A48 F49 I50L3-C24 HydrophobicContact CD1-CB 4.33Å; L3-C24 HydrophobicContact CD2-CB 3.69Å; L3-C24 HydrophobicContact CG-CB 4.1Å; P4-C24 WeakPolarHBondContact O-CA 3.39Å; C24-A48 PolarHBondContact N-O 2.78Å; C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.92Å; C24-F49 HydrophobicContact CB-CG 4.35Å; C24-I50 PolarHBondContact O-N 3.44Å
25L98.2Very high95.7Very high3 Ų354.3 Ų54.32%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-100.7105.4176.2-59.9-177.1000110.9L3 P4 F6 E27 I50 F59 V89 L90 I94L3-L25 WeakPolarHBondContact CD1-O 3.49Å; P4-L25 HydrophobicContact CB-CB 4.22Å; P4-L25 HydrophobicContact CG-CB 4.46Å; P4-L25 PolarHBondContact O-N 3.05Å; P4-L25 VanDerWaalsContact O-N 3.07Å; F6-L25 HydrophobicContact CE2-CD1 3.74Å; F6-L25 HydrophobicContact CE2-CG 3.96Å; F6-L25 HydrophobicContact CZ-CD1 4.24Å; L25-E27 PolarHBondContact O-N 2.98Å; L25-I50 HydrophobicContact CD2-CB 3.97Å; L25-I50 HydrophobicContact CD2-CD1 3.58Å; L25-I50 HydrophobicContact CD2-CG1 4.29Å; L25-I50 HydrophobicContact CD2-CG2 4.5Å; L25-F59 HydrophobicContact CB-CD2 4.29Å; L25-F59 HydrophobicContact CB-CE1 4.47Å; L25-F59 HydrophobicContact CB-CE2 3.8Å; L25-F59 HydrophobicContact CB-CZ 3.9Å; L25-F59 HydrophobicContact CD1-CD2 4.36Å; L25-F59 HydrophobicContact CD1-CG 4.49Å; L25-F59 HydrophobicContact CD2-CD1 4.19Å; L25-F59 HydrophobicContact CD2-CE1 4.14Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L25-V89 HydrophobicContact CD1-CG1 4.43Å; L25-V89 HydrophobicContact CD2-CG1 4.42Å; L25-L90 HydrophobicContact CD2-CD2 4.2Å; L25-I94 HydrophobicContact CD1-CD1 3.51Å; L25-I94 HydrophobicContact CD1-CG1 3.69Å
26L96.9Very high95.7Very high9 Ų953.3 Ų53.35%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-81.8100.9-178.1-57.2-168.7000110.9L3 N28 L30 F49 I50 R51 F59L3-L26 HydrophobicContact CD1-CD2 3.49Å; L3-L26 VanDerWaalsContact CD1-CD2 3.49Å; L3-L26 HydrophobicContact CD2-CD2 4.1Å; L3-L26 HydrophobicContact CG-CD2 4.46Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-L30 HydrophobicContact CD1-CB 3.95Å; L26-L30 HydrophobicContact CD1-CD2 4.5Å; L26-L30 HydrophobicContact CD2-CB 4.11Å; L26-L30 HydrophobicContact CD2-CD2 3.95Å; L26-F49 HydrophobicContact CD1-CB 4.03Å; L26-F49 HydrophobicContact CD2-CD1 4.01Å; L26-F49 HydrophobicContact CG-CB 4.29Å; L26-F49 HydrophobicContact CG-CD1 4.5Å; L26-I50 WeakPolarHBondContact CB-O 3.48Å; L26-I50 PolarHBondContact N-O 2.89Å; L26-R51 HydrophobicContact CB-CB 4.07Å; L26-R51 HydrophobicContact CD1-CB 4.21Å; L26-F59 WeakPolarHBondContact O-CZ 3.45Å
27E92Very high95.7Very high98 Ų9851.2 Ų51.246%0.45825%0.245SC..SBendtrans-68.8-33.7171.4-71.7-65.5162.100112.3L25 K52 F59L25-E27 PolarHBondContact O-N 2.98Å; E27-K52 VanDerWaalsContact OE2-CE 3.26Å; E27-K52 WeakPolarHBondContact OE2-CE 3.21Å; E27-K52 IonicContact OE2-NZ 2.62Å; E27-K52 PolarHBondContact OE2-NZ 2.86Å; E27-F59 WeakPolarHBondContact OE1-CE2 3.31Å
28N90.1Very high95.7Very high137 Ų13746 Ų4673%0.73323%0.226SC*.SBendtrans-130.3168.7177-59.6-64.5000109.6L26L26-N28 VanDerWaalsContact C-N 3.33Å
29E89.6Confident95.7Very high199 Ų19946 Ų4693%0.9323%0.226SC*.  trans-56.1143.5171-67.8-174.5164.900111
30L93.6Very high95.6Very high16 Ų1652.8 Ų52.88%0.08425%0.252CS..  trans-115133.5-180178.766.7000107.6M1 L26 E32 M34 H35 I38 F49M1-L30 HydrophobicContact CE-CD1 3.12Å; M1-L30 HydrophobicContact SD-CD1 3.36Å; M1-L30 WeakPolarHBondContact SD-CD1 3.37Å; L26-L30 HydrophobicContact CD1-CB 3.95Å; L26-L30 HydrophobicContact CD1-CD2 4.5Å; L26-L30 HydrophobicContact CD2-CB 4.11Å; L26-L30 HydrophobicContact CD2-CD2 3.95Å; L30-E32 PolarHBondContact O-N 2.81Å; L30-M34 HydrophobicContact CD1-CB 3.63Å; L30-M34 HydrophobicContact CD1-CG 4.27Å; L30-M34 HydrophobicContact CD2-CB 4.22Å; L30-M34 HydrophobicContact CG-CB 3.82Å; L30-H35 PolarHBondContact O-CE1 2.93Å; L30-H35 VanDerWaalsContact O-CE1 3.31Å; L30-I38 HydrophobicContact CD2-CD1 4.09Å; L30-F49 HydrophobicContact CD2-CD1 3.95Å; L30-F49 HydrophobicContact CD2-CE1 3.82Å
31D92.8Very high95.6Very high109 Ų10959.5 Ų59.558%0.58328%0.282SS*.  trans-54.1141177-61.6-31000110.8D33 M34 H35D31-D33 VanDerWaalsContact C-N 3.27Å; D31-D33 PolarHBondContact O-N 3.49Å; D31-M34 HydrophobicContact CB-CB 4.39Å; D31-M34 HydrophobicContact CB-CG 3.9Å; D31-M34 WeakPolarHBondContact O-CB 3.42Å; D31-M34 PolarHBondContact O-N 2.96Å; D31-H35 PolarHBondContact O-ND1 3.26Å; D31-H35 VanDerWaalsContact O-ND1 3.11Å
32E91.4Very high95.4Very high120 Ų12061.6 Ų61.656%0.56129%0.292SS*.Hα-helixtrans-59.6-36.7-172.4-75.5-60.6130.100112.7L30 M34 R68L30-E32 PolarHBondContact O-N 2.81Å; E32-M34 VanDerWaalsContact C-N 3.33Å; E32-M34 PolarHBondContact O-N 2.82Å; E32-R68 VanDerWaalsContact CD-NH1 3.29Å; E32-R68 IonicContact OE1-CZ 3.45Å; E32-R68 IonicContact OE1-NH1 3.7Å; E32-R68 PolarHBondContact OE1-NH1 3.3Å; E32-R68 IonicContact OE1-NH2 2.71Å; E32-R68 IonicContact OE2-CZ 3.84Å; E32-R68 VanDerWaalsContact OE2-CZ 3.32Å; E32-R68 IonicContact OE2-NH1 3.95Å; E32-R68 PolarHBondContact OE2-NH1 2.97Å; E32-R68 IonicContact OE2-NH2 3.98Å; E32-R68 PolarHBondContact OE2-NH2 2.79Å
33D93.1Very high95.3Very high77 Ų7767.4 Ų67.441%0.41232%0.323SS..Hα-helixtrans-73.2-24.6178.275.6-49.1000113.2D31 Q36 K37D31-D33 VanDerWaalsContact C-N 3.27Å; D31-D33 PolarHBondContact O-N 3.49Å; D33-Q36 PolarHBondContact O-N 3.37Å; D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 2.83Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 2.95Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å
34M95.8Very high95Very high36 Ų3669.2 Ų69.218%0.17733%0.333CS..Hα-helixtrans-68.3-34.8179.7-71.3-65.312600112.4M1 L30 D31 E32 Q36 K37 I38M1-M34 HydrophobicContact CE-CB 4.43Å; M1-M34 HydrophobicContact CE-CG 4.02Å; L30-M34 HydrophobicContact CD1-CB 3.63Å; L30-M34 HydrophobicContact CD1-CG 4.27Å; L30-M34 HydrophobicContact CD2-CB 4.22Å; L30-M34 HydrophobicContact CG-CB 3.82Å; D31-M34 HydrophobicContact CB-CB 4.39Å; D31-M34 HydrophobicContact CB-CG 3.9Å; D31-M34 WeakPolarHBondContact O-CB 3.42Å; D31-M34 PolarHBondContact O-N 2.96Å; E32-M34 VanDerWaalsContact C-N 3.33Å; E32-M34 PolarHBondContact O-N 2.82Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.09Å; M34-K37 HydrophobicContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-NZ 3.28Å; M34-K37 PolarHBondContact O-N 3.32Å; M34-K37 HydrophobicContact SD-CD 4.15Å; M34-I38 WeakPolarHBondContact O-CB 3.05Å; M34-I38 VanDerWaalsContact O-CG1 3.27Å; M34-I38 WeakPolarHBondContact O-CG1 3.38Å; M34-I38 PolarHBondContact O-N 2.88Å
35H97Very high94.6Very high5 Ų570.8 Ų70.82%0.02334%0.344CS..Hα-helixtrans-54.9-49.7175.1-67.981.1000110.8L30 D31 A39 F49 F70L30-H35 PolarHBondContact O-CE1 2.93Å; L30-H35 VanDerWaalsContact O-CE1 3.31Å; D31-H35 PolarHBondContact O-ND1 3.26Å; D31-H35 VanDerWaalsContact O-ND1 3.11Å; H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.85Å; H35-F49 HydrophobicContact CB-CD2 4.5Å; H35-F49 HydrophobicContact CB-CE2 4.06Å; H35-F49 HydrophobicContact CB-CZ 4.19Å; H35-F49 AromaticContact CD2-CD1 3.89Å; H35-F49 AromaticContact CD2-CD2 3.64Å; H35-F49 AromaticContact CD2-CG 3.55Å; H35-F49 WeakPolarHBondContact O-CZ 3.45Å; H35-F70 HydrophobicContact CB-CD1 4.27Å; H35-F70 HydrophobicContact CB-CD2 4.08Å; H35-F70 HydrophobicContact CB-CE1 3.85Å; H35-F70 HydrophobicContact CB-CE2 3.66Å; H35-F70 HydrophobicContact CB-CG 4.37Å; H35-F70 HydrophobicContact CB-CZ 3.52Å; H35-F70 AromaticContact CD2-CE2 3.78Å; H35-F70 AromaticContact CG-CE2 4Å
36Q96.6Very high94.5Very high26 Ų2672 Ų7212%0.12135%0.35CS..Hα-helixtrans-70.2-37.4-178.4-17060.874.300112.5D33 M34 A39 R40 F70 T71 P72 A73D33-Q36 PolarHBondContact O-N 3.37Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.09Å; Q36-A39 PolarHBondContact O-N 2.63Å; Q36-R40 WeakPolarHBondContact O-CG 3.34Å; Q36-R40 PolarHBondContact O-N 3.07Å; Q36-F70 HydrophobicContact CB-CD1 4.47Å; Q36-T71 PolarHBondContact NE2-O 2.91Å; Q36-P72 VanDerWaalsContact NE2-C 3.26Å; Q36-P72 PolarHBondContact NE2-O 3.03Å; Q36-A73 PolarHBondContact OE1-O 2.85Å
37K97.3Very high94.5Very high107 Ų10771.6 Ų71.647%0.46535%0.347SS..Hα-helixtrans-63.1-46.6175.7-75.7171.2177.3170.10111.6D33 M34 R40 E41D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 2.83Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 2.95Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å; M34-K37 HydrophobicContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-NZ 3.28Å; M34-K37 PolarHBondContact O-N 3.32Å; M34-K37 HydrophobicContact SD-CD 4.15Å; K37-R40 PolarHBondContact O-N 2.96Å; K37-E41 PolarHBondContact O-N 2.86Å
38I97.6Very high94.8Very high7 Ų767 Ų674%0.03633%0.326CS..Hα-helixtrans-62.4-44.8176.6-67.7167.1000110.2L3 L30 M34 R40 E41 M42 T47 F49 L286L3-I38 HydrophobicContact CD2-CD1 3.99Å; L30-I38 HydrophobicContact CD2-CD1 4.09Å; M34-I38 WeakPolarHBondContact O-CB 3.05Å; M34-I38 VanDerWaalsContact O-CG1 3.27Å; M34-I38 WeakPolarHBondContact O-CG1 3.38Å; M34-I38 PolarHBondContact O-N 2.88Å; I38-R40 VanDerWaalsContact C-N 3.29Å; I38-R40 PolarHBondContact O-N 2.81Å; I38-E41 PolarHBondContact O-N 2.79Å; I38-E41 VanDerWaalsContact O-N 3.15Å; I38-M42 HydrophobicContact CG2-CG 4.25Å; I38-M42 WeakPolarHBondContact O-CG 3.48Å; I38-M42 PolarHBondContact O-N 3.45Å; I38-T47 HydrophobicContact CG2-CG2 4.3Å; I38-F49 HydrophobicContact CB-CE1 4.32Å; I38-F49 HydrophobicContact CB-CZ 4.01Å; I38-F49 HydrophobicContact CD1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.13Å; I38-F49 HydrophobicContact CG2-CZ 3.95Å; I38-L286 HydrophobicContact CB-CD1 4.43Å; I38-L286 HydrophobicContact CD1-CD1 4.42Å; I38-L286 HydrophobicContact CD1-CD2 4.08Å; I38-L286 HydrophobicContact CG1-CD1 4.04Å; I38-L286 HydrophobicContact CG1-CD2 4.2Å; I38-L286 HydrophobicContact CG2-CD1 3.68Å
39A96.9Very high95.2Very high0 Ų060.5 Ų60.50%029%0.291CS..Hα-helixtrans-61.4-37.3178.700000112.9H35 Q36 N43 T47 F70H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.85Å; Q36-A39 PolarHBondContact O-N 2.63Å; A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.11Å; A39-T47 WeakPolarHBondContact CA-OG1 3.29Å; A39-F70 HydrophobicContact CB-CB 3.51Å
40R96.3Very high95.7Very high144 Ų14451 Ų5154%0.54325%0.247SC..Hα-helixtrans-64.8-43.8172.5-76.6174.5-168.5156.55112.6Q36 K37 I38 N43 P72Q36-R40 WeakPolarHBondContact O-CG 3.34Å; Q36-R40 PolarHBondContact O-N 3.07Å; K37-R40 PolarHBondContact O-N 2.96Å; I38-R40 VanDerWaalsContact C-N 3.29Å; I38-R40 PolarHBondContact O-N 2.81Å; R40-N43 PolarHBondContact O-N 2.86Å; R40-P72 HydrophobicContact CG-CB 4.33Å; R40-P72 WeakPolarHBondContact CG-O 3.37Å; R40-P72 PolarHBondContact NE-O 3.31Å; R40-P72 VanDerWaalsContact NE-O 3.11Å
41E97.4Very high95.9Very high157 Ų15755.2 Ų55.273%0.73426%0.261SS*.Hα-helixtrans-63.6-43178.9-172.163.8-159.100111.5K37 I38 N43K37-E41 PolarHBondContact O-N 2.86Å; I38-E41 PolarHBondContact O-N 2.79Å; I38-E41 VanDerWaalsContact O-N 3.15Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.9Å
42M95.5Very high96.1Very high44 Ų4452 Ų5222%0.21724%0.242CC..Hα-helixtrans-67.6-32.6178.7-67.4-49.3-56.900112.7I5 I7 A22 I38 L44I5-M42 HydrophobicContact CD1-CE 4.06Å; I5-M42 HydrophobicContact CD1-CG 4.09Å; I5-M42 HydrophobicContact CD1-SD 3.49Å; I5-M42 WeakPolarHBondContact CD1-SD 3.43Å; I7-M42 HydrophobicContact CD1-CE 3.83Å; I7-M42 HydrophobicContact CG1-CE 4.04Å; A22-M42 HydrophobicContact CB-CB 4.16Å; A22-M42 HydrophobicContact CB-CE 4.03Å; A22-M42 HydrophobicContact CB-CG 3.92Å; I38-M42 HydrophobicContact CG2-CG 4.25Å; I38-M42 WeakPolarHBondContact O-CG 3.48Å; I38-M42 PolarHBondContact O-N 3.45Å; M42-L44 PolarHBondContact O-N 3.42Å; M42-L44 VanDerWaalsContact O-N 3.08Å
43N94.7Very high96.3Very high121 Ų12148.7 Ų48.765%0.64723%0.228SC*.  trans49.338175.6-163.441000114.2A39 R40 E41A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.11Å; R40-N43 PolarHBondContact O-N 2.86Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.9Å
44L93.9Very high96.4Very high39 Ų3950.6 Ų50.620%0.20423%0.234CC..SBendtrans-99.5172.8170.1-64.4179.8000109.9I7 P20 A22 M42 E46 P72I7-L44 HydrophobicContact CD1-CD1 4.48Å; I7-L44 HydrophobicContact CG1-CD1 4.4Å; I7-L44 HydrophobicContact CG2-CD1 4.02Å; P20-L44 HydrophobicContact CB-CD1 4.45Å; P20-L44 HydrophobicContact CB-CD2 4.21Å; P20-L44 HydrophobicContact CG-CD2 4.22Å; A22-L44 HydrophobicContact CB-CD1 4.04Å; M42-L44 PolarHBondContact O-N 3.42Å; M42-L44 VanDerWaalsContact O-N 3.08Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.86Å; L44-P72 WeakPolarHBondContact O-CD 3.44Å
45S89.6Confident96.3Very high33 Ų3355.1 Ų55.123%0.23127%0.266CS..SBendtrans-50.4-52.9175.5-49.80000110.3N19 T71N19-S45 PolarHBondContact OD1-OG 3.19Å; S45-T71 WeakPolarHBondContact O-CA 3.47Å
46E95.4Very high96.1Very high29 Ų2960.9 Ų60.914%0.13630%0.302CS..EExtended strand (participates in β ladder)trans-142.5145176-77.890152.600112.6A21 A22 L44 W69 F70 T71 V76 C79 H81 A82A21-E46 WeakPolarHBondContact CA-O 3.48Å; A22-E46 PolarHBondContact N-O 3Å; A22-E46 VanDerWaalsContact N-O 3.11Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.86Å; E46-W69 HydrophobicContact CG-CB 4.37Å; E46-F70 CarbonylContact C-O 3.58Å; E46-F70 WeakPolarHBondContact CA-O 3.44Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; E46-V76 HydrophobicContact CG-CG2 4.24Å; E46-C79 HydrophobicContact CG-CB 4.17Å; E46-C79 PolarHBondContact OE1-SG 2.95Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.39Å; E46-H81 IonicContact OE2-ND1 3.11Å; E46-H81 IonicContact OE2-NE2 3.47Å; E46-H81 PolarHBondContact OE2-NE2 2.98Å; E46-A82 HydrophobicContact CB-CB 3.9Å
47T98.4Very high96.2Very high0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-107122.7163.6-57.40000109A22 I38 A39 F49 W69 F70A22-T47 HydrophobicContact CB-CG2 3.86Å; A22-T47 CarbonylContact O-C 3.6Å; A22-T47 WeakPolarHBondContact O-CA 3.19Å; I38-T47 HydrophobicContact CG2-CG2 4.3Å; A39-T47 WeakPolarHBondContact CA-OG1 3.29Å; T47-F49 HydrophobicContact CG2-CD2 4.32Å; T47-F49 HydrophobicContact CG2-CE1 4.24Å; T47-F49 HydrophobicContact CG2-CE2 3.61Å; T47-F49 HydrophobicContact CG2-CZ 3.56Å; T47-W69 WeakPolarHBondContact O-CA 3.47Å; T47-F70 PolarHBondContact N-O 2.88Å; T47-F70 PolarHBondContact O-N 2.95Å
48A98.7Very high96.1Very high0 Ų058.2 Ų58.20%029%0.294CS..EExtended strand (participates in β ladder)trans-97.6133.1179.400000110.7A22 V23 C24 L67 R68 A82 S86A22-A48 PolarHBondContact O-N 2.62Å; V23-A48 CarbonylContact C-O 3.6Å; V23-A48 WeakPolarHBondContact CA-O 3.37Å; V23-A48 HydrophobicContact CG2-CB 4.32Å; C24-A48 PolarHBondContact N-O 2.78Å; A48-L67 HydrophobicContact CB-CD1 4.03Å; A48-R68 WeakPolarHBondContact CA-O 3.36Å; A48-A82 HydrophobicContact CB-CB 4.23Å; A48-S86 VanDerWaalsContact CB-OG 3.27Å; A48-S86 WeakPolarHBondContact CB-OG 3.39Å
49F98.6Very high96.1Very high2 Ų258.3 Ų58.31%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-115.2109.4176-61.8-91.5000109.1C24 L26 L30 H35 I38 T47 L67 R68 F70C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.92Å; C24-F49 HydrophobicContact CB-CG 4.35Å; L26-F49 HydrophobicContact CD1-CB 4.03Å; L26-F49 HydrophobicContact CD2-CD1 4.01Å; L26-F49 HydrophobicContact CG-CB 4.29Å; L26-F49 HydrophobicContact CG-CD1 4.5Å; L30-F49 HydrophobicContact CD2-CD1 3.95Å; L30-F49 HydrophobicContact CD2-CE1 3.82Å; H35-F49 HydrophobicContact CB-CD2 4.5Å; H35-F49 HydrophobicContact CB-CE2 4.06Å; H35-F49 HydrophobicContact CB-CZ 4.19Å; H35-F49 AromaticContact CD2-CD1 3.89Å; H35-F49 AromaticContact CD2-CD2 3.64Å; H35-F49 AromaticContact CD2-CG 3.55Å; H35-F49 WeakPolarHBondContact O-CZ 3.45Å; I38-F49 HydrophobicContact CB-CE1 4.32Å; I38-F49 HydrophobicContact CB-CZ 4.01Å; I38-F49 HydrophobicContact CD1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.13Å; I38-F49 HydrophobicContact CG2-CZ 3.95Å; T47-F49 HydrophobicContact CG2-CD2 4.32Å; T47-F49 HydrophobicContact CG2-CE1 4.24Å; T47-F49 HydrophobicContact CG2-CE2 3.61Å; T47-F49 HydrophobicContact CG2-CZ 3.56Å; F49-L67 WeakPolarHBondContact O-CA 3.45Å; F49-R68 PolarHBondContact N-O 3.36Å; F49-R68 PolarHBondContact O-N 3.17Å; F49-F70 AromaticContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CE2 4.18Å; F49-F70 HydrophobicContact CE2-CB 4.31Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.38Å; F49-F70 HydrophobicContact CE2-CG 4.24Å
50I98.7Very high96.2Very high0 Ų059.9 Ų59.90%031%0.307CS..EExtended strand (participates in β ladder)trans-92.3121.6177.1-52.6166.2000107.4V23 C24 L25 L26 F59 F65 G66 L67 L90 F103V23-I50 HydrophobicContact CG1-CD1 3.52Å; V23-I50 HydrophobicContact CG1-CG1 4.16Å; C24-I50 PolarHBondContact O-N 3.44Å; L25-I50 HydrophobicContact CD2-CB 3.97Å; L25-I50 HydrophobicContact CD2-CD1 3.58Å; L25-I50 HydrophobicContact CD2-CG1 4.29Å; L25-I50 HydrophobicContact CD2-CG2 4.5Å; L26-I50 WeakPolarHBondContact CB-O 3.48Å; L26-I50 PolarHBondContact N-O 2.89Å; I50-F59 HydrophobicContact CB-CE1 4.38Å; I50-F59 HydrophobicContact CG2-CD1 4.3Å; I50-F59 HydrophobicContact CG2-CE1 3.83Å; I50-F65 HydrophobicContact CG2-CB 3.75Å; I50-F65 HydrophobicContact CG2-CD1 4.25Å; I50-F65 HydrophobicContact CG2-CG 3.94Å; I50-G66 WeakPolarHBondContact CA-O 3.31Å; I50-L67 HydrophobicContact CG1-CD1 3.88Å; I50-L90 HydrophobicContact CD1-CD1 4.05Å; I50-L90 HydrophobicContact CD1-CD2 4.44Å; I50-L90 HydrophobicContact CD1-CG 4.03Å; I50-L90 HydrophobicContact CG2-CD1 4.28Å; I50-F103 HydrophobicContact CG2-CE1 4.44Å
51R97.3Very high96.3Very high103 Ų10359 Ų5939%0.38931%0.309SS..EExtended strand (participates in β ladder)trans-117.6151.117665.6178.1-178.783.1-0.5111.9L26 F65 G66L26-R51 HydrophobicContact CB-CB 4.07Å; L26-R51 HydrophobicContact CD1-CB 4.21Å; R51-F65 WeakPolarHBondContact O-CA 3.42Å; R51-F65 WeakPolarHBondContact O-CB 3.42Å; R51-G66 PolarHBondContact N-O 2.99Å; R51-G66 PolarHBondContact O-N 2.77Å
52K97.6Very high96.3Very high41 Ų4152.4 Ų52.418%0.17828%0.28CS..  trans-63.2150.2165.4-67.2173.2-175.2-176.30110.5E27 D57 F59E27-K52 VanDerWaalsContact OE2-CE 3.26Å; E27-K52 WeakPolarHBondContact OE2-CE 3.21Å; E27-K52 IonicContact OE2-NZ 2.62Å; E27-K52 PolarHBondContact OE2-NZ 2.86Å; K52-D57 HydrophobicContact CB-CB 3.92Å; K52-D57 HydrophobicContact CD-CB 4.3Å; K52-D57 WeakPolarHBondContact CD-O 3.39Å; K52-D57 WeakPolarHBondContact CE-O 3.42Å; K52-D57 HydrophobicContact CG-CB 3.92Å; K52-D57 PolarHBondContact NZ-O 2.68Å; K52-F59 HydrophobicContact CG-CE1 4.35Å; K52-F59 HydrophobicContact CG-CZ 4.17Å
53L96.4Very high96.5Very high52 Ų5252.7 Ų52.727%0.27229%0.287SS..SBendtrans-93.5-30.5174.1-66179.9000111.2D57 C64 V104L53-D57 PolarHBondContact N-OD2 2.84Å; L53-C64 HydrophobicContact CD1-CB 3.95Å; L53-C64 WeakPolarHBondContact CD1-SG 3.27Å; L53-V104 HydrophobicContact CD1-CG2 4.01Å
54H95Very high96.6Very high117 Ų11748.8 Ų48.854%0.54227%0.268SS..SBendtrans-126.4147.8175.1-56.8-65.8000110.8T56 D57H54-T56 PolarHBondContact O-N 3.26Å; H54-D57 IonicContact CD2-OD2 3.58Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 VanDerWaalsContact O-CB 3.28Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 2.8Å
55P93.1Very high96.9Very high130 Ų13047 Ų4784%0.84426%0.259SS*.THydrogen-bonded Turntrans-56.9-26.9178.7-27.335.4000114.4
56T94.3Very high97.3Very high127 Ų12745.4 Ų45.478%0.77925%0.248SC*.THydrogen-bonded Turntrans-84.5-7.6178.453.40000113.8H54H54-T56 PolarHBondContact O-N 3.26Å
57D96.8Very high97.4Very high27 Ų2744.1 Ų44.114%0.14424%0.242CC..  trans-65.6153.8176.2-74.8-33.8000111.2K52 L53 H54 S62K52-D57 HydrophobicContact CB-CB 3.92Å; K52-D57 HydrophobicContact CD-CB 4.3Å; K52-D57 WeakPolarHBondContact CD-O 3.39Å; K52-D57 WeakPolarHBondContact CE-O 3.42Å; K52-D57 HydrophobicContact CG-CB 3.92Å; K52-D57 PolarHBondContact NZ-O 2.68Å; L53-D57 PolarHBondContact N-OD2 2.84Å; H54-D57 IonicContact CD2-OD2 3.58Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 VanDerWaalsContact O-CB 3.28Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 2.8Å; D57-S62 WeakPolarHBondContact CA-OG 3.48Å; D57-S62 VanDerWaalsContact CB-OG 3.29Å; D57-S62 WeakPolarHBondContact CB-OG 3.27Å; D57-S62 PolarHBondContact OD1-OG 2.72Å
58N96.6Very high97.4Very high49 Ų4946.1 Ų46.126%0.26225%0.249SC..  trans-138.9150.8169.371.177000111.1A60 Q61 S62N58-A60 PolarHBondContact O-N 3.31Å; N58-A60 VanDerWaalsContact O-N 3.15Å; N58-A60 PolarHBondContact OD1-N 2.83Å; N58-A60 VanDerWaalsContact OD1-N 3.12Å; N58-Q61 PolarHBondContact ND2-OE1 2.94Å; N58-Q61 PolarHBondContact O-N 3.44Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.38Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; N58-S62 PolarHBondContact N-OG 2.92Å; N58-S62 VanDerWaalsContact O-CB 3.29Å; N58-S62 WeakPolarHBondContact O-CB 3.38Å; N58-S62 PolarHBondContact O-N 3.26Å; N58-S62 PolarHBondContact O-OG 2.8Å
59F98.1Very high97.4Very high10 Ų1046.2 Ų46.24%0.04425%0.25CC..THydrogen-bonded Turntrans-68.2-13.1-174.3-64.9-65.4000114.3L25 L26 E27 I50 K52 F65 L90 I94 N96L25-F59 HydrophobicContact CB-CD2 4.29Å; L25-F59 HydrophobicContact CB-CE1 4.47Å; L25-F59 HydrophobicContact CB-CE2 3.8Å; L25-F59 HydrophobicContact CB-CZ 3.9Å; L25-F59 HydrophobicContact CD1-CD2 4.36Å; L25-F59 HydrophobicContact CD1-CG 4.49Å; L25-F59 HydrophobicContact CD2-CD1 4.19Å; L25-F59 HydrophobicContact CD2-CE1 4.14Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L26-F59 WeakPolarHBondContact O-CZ 3.45Å; E27-F59 WeakPolarHBondContact OE1-CE2 3.31Å; I50-F59 HydrophobicContact CB-CE1 4.38Å; I50-F59 HydrophobicContact CG2-CD1 4.3Å; I50-F59 HydrophobicContact CG2-CE1 3.83Å; K52-F59 HydrophobicContact CG-CE1 4.35Å; K52-F59 HydrophobicContact CG-CZ 4.17Å; F59-F65 HydrophobicContact CD1-CD1 4.04Å; F59-F65 AromaticContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CZ 4.23Å; F59-F65 HydrophobicContact CE1-CD1 4.16Å; F59-F65 HydrophobicContact CE1-CE1 4.19Å; F59-L90 HydrophobicContact CB-CD2 3.93Å; F59-L90 HydrophobicContact CD1-CD2 3.9Å; F59-L90 HydrophobicContact CG-CD2 4.3Å; F59-I94 HydrophobicContact CB-CG2 3.74Å; F59-I94 WeakPolarHBondContact O-CG2 3.43Å; F59-N96 PolarHBondContact O-ND2 2.66Å
60A98Very high97.3Very high33 Ų3346.6 Ų46.627%0.27325%0.251SS..THydrogen-bonded Turntrans-93.4-30.2-179.800000113.5N58 I94 N96 M97N58-A60 PolarHBondContact O-N 3.31Å; N58-A60 VanDerWaalsContact O-N 3.15Å; N58-A60 PolarHBondContact OD1-N 2.83Å; N58-A60 VanDerWaalsContact OD1-N 3.12Å; A60-I94 HydrophobicContact CB-CG2 4.21Å; A60-N96 CarbonylContact O-C 3.59Å; A60-N96 VanDerWaalsContact O-CA 3.24Å; A60-N96 WeakPolarHBondContact O-CA 3.37Å; A60-M97 PolarHBondContact O-N 3.04Å
61Q98.1Very high97Very high125 Ų12548 Ų4858%0.58426%0.26SS*.THydrogen-bonded Turntrans-114.9-32.8-172.6-61.8177.9-37.300113.3N58 N98N58-Q61 PolarHBondContact ND2-OE1 2.94Å; N58-Q61 PolarHBondContact O-N 3.44Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.38Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; Q61-N98 PolarHBondContact O-ND2 2.99Å
62S98.3Very high96.7Very high18 Ų1844.8 Ų44.813%0.12625%0.253CS..  trans-68.8143.8177.8-59.70000110.2D57 N58 F65 N96 N98D57-S62 WeakPolarHBondContact CA-OG 3.48Å; D57-S62 VanDerWaalsContact CB-OG 3.29Å; D57-S62 WeakPolarHBondContact CB-OG 3.27Å; D57-S62 PolarHBondContact OD1-OG 2.72Å; N58-S62 PolarHBondContact N-OG 2.92Å; N58-S62 VanDerWaalsContact O-CB 3.29Å; N58-S62 WeakPolarHBondContact O-CB 3.38Å; N58-S62 PolarHBondContact O-N 3.26Å; N58-S62 PolarHBondContact O-OG 2.8Å; S62-F65 VanDerWaalsContact O-CE2 3.23Å; S62-F65 WeakPolarHBondContact O-CE2 3.36Å; S62-F65 WeakPolarHBondContact O-CZ 3.41Å; S62-N96 PolarHBondContact O-ND2 2.72Å; S62-N98 PolarHBondContact O-ND2 2.9Å
63S98.1Very high96.4Very high51 Ų5146.5 Ų46.536%0.35727%0.274SS..  trans-105.2-6.6178.765.70000113.2L101 T102S63-L101 CarbonylContact O-C 3.56Å; S63-L101 WeakPolarHBondContact O-CA 3.33Å; S63-T102 PolarHBondContact O-N 3.35Å
64C98.6Very high96.2Very high39 Ų3946.8 Ų46.826%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-126.9130.4-176.3-159.80000110.3L53 T102L53-C64 HydrophobicContact CD1-CB 3.95Å; L53-C64 WeakPolarHBondContact CD1-SG 3.27Å; C64-T102 VanDerWaalsContact CA-O 3.29Å; C64-T102 WeakPolarHBondContact CA-O 3.43Å
65F98.7Very high96.1Very high0 Ų043.8 Ų43.80%027%0.267CS..EExtended strand (participates in β ladder)trans-139.3154.3-175.9-61.3-73.7000110.9I50 R51 F59 S62 L90 L101 T102 F103 V104I50-F65 HydrophobicContact CG2-CB 3.75Å; I50-F65 HydrophobicContact CG2-CD1 4.25Å; I50-F65 HydrophobicContact CG2-CG 3.94Å; R51-F65 WeakPolarHBondContact O-CA 3.42Å; R51-F65 WeakPolarHBondContact O-CB 3.42Å; F59-F65 HydrophobicContact CD1-CD1 4.04Å; F59-F65 AromaticContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CZ 4.23Å; F59-F65 HydrophobicContact CE1-CD1 4.16Å; F59-F65 HydrophobicContact CE1-CE1 4.19Å; S62-F65 VanDerWaalsContact O-CE2 3.23Å; S62-F65 WeakPolarHBondContact O-CE2 3.36Å; S62-F65 WeakPolarHBondContact O-CZ 3.41Å; F65-L90 HydrophobicContact CD2-CD1 3.84Å; F65-L90 HydrophobicContact CE2-CD1 3.88Å; F65-L101 HydrophobicContact CD2-CD2 4.41Å; F65-L101 HydrophobicContact CE2-CD2 3.91Å; F65-T102 PolarHBondContact N-O 3.48Å; F65-F103 HydrophobicContact CB-CD1 4.1Å; F65-F103 HydrophobicContact CB-CE1 4.33Å; F65-F103 HydrophobicContact CD2-CE1 4.41Å; F65-F103 CarbonylContact O-C 3.56Å; F65-F103 VanDerWaalsContact O-CA 3.31Å; F65-F103 WeakPolarHBondContact O-CA 3.44Å; F65-V104 PolarHBondContact O-N 3.07Å
66G98.2Very high96Very high0 Ų039 Ų390%024%0.235CC..EExtended strand (participates in β ladder)trans-78.1142.2163.100000109.8I50 R51 V104I50-G66 WeakPolarHBondContact CA-O 3.31Å; R51-G66 PolarHBondContact N-O 2.99Å; R51-G66 PolarHBondContact O-N 2.77Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å
67L98.6Very high95.8Very high2 Ų236.7 Ų36.71%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-138.5131.6176.7-176.958000110.8A48 F49 I50 W69 T83 F103 V104 T105A48-L67 HydrophobicContact CB-CD1 4.03Å; F49-L67 WeakPolarHBondContact O-CA 3.45Å; I50-L67 HydrophobicContact CG1-CD1 3.88Å; L67-W69 HydrophobicContact CB-CZ2 4.49Å; L67-W69 HydrophobicContact CD2-CH2 4.49Å; L67-W69 HydrophobicContact CD2-CZ2 3.43Å; L67-W69 VanDerWaalsContact CD2-CZ2 3.43Å; L67-W69 HydrophobicContact CG-CZ2 3.69Å; L67-T83 HydrophobicContact CD2-CG2 4.18Å; L67-F103 HydrophobicContact CB-CB 3.8Å; L67-F103 HydrophobicContact CB-CD1 3.82Å; L67-F103 HydrophobicContact CB-CG 4.08Å; L67-F103 HydrophobicContact CD2-CB 3.86Å; L67-F103 HydrophobicContact CD2-CD1 3.71Å; L67-F103 HydrophobicContact CD2-CD2 4.03Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.49Å; L67-F103 HydrophobicContact CD2-CG 3.59Å; L67-F103 HydrophobicContact CG-CD1 4.31Å; L67-F103 HydrophobicContact CG-CG 4.49Å; L67-V104 PolarHBondContact N-O 3.26Å; L67-T105 HydrophobicContact CB-CG2 3.85Å; L67-T105 HydrophobicContact CG-CG2 4.49Å; L67-T105 WeakPolarHBondContact O-CG2 3.27Å
68R98.2Very high95.3Very high43 Ų4337.9 Ų37.916%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-128.2151.7174.3-60.9173.471.1177.810.6109.6E32 A48 F49 F70 E75E32-R68 VanDerWaalsContact CD-NH1 3.29Å; E32-R68 IonicContact OE1-CZ 3.45Å; E32-R68 IonicContact OE1-NH1 3.7Å; E32-R68 PolarHBondContact OE1-NH1 3.3Å; E32-R68 IonicContact OE1-NH2 2.71Å; E32-R68 IonicContact OE2-CZ 3.84Å; E32-R68 VanDerWaalsContact OE2-CZ 3.32Å; E32-R68 IonicContact OE2-NH1 3.95Å; E32-R68 PolarHBondContact OE2-NH1 2.97Å; E32-R68 IonicContact OE2-NH2 3.98Å; E32-R68 PolarHBondContact OE2-NH2 2.79Å; A48-R68 WeakPolarHBondContact CA-O 3.36Å; F49-R68 PolarHBondContact N-O 3.36Å; F49-R68 PolarHBondContact O-N 3.17Å; R68-F70 HydrophobicContact CB-CD2 4.43Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; R68-E75 WeakPolarHBondContact CG-OE1 3.36Å; R68-E75 IonicContact CZ-OE1 2.75Å; R68-E75 IonicContact CZ-OE2 2.66Å; R68-E75 IonicContact NE-OE1 2.91Å; R68-E75 PolarHBondContact NE-OE1 3.23Å; R68-E75 IonicContact NE-OE2 3.87Å; R68-E75 IonicContact NH2-OE1 3.96Å; R68-E75 IonicContact NH2-OE2 3.29Å; R68-E75 PolarHBondContact NH2-OE2 3.48Å
69W97.6Very high95.2Very high2 Ų235.9 Ų35.91%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-130135.1178.5-49.8-82.9000110.8E46 T47 L67 E75 V76 P77 C79 A82 T83 T105 L110E46-W69 HydrophobicContact CG-CB 4.37Å; T47-W69 WeakPolarHBondContact O-CA 3.47Å; L67-W69 HydrophobicContact CB-CZ2 4.49Å; L67-W69 HydrophobicContact CD2-CH2 4.49Å; L67-W69 HydrophobicContact CD2-CZ2 3.43Å; L67-W69 VanDerWaalsContact CD2-CZ2 3.43Å; L67-W69 HydrophobicContact CG-CZ2 3.69Å; W69-E75 CarbonylContact O-C 3.41Å; W69-E75 WeakPolarHBondContact O-CA 3.38Å; W69-E75 WeakPolarHBondContact O-CG 3.16Å; W69-V76 HydrophobicContact CB-CG2 3.71Å; W69-V76 PolarHBondContact O-N 3.06Å; W69-P77 WeakPolarHBondContact CZ3-O 3.25Å; W69-C79 HydrophobicContact CB-CB 3.97Å; W69-C79 HydrophobicContact CD2-CB 3.86Å; W69-C79 HydrophobicContact CE3-CB 4.49Å; W69-C79 HydrophobicContact CG-CB 3.61Å; W69-A82 VanDerWaalsContact CD1-CB 3.48Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.31Å; W69-T105 HydrophobicContact CH2-CG2 3.27Å; W69-T105 HydrophobicContact CZ2-CG2 3.89Å; W69-T105 HydrophobicContact CZ3-CG2 3.92Å; W69-L110 HydrophobicContact CH2-CD1 3.49Å; W69-L110 VanDerWaalsContact CH2-CD1 3.49Å; W69-L110 HydrophobicContact CZ2-CD1 3.76Å
70F96.8Very high94.9Very high9 Ų935.9 Ų35.94%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-127.3126.8179.6-72.1-103.6000109.5H35 Q36 A39 E46 T47 F49 R68 E75H35-F70 HydrophobicContact CB-CD1 4.27Å; H35-F70 HydrophobicContact CB-CD2 4.08Å; H35-F70 HydrophobicContact CB-CE1 3.85Å; H35-F70 HydrophobicContact CB-CE2 3.66Å; H35-F70 HydrophobicContact CB-CG 4.37Å; H35-F70 HydrophobicContact CB-CZ 3.52Å; H35-F70 AromaticContact CD2-CE2 3.78Å; H35-F70 AromaticContact CG-CE2 4Å; Q36-F70 HydrophobicContact CB-CD1 4.47Å; A39-F70 HydrophobicContact CB-CB 3.51Å; E46-F70 CarbonylContact C-O 3.58Å; E46-F70 WeakPolarHBondContact CA-O 3.44Å; T47-F70 PolarHBondContact N-O 2.88Å; T47-F70 PolarHBondContact O-N 2.95Å; F49-F70 AromaticContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CE2 4.18Å; F49-F70 HydrophobicContact CE2-CB 4.31Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.38Å; F49-F70 HydrophobicContact CE2-CG 4.24Å; R68-F70 HydrophobicContact CB-CD2 4.43Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; F70-E75 HydrophobicContact CD1-CB 3.83Å; F70-E75 HydrophobicContact CD1-CG 4.41Å; F70-E75 HydrophobicContact CD2-CG 4.34Å; F70-E75 HydrophobicContact CE1-CB 3.53Å; F70-E75 HydrophobicContact CE1-CG 4.05Å; F70-E75 HydrophobicContact CE2-CB 4.36Å; F70-E75 HydrophobicContact CE2-CG 3.95Å; F70-E75 HydrophobicContact CG-CB 4.38Å; F70-E75 HydrophobicContact CZ-CB 3.82Å; F70-E75 HydrophobicContact CZ-CG 3.8Å
71T92.5Very high94.8Very high29 Ų2934.6 Ų34.618%0.17821%0.209CC..  trans-74.4170.8157.868.10000108.6Q36 S45 E46 A73 S74 V76Q36-T71 PolarHBondContact NE2-O 2.91Å; S45-T71 WeakPolarHBondContact O-CA 3.47Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; T71-A73 PolarHBondContact O-N 2.69Å; T71-A73 VanDerWaalsContact O-N 3.1Å; T71-A73 PolarHBondContact OG1-N 3.11Å; T71-S74 PolarHBondContact N-O 3.21Å; T71-S74 PolarHBondContact OG1-N 2.93Å; T71-S74 PolarHBondContact OG1-O 3.01Å; T71-V76 HydrophobicContact CG2-CG1 3.74Å
72P92.4Very high94.8Very high37 Ų3728.6 Ų28.624%0.2418%0.181CC..SBendtrans-58.3-21.4170.3-27.738000113.8Q36 R40 L44Q36-P72 VanDerWaalsContact NE2-C 3.26Å; Q36-P72 PolarHBondContact NE2-O 3.03Å; R40-P72 HydrophobicContact CG-CB 4.33Å; R40-P72 WeakPolarHBondContact CG-O 3.37Å; R40-P72 PolarHBondContact NE-O 3.31Å; R40-P72 VanDerWaalsContact NE-O 3.11Å; L44-P72 WeakPolarHBondContact O-CD 3.44Å
73A90.4Very high94.8Very high76 Ų7627.8 Ų27.863%0.62818%0.176SC*.SBendtrans-94.3-43-177.200000113.5Q36 T71Q36-A73 PolarHBondContact OE1-O 2.85Å; T71-A73 PolarHBondContact O-N 2.69Å; T71-A73 VanDerWaalsContact O-N 3.1Å; T71-A73 PolarHBondContact OG1-N 3.11Å
74S91.2Very high94.8Very high58 Ų5825.4 Ų25.441%0.40616%0.159SC..  trans-159.7164.1-171.767.90000113.5T71T71-S74 PolarHBondContact N-O 3.21Å; T71-S74 PolarHBondContact OG1-N 2.93Å; T71-S74 PolarHBondContact OG1-O 3.01Å
75E94.5Very high94.8Very high55 Ų5523.5 Ų23.526%0.25715%0.146SC..EExtended strand (participates in β ladder)trans-63143.4161.9-166.9165.7-168.800110.5R68 W69 F70 L106R68-E75 WeakPolarHBondContact CG-OE1 3.36Å; R68-E75 IonicContact CZ-OE1 2.75Å; R68-E75 IonicContact CZ-OE2 2.66Å; R68-E75 IonicContact NE-OE1 2.91Å; R68-E75 PolarHBondContact NE-OE1 3.23Å; R68-E75 IonicContact NE-OE2 3.87Å; R68-E75 IonicContact NH2-OE1 3.96Å; R68-E75 IonicContact NH2-OE2 3.29Å; R68-E75 PolarHBondContact NH2-OE2 3.48Å; W69-E75 CarbonylContact O-C 3.41Å; W69-E75 WeakPolarHBondContact O-CA 3.38Å; W69-E75 WeakPolarHBondContact O-CG 3.16Å; F70-E75 HydrophobicContact CD1-CB 3.83Å; F70-E75 HydrophobicContact CD1-CG 4.41Å; F70-E75 HydrophobicContact CD2-CG 4.34Å; F70-E75 HydrophobicContact CE1-CB 3.53Å; F70-E75 HydrophobicContact CE1-CG 4.05Å; F70-E75 HydrophobicContact CE2-CB 4.36Å; F70-E75 HydrophobicContact CE2-CG 3.95Å; F70-E75 HydrophobicContact CG-CB 4.38Å; F70-E75 HydrophobicContact CZ-CB 3.82Å; F70-E75 HydrophobicContact CZ-CG 3.8Å; E75-L106 HydrophobicContact CG-CD1 4.27Å
76V90.5Very high94.8Very high29 Ų2923.5 Ų23.518%0.17615%0.146CC..EExtended strand (participates in β ladder)trans-119.5142.2173.8-63.80000110.5E46 W69 T71 L78 C79E46-V76 HydrophobicContact CG-CG2 4.24Å; W69-V76 HydrophobicContact CB-CG2 3.71Å; W69-V76 PolarHBondContact O-N 3.06Å; T71-V76 HydrophobicContact CG2-CG1 3.74Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 2.83Å; V76-C79 HydrophobicContact CG2-CB 4.27Å
77P88.9Confident94.8Very high79 Ų7923.5 Ų23.551%0.51315%0.146SC..SBendtrans-73.5-20.9-171.129.9-36.8000113.2W69 L106 S107W69-P77 WeakPolarHBondContact CZ3-O 3.25Å; P77-L106 HydrophobicContact CB-CB 4.49Å; P77-S107 VanDerWaalsContact C-OG 3.23Å; P77-S107 WeakPolarHBondContact O-CB 3.39Å; P77-S107 PolarHBondContact O-N 3.07Å; P77-S107 PolarHBondContact O-OG 3.22Å
78L88.1Confident94.8Very high52 Ų5223.4 Ų23.427%0.27215%0.146SC..  trans-155.4126.4-176.3-177.2114.9000110.4V76 L110V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 2.83Å; L78-L110 HydrophobicContact CD1-CD1 4.07Å; L78-L110 HydrophobicContact CD1-CD2 3.94Å; L78-L110 HydrophobicContact CD1-CG 4.48Å
79C92.5Very high94.8Very high6 Ų621.4 Ų21.44%0.04114%0.138CC..  trans-137.7114.7171.2-177.60000112.1E46 W69 V76 A82 T83E46-C79 HydrophobicContact CG-CB 4.17Å; E46-C79 PolarHBondContact OE1-SG 2.95Å; W69-C79 HydrophobicContact CB-CB 3.97Å; W69-C79 HydrophobicContact CD2-CB 3.86Å; W69-C79 HydrophobicContact CE3-CB 4.49Å; W69-C79 HydrophobicContact CG-CB 3.61Å; V76-C79 HydrophobicContact CG2-CB 4.27Å; C79-A82 HydrophobicContact CB-CB 4.25Å; C79-A82 VanDerWaalsContact SG-CB 3.58Å; C79-T83 WeakPolarHBondContact O-CB 3.27Å; C79-T83 PolarHBondContact O-N 3.28Å; C79-T83 PolarHBondContact O-OG1 2.92Å
80G92.4Very high94.9Very high10 Ų1021.3 Ų21.310%0.10314%0.137CC..Hα-helixtrans-68.5-51.7-177.800000113.5A82 T83 L84 L121G80-A82 PolarHBondContact O-N 2.79Å; G80-T83 WeakPolarHBondContact O-CB 3.44Å; G80-T83 PolarHBondContact O-N 2.99Å; G80-T83 VanDerWaalsContact O-N 3.16Å; G80-L84 PolarHBondContact O-N 2.95Å; G80-L121 WeakPolarHBondContact O-CD1 3.49Å
81H96.2Very high94.9Very high6 Ų621.3 Ų21.33%0.02814%0.138CC..Hα-helixtrans-67.4-38.8-172.979.2-104000112A10 F11 N19 E46 T83 L84 A85A10-H81 HydrophobicContact CB-CB 3.94Å; A10-H81 WeakPolarHBondContact CB-O 3.47Å; F11-H81 HydrophobicContact CD2-CB 3.96Å; F11-H81 HydrophobicContact CE2-CB 3.53Å; N19-H81 HydrophobicContact CB-CB 4.01Å; N19-H81 PolarHBondContact ND2-CE1 2.82Å; N19-H81 PolarHBondContact ND2-ND1 3.42Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.39Å; E46-H81 IonicContact OE2-ND1 3.11Å; E46-H81 IonicContact OE2-NE2 3.47Å; E46-H81 PolarHBondContact OE2-NE2 2.98Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.84Å; H81-L84 WeakPolarHBondContact O-CB 3.37Å; H81-L84 PolarHBondContact O-N 2.83Å; H81-L84 VanDerWaalsContact O-N 3.15Å; H81-A85 WeakPolarHBondContact O-CB 3.37Å; H81-A85 PolarHBondContact O-N 2.9Å
82A97.7Very high95.1Very high0 Ų024.2 Ų24.20%015%0.149CC..Hα-helixtrans-71.1-25.8176.600000112.2A21 E46 A48 W69 C79 G80 S86A21-A82 HydrophobicContact CB-CB 3.85Å; E46-A82 HydrophobicContact CB-CB 3.9Å; A48-A82 HydrophobicContact CB-CB 4.23Å; W69-A82 VanDerWaalsContact CD1-CB 3.48Å; C79-A82 HydrophobicContact CB-CB 4.25Å; C79-A82 VanDerWaalsContact SG-CB 3.58Å; G80-A82 PolarHBondContact O-N 2.79Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.32Å; A82-S86 PolarHBondContact O-N 2.96Å; A82-S86 PolarHBondContact O-OG 2.82Å
83T98.3Very high95.3Very high1 Ų126.3 Ų26.31%0.00615%0.154CC..Hα-helixtrans-66.3-44.3166.4-56.30000111.6L67 W69 C79 G80 H81 S86 A87 F103 L110 L121L67-T83 HydrophobicContact CD2-CG2 4.18Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.31Å; C79-T83 WeakPolarHBondContact O-CB 3.27Å; C79-T83 PolarHBondContact O-N 3.28Å; C79-T83 PolarHBondContact O-OG1 2.92Å; G80-T83 WeakPolarHBondContact O-CB 3.44Å; G80-T83 PolarHBondContact O-N 2.99Å; G80-T83 VanDerWaalsContact O-N 3.16Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.84Å; T83-S86 WeakPolarHBondContact O-CB 3.39Å; T83-S86 PolarHBondContact O-N 2.96Å; T83-A87 PolarHBondContact O-N 2.83Å; T83-F103 HydrophobicContact CG2-CD2 3.74Å; T83-F103 HydrophobicContact CG2-CE2 3.94Å; T83-L110 HydrophobicContact CG2-CB 4.44Å; T83-L110 HydrophobicContact CG2-CD1 4.4Å; T83-L121 HydrophobicContact CG2-CD2 3.89Å
84L98.4Very high95.7Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-62-45.8176.2-164.8150.1000110.9A10 F11 G80 H81 S86 A87 A88 I119 L121 G277 A278A10-L84 HydrophobicContact CB-CB 4.26Å; A10-L84 HydrophobicContact CB-CD2 3.94Å; F11-L84 HydrophobicContact CD1-CD1 3.85Å; F11-L84 HydrophobicContact CE1-CD1 3.49Å; F11-L84 VanDerWaalsContact CE1-CD1 3.49Å; F11-L84 HydrophobicContact CZ-CD1 3.95Å; G80-L84 PolarHBondContact O-N 2.95Å; H81-L84 WeakPolarHBondContact O-CB 3.37Å; H81-L84 PolarHBondContact O-N 2.83Å; H81-L84 VanDerWaalsContact O-N 3.15Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.22Å; L84-A87 PolarHBondContact O-N 2.84Å; L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.99Å; L84-I119 HydrophobicContact CG-CB 4.26Å; L84-I119 HydrophobicContact CG-CG2 4.47Å; L84-L121 HydrophobicContact CB-CD1 3.98Å; L84-L121 HydrophobicContact CB-CD2 4.43Å; L84-L121 HydrophobicContact CB-CG 4.33Å; L84-L121 HydrophobicContact CD1-CD1 4.47Å; L84-L121 HydrophobicContact CD1-CG 4.41Å; L84-G277 WeakPolarHBondContact CD2-O 3.14Å; L84-A278 HydrophobicContact CD2-CB 3.7Å
85A98.7Very high96Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-57.3-44.5173.800000112A8 A21 V23 H81 A88 V89A8-A85 HydrophobicContact CB-CB 3.94Å; A21-A85 HydrophobicContact CB-CB 3.85Å; V23-A85 HydrophobicContact CG2-CB 3.87Å; H81-A85 WeakPolarHBondContact O-CB 3.37Å; H81-A85 PolarHBondContact O-N 2.9Å; A85-A88 WeakPolarHBondContact O-CB 3.37Å; A85-A88 PolarHBondContact O-N 3.15Å; A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.16Å
86S98.8Very high96.2Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-59.8-47.8177-670000112.1A48 A82 T83 L84 A88 V89 L90A48-S86 VanDerWaalsContact CB-OG 3.27Å; A48-S86 WeakPolarHBondContact CB-OG 3.39Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.32Å; A82-S86 PolarHBondContact O-N 2.96Å; A82-S86 PolarHBondContact O-OG 2.82Å; T83-S86 WeakPolarHBondContact O-CB 3.39Å; T83-S86 PolarHBondContact O-N 2.96Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.22Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 3.42Å; S86-V89 PolarHBondContact O-N 2.87Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 3.45Å; S86-L90 VanDerWaalsContact O-N 3.09Å
87A98.7Very high96.5Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-62.2-38.2174.800000112T83 L84 L90 F91 L101 F103 A112 I119T83-A87 PolarHBondContact O-N 2.83Å; L84-A87 PolarHBondContact O-N 2.84Å; A87-L90 PolarHBondContact O-N 3.24Å; A87-F91 HydrophobicContact CB-CD2 4.24Å; A87-F91 HydrophobicContact CB-CE2 4.1Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 WeakPolarHBondContact O-CG 3.42Å; A87-F91 PolarHBondContact O-N 2.77Å; A87-L101 HydrophobicContact CB-CD1 4.3Å; A87-F103 HydrophobicContact CB-CE2 4.28Å; A87-F103 HydrophobicContact CB-CZ 4.39Å; A87-A112 HydrophobicContact CB-CB 3.53Å; A87-I119 HydrophobicContact CB-CD1 3.98Å; A87-I119 HydrophobicContact CB-CG2 3.92Å
88A98.3Very high97Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-64.8-41.5177.600000112.7L84 A85 S86 H92 I119 A278L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.99Å; A85-A88 WeakPolarHBondContact O-CB 3.37Å; A85-A88 PolarHBondContact O-N 3.15Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 3.42Å; A88-H92 WeakPolarHBondContact O-CA 3.37Å; A88-H92 WeakPolarHBondContact O-CB 3.5Å; A88-H92 PolarHBondContact O-N 3.11Å; A88-I119 VanDerWaalsContact CA-CD1 3.43Å; A88-I119 HydrophobicContact CB-CD1 3.67Å; A88-I119 VanDerWaalsContact N-CD1 3.32Å; A88-A278 HydrophobicContact CB-CB 3.29Å
89V98.7Very high97.4Very high0 Ų032.1 Ų32.10%016%0.162CC..Iπ-helixtrans-61.1-48.4173.7169.20000110.2F6 V23 L25 A85 S86 K93 I94 V280F6-V89 HydrophobicContact CB-CG2 3.67Å; F6-V89 HydrophobicContact CD1-CG1 4.13Å; F6-V89 HydrophobicContact CD1-CG2 4.32Å; F6-V89 HydrophobicContact CD2-CG1 3.52Å; F6-V89 HydrophobicContact CD2-CG2 4.23Å; F6-V89 HydrophobicContact CE1-CG1 4.2Å; F6-V89 HydrophobicContact CE2-CG1 3.65Å; F6-V89 HydrophobicContact CG-CB 4.5Å; F6-V89 HydrophobicContact CG-CG1 3.79Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 3.99Å; V23-V89 HydrophobicContact CB-CG2 3.97Å; V23-V89 HydrophobicContact CG1-CB 4.14Å; V23-V89 HydrophobicContact CG1-CG1 4.29Å; V23-V89 HydrophobicContact CG1-CG2 4.03Å; V23-V89 HydrophobicContact CG2-CG2 4.13Å; L25-V89 HydrophobicContact CD1-CG1 4.43Å; L25-V89 HydrophobicContact CD2-CG1 4.42Å; A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.16Å; S86-V89 PolarHBondContact O-N 2.87Å; V89-K93 WeakPolarHBondContact O-CA 3Å; V89-K93 VanDerWaalsContact O-CB 3.32Å; V89-K93 WeakPolarHBondContact O-CB 3.17Å; V89-K93 PolarHBondContact O-N 3.47Å; V89-I94 HydrophobicContact CG1-CG1 4.4Å; V89-I94 PolarHBondContact O-N 3.23Å; V89-V280 HydrophobicContact CG2-CG2 4.45Å
90L98.7Very high97.7Very high0 Ų034.2 Ų34.20%017%0.174CC..Iπ-helixtrans-62.8-47.9179.4-69.3173.2000112.2L25 I50 F59 F65 S86 A87 I94 K95 N96 L101 F103L25-L90 HydrophobicContact CD2-CD2 4.2Å; I50-L90 HydrophobicContact CD1-CD1 4.05Å; I50-L90 HydrophobicContact CD1-CD2 4.44Å; I50-L90 HydrophobicContact CD1-CG 4.03Å; I50-L90 HydrophobicContact CG2-CD1 4.28Å; F59-L90 HydrophobicContact CB-CD2 3.93Å; F59-L90 HydrophobicContact CD1-CD2 3.9Å; F59-L90 HydrophobicContact CG-CD2 4.3Å; F65-L90 HydrophobicContact CD2-CD1 3.84Å; F65-L90 HydrophobicContact CE2-CD1 3.88Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 3.45Å; S86-L90 VanDerWaalsContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 3.24Å; L90-I94 HydrophobicContact CD2-CG1 4.39Å; L90-I94 CarbonylContact O-C 3.53Å; L90-I94 WeakPolarHBondContact O-CB 3.05Å; L90-K95 PolarHBondContact O-N 3.21Å; L90-K95 VanDerWaalsContact O-N 3.09Å; L90-N96 HydrophobicContact CB-CB 4.29Å; L90-N96 VanDerWaalsContact O-CB 3.31Å; L90-N96 WeakPolarHBondContact O-CB 3.42Å; L90-N96 PolarHBondContact O-N 2.9Å; L90-L101 HydrophobicContact CB-CD1 3.73Å; L90-L101 HydrophobicContact CD1-CD1 3.68Å; L90-L101 HydrophobicContact CG-CD1 4.37Å; L90-F103 HydrophobicContact CD1-CE1 3.86Å; L90-F103 HydrophobicContact CD1-CZ 3.94Å
91F98Very high98Very high10 Ų1033.7 Ų33.74%0.04417%0.169CC..Iπ-helixtrans-72.7-42.7-178.2-68.4-42.5000113.6A87 K95 N96 N98 L101 R114 I119A87-F91 HydrophobicContact CB-CD2 4.24Å; A87-F91 HydrophobicContact CB-CE2 4.1Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 WeakPolarHBondContact O-CG 3.42Å; A87-F91 PolarHBondContact O-N 2.77Å; F91-K95 WeakPolarHBondContact O-CA 3.42Å; F91-N96 HydrophobicContact CD1-CB 4.44Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; F91-L101 HydrophobicContact CD1-CD1 4.09Å; F91-L101 HydrophobicContact CD2-CD1 4.38Å; F91-L101 HydrophobicContact CE1-CD1 3.6Å; F91-L101 HydrophobicContact CE1-CD2 4.28Å; F91-L101 HydrophobicContact CE1-CG 3.6Å; F91-L101 HydrophobicContact CE2-CD1 3.95Å; F91-L101 HydrophobicContact CE2-CG 4.37Å; F91-L101 HydrophobicContact CG-CD1 4.46Å; F91-L101 HydrophobicContact CZ-CB 4.38Å; F91-L101 HydrophobicContact CZ-CD1 3.54Å; F91-L101 HydrophobicContact CZ-CG 3.53Å; F91-R114 HydrophobicContact CD2-CB 4.33Å; F91-R114 HydrophobicContact CE1-CB 4.44Å; F91-R114 HydrophobicContact CE2-CB 4.07Å; F91-R114 HydrophobicContact CZ-CB 4.13Å; F91-I119 HydrophobicContact CD2-CD1 3.95Å; F91-I119 HydrophobicContact CD2-CG1 4.1Å; F91-I119 HydrophobicContact CE2-CG1 4.46Å; F91-I119 HydrophobicContact CE2-CG2 4.44Å
92H95.9Very high98.1Very high90 Ų9034.5 Ų34.542%0.41718%0.175SC..Iπ-helixtrans-97.9-36-168.5-54.8163.2000113.1A88A88-H92 WeakPolarHBondContact O-CA 3.37Å; A88-H92 WeakPolarHBondContact O-CB 3.5Å; A88-H92 PolarHBondContact O-N 3.11Å
93K97.2Very high98.2Very high81 Ų8134.5 Ų34.535%0.35218%0.175SC..Iπ-helixtrans-93.2-51.2-178.9-65.9-61.3-164.8147.80112.1F6 V89 K95 V280 E283F6-K93 HydrophobicContact CD1-CB 4.38Å; F6-K93 HydrophobicContact CD1-CG 4.1Å; F6-K93 HydrophobicContact CE1-CB 3.83Å; F6-K93 HydrophobicContact CE1-CG 3.99Å; V89-K93 WeakPolarHBondContact O-CA 3Å; V89-K93 VanDerWaalsContact O-CB 3.32Å; V89-K93 WeakPolarHBondContact O-CB 3.17Å; V89-K93 PolarHBondContact O-N 3.47Å; K93-K95 VanDerWaalsContact C-N 3.27Å; K93-K95 PolarHBondContact O-N 3.09Å; K93-V280 HydrophobicContact CD-CG1 4.43Å; K93-V280 HydrophobicContact CG-CB 4.34Å; K93-V280 HydrophobicContact CG-CG1 4.08Å; K93-V280 HydrophobicContact CG-CG2 4.1Å; K93-E283 IonicContact NZ-OE2 3.32Å; K93-E283 PolarHBondContact NZ-OE2 3Å
94I97.8Very high98.2Very high50 Ų5037.1 Ų37.126%0.25619%0.19SC..SBendtrans-78.6-17.2178.5-52.4-54000112F6 L25 F59 A60 V89 L90 N96F6-I94 HydrophobicContact CZ-CD1 4.21Å; L25-I94 HydrophobicContact CD1-CD1 3.51Å; L25-I94 HydrophobicContact CD1-CG1 3.69Å; F59-I94 HydrophobicContact CB-CG2 3.74Å; F59-I94 WeakPolarHBondContact O-CG2 3.43Å; A60-I94 HydrophobicContact CB-CG2 4.21Å; V89-I94 HydrophobicContact CG1-CG1 4.4Å; V89-I94 PolarHBondContact O-N 3.23Å; L90-I94 HydrophobicContact CD2-CG1 4.39Å; L90-I94 CarbonylContact O-C 3.53Å; L90-I94 WeakPolarHBondContact O-CB 3.05Å; I94-N96 VanDerWaalsContact C-N 3.31Å; I94-N96 PolarHBondContact O-N 2.92Å
95K97.6Very high98.1Very high157 Ų15738 Ų3868%0.68320%0.196SC*.  trans57.844.1-177.2-56.4-178.7-179.9178.40111.9L90 F91 K93 M97L90-K95 PolarHBondContact O-N 3.21Å; L90-K95 VanDerWaalsContact O-N 3.09Å; F91-K95 WeakPolarHBondContact O-CA 3.42Å; K93-K95 VanDerWaalsContact C-N 3.27Å; K93-K95 PolarHBondContact O-N 3.09Å; K95-M97 PolarHBondContact O-N 2.62Å
96N98.5Very high97.8Very high1 Ų143.9 Ų43.91%0.00523%0.227CC..  trans-54131.4174.8-172-65.4000110.3F59 A60 S62 L90 F91 I94 N98F59-N96 PolarHBondContact O-ND2 2.66Å; A60-N96 CarbonylContact O-C 3.59Å; A60-N96 VanDerWaalsContact O-CA 3.24Å; A60-N96 WeakPolarHBondContact O-CA 3.37Å; S62-N96 PolarHBondContact O-ND2 2.72Å; L90-N96 HydrophobicContact CB-CB 4.29Å; L90-N96 VanDerWaalsContact O-CB 3.31Å; L90-N96 WeakPolarHBondContact O-CB 3.42Å; L90-N96 PolarHBondContact O-N 2.9Å; F91-N96 HydrophobicContact CD1-CB 4.44Å; I94-N96 VanDerWaalsContact C-N 3.31Å; I94-N96 PolarHBondContact O-N 2.92Å; N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 2.92Å; N96-N98 WeakPolarHBondContact OD1-CB 3.4Å; N96-N98 PolarHBondContact OD1-N 2.91Å; N96-N98 PolarHBondContact OD1-ND2 3.3Å
97M97.5Very high97.3Very high142 Ų14246.7 Ų46.770%0.725%0.246SC*.  trans-77.9-18.7-169.5-62.8-178.168.300113.4A60 K95A60-M97 PolarHBondContact O-N 3.04Å; K95-M97 PolarHBondContact O-N 2.62Å
98N98.5Very high97.1Very high48 Ų4848.3 Ų48.326%0.25726%0.263SS..  trans-73.9152.3-177.2-60.9-79.8000111.3Q61 S62 F91 N96Q61-N98 PolarHBondContact O-ND2 2.99Å; S62-N98 PolarHBondContact O-ND2 2.9Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 2.92Å; N96-N98 WeakPolarHBondContact OD1-CB 3.4Å; N96-N98 PolarHBondContact OD1-N 2.91Å; N96-N98 PolarHBondContact OD1-ND2 3.3Å
99S97.6Very high97Very high72 Ų7253.5 Ų53.550%0.50329%0.288SS..SBendtrans-85.4-19.8170.959.10000112.8R113 R114S99-R113 WeakPolarHBondContact O-CA 3.27Å; S99-R114 PolarHBondContact O-N 3.12Å
100T98.6Very high96.9Very high50 Ų5054 Ų5431%0.30729%0.29SS..EExtended strand (participates in β ladder)trans-133.2135.4-177.3-55.10000109.2A112 R113T100-A112 CarbonylContact C-O 3.52Å; T100-A112 WeakPolarHBondContact CA-O 3.43Å; T100-R113 HydrophobicContact CG2-CG 3.88Å
101L98.7Very high96.8Very high0 Ų059.6 Ų59.60%031%0.311CS..EExtended strand (participates in β ladder)trans-115136.1172.4-63.2172.7000109.1S63 F65 A87 L90 F91 F103 R111 A112S63-L101 CarbonylContact O-C 3.56Å; S63-L101 WeakPolarHBondContact O-CA 3.33Å; F65-L101 HydrophobicContact CD2-CD2 4.41Å; F65-L101 HydrophobicContact CE2-CD2 3.91Å; A87-L101 HydrophobicContact CB-CD1 4.3Å; L90-L101 HydrophobicContact CB-CD1 3.73Å; L90-L101 HydrophobicContact CD1-CD1 3.68Å; L90-L101 HydrophobicContact CG-CD1 4.37Å; F91-L101 HydrophobicContact CD1-CD1 4.09Å; F91-L101 HydrophobicContact CD2-CD1 4.38Å; F91-L101 HydrophobicContact CE1-CD1 3.6Å; F91-L101 HydrophobicContact CE1-CD2 4.28Å; F91-L101 HydrophobicContact CE1-CG 3.6Å; F91-L101 HydrophobicContact CE2-CD1 3.95Å; F91-L101 HydrophobicContact CE2-CG 4.37Å; F91-L101 HydrophobicContact CG-CD1 4.46Å; F91-L101 HydrophobicContact CZ-CB 4.38Å; F91-L101 HydrophobicContact CZ-CD1 3.54Å; F91-L101 HydrophobicContact CZ-CG 3.53Å; L101-F103 HydrophobicContact CB-CE2 4.16Å; L101-F103 HydrophobicContact CB-CZ 4.19Å; L101-F103 HydrophobicContact CD1-CZ 4.22Å; L101-R111 WeakPolarHBondContact O-CA 3.33Å; L101-A112 PolarHBondContact N-O 2.77Å; L101-A112 PolarHBondContact O-N 3.38Å
102T98.6Very high96.9Very high23 Ų2359.1 Ų59.114%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-109.8127.6171.6-60.10000108.9S63 C64 F65 E109S63-T102 PolarHBondContact O-N 3.35Å; C64-T102 VanDerWaalsContact CA-O 3.29Å; C64-T102 WeakPolarHBondContact CA-O 3.43Å; F65-T102 PolarHBondContact N-O 3.48Å; T102-E109 HydrophobicContact CG2-CB 4.06Å; T102-E109 HydrophobicContact CG2-CG 3.87Å
103F98.5Very high97Very high0 Ų059 Ų590%031%0.305CS..EExtended strand (participates in β ladder)trans-109.2120.5176.2-62.8-71.1000109.9I50 F65 L67 T83 A87 L90 L101 T105 E109 L110 A112I50-F103 HydrophobicContact CG2-CE1 4.44Å; F65-F103 HydrophobicContact CB-CD1 4.1Å; F65-F103 HydrophobicContact CB-CE1 4.33Å; F65-F103 HydrophobicContact CD2-CE1 4.41Å; F65-F103 CarbonylContact O-C 3.56Å; F65-F103 VanDerWaalsContact O-CA 3.31Å; F65-F103 WeakPolarHBondContact O-CA 3.44Å; L67-F103 HydrophobicContact CB-CB 3.8Å; L67-F103 HydrophobicContact CB-CD1 3.82Å; L67-F103 HydrophobicContact CB-CG 4.08Å; L67-F103 HydrophobicContact CD2-CB 3.86Å; L67-F103 HydrophobicContact CD2-CD1 3.71Å; L67-F103 HydrophobicContact CD2-CD2 4.03Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.49Å; L67-F103 HydrophobicContact CD2-CG 3.59Å; L67-F103 HydrophobicContact CG-CD1 4.31Å; L67-F103 HydrophobicContact CG-CG 4.49Å; T83-F103 HydrophobicContact CG2-CD2 3.74Å; T83-F103 HydrophobicContact CG2-CE2 3.94Å; A87-F103 HydrophobicContact CB-CE2 4.28Å; A87-F103 HydrophobicContact CB-CZ 4.39Å; L90-F103 HydrophobicContact CD1-CE1 3.86Å; L90-F103 HydrophobicContact CD1-CZ 3.94Å; L101-F103 HydrophobicContact CB-CE2 4.16Å; L101-F103 HydrophobicContact CB-CZ 4.19Å; L101-F103 HydrophobicContact CD1-CZ 4.22Å; F103-T105 HydrophobicContact CB-CG2 3.98Å; F103-E109 WeakPolarHBondContact O-CA 3.49Å; F103-L110 HydrophobicContact CB-CB 4.47Å; F103-L110 PolarHBondContact N-O 2.65Å; F103-L110 PolarHBondContact O-N 3.1Å; F103-A112 HydrophobicContact CE2-CB 4Å
104V98Very high97Very high55 Ų5561 Ų6133%0.33331%0.31SS..EExtended strand (participates in β ladder)trans-87114.2174.5-177.20000108.3L53 F65 G66 L67L53-V104 HydrophobicContact CD1-CG2 4.01Å; F65-V104 PolarHBondContact O-N 3.07Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å; L67-V104 PolarHBondContact N-O 3.26Å
105T96.5Very high96.8Very high18 Ų1860.3 Ų60.311%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-131.9175-170.579.80000111L67 W69 F103 S107 G108L67-T105 HydrophobicContact CB-CG2 3.85Å; L67-T105 HydrophobicContact CG-CG2 4.49Å; L67-T105 WeakPolarHBondContact O-CG2 3.27Å; W69-T105 HydrophobicContact CH2-CG2 3.27Å; W69-T105 HydrophobicContact CZ2-CG2 3.89Å; W69-T105 HydrophobicContact CZ3-CG2 3.92Å; F103-T105 HydrophobicContact CB-CG2 3.98Å; T105-S107 PolarHBondContact O-N 2.8Å; T105-S107 PolarHBondContact OG1-N 3.49Å; T105-G108 PolarHBondContact N-O 3.47Å; T105-G108 PolarHBondContact O-N 2.61Å; T105-G108 PolarHBondContact OG1-O 3.4Å
106L92.6Very high96.3Very high124 Ų12462.1 Ų62.165%0.64932%0.323SS*.THydrogen-bonded Turntrans-61.1-24.8175.3-68.8178.5000113.3E75 P77E75-L106 HydrophobicContact CG-CD1 4.27Å; P77-L106 HydrophobicContact CB-CB 4.49Å
107S89.7Confident95.6Very high59 Ų5967.6 Ų67.641%0.41335%0.352SS..THydrogen-bonded Turntrans-96.615.3177.1-61.90000113.4P77 T105P77-S107 VanDerWaalsContact C-OG 3.23Å; P77-S107 WeakPolarHBondContact O-CB 3.39Å; P77-S107 PolarHBondContact O-N 3.07Å; P77-S107 PolarHBondContact O-OG 3.22Å; T105-S107 PolarHBondContact O-N 2.8Å; T105-S107 PolarHBondContact OG1-N 3.49Å
108G93.9Very high95.5Very high35 Ų3561.4 Ų61.436%0.36132%0.324SS..EExtended strand (participates in β ladder)trans90.6-158-175.900000113.3T105T105-G108 PolarHBondContact N-O 3.47Å; T105-G108 PolarHBondContact O-N 2.61Å; T105-G108 PolarHBondContact OG1-O 3.4Å
109E95.8Very high95.5Very high109 Ų10959.1 Ų59.151%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-78.3127.1-177.9-69.8-172.2-177.200112T102 F103 R111T102-E109 HydrophobicContact CG2-CB 4.06Å; T102-E109 HydrophobicContact CG2-CG 3.87Å; F103-E109 WeakPolarHBondContact O-CA 3.49Å; E109-R111 IonicContact OE2-CZ 3.75Å; E109-R111 IonicContact OE2-NE 3.84Å; E109-R111 IonicContact OE2-NH2 2.81Å; E109-R111 PolarHBondContact OE2-NH2 2.79Å; E109-R111 VanDerWaalsContact OE2-NH2 3.07Å
110L95.9Very high95.5Very high9 Ų956.5 Ų56.55%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-110.8133.9165.3-64.8-177.2000109.9W69 L78 T83 F103 L123W69-L110 HydrophobicContact CH2-CD1 3.49Å; W69-L110 VanDerWaalsContact CH2-CD1 3.49Å; W69-L110 HydrophobicContact CZ2-CD1 3.76Å; L78-L110 HydrophobicContact CD1-CD1 4.07Å; L78-L110 HydrophobicContact CD1-CD2 3.94Å; L78-L110 HydrophobicContact CD1-CG 4.48Å; T83-L110 HydrophobicContact CG2-CB 4.44Å; T83-L110 HydrophobicContact CG2-CD1 4.4Å; F103-L110 HydrophobicContact CB-CB 4.47Å; F103-L110 PolarHBondContact N-O 2.65Å; F103-L110 PolarHBondContact O-N 3.1Å; L110-L123 HydrophobicContact CD2-CD2 4.34Å
111R98.1Very high95.5Very high119 Ų11954.2 Ų54.245%0.44928%0.279SS..EExtended strand (participates in β ladder)trans-110.8131.3-179.7-65.1179.1-177.1176.81.6110.6L101 E109 D122L101-R111 WeakPolarHBondContact O-CA 3.33Å; E109-R111 IonicContact OE2-CZ 3.75Å; E109-R111 IonicContact OE2-NE 3.84Å; E109-R111 IonicContact OE2-NH2 2.81Å; E109-R111 PolarHBondContact OE2-NH2 2.79Å; E109-R111 VanDerWaalsContact OE2-NH2 3.07Å; R111-D122 HydrophobicContact CB-CB 4.09Å; R111-D122 PolarHBondContact O-N 2.78Å
112A98.5Very high95.4Very high0 Ų054.9 Ų54.90%028%0.282CS..EExtended strand (participates in β ladder)trans-117.2126.4172.200000109.2A87 T100 L101 F103 I119 V120 L121A87-A112 HydrophobicContact CB-CB 3.53Å; T100-A112 CarbonylContact C-O 3.52Å; T100-A112 WeakPolarHBondContact CA-O 3.43Å; L101-A112 PolarHBondContact N-O 2.77Å; L101-A112 PolarHBondContact O-N 3.38Å; F103-A112 HydrophobicContact CE2-CB 4Å; A112-I119 HydrophobicContact CB-CG2 4.01Å; A112-V120 CarbonylContact C-O 3.58Å; A112-V120 WeakPolarHBondContact CA-O 3.27Å; A112-L121 HydrophobicContact CB-CD2 3.75Å
113R98.4Very high95.2Very high87 Ų8754.1 Ų54.133%0.32828%0.278SS..EExtended strand (participates in β ladder)trans-114.7136.1-179.6-65.6-179.4-71.2142.4-4.6110.2S99 T100 I119 V120 D273S99-R113 WeakPolarHBondContact O-CA 3.27Å; T100-R113 HydrophobicContact CG2-CG 3.88Å; R113-I119 CarbonylContact O-C 3.57Å; R113-I119 WeakPolarHBondContact O-CA 3.44Å; R113-V120 HydrophobicContact CB-CB 4.39Å; R113-V120 PolarHBondContact N-O 2.99Å; R113-V120 PolarHBondContact O-N 3.35Å; R113-D273 IonicContact CZ-OD2 3.07Å; R113-D273 IonicContact NH2-OD1 3.89Å; R113-D273 PolarHBondContact NH2-OD1 3.31Å; R113-D273 IonicContact NH2-OD2 3.69Å; R113-D273 PolarHBondContact NH2-OD2 3.31Å
114R97.3Very high95Very high124 Ų12455.9 Ų55.947%0.46829%0.289SS..EExtended strand (participates in β ladder)trans-69.7134.1169.9-170.7170.267.6-155-0.7109.3F91 S99F91-R114 HydrophobicContact CD2-CB 4.33Å; F91-R114 HydrophobicContact CE1-CB 4.44Å; F91-R114 HydrophobicContact CE2-CB 4.07Å; F91-R114 HydrophobicContact CZ-CB 4.13Å; S99-R114 PolarHBondContact O-N 3.12Å
115A94.3Very high94.9Very high35 Ų3555.1 Ų55.129%0.28928%0.283SS..EExtended strand (participates in β ladder)trans-129.9168.4172.800000109.6D117 G118 V120A115-D117 PolarHBondContact O-N 2.7Å; A115-G118 CarbonylContact C-O 3.57Å; A115-G118 WeakPolarHBondContact CA-O 3.14Å; A115-G118 PolarHBondContact N-O 3.42Å; A115-G118 PolarHBondContact O-N 3.28Å; A115-V120 HydrophobicContact CB-CG2 3.89Å
116E86Confident94.9Very high194 Ų19456.6 Ų56.691%0.90729%0.287SS*.THydrogen-bonded Turntrans-58.8-46.9-176.6-68.2-176.4164.900112.4
117D85.1Confident95.1Very high117 Ų11753.2 Ų53.263%0.62627%0.272SS*.THydrogen-bonded Turntrans-10630.8179.1-28.8-62.2000114A115 R275A115-D117 PolarHBondContact O-N 2.7Å; D117-R275 VanDerWaalsContact CB-NH1 3.33Å; D117-R275 IonicContact OD2-CZ 3.95Å; D117-R275 IonicContact OD2-NH1 2.69Å; D117-R275 PolarHBondContact OD2-NH1 2.9Å
118G94.9Very high95.4Very high11 Ų1151 Ų5111%0.11326%0.257CS..EExtended strand (participates in β ladder)trans146.1-146.1171.700000114.6A115A115-G118 CarbonylContact C-O 3.57Å; A115-G118 WeakPolarHBondContact CA-O 3.14Å; A115-G118 PolarHBondContact N-O 3.42Å; A115-G118 PolarHBondContact O-N 3.28Å
119I98.5Very high95.6Very high0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-125.3131.7-175-60.5170000108.7L84 A87 A88 F91 A112 R113 L121 R275 G276L84-I119 HydrophobicContact CG-CB 4.26Å; L84-I119 HydrophobicContact CG-CG2 4.47Å; A87-I119 HydrophobicContact CB-CD1 3.98Å; A87-I119 HydrophobicContact CB-CG2 3.92Å; A88-I119 VanDerWaalsContact CA-CD1 3.43Å; A88-I119 HydrophobicContact CB-CD1 3.67Å; A88-I119 VanDerWaalsContact N-CD1 3.32Å; F91-I119 HydrophobicContact CD2-CD1 3.95Å; F91-I119 HydrophobicContact CD2-CG1 4.1Å; F91-I119 HydrophobicContact CE2-CG1 4.46Å; F91-I119 HydrophobicContact CE2-CG2 4.44Å; A112-I119 HydrophobicContact CB-CG2 4.01Å; R113-I119 CarbonylContact O-C 3.57Å; R113-I119 WeakPolarHBondContact O-CA 3.44Å; I119-L121 HydrophobicContact CG2-CD2 4.47Å; I119-R275 VanDerWaalsContact O-CA 3.31Å; I119-R275 WeakPolarHBondContact O-CA 3.49Å; I119-G276 PolarHBondContact N-O 3.48Å; I119-G276 PolarHBondContact O-N 2.67Å
120V98.4Very high95.7Very high17 Ų1754.4 Ų54.410%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-99.9121.1177.4-176.20000109.1A112 R113 A115 D273 R275A112-V120 CarbonylContact C-O 3.58Å; A112-V120 WeakPolarHBondContact CA-O 3.27Å; R113-V120 HydrophobicContact CB-CB 4.39Å; R113-V120 PolarHBondContact N-O 2.99Å; R113-V120 PolarHBondContact O-N 3.35Å; A115-V120 HydrophobicContact CB-CG2 3.89Å; V120-D273 HydrophobicContact CG1-CB 3.56Å; V120-R275 HydrophobicContact CG2-CB 4.02Å; V120-R275 HydrophobicContact CG2-CG 3.91Å
121L98.2Very high95.8Very high2 Ų255.1 Ų55.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-93.4133.9169.5-61.9-173.6000110.5G80 T83 L84 A112 I119 L123 D273 I274G80-L121 WeakPolarHBondContact O-CD1 3.49Å; T83-L121 HydrophobicContact CG2-CD2 3.89Å; L84-L121 HydrophobicContact CB-CD1 3.98Å; L84-L121 HydrophobicContact CB-CD2 4.43Å; L84-L121 HydrophobicContact CB-CG 4.33Å; L84-L121 HydrophobicContact CD1-CD1 4.47Å; L84-L121 HydrophobicContact CD1-CG 4.41Å; A112-L121 HydrophobicContact CB-CD2 3.75Å; I119-L121 HydrophobicContact CG2-CD2 4.47Å; L121-L123 HydrophobicContact CB-CD1 4.48Å; L121-L123 HydrophobicContact CB-CD2 4.5Å; L121-L123 HydrophobicContact CB-CG 4.15Å; L121-D273 WeakPolarHBondContact O-CA 3.37Å; L121-I274 PolarHBondContact N-O 3.47Å; L121-I274 PolarHBondContact O-N 3.19Å
122D96.2Very high95.8Very high14 Ų1453.5 Ų53.58%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-89.2106.6172.1-173.1-8.8000109.8R111 R267 R271R111-D122 HydrophobicContact CB-CB 4.09Å; R111-D122 PolarHBondContact O-N 2.78Å; D122-R267 IonicContact OD1-NH1 2.77Å; D122-R267 PolarHBondContact OD1-NH1 3.19Å; D122-R267 IonicContact OD2-CZ 2.68Å; D122-R267 IonicContact OD2-NH1 3.42Å; D122-R267 PolarHBondContact OD2-NH1 3.04Å; D122-R267 IonicContact OD2-NH2 3.96Å; D122-R271 VanDerWaalsContact C-NH2 3.32Å; D122-R271 VanDerWaalsContact CG-NH2 3.34Å; D122-R271 PolarHBondContact O-NH2 3.44Å; D122-R271 IonicContact OD1-CZ 3.87Å; D122-R271 IonicContact OD1-NE 3.38Å; D122-R271 PolarHBondContact OD1-NE 3.12Å; D122-R271 IonicContact OD1-NH2 2.8Å; D122-R271 PolarHBondContact OD1-NH2 2.72Å; D122-R271 IonicContact OD2-NE 2.77Å; D122-R271 IonicContact OD2-NH2 3.89Å
123L94.4Very high95.6Very high7 Ų756.9 Ų56.94%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-120.6154.8-175.5-63.1-179.5000112.6L110 L121 V272 I274L110-L123 HydrophobicContact CD2-CD2 4.34Å; L121-L123 HydrophobicContact CB-CD1 4.48Å; L121-L123 HydrophobicContact CB-CD2 4.5Å; L121-L123 HydrophobicContact CB-CG 4.15Å; L123-V272 HydrophobicContact CB-CG1 4.13Å; L123-V272 PolarHBondContact N-O 3.46Å; L123-V272 PolarHBondContact O-N 3.45Å; L123-I274 HydrophobicContact CD1-CB 4.32Å; L123-I274 HydrophobicContact CD1-CG1 3.92Å
124P93.4Very high95.5Very high38 Ų3859.4 Ų59.425%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-61.1140.7167.2-17.831.4000110.8Y126 A235P124-Y126 HydrophobicContact CB-CE1 4.08Å; P124-Y126 HydrophobicContact CB-CE2 4.05Å; P124-A235 WeakPolarHBondContact O-CB 3.47Å
125L96.2Very high95.4Very high38 Ų3859.5 Ų59.520%0.19931%0.313CS..  trans-86.6130.5167.7-174.472.8000108.4A235 L266 G270 V272L125-A235 WeakPolarHBondContact CD1-O 3.33Å; L125-L266 HydrophobicContact CD1-CD2 4.48Å; L125-L266 HydrophobicContact CD1-CG 4.3Å; L125-L266 HydrophobicContact CD2-CD2 4.12Å; L125-L266 HydrophobicContact CD2-CG 4.42Å; L125-G270 VanDerWaalsContact CB-O 3.25Å; L125-G270 WeakPolarHBondContact CB-O 3.43Å; L125-V272 HydrophobicContact CB-CB 4.38Å; L125-V272 HydrophobicContact CB-CG1 4.43Å; L125-V272 HydrophobicContact CD1-CB 3.91Å; L125-V272 HydrophobicContact CD1-CG1 4.21Å; L125-V272 HydrophobicContact CD1-CG2 4.41Å
126Y96.2Very high95.6Very high50 Ų5058 Ų5820%0.19630%0.3CS..  trans-111.3114.1-179.5-65.5-66.7000110.1P124 D157 T158 A235 V236 S239P124-Y126 HydrophobicContact CB-CE1 4.08Å; P124-Y126 HydrophobicContact CB-CE2 4.05Å; Y126-D157 HydrophobicContact CD1-CB 3.6Å; Y126-D157 HydrophobicContact CE1-CB 3.96Å; Y126-T158 HydrophobicContact CD1-CG2 3.9Å; Y126-T158 HydrophobicContact CD2-CG2 3.38Å; Y126-T158 HydrophobicContact CE1-CG2 4.2Å; Y126-T158 HydrophobicContact CE2-CG2 3.74Å; Y126-T158 HydrophobicContact CG-CG2 3.47Å; Y126-T158 VanDerWaalsContact CG-CG2 3.47Å; Y126-A235 HydrophobicContact CD2-CB 3.7Å; Y126-A235 HydrophobicContact CE2-CB 4.26Å; Y126-A235 PolarHBondContact N-O 3.4Å; Y126-V236 WeakPolarHBondContact O-CA 3.31Å; Y126-S239 WeakPolarHBondContact O-CB 3.46Å
127P96.8Very high96.1Very high52 Ų5251 Ų5134%0.33827%0.267SS..  trans-59.4147.1171.8-23.334.8000112.1S155P127-S155 WeakPolarHBondContact O-CB 3.44Å; P127-S155 PolarHBondContact O-OG 2.71Å
128A96.6Very high96.7Very high12 Ų1251 Ų5110%0.09927%0.268CS..  trans-116.5140.9164.700000108C153 Y154 V236A128-C153 HydrophobicContact CB-CB 3.74Å; A128-Y154 WeakPolarHBondContact CA-O 3.38Å; A128-V236 HydrophobicContact CB-CG1 3.84Å
129H97.8Very high96.8Very high101 Ų10150.8 Ų50.847%0.46826%0.264SS..EExtended strand (participates in β ladder)trans-115148.7-178.6-57.7-67.3000110Q131 C153 Y154H129-Q131 PolarHBondContact O-N 2.75Å; H129-C153 CarbonylContact O-C 3.4Å; H129-C153 WeakPolarHBondContact O-CA 3.17Å; H129-C153 WeakPolarHBondContact O-CB 3.4Å; H129-Y154 PolarHBondContact N-O 3.06Å; H129-Y154 PolarHBondContact O-N 2.98Å
130P98.3Very high96.8Very high116 Ų11651 Ų5175%0.75327%0.265SS*.EExtended strand (participates in β ladder)trans-50.7135.7175.3-27.435.3000111.8
131Q98.1Very high96.8Very high24 Ų2454.6 Ų54.611%0.11228%0.279CS..  trans-119.3128.7180169.860.474.800108.8H129 F133 E135 V136 I152 L161H129-Q131 PolarHBondContact O-N 2.75Å; Q131-F133 PolarHBondContact O-N 2.87Å; Q131-E135 PolarHBondContact NE2-OE2 2.85Å; Q131-V136 HydrophobicContact CG-CG1 4.03Å; Q131-V136 HydrophobicContact CG-CG2 4.02Å; Q131-I152 HydrophobicContact CB-CG2 3.98Å; Q131-I152 HydrophobicContact CG-CG2 4.07Å; Q131-I152 PolarHBondContact N-O 3.39Å; Q131-L161 HydrophobicContact CB-CD1 4.48Å; Q131-L161 HydrophobicContact CG-CD1 3.98Å
132D97.2Very high96.8Very high85 Ų8556.3 Ų56.346%0.45529%0.29SS..  trans-60.4127.6174.6-169.4-24.4000109.5H134 E135D132-H134 VanDerWaalsContact C-N 3.3Å; D132-H134 PolarHBondContact O-N 2.86Å; D132-H134 IonicContact OD1-CG 2.6Å; D132-H134 PolarHBondContact OD1-N 2.86Å; D132-H134 IonicContact OD1-ND1 3.73Å; D132-H134 PolarHBondContact OD1-ND1 2.75Å; D132-E135 HydrophobicContact CB-CG 4.23Å; D132-E135 PolarHBondContact O-N 2.82Å
133F95.6Very high96.9Very high70 Ų7055.8 Ų55.831%0.30729%0.287SS..G310 helixtrans-58.3-41.3179.5176.6-120.7000111.9Q131 E135 V136 E137 I140 I152Q131-F133 PolarHBondContact O-N 2.87Å; F133-E135 PolarHBondContact O-N 2.83Å; F133-V136 CarbonylContact O-C 3.41Å; F133-V136 PolarHBondContact O-N 2.96Å; F133-E137 HydrophobicContact CD1-CB 4.45Å; F133-E137 HydrophobicContact CE1-CB 4.14Å; F133-E137 HydrophobicContact CE1-CG 3.76Å; F133-E137 HydrophobicContact CE2-CB 4.28Å; F133-E137 HydrophobicContact CE2-CG 4.3Å; F133-E137 HydrophobicContact CZ-CB 4.09Å; F133-E137 HydrophobicContact CZ-CG 3.67Å; F133-E137 WeakPolarHBondContact O-CA 3.3Å; F133-E137 WeakPolarHBondContact O-CB 3.28Å; F133-E137 PolarHBondContact O-N 3.35Å; F133-I140 HydrophobicContact CD2-CD1 3.99Å; F133-I140 HydrophobicContact CE2-CB 4.32Å; F133-I140 HydrophobicContact CE2-CD1 4.07Å; F133-I140 HydrophobicContact CE2-CG2 4.26Å; F133-I152 HydrophobicContact CB-CD1 3.81Å; F133-I152 HydrophobicContact CD2-CD1 3.3Å; F133-I152 HydrophobicContact CE2-CD1 4.22Å; F133-I152 HydrophobicContact CG-CD1 3.97Å
134H95.9Very high97.1Very high140 Ų14055.9 Ų55.965%0.64829%0.288SS*.G310 helixtrans-63.4-27.7-174.7-60.593.3000112.5D132 V136D132-H134 VanDerWaalsContact C-N 3.3Å; D132-H134 PolarHBondContact O-N 2.86Å; D132-H134 IonicContact OD1-CG 2.6Å; D132-H134 PolarHBondContact OD1-N 2.86Å; D132-H134 IonicContact OD1-ND1 3.73Å; D132-H134 PolarHBondContact OD1-ND1 2.75Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.38Å
135E96.3Very high97.2Very high126 Ų12655.7 Ų55.759%0.58929%0.293SS*.G310 helixtrans-74.1-19177.1-66.4-175.3-173.100113.6Q131 D132 F133 K192Q131-E135 PolarHBondContact NE2-OE2 2.85Å; D132-E135 HydrophobicContact CB-CG 4.23Å; D132-E135 PolarHBondContact O-N 2.82Å; F133-E135 PolarHBondContact O-N 2.83Å; E135-K192 IonicContact OE2-NZ 3.03Å; E135-K192 PolarHBondContact OE2-NZ 3.08Å
136V97.1Very high97.2Very high3 Ų360.9 Ų60.92%0.01832%0.321CS..THydrogen-bonded Turntrans-128.912.2-175.9-62.80000112.3Q131 F133 H134 D138 L139 I140 I152 L161Q131-V136 HydrophobicContact CG-CG1 4.03Å; Q131-V136 HydrophobicContact CG-CG2 4.02Å; F133-V136 CarbonylContact O-C 3.41Å; F133-V136 PolarHBondContact O-N 2.96Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.38Å; V136-D138 PolarHBondContact O-N 3.45Å; V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.8Å; V136-I140 HydrophobicContact CG2-CD1 3.72Å; V136-I140 HydrophobicContact CG2-CG1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.34Å; V136-I140 PolarHBondContact O-N 3.26Å; V136-I152 HydrophobicContact CG2-CG2 4.09Å; V136-L161 HydrophobicContact CB-CD2 4.12Å; V136-L161 HydrophobicContact CG1-CD1 4.24Å; V136-L161 HydrophobicContact CG1-CD2 4.27Å; V136-L161 HydrophobicContact CG2-CD1 4.41Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å
137E97.1Very high97.3Very high48 Ų4859.6 Ų59.622%0.22432%0.318CS..Hα-helixtrans-61.1-48.2-172.1173.6169.3-166.400111.1F133 L139 I140 K141F133-E137 HydrophobicContact CD1-CB 4.45Å; F133-E137 HydrophobicContact CE1-CB 4.14Å; F133-E137 HydrophobicContact CE1-CG 3.76Å; F133-E137 HydrophobicContact CE2-CB 4.28Å; F133-E137 HydrophobicContact CE2-CG 4.3Å; F133-E137 HydrophobicContact CZ-CB 4.09Å; F133-E137 HydrophobicContact CZ-CG 3.67Å; F133-E137 WeakPolarHBondContact O-CA 3.3Å; F133-E137 WeakPolarHBondContact O-CB 3.28Å; F133-E137 PolarHBondContact O-N 3.35Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.11Å; E137-I140 PolarHBondContact O-N 3.45Å; E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.36Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 3.61Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å
138D97.3Very high97.4Very high118 Ų11861.8 Ų61.863%0.63133%0.326SS*.Hα-helixtrans-61.3-38.9178.8-71.4-25.1000111.5V136 T142 V187V136-D138 PolarHBondContact O-N 3.45Å; D138-T142 WeakPolarHBondContact O-CB 3.42Å; D138-T142 PolarHBondContact O-N 3.35Å; D138-T142 PolarHBondContact O-OG1 2.91Å; D138-V187 HydrophobicContact CB-CG1 3.73Å
139L98Very high97.5Very high5 Ų563.4 Ų63.43%0.02634%0.335CS..Hα-helixtrans-65-46.9177.9178.661.2000111.1V136 E137 T142 A143 L161 L184 V187 E188 V193 W221V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.8Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.11Å; L139-T142 PolarHBondContact O-N 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 2.9Å; L139-L161 HydrophobicContact CD2-CD2 3.84Å; L139-L184 HydrophobicContact CD1-CB 4.15Å; L139-L184 HydrophobicContact CD1-CD2 3.67Å; L139-L184 HydrophobicContact CD1-CG 4.39Å; L139-V187 HydrophobicContact CB-CG1 4.22Å; L139-E188 HydrophobicContact CD1-CB 3.93Å; L139-E188 HydrophobicContact CD2-CB 4.14Å; L139-E188 HydrophobicContact CD2-CG 4.35Å; L139-V193 HydrophobicContact CD2-CB 4.25Å; L139-V193 HydrophobicContact CD2-CG1 4.29Å; L139-V193 HydrophobicContact CD2-CG2 4.17Å; L139-W221 HydrophobicContact CD1-CH2 4.2Å; L139-W221 HydrophobicContact CD1-CZ2 3.94Å; L139-W221 HydrophobicContact CD2-CH2 4.5Å; L139-W221 HydrophobicContact CD2-CZ2 4.45Å
140I98.2Very high97.5Very high5 Ų563.4 Ų63.43%0.02634%0.335CS..Hα-helixtrans-66.2-48179.6-67.8175.6000110.5F133 V136 E137 T142 A143 I144 V149 I152 L161 V163F133-I140 HydrophobicContact CD2-CD1 3.99Å; F133-I140 HydrophobicContact CE2-CB 4.32Å; F133-I140 HydrophobicContact CE2-CD1 4.07Å; F133-I140 HydrophobicContact CE2-CG2 4.26Å; V136-I140 HydrophobicContact CG2-CD1 3.72Å; V136-I140 HydrophobicContact CG2-CG1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.34Å; V136-I140 PolarHBondContact O-N 3.26Å; E137-I140 PolarHBondContact O-N 3.45Å; I140-T142 VanDerWaalsContact C-N 3.28Å; I140-T142 PolarHBondContact O-N 3.15Å; I140-A143 PolarHBondContact O-N 2.8Å; I140-A143 VanDerWaalsContact O-N 3.14Å; I140-I144 HydrophobicContact CG2-CD1 3.88Å; I140-I144 HydrophobicContact CG2-CG1 3.86Å; I140-I144 VanDerWaalsContact O-CG1 3.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.33Å; I140-I144 PolarHBondContact O-N 2.86Å; I140-V149 HydrophobicContact CG2-CG2 4.09Å; I140-I152 HydrophobicContact CD1-CD1 3.45Å; I140-I152 VanDerWaalsContact CD1-CD1 3.45Å; I140-I152 HydrophobicContact CD1-CG1 3.98Å; I140-I152 HydrophobicContact CD1-CG2 4.14Å; I140-L161 HydrophobicContact CG1-CD2 4.35Å; I140-V163 HydrophobicContact CD1-CG2 3.96Å; I140-V163 HydrophobicContact CG1-CG2 4.03Å
141K98.1Very high97.4Very high92 Ų9260 Ų6040%0.431%0.31SS..Hα-helixtrans-62.3-37.1178.5-77.2-177.9169.6173.30112.1E137 G145E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.36Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 3.61Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å; K141-G145 WeakPolarHBondContact O-CA 3.48Å; K141-G145 PolarHBondContact O-N 3.3Å
142T98.3Very high97.5Very high38 Ų3859.4 Ų59.423%0.23331%0.308CS..Hα-helixtrans-64.9-44.5174.3-62.10000110.9D138 L139 I140 N180 N183 L184 V187D138-T142 WeakPolarHBondContact O-CB 3.42Å; D138-T142 PolarHBondContact O-N 3.35Å; D138-T142 PolarHBondContact O-OG1 2.91Å; L139-T142 PolarHBondContact O-N 3.25Å; I140-T142 VanDerWaalsContact C-N 3.28Å; I140-T142 PolarHBondContact O-N 3.15Å; T142-N180 WeakPolarHBondContact O-CB 3.25Å; T142-N183 HydrophobicContact CG2-CB 3.59Å; T142-L184 HydrophobicContact CG2-CD2 4.03Å; T142-V187 HydrophobicContact CG2-CG2 4.08Å
143A98.2Very high97.5Very high3 Ų355.6 Ų55.63%0.02529%0.288CS..Hα-helixtrans-68-49.6-177.600000113L139 I140 V179 N180 L184 L196L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 2.9Å; I140-A143 PolarHBondContact O-N 2.8Å; I140-A143 VanDerWaalsContact O-N 3.14Å; A143-V179 HydrophobicContact CB-CG1 4.24Å; A143-V179 WeakPolarHBondContact O-CA 3.19Å; A143-N180 PolarHBondContact O-N 3.1Å; A143-N180 VanDerWaalsContact O-N 3.13Å; A143-L184 HydrophobicContact CB-CD2 3.69Å; A143-L196 HydrophobicContact CB-CD2 3.6Å
144I98.2Very high97.7Very high9 Ų954 Ų545%0.04628%0.28CS..Hα-helixtrans-130.510.9-165.262.8170.4000114I140 N146 T147 V149 V163 L165 L177 V179 L198I140-I144 HydrophobicContact CG2-CD1 3.88Å; I140-I144 HydrophobicContact CG2-CG1 3.86Å; I140-I144 VanDerWaalsContact O-CG1 3.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.33Å; I140-I144 PolarHBondContact O-N 2.86Å; I144-N146 PolarHBondContact O-N 3.45Å; I144-T147 HydrophobicContact CD1-CG2 4.33Å; I144-T147 VanDerWaalsContact O-CB 3.26Å; I144-T147 WeakPolarHBondContact O-CB 3.32Å; I144-T147 PolarHBondContact O-N 3Å; I144-T147 PolarHBondContact O-OG1 2.89Å; I144-V149 HydrophobicContact CD1-CG2 3.97Å; I144-V163 HydrophobicContact CD1-CG1 4.21Å; I144-L165 HydrophobicContact CD1-CD2 3.65Å; I144-L177 HydrophobicContact CB-CD2 4.36Å; I144-L177 HydrophobicContact CG2-CD2 3.83Å; I144-L177 HydrophobicContact CG2-CG 4.49Å; I144-V179 HydrophobicContact CG2-CG2 4.25Å; I144-L198 HydrophobicContact CG2-CD1 3.65Å; I144-L198 HydrophobicContact CG2-CD2 4.14Å
145G96.5Very high97.8Very high34 Ų3447.3 Ų47.335%0.35125%0.249SC..THydrogen-bonded Turntrans60.4-135.3178.600000112.6K141 T147K141-G145 WeakPolarHBondContact O-CA 3.48Å; K141-G145 PolarHBondContact O-N 3.3Å; G145-T147 VanDerWaalsContact C-N 3.26Å; G145-T147 PolarHBondContact O-N 3.33Å
146N95.9Very high97.8Very high148 Ų14844.4 Ų44.479%0.79124%0.241SC*.THydrogen-bonded Turntrans-90.222.1178.9-62-37.7000113.1I144 L148I144-N146 PolarHBondContact O-N 3.45Å; N146-L148 PolarHBondContact O-N 2.95Å
147T98.3Very high97.7Very high22 Ų2249.7 Ų49.714%0.13527%0.269CS..PPolyproline II helixtrans-58.8132175.1-620000109.5I144 G145 V149 L165 Y169 F173I144-T147 HydrophobicContact CD1-CG2 4.33Å; I144-T147 VanDerWaalsContact O-CB 3.26Å; I144-T147 WeakPolarHBondContact O-CB 3.32Å; I144-T147 PolarHBondContact O-N 3Å; I144-T147 PolarHBondContact O-OG1 2.89Å; G145-T147 VanDerWaalsContact C-N 3.26Å; G145-T147 PolarHBondContact O-N 3.33Å; T147-V149 PolarHBondContact O-N 3.49Å; T147-L165 HydrophobicContact CG2-CD1 4.38Å; T147-L165 HydrophobicContact CG2-CD2 4.01Å; T147-Y169 HydrophobicContact CG2-CD2 4.38Å; T147-Y169 HydrophobicContact CG2-CE2 3.65Å; T147-F173 HydrophobicContact CG2-CE1 3.73Å; T147-F173 HydrophobicContact CG2-CZ 3.79Å
148L98.2Very high97.5Very high99 Ų9948.6 Ų48.652%0.51827%0.266SS..PPolyproline II helixtrans-69.1125.6-176.7-62.2176.3000111.1N146 S166 V168 Y169N146-L148 PolarHBondContact O-N 2.95Å; L148-S166 WeakPolarHBondContact O-CB 3.43Å; L148-S166 PolarHBondContact O-N 2.59Å; L148-V168 HydrophobicContact CD1-CG2 4.46Å; L148-Y169 HydrophobicContact CB-CE2 3.92Å; L148-Y169 PolarHBondContact N-OH 2.57Å; L148-Y169 VanDerWaalsContact N-OH 3.1Å; L148-Y169 WeakPolarHBondContact O-CE2 3.24Å
149V98.3Very high97.5Very high46 Ų4645.5 Ų45.528%0.27925%0.248SC..EExtended strand (participates in β ladder)trans-102.9137.7178.6176.20000109.4I140 I144 T147 D151 I152 V163 R164I140-V149 HydrophobicContact CG2-CG2 4.09Å; I144-V149 HydrophobicContact CD1-CG2 3.97Å; T147-V149 PolarHBondContact O-N 3.49Å; V149-D151 WeakPolarHBondContact CG1-O 3.46Å; V149-I152 HydrophobicContact CG1-CD1 4.04Å; V149-I152 HydrophobicContact CG1-CG1 3.54Å; V149-V163 HydrophobicContact CB-CG1 4.34Å; V149-V163 HydrophobicContact CG1-CG1 3.71Å; V149-V163 HydrophobicContact CG2-CG1 3.64Å; V149-R164 WeakPolarHBondContact CG1-O 2.83Å
150Q97.9Very high97.5Very high100 Ų10045.5 Ų45.547%0.46725%0.248SC..EExtended strand (participates in β ladder)trans-92.8-40.6177.6-174.658.871.100112.4R164Q150-R164 HydrophobicContact CB-CB 4.48Å; Q150-R164 HydrophobicContact CB-CG 4.06Å; Q150-R164 PolarHBondContact N-O 3.29Å
151D97.7Very high97.6Very high44 Ų4445.3 Ų45.324%0.23525%0.247CC..EExtended strand (participates in β ladder)trans-159.7151.9-173.7-169.914000110.4V149 R164 Y240 H244V149-D151 WeakPolarHBondContact CG1-O 3.46Å; D151-R164 HydrophobicContact CB-CB 4.11Å; D151-R164 PolarHBondContact N-O 3.15Å; D151-R164 PolarHBondContact O-N 3.3Å; D151-Y240 WeakPolarHBondContact CB-OH 3.48Å; D151-Y240 WeakPolarHBondContact OD2-CE2 3.25Å; D151-Y240 PolarHBondContact OD2-OH 2.88Å; D151-H244 IonicContact OD2-CE1 2.79Å; D151-H244 IonicContact OD2-NE2 2.78Å
152I98.6Very high97.6Very high13 Ų1340.9 Ų40.97%0.06723%0.227CC..EExtended strand (participates in β ladder)trans-136.3123.6-178.5-52.9165.7000107.8Q131 F133 V136 I140 V149 L161 L162Q131-I152 HydrophobicContact CB-CG2 3.98Å; Q131-I152 HydrophobicContact CG-CG2 4.07Å; Q131-I152 PolarHBondContact N-O 3.39Å; F133-I152 HydrophobicContact CB-CD1 3.81Å; F133-I152 HydrophobicContact CD2-CD1 3.3Å; F133-I152 HydrophobicContact CE2-CD1 4.22Å; F133-I152 HydrophobicContact CG-CD1 3.97Å; V136-I152 HydrophobicContact CG2-CG2 4.09Å; I140-I152 HydrophobicContact CD1-CD1 3.45Å; I140-I152 VanDerWaalsContact CD1-CD1 3.45Å; I140-I152 HydrophobicContact CD1-CG1 3.98Å; I140-I152 HydrophobicContact CD1-CG2 4.14Å; V149-I152 HydrophobicContact CG1-CD1 4.04Å; V149-I152 HydrophobicContact CG1-CG1 3.54Å; I152-L161 HydrophobicContact CG2-CD1 3.75Å; I152-L161 HydrophobicContact CG2-CG 4.44Å; I152-L162 WeakPolarHBondContact CA-O 3.39Å
153C98.7Very high97.6Very high5 Ų539.1 Ų39.13%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-130.2154.3178.7-69.30000110.6A128 H129 L162 Y240A128-C153 HydrophobicContact CB-CB 3.74Å; H129-C153 CarbonylContact O-C 3.4Å; H129-C153 WeakPolarHBondContact O-CA 3.17Å; H129-C153 WeakPolarHBondContact O-CB 3.4Å; C153-L162 HydrophobicContact CB-CB 4.36Å; C153-L162 PolarHBondContact N-O 3.46Å; C153-L162 PolarHBondContact O-N 3.23Å; C153-Y240 HydrophobicContact CB-CD2 4.47Å
154Y98.6Very high97.6Very high35 Ų3540.2 Ų40.214%0.13722%0.22CC..EExtended strand (participates in β ladder)trans-127.8134.8176.5176.9-107.8000110.4A128 H129 P156 Q159 K160 K192 V193A128-Y154 WeakPolarHBondContact CA-O 3.38Å; H129-Y154 PolarHBondContact N-O 3.06Å; H129-Y154 PolarHBondContact O-N 2.98Å; Y154-P156 HydrophobicContact CD1-CB 4.47Å; Y154-P156 HydrophobicContact CE1-CB 3.91Å; Y154-Q159 WeakPolarHBondContact OH-CA 3.5Å; Y154-K160 WeakPolarHBondContact CD2-O 2.93Å; Y154-K192 HydrophobicContact CE2-CG 4.39Å; Y154-K192 PolarHBondContact OH-O 2.66Å; Y154-V193 HydrophobicContact CD2-CG2 4.44Å; Y154-V193 HydrophobicContact CE2-CG2 4.22Å
155S98.3Very high97.7Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-105105174.3179.70000109.4P127 D157 T158 Q159 K160P127-S155 WeakPolarHBondContact O-CB 3.44Å; P127-S155 PolarHBondContact O-OG 2.71Å; S155-D157 VanDerWaalsContact C-N 3.35Å; S155-D157 PolarHBondContact O-N 2.88Å; S155-T158 VanDerWaalsContact CB-OG1 3.31Å; S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 3.19Å; S155-T158 PolarHBondContact OG-OG1 3.18Å; S155-T158 VanDerWaalsContact OG-OG1 3.07Å; S155-Q159 WeakPolarHBondContact O-CA 3.35Å; S155-Q159 PolarHBondContact O-N 3.05Å; S155-K160 PolarHBondContact N-O 2.74Å; S155-K160 PolarHBondContact O-N 3.42Å
156P96.4Very high97.7Very high65 Ų6539 Ų3942%0.42221%0.207SC..THydrogen-bonded Turntrans-64.7-37-176.124.8-33.1000112.8Y154 T158 Q159Y154-P156 HydrophobicContact CD1-CB 4.47Å; Y154-P156 HydrophobicContact CE1-CB 3.91Å; P156-T158 PolarHBondContact O-N 2.91Å; P156-Q159 PolarHBondContact O-N 3.03Å
157D94.1Very high97.7Very high114 Ų11435.7 Ų35.761%0.6119%0.189SC*.THydrogen-bonded Turntrans-62.5-30.4-179.5-61.5-52.9000113Y126 S155Y126-D157 HydrophobicContact CD1-CB 3.6Å; Y126-D157 HydrophobicContact CE1-CB 3.96Å; S155-D157 VanDerWaalsContact C-N 3.35Å; S155-D157 PolarHBondContact O-N 2.88Å
158T94.5Very high97.7Very high25 Ų2539.8 Ų39.815%0.15321%0.214CC..THydrogen-bonded Turntrans-111.6-5.6-177.764.20000113.7Y126 S155 P156 K160 V236Y126-T158 HydrophobicContact CD1-CG2 3.9Å; Y126-T158 HydrophobicContact CD2-CG2 3.38Å; Y126-T158 HydrophobicContact CE1-CG2 4.2Å; Y126-T158 HydrophobicContact CE2-CG2 3.74Å; Y126-T158 HydrophobicContact CG-CG2 3.47Å; Y126-T158 VanDerWaalsContact CG-CG2 3.47Å; S155-T158 VanDerWaalsContact CB-OG1 3.31Å; S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 3.19Å; S155-T158 PolarHBondContact OG-OG1 3.18Å; S155-T158 VanDerWaalsContact OG-OG1 3.07Å; P156-T158 PolarHBondContact O-N 2.91Å; T158-K160 PolarHBondContact O-N 2.8Å; T158-K160 WeakPolarHBondContact OG1-CG 3.25Å; T158-V236 HydrophobicContact CG2-CG2 4.11Å; T158-V236 WeakPolarHBondContact OG1-CG2 3.34Å
159Q97.1Very high97.6Very high53 Ų5337.5 Ų37.525%0.24820%0.199CC..THydrogen-bonded Turntrans54.630.5-174.1-54.8-167.8-104.300113.6Y154 S155 P156 G191 K192 V193 K194 G195Y154-Q159 WeakPolarHBondContact OH-CA 3.5Å; S155-Q159 WeakPolarHBondContact O-CA 3.35Å; S155-Q159 PolarHBondContact O-N 3.05Å; P156-Q159 PolarHBondContact O-N 3.03Å; Q159-G191 PolarHBondContact NE2-O 2.8Å; Q159-K192 WeakPolarHBondContact CB-O 3.35Å; Q159-K192 PolarHBondContact NE2-O 3.5Å; Q159-V193 WeakPolarHBondContact O-CA 3.41Å; Q159-K194 HydrophobicContact CB-CB 4.09Å; Q159-K194 HydrophobicContact CB-CD 4.46Å; Q159-K194 HydrophobicContact CB-CG 4.17Å; Q159-K194 PolarHBondContact O-N 3.19Å; Q159-K194 VanDerWaalsContact OE1-CE 3.23Å; Q159-G195 PolarHBondContact O-N 3.06Å
160K98.3Very high97.4Very high6 Ų638.6 Ų38.63%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-99127.7-179-63.5-172-175.195.50110.9Y154 S155 T158 G195 I197 Y217 S232 A233 V236Y154-K160 WeakPolarHBondContact CD2-O 2.93Å; S155-K160 PolarHBondContact N-O 2.74Å; S155-K160 PolarHBondContact O-N 3.42Å; T158-K160 PolarHBondContact O-N 2.8Å; T158-K160 WeakPolarHBondContact OG1-CG 3.25Å; K160-G195 CarbonylContact C-O 3.6Å; K160-G195 WeakPolarHBondContact CA-O 3.05Å; K160-I197 HydrophobicContact CB-CD1 3.98Å; K160-I197 HydrophobicContact CB-CG1 4.47Å; K160-I197 HydrophobicContact CD-CD1 3.82Å; K160-I197 HydrophobicContact CD-CG1 4.28Å; K160-Y217 HydrophobicContact CD-CE2 3.64Å; K160-Y217 VanDerWaalsContact CE-OH 3.24Å; K160-Y217 WeakPolarHBondContact CE-OH 3.22Å; K160-Y217 HydrophobicContact CG-CE2 4.13Å; K160-S232 VanDerWaalsContact NZ-CB 3.29Å; K160-S232 PolarHBondContact NZ-O 3.21Å; K160-S232 PolarHBondContact NZ-OG 2.97Å; K160-A233 HydrophobicContact CD-CB 4.3Å; K160-V236 HydrophobicContact CD-CG2 4.3Å
161L98.7Very high97.3Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-88.5120.3167.8-174.169.4000108.8Q131 V136 L139 I140 I152 V163 V193 G195 L196 I197Q131-L161 HydrophobicContact CB-CD1 4.48Å; Q131-L161 HydrophobicContact CG-CD1 3.98Å; V136-L161 HydrophobicContact CB-CD2 4.12Å; V136-L161 HydrophobicContact CG1-CD1 4.24Å; V136-L161 HydrophobicContact CG1-CD2 4.27Å; V136-L161 HydrophobicContact CG2-CD1 4.41Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å; L139-L161 HydrophobicContact CD2-CD2 3.84Å; I140-L161 HydrophobicContact CG1-CD2 4.35Å; I152-L161 HydrophobicContact CG2-CD1 3.75Å; I152-L161 HydrophobicContact CG2-CG 4.44Å; L161-V163 HydrophobicContact CD2-CG2 4.25Å; L161-V163 HydrophobicContact CG-CG2 4.2Å; L161-V193 HydrophobicContact CB-CG1 3.72Å; L161-V193 HydrophobicContact CB-CG2 4.01Å; L161-G195 PolarHBondContact N-O 2.7Å; L161-L196 HydrophobicContact CB-CD1 4.47Å; L161-L196 HydrophobicContact CD2-CD1 4.19Å; L161-L196 HydrophobicContact CG-CD1 4.47Å; L161-I197 PolarHBondContact O-N 2.68Å
162L98.8Very high97.1Very high0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-100.1121174.5-177.2160.8000109.1I152 C153 R164 I197 T199 V236 L237 Y240I152-L162 WeakPolarHBondContact CA-O 3.39Å; C153-L162 HydrophobicContact CB-CB 4.36Å; C153-L162 PolarHBondContact N-O 3.46Å; C153-L162 PolarHBondContact O-N 3.23Å; L162-R164 HydrophobicContact CD2-CB 4.37Å; L162-I197 HydrophobicContact CB-CB 4.38Å; L162-I197 HydrophobicContact CB-CD1 4.48Å; L162-I197 HydrophobicContact CG-CB 4.47Å; L162-I197 HydrophobicContact CG-CG2 4.36Å; L162-T199 HydrophobicContact CD2-CG2 3.83Å; L162-T199 HydrophobicContact CG-CG2 4.18Å; L162-V236 HydrophobicContact CD1-CG1 4.3Å; L162-L237 HydrophobicContact CD1-CD2 3.78Å; L162-L237 HydrophobicContact CD1-CG 4.3Å; L162-L237 HydrophobicContact CG-CD2 4.42Å; L162-Y240 HydrophobicContact CD1-CD1 4.26Å; L162-Y240 HydrophobicContact CD1-CD2 4.3Å; L162-Y240 HydrophobicContact CD1-CG 3.86Å; L162-Y240 HydrophobicContact CD2-CD1 4.28Å; L162-Y240 HydrophobicContact CD2-CD2 4.15Å; L162-Y240 HydrophobicContact CD2-CE1 4.31Å; L162-Y240 HydrophobicContact CD2-CE2 4.15Å; L162-Y240 HydrophobicContact CD2-CG 4.22Å
163V98.8Very high97.1Very high1 Ų139.8 Ų39.81%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-115108.6175.7-176.30000107.8I140 I144 V149 L161 L165 L196 I197 L198 T199I140-V163 HydrophobicContact CD1-CG2 3.96Å; I140-V163 HydrophobicContact CG1-CG2 4.03Å; I144-V163 HydrophobicContact CD1-CG1 4.21Å; V149-V163 HydrophobicContact CB-CG1 4.34Å; V149-V163 HydrophobicContact CG1-CG1 3.71Å; V149-V163 HydrophobicContact CG2-CG1 3.64Å; L161-V163 HydrophobicContact CD2-CG2 4.25Å; L161-V163 HydrophobicContact CG-CG2 4.2Å; V163-L165 HydrophobicContact CG1-CD2 4.17Å; V163-L196 HydrophobicContact CG2-CD1 3.72Å; V163-I197 PolarHBondContact N-O 2.99Å; V163-L198 HydrophobicContact CB-CD2 3.91Å; V163-L198 HydrophobicContact CG1-CD2 4.39Å; V163-L198 HydrophobicContact CG2-CD2 4.47Å; V163-L198 WeakPolarHBondContact O-CA 3.37Å; V163-T199 PolarHBondContact O-N 2.7Å
164R98.7Very high97.1Very high25 Ų2539.6 Ų39.69%0.09421%0.209CC..EExtended strand (participates in β ladder)trans-83.9120.7171.7-179.7-175.2165.5-170-3.3108.3V149 Q150 D151 L162 D167 T199 Y240 W241V149-R164 WeakPolarHBondContact CG1-O 2.83Å; Q150-R164 HydrophobicContact CB-CB 4.48Å; Q150-R164 HydrophobicContact CB-CG 4.06Å; Q150-R164 PolarHBondContact N-O 3.29Å; D151-R164 HydrophobicContact CB-CB 4.11Å; D151-R164 PolarHBondContact N-O 3.15Å; D151-R164 PolarHBondContact O-N 3.3Å; L162-R164 HydrophobicContact CD2-CB 4.37Å; R164-D167 IonicContact CZ-OD1 3.92Å; R164-D167 IonicContact NE-OD1 2.92Å; R164-D167 VanDerWaalsContact NH2-CG 3.35Å; R164-D167 IonicContact NH2-OD1 3.72Å; R164-D167 PolarHBondContact NH2-OD1 2.95Å; R164-D167 IonicContact NH2-OD2 3.87Å; R164-D167 PolarHBondContact NH2-OD2 2.99Å; R164-D167 VanDerWaalsContact NH2-OD2 3.07Å; R164-T199 WeakPolarHBondContact CA-O 3.23Å; R164-T199 HydrophobicContact CB-CG2 3.99Å; R164-T199 HydrophobicContact CG-CG2 4.33Å; R164-Y240 HydrophobicContact CB-CE1 4.42Å; R164-Y240 WeakPolarHBondContact CD-OH 3.44Å; R164-W241 HydrophobicContact CG-CH2 4.14Å; R164-W241 HydrophobicContact CG-CZ2 4.26Å
165L98.7Very high97Very high0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-76.5159.1175.7-51.2-178.2000110.6I144 T147 V163 Y169 F173 L174 L177 T199 L200I144-L165 HydrophobicContact CD1-CD2 3.65Å; T147-L165 HydrophobicContact CG2-CD1 4.38Å; T147-L165 HydrophobicContact CG2-CD2 4.01Å; V163-L165 HydrophobicContact CG1-CD2 4.17Å; L165-Y169 HydrophobicContact CB-CD2 4.11Å; L165-F173 HydrophobicContact CD1-CD1 4.49Å; L165-F173 HydrophobicContact CD1-CE1 4.22Å; L165-L174 HydrophobicContact CD1-CD1 3.97Å; L165-L177 HydrophobicContact CD1-CD2 4.04Å; L165-T199 PolarHBondContact N-O 2.85Å; L165-L200 HydrophobicContact CB-CD2 3.57Å; L165-L200 HydrophobicContact CB-CG 4.06Å; L165-L200 HydrophobicContact CD1-CG 4.35Å
166S98Very high97Very high17 Ų1746.7 Ų46.712%0.11925%0.247CC..PPolyproline II helixtrans-59.5141.9178.2-177.90000112.6L148 V168 Y169 L200L148-S166 WeakPolarHBondContact O-CB 3.43Å; L148-S166 PolarHBondContact O-N 2.59Å; S166-V168 PolarHBondContact O-N 3.48Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å; S166-Y169 PolarHBondContact O-N 3.07Å; S166-L200 WeakPolarHBondContact O-CD2 3.35Å
167D95.8Very high97.1Very high79 Ų7944.6 Ų44.642%0.42223%0.233SC..THydrogen-bonded Turntrans-65.8-3.8179-69.50.9000113.1R164 Y169R164-D167 IonicContact CZ-OD1 3.92Å; R164-D167 IonicContact NE-OD1 2.92Å; R164-D167 VanDerWaalsContact NH2-CG 3.35Å; R164-D167 IonicContact NH2-OD1 3.72Å; R164-D167 PolarHBondContact NH2-OD1 2.95Å; R164-D167 IonicContact NH2-OD2 3.87Å; R164-D167 PolarHBondContact NH2-OD2 2.99Å; R164-D167 VanDerWaalsContact NH2-OD2 3.07Å; D167-Y169 PolarHBondContact O-N 3.28Å
168V96.6Very high97.2Very high109 Ų10948.1 Ų48.166%0.66124%0.242SC*.THydrogen-bonded Turntrans-69.5-18.7168.9-56.60000112.7L148 S166L148-V168 HydrophobicContact CD1-CG2 4.46Å; S166-V168 PolarHBondContact O-N 3.48Å
169Y96.6Very high97.4Very high51 Ų5148 Ų4820%0.224%0.241CC..  trans-96.2152178.6-55.1-58.1000111.3T147 L148 L165 S166 D167 F173T147-Y169 HydrophobicContact CG2-CD2 4.38Å; T147-Y169 HydrophobicContact CG2-CE2 3.65Å; L148-Y169 HydrophobicContact CB-CE2 3.92Å; L148-Y169 PolarHBondContact N-OH 2.57Å; L148-Y169 VanDerWaalsContact N-OH 3.1Å; L148-Y169 WeakPolarHBondContact O-CE2 3.24Å; L165-Y169 HydrophobicContact CB-CD2 4.11Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å; S166-Y169 PolarHBondContact O-N 3.07Å; D167-Y169 PolarHBondContact O-N 3.28Å; Y169-F173 HydrophobicContact CD1-CB 4.32Å; Y169-F173 AromaticContact CD1-CD1 3.66Å; Y169-F173 HydrophobicContact CD1-CD1 3.66Å; Y169-F173 AromaticContact CD1-CD2 3.58Å; Y169-F173 HydrophobicContact CD1-CD2 3.58Å; Y169-F173 AromaticContact CD1-CE1 3.77Å; Y169-F173 HydrophobicContact CD1-CE1 3.77Å; Y169-F173 AromaticContact CD1-CE2 3.7Å; Y169-F173 HydrophobicContact CD1-CE2 3.7Å; Y169-F173 AromaticContact CD1-CG 3.56Å; Y169-F173 HydrophobicContact CD1-CG 3.56Å; Y169-F173 AromaticContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD2-CD1 4.14Å; Y169-F173 AromaticContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CZ 4.47Å; Y169-F173 HydrophobicContact CE1-CD1 4.34Å; Y169-F173 AromaticContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CE1 4Å; Y169-F173 AromaticContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CG 4.33Å; Y169-F173 AromaticContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.16Å; Y169-F173 HydrophobicContact CE2-CZ 4.32Å; Y169-F173 HydrophobicContact CG-CB 4.49Å; Y169-F173 AromaticContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD2 4.32Å; Y169-F173 AromaticContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE2 4.49Å; Y169-F173 AromaticContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CZ 4.22Å; Y169-F173 AromaticContact CZ-CZ 3.9Å
170N94.5Very high97.4Very high69 Ų6948 Ų4837%0.36924%0.243SC..  trans-117.6-178.9179.362.318.9000111.6S172 F173 L174 L200 E203N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.45Å; N170-S172 PolarHBondContact OD1-N 2.82Å; N170-F173 WeakPolarHBondContact O-CB 3.42Å; N170-F173 PolarHBondContact O-N 3.42Å; N170-F173 VanDerWaalsContact O-N 3.1Å; N170-F173 PolarHBondContact OD1-N 2.81Å; N170-L174 PolarHBondContact O-N 2.86Å; N170-L200 VanDerWaalsContact O-CD1 3.25Å; N170-L200 WeakPolarHBondContact O-CD1 3.47Å; N170-E203 WeakPolarHBondContact CB-OE1 3.49Å
171R95.1Very high97.2Very high58 Ų5849 Ų4922%0.21925%0.25CS..Hα-helixtrans-50.9-46.6176.9179.6-176.6170.11388.8112.7F173 L174 E175 E203 Y214 F253R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 PolarHBondContact O-N 3.34Å; R171-L174 PolarHBondContact O-N 3.11Å; R171-L174 VanDerWaalsContact O-N 3.14Å; R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 3.07Å; R171-E175 VanDerWaalsContact CZ-OE1 3.29Å; R171-E175 IonicContact NE-OE1 3.66Å; R171-E175 PolarHBondContact NE-OE1 2.51Å; R171-E175 IonicContact NE-OE2 2.72Å; R171-E175 IonicContact NH2-OE1 2.84Å; R171-E175 PolarHBondContact NH2-OE1 2.83Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.22Å; R171-E203 PolarHBondContact N-OE2 2.82Å; R171-Y214 HydrophobicContact CB-CD1 4.43Å; R171-Y214 HydrophobicContact CB-CD2 4.09Å; R171-Y214 HydrophobicContact CB-CE1 4.23Å; R171-Y214 HydrophobicContact CB-CE2 3.81Å; R171-Y214 HydrophobicContact CB-CG 4.39Å; R171-Y214 HydrophobicContact CG-CD1 4.06Å; R171-Y214 HydrophobicContact CG-CE1 3.96Å; R171-Y214 HydrophobicContact CG-CE2 4.42Å; R171-Y214 HydrophobicContact CG-CG 4.39Å; R171-F253 VanDerWaalsContact NH2-CZ 3.28Å
172S95.4Very high96.8Very high64 Ų6456.6 Ų56.645%0.44829%0.286SS..Hα-helixtrans-60.8-37.5-178.2-1780000111.8N170 N176N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.45Å; N170-S172 PolarHBondContact OD1-N 2.82Å; S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.32Å; S172-N176 PolarHBondContact O-ND2 3.44Å
173F97.7Very high96.6Very high60 Ų6059.7 Ų59.726%0.26330%0.302SS..Hα-helixtrans-62.4-49.1174.5178.5-90.5000111.2T147 L165 Y169 N170 R171 E175 N176 L177T147-F173 HydrophobicContact CG2-CE1 3.73Å; T147-F173 HydrophobicContact CG2-CZ 3.79Å; L165-F173 HydrophobicContact CD1-CD1 4.49Å; L165-F173 HydrophobicContact CD1-CE1 4.22Å; Y169-F173 HydrophobicContact CD1-CB 4.32Å; Y169-F173 AromaticContact CD1-CD1 3.66Å; Y169-F173 HydrophobicContact CD1-CD1 3.66Å; Y169-F173 AromaticContact CD1-CD2 3.58Å; Y169-F173 HydrophobicContact CD1-CD2 3.58Å; Y169-F173 AromaticContact CD1-CE1 3.77Å; Y169-F173 HydrophobicContact CD1-CE1 3.77Å; Y169-F173 AromaticContact CD1-CE2 3.7Å; Y169-F173 HydrophobicContact CD1-CE2 3.7Å; Y169-F173 AromaticContact CD1-CG 3.56Å; Y169-F173 HydrophobicContact CD1-CG 3.56Å; Y169-F173 AromaticContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD2-CD1 4.14Å; Y169-F173 AromaticContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CZ 4.47Å; Y169-F173 HydrophobicContact CE1-CD1 4.34Å; Y169-F173 AromaticContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CE1 4Å; Y169-F173 AromaticContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CG 4.33Å; Y169-F173 AromaticContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.16Å; Y169-F173 HydrophobicContact CE2-CZ 4.32Å; Y169-F173 HydrophobicContact CG-CB 4.49Å; Y169-F173 AromaticContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD2 4.32Å; Y169-F173 AromaticContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE2 4.49Å; Y169-F173 AromaticContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CZ 4.22Å; Y169-F173 AromaticContact CZ-CZ 3.9Å; N170-F173 WeakPolarHBondContact O-CB 3.42Å; N170-F173 PolarHBondContact O-N 3.42Å; N170-F173 VanDerWaalsContact O-N 3.1Å; N170-F173 PolarHBondContact OD1-N 2.81Å; R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 PolarHBondContact O-N 3.34Å; F173-E175 PolarHBondContact O-N 3.37Å; F173-N176 PolarHBondContact O-N 3.39Å; F173-L177 HydrophobicContact CE1-CD1 4.17Å; F173-L177 HydrophobicContact CE1-CD2 4.28Å; F173-L177 HydrophobicContact CZ-CD1 4.05Å; F173-L177 WeakPolarHBondContact O-CB 3.21Å; F173-L177 PolarHBondContact O-N 3.16Å
174L97.8Very high96.5Very high0 Ų059.6 Ų59.60%030%0.302CS..Hα-helixtrans-62.7-39.9-179.3-179.864000112.7L165 N170 R171 N176 L198 L200 R216 C255L165-L174 HydrophobicContact CD1-CD1 3.97Å; N170-L174 PolarHBondContact O-N 2.86Å; R171-L174 PolarHBondContact O-N 3.11Å; R171-L174 VanDerWaalsContact O-N 3.14Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.8Å; L174-L198 HydrophobicContact CD1-CB 3.95Å; L174-L200 HydrophobicContact CB-CD1 3.7Å; L174-L200 HydrophobicContact CD2-CB 4.41Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å; L174-L200 HydrophobicContact CD2-CG 4.5Å; L174-R216 HydrophobicContact CD1-CG 4.16Å; L174-R216 HydrophobicContact CD2-CG 4.43Å; L174-R216 HydrophobicContact CG-CG 4.04Å; L174-R216 WeakPolarHBondContact O-CD 3.33Å; L174-R216 PolarHBondContact O-NH1 3.14Å; L174-C255 HydrophobicContact CD2-CB 4.33Å; L174-C255 HydrophobicContact CG-CB 4.41Å
175E97.3Very high96.3Very high78 Ų7862.3 Ų62.336%0.36432%0.318SS..Hα-helixtrans-62.3-35.6175.8-75.3174.4161.900112.3R171 F173 C255R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 3.07Å; R171-E175 VanDerWaalsContact CZ-OE1 3.29Å; R171-E175 IonicContact NE-OE1 3.66Å; R171-E175 PolarHBondContact NE-OE1 2.51Å; R171-E175 IonicContact NE-OE2 2.72Å; R171-E175 IonicContact NH2-OE1 2.84Å; R171-E175 PolarHBondContact NH2-OE1 2.83Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.22Å; F173-E175 PolarHBondContact O-N 3.37Å; E175-C255 HydrophobicContact CG-CB 3.65Å
176N97.9Very high96.1Very high107 Ų10769.2 Ų69.257%0.57235%0.35SS*.Hα-helixtrans-94.7-12.2-176.7-72-74.2000114.2S172 F173 L174 K178S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.32Å; S172-N176 PolarHBondContact O-ND2 3.44Å; F173-N176 PolarHBondContact O-N 3.39Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.8Å; N176-K178 PolarHBondContact O-N 2.9Å
177L98.2Very high96Very high21 Ų2171 Ų7111%0.1136%0.36CS..  trans-56.9121.7179.4-17861.9000110.4I144 L165 F173 V179 L198 R216I144-L177 HydrophobicContact CB-CD2 4.36Å; I144-L177 HydrophobicContact CG2-CD2 3.83Å; I144-L177 HydrophobicContact CG2-CG 4.49Å; L165-L177 HydrophobicContact CD1-CD2 4.04Å; F173-L177 HydrophobicContact CE1-CD1 4.17Å; F173-L177 HydrophobicContact CE1-CD2 4.28Å; F173-L177 HydrophobicContact CZ-CD1 4.05Å; F173-L177 WeakPolarHBondContact O-CB 3.21Å; F173-L177 PolarHBondContact O-N 3.16Å; L177-V179 HydrophobicContact CD2-CG2 4.47Å; L177-V179 HydrophobicContact CG-CG2 4.32Å; L177-V179 PolarHBondContact O-N 3.39Å; L177-L198 HydrophobicContact CD2-CD1 3.77Å; L177-R216 PolarHBondContact O-NH1 3.12Å
178K97.1Very high96Very high187 Ų18768 Ų6881%0.81334%0.343SS*.  trans-84.7112.1175-62.3-57.7-177.4-174.60108.7N176N176-K178 PolarHBondContact O-N 2.9Å
179V98Very high95.9Very high22 Ų2268.8 Ų68.813%0.13334%0.344CS..  trans-94.4124.1176.8-1790000108.6A143 I144 L177 T181 L198 F218A143-V179 HydrophobicContact CB-CG1 4.24Å; A143-V179 WeakPolarHBondContact O-CA 3.19Å; I144-V179 HydrophobicContact CG2-CG2 4.25Å; L177-V179 HydrophobicContact CD2-CG2 4.47Å; L177-V179 HydrophobicContact CG-CG2 4.32Å; L177-V179 PolarHBondContact O-N 3.39Å; V179-T181 HydrophobicContact CG1-CG2 4.22Å; V179-T181 PolarHBondContact O-N 3.08Å; V179-L198 HydrophobicContact CG2-CD1 3.63Å; V179-F218 HydrophobicContact CB-CD1 4.19Å; V179-F218 HydrophobicContact CB-CE1 3.68Å; V179-F218 HydrophobicContact CB-CE2 4.22Å; V179-F218 HydrophobicContact CB-CZ 3.69Å; V179-F218 HydrophobicContact CG1-CD1 4.04Å; V179-F218 HydrophobicContact CG1-CD2 4.2Å; V179-F218 HydrophobicContact CG1-CE1 4.03Å; V179-F218 HydrophobicContact CG1-CE2 4.19Å; V179-F218 HydrophobicContact CG1-CG 4.13Å; V179-F218 HydrophobicContact CG1-CZ 4.09Å; V179-F218 HydrophobicContact CG2-CE1 3.88Å; V179-F218 HydrophobicContact CG2-CE2 3.71Å; V179-F218 HydrophobicContact CG2-CZ 3.33Å
180N96.5Very high95.8Very high54 Ų5471.2 Ų71.229%0.28936%0.364SS..  trans-79.399174178.9-5.1000108.9T142 A143 E182 N183 L184T142-N180 WeakPolarHBondContact O-CB 3.25Å; A143-N180 PolarHBondContact O-N 3.1Å; A143-N180 VanDerWaalsContact O-N 3.13Å; N180-E182 PolarHBondContact OD1-N 2.92Å; N180-N183 PolarHBondContact ND2-ND2 3.26Å; N180-N183 PolarHBondContact OD1-N 3.45Å; N180-L184 WeakPolarHBondContact O-CD2 3.38Å; N180-L184 WeakPolarHBondContact O-CG 3.32Å
181T94.4Very high95.7Very high28 Ų2869.6 Ų69.617%0.17236%0.364CS..  trans-86.2-22.6178.554.10000113.3V179 F218 A225V179-T181 HydrophobicContact CG1-CG2 4.22Å; V179-T181 PolarHBondContact O-N 3.08Å; T181-F218 HydrophobicContact CG2-CB 4.31Å; T181-F218 HydrophobicContact CG2-CD1 3.65Å; T181-F218 HydrophobicContact CG2-CE1 4.44Å; T181-F218 HydrophobicContact CG2-CG 4.3Å; T181-A225 WeakPolarHBondContact CG2-O 3.34Å
182E90.9Very high95.7Very high159 Ų15969.7 Ų69.774%0.74337%0.366SS*.THydrogen-bonded Turntrans-67.9-42.6-174.1-65.1178.7177.800111.6N180N180-E182 PolarHBondContact OD1-N 2.92Å
183N95Very high95.8Very high64 Ų6466.7 Ų66.734%0.34235%0.345SS..THydrogen-bonded Turntrans-85.5-10.4-176.3-66.8-15.8000113.8T142 N180 L185 Q186 V187T142-N183 HydrophobicContact CG2-CB 3.59Å; N180-N183 PolarHBondContact ND2-ND2 3.26Å; N180-N183 PolarHBondContact OD1-N 3.45Å; N183-L185 VanDerWaalsContact C-N 3.25Å; N183-L185 PolarHBondContact O-N 2.99Å; N183-Q186 PolarHBondContact O-N 3.46Å; N183-Q186 VanDerWaalsContact O-N 3.14Å; N183-V187 PolarHBondContact O-N 2.94Å
184L96.4Very high95.7Very high0 Ų068.1 Ų68.10%035%0.351CS..Hα-helixtrans-62-34.9-177.9-57.4-178.3000112.3L139 T142 A143 N180 Q186 V187 E188 L196 P220 W221L139-L184 HydrophobicContact CD1-CB 4.15Å; L139-L184 HydrophobicContact CD1-CD2 3.67Å; L139-L184 HydrophobicContact CD1-CG 4.39Å; T142-L184 HydrophobicContact CG2-CD2 4.03Å; A143-L184 HydrophobicContact CB-CD2 3.69Å; N180-L184 WeakPolarHBondContact O-CD2 3.38Å; N180-L184 WeakPolarHBondContact O-CG 3.32Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.86Å; L184-V187 PolarHBondContact O-N 3.21Å; L184-E188 PolarHBondContact O-N 3.03Å; L184-L196 HydrophobicContact CD1-CD2 4.32Å; L184-P220 HydrophobicContact CB-CG 4.1Å; L184-P220 HydrophobicContact CD1-CG 4.05Å; L184-W221 HydrophobicContact CB-CH2 4.25Å; L184-W221 HydrophobicContact CB-CZ2 3.98Å; L184-W221 HydrophobicContact CD1-CH2 4.3Å
185L94.3Very high95.6Very high82 Ų8268.1 Ų68.143%0.42935%0.351SS..Hα-helixtrans-65-30.6178.9-64.4177.9000113N183 P220 W221N183-L185 VanDerWaalsContact C-N 3.25Å; N183-L185 PolarHBondContact O-N 2.99Å; L185-P220 HydrophobicContact CD2-CB 4.15Å; L185-P220 HydrophobicContact CD2-CG 4.47Å; L185-P220 HydrophobicContact CG-CB 4.25Å; L185-W221 HydrophobicContact CD2-CB 4.28Å; L185-W221 HydrophobicContact CD2-CG 3.88Å
186Q94.7Very high95.7Very high144 Ų14464.5 Ų64.567%0.67333%0.334SS*.Hα-helixtrans-78.8-39.4-179.9-63.4178.48.400111N183 L184 N189N183-Q186 PolarHBondContact O-N 3.46Å; N183-Q186 VanDerWaalsContact O-N 3.14Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.86Å; Q186-N189 PolarHBondContact O-ND2 3.11Å
187V96Very high95.7Very high55 Ų5559.4 Ų59.433%0.33331%0.307SS..Hα-helixtrans-76.2-44.3-177.1175.90000111.5D138 L139 T142 N183 L184D138-V187 HydrophobicContact CB-CG1 3.73Å; L139-V187 HydrophobicContact CB-CG1 4.22Å; T142-V187 HydrophobicContact CG2-CG2 4.08Å; N183-V187 PolarHBondContact O-N 2.94Å; L184-V187 PolarHBondContact O-N 3.21Å
188E96.1Very high95.8Very high17 Ų1758.4 Ų58.48%0.07930%0.302CS..  trans-109.793175.8172.753.8-109.200109.8L139 L184 T190 G191 K192 V193 W221L139-E188 HydrophobicContact CD1-CB 3.93Å; L139-E188 HydrophobicContact CD2-CB 4.14Å; L139-E188 HydrophobicContact CD2-CG 4.35Å; L184-E188 PolarHBondContact O-N 3.03Å; E188-T190 WeakPolarHBondContact OE1-CA 3.46Å; E188-T190 WeakPolarHBondContact OE1-CB 3.08Å; E188-T190 PolarHBondContact OE1-N 3.29Å; E188-T190 PolarHBondContact OE1-OG1 3.17Å; E188-G191 PolarHBondContact OE1-N 2.91Å; E188-K192 PolarHBondContact OE1-N 2.75Å; E188-V193 HydrophobicContact CG-CB 3.99Å; E188-W221 HydrophobicContact CB-CZ2 3.84Å; E188-W221 HydrophobicContact CG-CZ2 3.86Å; E188-W221 PolarHBondContact O-NE1 2.97Å
189N93.6Very high95.9Very high125 Ų12549.5 Ų49.567%0.66826%0.263SS*.  trans-117.46.4179.160.728.6000112.6Q186 G191Q186-N189 PolarHBondContact O-ND2 3.11Å; N189-G191 VanDerWaalsContact C-N 3.27Å
190T94.3Very high95.9Very high101 Ų10148.5 Ų48.562%0.6226%0.257SS*.SBendtrans-77.9-20.6179.977.10000111.6E188 K192E188-T190 WeakPolarHBondContact OE1-CA 3.46Å; E188-T190 WeakPolarHBondContact OE1-CB 3.08Å; E188-T190 PolarHBondContact OE1-N 3.29Å; E188-T190 PolarHBondContact OE1-OG1 3.17Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 VanDerWaalsContact OG1-CB 3.24Å; T190-K192 WeakPolarHBondContact OG1-CB 3.16Å; T190-K192 PolarHBondContact OG1-N 2.82Å; T190-K192 VanDerWaalsContact OG1-N 3.1Å
191G92.2Very high95.9Very high36 Ų3650.5 Ų50.537%0.37126%0.263SS..SBendtrans80.87.2-173.900000113.1Q159 E188 N189Q159-G191 PolarHBondContact NE2-O 2.8Å; E188-G191 PolarHBondContact OE1-N 2.91Å; N189-G191 VanDerWaalsContact C-N 3.27Å
192K95.6Very high95.9Very high60 Ų6049.9 Ų49.926%0.26126%0.262SS..SBendtrans-62.2-57.2174.2-179.4179.3177.4-175.60110E135 Y154 Q159 E188 T190E135-K192 IonicContact OE2-NZ 3.03Å; E135-K192 PolarHBondContact OE2-NZ 3.08Å; Y154-K192 HydrophobicContact CE2-CG 4.39Å; Y154-K192 PolarHBondContact OH-O 2.66Å; Q159-K192 WeakPolarHBondContact CB-O 3.35Å; Q159-K192 PolarHBondContact NE2-O 3.5Å; E188-K192 PolarHBondContact OE1-N 2.75Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 VanDerWaalsContact OG1-CB 3.24Å; T190-K192 WeakPolarHBondContact OG1-CB 3.16Å; T190-K192 PolarHBondContact OG1-N 2.82Å; T190-K192 VanDerWaalsContact OG1-N 3.1Å
193V97.3Very high95.7Very high0 Ų046.3 Ų46.30%025%0.245CC..  trans-98.6131.4-179.8-177.70000110.4L139 Y154 Q159 L161 E188 G195 W221L139-V193 HydrophobicContact CD2-CB 4.25Å; L139-V193 HydrophobicContact CD2-CG1 4.29Å; L139-V193 HydrophobicContact CD2-CG2 4.17Å; Y154-V193 HydrophobicContact CD2-CG2 4.44Å; Y154-V193 HydrophobicContact CE2-CG2 4.22Å; Q159-V193 WeakPolarHBondContact O-CA 3.41Å; L161-V193 HydrophobicContact CB-CG1 3.72Å; L161-V193 HydrophobicContact CB-CG2 4.01Å; E188-V193 HydrophobicContact CG-CB 3.99Å; V193-G195 VanDerWaalsContact CG1-O 3.31Å; V193-G195 WeakPolarHBondContact CG1-O 3.39Å; V193-W221 HydrophobicContact CG1-CH2 3.98Å; V193-W221 HydrophobicContact CG1-CZ2 4.43Å; V193-W221 HydrophobicContact CG1-CZ3 4.21Å
194K95.4Very high94.6Very high91 Ų9149.4 Ų49.440%0.39627%0.269SS..SBendtrans-120.4-1.6173.7-66.5-173178.5159.40113.6Q159Q159-K194 HydrophobicContact CB-CB 4.09Å; Q159-K194 HydrophobicContact CB-CD 4.46Å; Q159-K194 HydrophobicContact CB-CG 4.17Å; Q159-K194 PolarHBondContact O-N 3.19Å; Q159-K194 VanDerWaalsContact OE1-CE 3.23Å
195G97.2Very high93Very high0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-157.4138.7176.300000111.6Q159 K160 L161 V193 F218Q159-G195 PolarHBondContact O-N 3.06Å; K160-G195 CarbonylContact C-O 3.6Å; K160-G195 WeakPolarHBondContact CA-O 3.05Å; L161-G195 PolarHBondContact N-O 2.7Å; V193-G195 VanDerWaalsContact CG1-O 3.31Å; V193-G195 WeakPolarHBondContact CG1-O 3.39Å; G195-F218 CarbonylContact C-O 2.99Å; G195-F218 WeakPolarHBondContact CA-O 3.4Å
196L98.7Very high91.4Very high1 Ų150.6 Ų50.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-110.3116.3176.117764.9000108.8A143 L161 V163 L184 L198 Y217 F218 W221A143-L196 HydrophobicContact CB-CD2 3.6Å; L161-L196 HydrophobicContact CB-CD1 4.47Å; L161-L196 HydrophobicContact CD2-CD1 4.19Å; L161-L196 HydrophobicContact CG-CD1 4.47Å; V163-L196 HydrophobicContact CG2-CD1 3.72Å; L184-L196 HydrophobicContact CD1-CD2 4.32Å; L196-L198 HydrophobicContact CD1-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CD2 4.22Å; L196-L198 HydrophobicContact CG-CD2 4.08Å; L196-Y217 WeakPolarHBondContact O-CA 3.33Å; L196-F218 HydrophobicContact CB-CB 4.4Å; L196-F218 PolarHBondContact N-O 3Å; L196-F218 PolarHBondContact O-N 3.13Å; L196-W221 HydrophobicContact CB-CH2 4.49Å; L196-W221 HydrophobicContact CB-CZ3 4.41Å
197I98.9Very high89.4Confident0 Ų053.8 Ų53.80%032%0.316CS..EExtended strand (participates in β ladder)trans-98122.7171-57.7165.3000107.5K160 L161 L162 V163 R216 Y217 A233 V236 L237K160-I197 HydrophobicContact CB-CD1 3.98Å; K160-I197 HydrophobicContact CB-CG1 4.47Å; K160-I197 HydrophobicContact CD-CD1 3.82Å; K160-I197 HydrophobicContact CD-CG1 4.28Å; L161-I197 PolarHBondContact O-N 2.68Å; L162-I197 HydrophobicContact CB-CB 4.38Å; L162-I197 HydrophobicContact CB-CD1 4.48Å; L162-I197 HydrophobicContact CG-CB 4.47Å; L162-I197 HydrophobicContact CG-CG2 4.36Å; V163-I197 PolarHBondContact N-O 2.99Å; I197-R216 WeakPolarHBondContact CA-O 3.26Å; I197-Y217 HydrophobicContact CG1-CD2 3.6Å; I197-Y217 HydrophobicContact CG1-CE2 3.98Å; I197-A233 HydrophobicContact CD1-CB 3.98Å; I197-A233 HydrophobicContact CG1-CB 4.02Å; I197-V236 HydrophobicContact CD1-CB 4.15Å; I197-V236 HydrophobicContact CD1-CG1 4.24Å; I197-L237 HydrophobicContact CG2-CD1 3.81Å; I197-L237 HydrophobicContact CG2-CD2 3.76Å; I197-L237 HydrophobicContact CG2-CG 3.91Å
198L98.9Very high87.6Confident1 Ų156.4 Ų56.41%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-100.8133.6164.2-57.1-174.2000108.2I144 V163 L174 L177 V179 L196 S215 R216 F218I144-L198 HydrophobicContact CG2-CD1 3.65Å; I144-L198 HydrophobicContact CG2-CD2 4.14Å; V163-L198 HydrophobicContact CB-CD2 3.91Å; V163-L198 HydrophobicContact CG1-CD2 4.39Å; V163-L198 HydrophobicContact CG2-CD2 4.47Å; V163-L198 WeakPolarHBondContact O-CA 3.37Å; L174-L198 HydrophobicContact CD1-CB 3.95Å; L177-L198 HydrophobicContact CD2-CD1 3.77Å; V179-L198 HydrophobicContact CG2-CD1 3.63Å; L196-L198 HydrophobicContact CD1-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CD2 4.22Å; L196-L198 HydrophobicContact CG-CD2 4.08Å; L198-S215 CarbonylContact O-C 3.56Å; L198-S215 WeakPolarHBondContact O-CA 3.43Å; L198-R216 PolarHBondContact N-O 2.92Å; L198-R216 PolarHBondContact O-N 2.96Å; L198-F218 HydrophobicContact CD1-CE2 3.78Å; L198-F218 HydrophobicContact CD1-CZ 4.49Å; L198-F218 HydrophobicContact CG-CD2 4.43Å; L198-F218 HydrophobicContact CG-CE2 3.96Å
199T98.9Very high86.2Confident0 Ų061.8 Ų61.80%036%0.357CS..EExtended strand (participates in β ladder)trans-141.2150.6-178.8-1680000113.1L162 V163 R164 L165 Y214 L237 W241L162-T199 HydrophobicContact CD2-CG2 3.83Å; L162-T199 HydrophobicContact CG-CG2 4.18Å; V163-T199 PolarHBondContact O-N 2.7Å; R164-T199 WeakPolarHBondContact CA-O 3.23Å; R164-T199 HydrophobicContact CB-CG2 3.99Å; R164-T199 HydrophobicContact CG-CG2 4.33Å; L165-T199 PolarHBondContact N-O 2.85Å; T199-Y214 VanDerWaalsContact CA-O 3.22Å; T199-Y214 WeakPolarHBondContact CA-O 3.21Å; T199-Y214 WeakPolarHBondContact CB-O 3.34Å; T199-Y214 PolarHBondContact OG1-O 2.82Å; T199-L237 HydrophobicContact CG2-CD2 3.86Å; T199-L237 WeakPolarHBondContact OG1-CD2 3.43Å; T199-W241 HydrophobicContact CG2-CZ2 3.86Å; T199-W241 WeakPolarHBondContact OG1-CZ2 3.15Å; T199-W241 PolarHBondContact OG1-NE1 2.9Å
200L97.8Very high85.9Confident1 Ų158 Ų581%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-132.4148.1176.1-85.1177.2000110.3L165 S166 N170 L174 F213 Y214L165-L200 HydrophobicContact CB-CD2 3.57Å; L165-L200 HydrophobicContact CB-CG 4.06Å; L165-L200 HydrophobicContact CD1-CG 4.35Å; S166-L200 WeakPolarHBondContact O-CD2 3.35Å; N170-L200 VanDerWaalsContact O-CD1 3.25Å; N170-L200 WeakPolarHBondContact O-CD1 3.47Å; L174-L200 HydrophobicContact CB-CD1 3.7Å; L174-L200 HydrophobicContact CD2-CB 4.41Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å; L174-L200 HydrophobicContact CD2-CG 4.5Å; L200-F213 CarbonylContact O-C 3.57Å; L200-F213 WeakPolarHBondContact O-CA 3.42Å; L200-F213 WeakPolarHBondContact O-CB 3.33Å; L200-Y214 PolarHBondContact N-O 3.36Å; L200-Y214 PolarHBondContact O-N 3.23Å
201K96.9Very high85.9Confident95 Ų9554.1 Ų54.141%0.41332%0.318SS..EExtended strand (participates in β ladder)trans-63.5143.1170.4-168.7174.8178.6179.10109.4W241 L245K201-W241 VanDerWaalsContact CA-CH2 3.45Å; K201-W241 HydrophobicContact CB-CH2 3.68Å; K201-W241 HydrophobicContact CB-CZ3 3.93Å; K201-W241 HydrophobicContact CG-CH2 4.32Å; K201-W241 HydrophobicContact CG-CZ3 4.06Å; K201-W241 VanDerWaalsContact N-CH2 3.34Å; K201-L245 HydrophobicContact CD-CD2 4.49Å; K201-L245 HydrophobicContact CG-CD2 4.41Å
202G94.6Very high86.1Confident16 Ų1653.8 Ų53.817%0.16531%0.308CS..PPolyproline II helixtrans-64.4152.7174.800000112.7F211 D212G202-F211 WeakPolarHBondContact CA-O 3.44Å; G202-D212 WeakPolarHBondContact CA-O 3.42Å; G202-D212 PolarHBondContact N-O 2.98Å
203E86Confident86.3Confident83 Ų8351 Ų5139%0.38830%0.296SS..PPolyproline II helixtrans-93.5141.6174.6-66.4172.397.400109N170 R171 G205N170-E203 WeakPolarHBondContact CB-OE1 3.49Å; R171-E203 PolarHBondContact N-OE2 2.82Å; E203-G205 PolarHBondContact O-N 3.43Å; E203-G205 VanDerWaalsContact O-N 3.17Å
204P73.8Confident86.3Confident130 Ų13051.7 Ų51.784%0.84430%0.298SS*.PPolyproline II helixtrans-56.4125.7173.922.8-30.9000109.2G206P204-G206 PolarHBondContact O-N 3.39Å
205G62.5Low86.5Confident39 Ų3947.4 Ų47.440%0.40228%0.28SS..PPolyproline II helixtrans-61.2127.1-177.100000110.6E203E203-G205 PolarHBondContact O-N 3.43Å; E203-G205 VanDerWaalsContact O-N 3.17Å
206G60.5Low86.5Confident67 Ų6748.3 Ų48.369%0.69128%0.283SS*.SBendtrans-73.6-120.8161.300000109.7P204 T208P204-G206 PolarHBondContact O-N 3.39Å; G206-T208 PolarHBondContact O-N 2.79Å
207Q52.2Low86.5Confident211 Ų21149.3 Ų49.399%0.98629%0.287SS*.SBendtrans-77-6.5175.4-67.2-175.5-17.300114
208T57.8Low86.5Confident110 Ų11049.5 Ų49.568%0.67529%0.288SS*.SBendtrans-102.4153.6-179.955.40000111.2G206 A210G206-T208 PolarHBondContact O-N 2.79Å; T208-A210 PolarHBondContact O-N 3.21Å; T208-A210 VanDerWaalsContact O-N 3.15Å
209Q68.1Low86.3Confident130 Ų13049.5 Ų49.561%0.60729%0.288SS*.PPolyproline II helixtrans-55.6121.6173.2-172.7171.30.700109.9H251Q209-H251 PolarHBondContact NE2-CE1 2.83Å; Q209-H251 VanDerWaalsContact NE2-CE1 3.31Å; Q209-H251 PolarHBondContact NE2-ND1 2.75Å
210A85.8Confident86.1Confident46 Ų4650.3 Ų50.338%0.3829%0.293SS..PPolyproline II helixtrans-68.5138.2178.300000109.8T208T208-A210 PolarHBondContact O-N 3.21Å; T208-A210 VanDerWaalsContact O-N 3.15Å
211F95.3Very high85.8Confident19 Ų1952.7 Ų52.78%0.08330%0.302CS..PPolyproline II helixtrans-96.7142.3163.2-62.6-78.7000108G202 Y214 H251 F253 E261G202-F211 WeakPolarHBondContact CA-O 3.44Å; F211-Y214 HydrophobicContact CB-CD1 4.41Å; F211-Y214 HydrophobicContact CB-CE1 3.75Å; F211-Y214 AromaticContact CD2-CE1 3.68Å; F211-Y214 HydrophobicContact CD2-CE1 3.68Å; F211-Y214 AromaticContact CG-CE1 3.96Å; F211-Y214 HydrophobicContact CG-CE1 3.96Å; F211-H251 CarbonylContact C-O 3.41Å; F211-H251 WeakPolarHBondContact CA-O 3.39Å; F211-H251 HydrophobicContact CD1-CB 4.46Å; F211-H251 AromaticContact CD1-CE1 3.8Å; F211-H251 AromaticContact CD1-CG 3.82Å; F211-H251 AromaticContact CD1-ND1 3.52Å; F211-H251 AromaticContact CE1-CE1 3.27Å; F211-H251 WeakPolarHBondContact CE1-CE1 3.41Å; F211-H251 AromaticContact CE1-ND1 3.49Å; F211-H251 WeakPolarHBondContact CE1-ND1 3.43Å; F211-H251 AromaticContact CE1-NE2 3.73Å; F211-F253 HydrophobicContact CD1-CB 3.71Å; F211-F253 HydrophobicContact CD2-CB 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.77Å; F211-F253 AromaticContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CG 4.33Å; F211-F253 HydrophobicContact CE2-CB 4.15Å; F211-F253 AromaticContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CG 4.35Å; F211-F253 HydrophobicContact CG-CB 3.86Å; F211-F253 HydrophobicContact CZ-CB 4.01Å; F211-F253 AromaticContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CE2 4.43Å; F211-F253 HydrophobicContact CZ-CG 4.17Å; F211-E261 HydrophobicContact CE1-CB 4.35Å; F211-E261 HydrophobicContact CE1-CG 4.33Å; F211-E261 HydrophobicContact CZ-CG 4.36Å
212D96.8Very high85.3Confident30 Ų3052.7 Ų52.716%0.1631%0.31CS..SBendtrans-74.2-31.2174.6-72.2-71.9000111.9G202 L245 K247 M250 H251G202-D212 WeakPolarHBondContact CA-O 3.42Å; G202-D212 PolarHBondContact N-O 2.98Å; D212-L245 HydrophobicContact CB-CD1 3.81Å; D212-K247 IonicContact OD1-NZ 2.66Å; D212-K247 PolarHBondContact OD1-NZ 3.05Å; D212-M250 HydrophobicContact CB-CB 4.15Å; D212-M250 HydrophobicContact CB-CG 4.34Å; D212-M250 VanDerWaalsContact OD2-CA 3.24Å; D212-M250 WeakPolarHBondContact OD2-CA 3.16Å; D212-H251 PolarHBondContact N-O 3.28Å; D212-H251 PolarHBondContact OD2-N 2.87Å
213F98.1Very high84.8Confident0 Ų055.3 Ų55.30%034%0.338CS..EExtended strand (participates in β ladder)trans-156.7160.9173.766.2-93.1000112.9L200 H234 L237 W241 M250 A252 F253 I264L200-F213 CarbonylContact O-C 3.57Å; L200-F213 WeakPolarHBondContact O-CA 3.42Å; L200-F213 WeakPolarHBondContact O-CB 3.33Å; F213-H234 AromaticContact CE2-CD2 3.9Å; F213-L237 HydrophobicContact CD2-CD2 4.49Å; F213-L237 HydrophobicContact CE2-CB 3.8Å; F213-L237 HydrophobicContact CE2-CD1 4.04Å; F213-L237 HydrophobicContact CE2-CD2 4.26Å; F213-L237 HydrophobicContact CE2-CG 4.27Å; F213-L237 HydrophobicContact CZ-CB 3.9Å; F213-W241 HydrophobicContact CB-CD2 3.83Å; F213-W241 HydrophobicContact CB-CG 3.99Å; F213-W241 HydrophobicContact CB-CZ2 4.03Å; F213-W241 HydrophobicContact CD1-CB 3.78Å; F213-W241 AromaticContact CD1-CD1 3.44Å; F213-W241 VanDerWaalsContact CD1-CD1 3.44Å; F213-W241 HydrophobicContact CD1-CD2 4.28Å; F213-W241 AromaticContact CD1-CG 3.56Å; F213-W241 HydrophobicContact CD1-CG 3.56Å; F213-W241 AromaticContact CD2-CD1 3.52Å; F213-W241 HydrophobicContact CD2-CG 4.38Å; F213-W241 AromaticContact CD2-NE1 3.54Å; F213-W241 HydrophobicContact CE1-CB 3.97Å; F213-W241 AromaticContact CE1-CD1 3.75Å; F213-W241 HydrophobicContact CE1-CG 4.04Å; F213-W241 AromaticContact CE2-CD1 3.83Å; F213-W241 HydrophobicContact CG-CB 4.45Å; F213-W241 AromaticContact CG-CD1 3.3Å; F213-W241 HydrophobicContact CG-CD2 4.13Å; F213-W241 AromaticContact CG-CE2 3.98Å; F213-W241 AromaticContact CG-CG 3.74Å; F213-W241 HydrophobicContact CG-CG 3.74Å; F213-W241 AromaticContact CG-NE1 3.45Å; F213-W241 AromaticContact CZ-CD1 3.91Å; F213-M250 HydrophobicContact CE1-CB 4.41Å; F213-M250 HydrophobicContact CE1-SD 4.27Å; F213-A252 HydrophobicContact CD1-CB 4.3Å; F213-A252 HydrophobicContact CD2-CB 3.95Å; F213-A252 HydrophobicContact CE1-CB 3.83Å; F213-A252 HydrophobicContact CE2-CB 3.4Å; F213-A252 VanDerWaalsContact CE2-CB 3.4Å; F213-A252 HydrophobicContact CG-CB 4.37Å; F213-A252 HydrophobicContact CZ-CB 3.37Å; F213-A252 WeakPolarHBondContact O-CA 3.31Å; F213-F253 PolarHBondContact O-N 3.42Å; F213-I264 HydrophobicContact CE1-CD1 3.7Å; F213-I264 HydrophobicContact CZ-CD1 3.42Å; F213-I264 VanDerWaalsContact CZ-CD1 3.42Å
214Y98.2Very high85Confident15 Ų1553.5 Ų53.56%0.05933%0.332CS..EExtended strand (participates in β ladder)trans-115.3150.9175.3-57.3-69.6000110.4R171 T199 L200 F211 F253R171-Y214 HydrophobicContact CB-CD1 4.43Å; R171-Y214 HydrophobicContact CB-CD2 4.09Å; R171-Y214 HydrophobicContact CB-CE1 4.23Å; R171-Y214 HydrophobicContact CB-CE2 3.81Å; R171-Y214 HydrophobicContact CB-CG 4.39Å; R171-Y214 HydrophobicContact CG-CD1 4.06Å; R171-Y214 HydrophobicContact CG-CE1 3.96Å; R171-Y214 HydrophobicContact CG-CE2 4.42Å; R171-Y214 HydrophobicContact CG-CG 4.39Å; T199-Y214 VanDerWaalsContact CA-O 3.22Å; T199-Y214 WeakPolarHBondContact CA-O 3.21Å; T199-Y214 WeakPolarHBondContact CB-O 3.34Å; T199-Y214 PolarHBondContact OG1-O 2.82Å; L200-Y214 PolarHBondContact N-O 3.36Å; L200-Y214 PolarHBondContact O-N 3.23Å; F211-Y214 HydrophobicContact CB-CD1 4.41Å; F211-Y214 HydrophobicContact CB-CE1 3.75Å; F211-Y214 AromaticContact CD2-CE1 3.68Å; F211-Y214 HydrophobicContact CD2-CE1 3.68Å; F211-Y214 AromaticContact CG-CE1 3.96Å; F211-Y214 HydrophobicContact CG-CE1 3.96Å; Y214-F253 CarbonylContact C-O 3.59Å; Y214-F253 VanDerWaalsContact CA-O 3.3Å; Y214-F253 WeakPolarHBondContact CA-O 3.43Å; Y214-F253 HydrophobicContact CD1-CB 3.93Å; Y214-F253 HydrophobicContact CE1-CB 4.19Å
215S98.8Very high85.9Confident1 Ų150 Ų501%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-143.6160.1177.867.60000113.4L198 H234 F253 Q254 C255L198-S215 CarbonylContact O-C 3.56Å; L198-S215 WeakPolarHBondContact O-CA 3.43Å; S215-H234 PolarHBondContact OG-CE1 3.29Å; S215-H234 PolarHBondContact OG-NE2 2.84Å; S215-F253 PolarHBondContact N-O 2.88Å; S215-Q254 CarbonylContact O-C 3.57Å; S215-Q254 VanDerWaalsContact O-CA 3.29Å; S215-Q254 WeakPolarHBondContact O-CA 3.33Å; S215-C255 PolarHBondContact O-N 2.77Å
216R98.8Very high87.5Confident19 Ų1950.9 Ų50.97%0.07231%0.308CS..EExtended strand (participates in β ladder)trans-136.9150.6160.3-70.2179.266.1-167-1.7108.1L174 L177 I197 L198 F218 E226 C255L174-R216 HydrophobicContact CD1-CG 4.16Å; L174-R216 HydrophobicContact CD2-CG 4.43Å; L174-R216 HydrophobicContact CG-CG 4.04Å; L174-R216 WeakPolarHBondContact O-CD 3.33Å; L174-R216 PolarHBondContact O-NH1 3.14Å; L177-R216 PolarHBondContact O-NH1 3.12Å; I197-R216 WeakPolarHBondContact CA-O 3.26Å; L198-R216 PolarHBondContact N-O 2.92Å; L198-R216 PolarHBondContact O-N 2.96Å; R216-F218 HydrophobicContact CB-CE2 3.66Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-E226 IonicContact CZ-OE1 3.61Å; R216-E226 IonicContact CZ-OE2 2.65Å; R216-E226 IonicContact NE-OE1 2.81Å; R216-E226 PolarHBondContact NE-OE1 3.38Å; R216-E226 IonicContact NE-OE2 3.58Å; R216-E226 VanDerWaalsContact NH2-CD 3.33Å; R216-E226 IonicContact NH2-OE1 3.75Å; R216-E226 PolarHBondContact NH2-OE1 3.07Å; R216-E226 IonicContact NH2-OE2 3.55Å; R216-E226 PolarHBondContact NH2-OE2 2.94Å; R216-C255 HydrophobicContact CG-CB 3.92Å
217Y98.6Very high89.1Confident23 Ų2348.4 Ų48.49%0.0928%0.278CS..EExtended strand (participates in β ladder)trans-134.1127.1-176.7-176.5-109.5000111.7K160 L196 I197 A219 E226 D227 T230 A233K160-Y217 HydrophobicContact CD-CE2 3.64Å; K160-Y217 VanDerWaalsContact CE-OH 3.24Å; K160-Y217 WeakPolarHBondContact CE-OH 3.22Å; K160-Y217 HydrophobicContact CG-CE2 4.13Å; L196-Y217 WeakPolarHBondContact O-CA 3.33Å; I197-Y217 HydrophobicContact CG1-CD2 3.6Å; I197-Y217 HydrophobicContact CG1-CE2 3.98Å; Y217-A219 HydrophobicContact CD1-CB 4.46Å; Y217-A219 HydrophobicContact CE1-CB 3.65Å; Y217-E226 WeakPolarHBondContact O-CA 3.49Å; Y217-D227 HydrophobicContact CD1-CB 3.74Å; Y217-D227 HydrophobicContact CE1-CB 4.47Å; Y217-D227 PolarHBondContact O-N 3.2Å; Y217-T230 HydrophobicContact CD1-CG2 3.7Å; Y217-T230 WeakPolarHBondContact CD1-OG1 3.47Å; Y217-T230 HydrophobicContact CE1-CG2 3.69Å; Y217-T230 HydrophobicContact CG-CG2 4.33Å; Y217-A233 HydrophobicContact CD2-CB 3.87Å; Y217-A233 HydrophobicContact CE2-CB 4.26Å; Y217-A233 HydrophobicContact CG-CB 4.12Å
218F98Very high91.3Very high3 Ų339.2 Ų39.21%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-123.7132.5-178.6-50.9-91.7000108.7V179 T181 G195 L196 L198 R216 A225 E226V179-F218 HydrophobicContact CB-CD1 4.19Å; V179-F218 HydrophobicContact CB-CE1 3.68Å; V179-F218 HydrophobicContact CB-CE2 4.22Å; V179-F218 HydrophobicContact CB-CZ 3.69Å; V179-F218 HydrophobicContact CG1-CD1 4.04Å; V179-F218 HydrophobicContact CG1-CD2 4.2Å; V179-F218 HydrophobicContact CG1-CE1 4.03Å; V179-F218 HydrophobicContact CG1-CE2 4.19Å; V179-F218 HydrophobicContact CG1-CG 4.13Å; V179-F218 HydrophobicContact CG1-CZ 4.09Å; V179-F218 HydrophobicContact CG2-CE1 3.88Å; V179-F218 HydrophobicContact CG2-CE2 3.71Å; V179-F218 HydrophobicContact CG2-CZ 3.33Å; T181-F218 HydrophobicContact CG2-CB 4.31Å; T181-F218 HydrophobicContact CG2-CD1 3.65Å; T181-F218 HydrophobicContact CG2-CE1 4.44Å; T181-F218 HydrophobicContact CG2-CG 4.3Å; G195-F218 CarbonylContact C-O 2.99Å; G195-F218 WeakPolarHBondContact CA-O 3.4Å; L196-F218 HydrophobicContact CB-CB 4.4Å; L196-F218 PolarHBondContact N-O 3Å; L196-F218 PolarHBondContact O-N 3.13Å; L198-F218 HydrophobicContact CD1-CE2 3.78Å; L198-F218 HydrophobicContact CD1-CZ 4.49Å; L198-F218 HydrophobicContact CG-CD2 4.43Å; L198-F218 HydrophobicContact CG-CE2 3.96Å; R216-F218 HydrophobicContact CB-CE2 3.66Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; F218-A225 WeakPolarHBondContact CA-O 3.45Å; F218-A225 WeakPolarHBondContact CB-O 3.29Å; F218-A225 VanDerWaalsContact CD1-O 3.27Å; F218-A225 WeakPolarHBondContact CD1-O 3.18Å; F218-E226 HydrophobicContact CD1-CB 3.83Å; F218-E226 HydrophobicContact CD1-CG 4.07Å; F218-E226 HydrophobicContact CE1-CB 3.88Å; F218-E226 HydrophobicContact CE1-CG 3.81Å; F218-E226 HydrophobicContact CZ-CG 4.42Å
219A94.3Very high93.2Very high2 Ų234 Ų342%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-141.956.1-17800000111.9Y217 W221 V222 V224Y217-A219 HydrophobicContact CD1-CB 4.46Å; Y217-A219 HydrophobicContact CE1-CB 3.65Å; A219-W221 PolarHBondContact O-N 3.18Å; A219-W221 VanDerWaalsContact O-N 3.13Å; A219-V222 HydrophobicContact CB-CG2 3.67Å; A219-V222 WeakPolarHBondContact O-CG2 3.3Å; A219-V222 PolarHBondContact O-N 3.49Å; A219-V224 CarbonylContact C-O 3.32Å; A219-V224 WeakPolarHBondContact CA-O 3.37Å; A219-V224 HydrophobicContact CB-CB 4.42Å; A219-V224 PolarHBondContact N-O 2.83Å; A219-V224 PolarHBondContact O-N 2.91Å; A219-V224 VanDerWaalsContact O-O 3.09Å
220P94.6Very high94.5Very high16 Ų1628.2 Ų28.210%0.10418%0.179CC..G310 helixtrans-60.7-26.8-176.925.5-35.8000112.6L184 L185 V222 G223 V224L184-P220 HydrophobicContact CB-CG 4.1Å; L184-P220 HydrophobicContact CD1-CG 4.05Å; L185-P220 HydrophobicContact CD2-CB 4.15Å; L185-P220 HydrophobicContact CD2-CG 4.47Å; L185-P220 HydrophobicContact CG-CB 4.25Å; P220-V222 PolarHBondContact O-N 2.94Å; P220-V222 VanDerWaalsContact O-N 3.09Å; P220-G223 PolarHBondContact O-N 3.32Å; P220-V224 VanDerWaalsContact N-O 3.1Å
221W92.9Very high94.9Very high51 Ų5126.2 Ų26.219%0.19316%0.162CC..G310 helixtrans-60.7-16.4175.4-56.3-86.5000114.1L139 L184 L185 E188 V193 L196 A219L139-W221 HydrophobicContact CD1-CH2 4.2Å; L139-W221 HydrophobicContact CD1-CZ2 3.94Å; L139-W221 HydrophobicContact CD2-CH2 4.5Å; L139-W221 HydrophobicContact CD2-CZ2 4.45Å; L184-W221 HydrophobicContact CB-CH2 4.25Å; L184-W221 HydrophobicContact CB-CZ2 3.98Å; L184-W221 HydrophobicContact CD1-CH2 4.3Å; L185-W221 HydrophobicContact CD2-CB 4.28Å; L185-W221 HydrophobicContact CD2-CG 3.88Å; E188-W221 HydrophobicContact CB-CZ2 3.84Å; E188-W221 HydrophobicContact CG-CZ2 3.86Å; E188-W221 PolarHBondContact O-NE1 2.97Å; V193-W221 HydrophobicContact CG1-CH2 3.98Å; V193-W221 HydrophobicContact CG1-CZ2 4.43Å; V193-W221 HydrophobicContact CG1-CZ3 4.21Å; L196-W221 HydrophobicContact CB-CH2 4.49Å; L196-W221 HydrophobicContact CB-CZ3 4.41Å; A219-W221 PolarHBondContact O-N 3.18Å; A219-W221 VanDerWaalsContact O-N 3.13Å
222V85.9Confident94.8Very high95 Ų9527 Ų2758%0.57617%0.171SC*.G310 helixtrans-118.420.8173.5-59.20000112A219 P220 V224A219-V222 HydrophobicContact CB-CG2 3.67Å; A219-V222 WeakPolarHBondContact O-CG2 3.3Å; A219-V222 PolarHBondContact O-N 3.49Å; P220-V222 PolarHBondContact O-N 2.94Å; P220-V222 VanDerWaalsContact O-N 3.09Å; V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 HydrophobicContact CG2-CG2 4.42Å; V222-V224 PolarHBondContact O-N 3.22Å
223G84.8Confident94.8Very high72 Ų7225.6 Ų25.674%0.74216%0.163SC*.THydrogen-bonded Turntrans80.18.9176.300000115.1P220P220-G223 PolarHBondContact O-N 3.32Å
224V88.5Confident94.8Very high45 Ų4525.6 Ų25.627%0.27316%0.163SC..EExtended strand (participates in β ladder)trans-110.3103.7-178.8-179.10000109.7A219 P220 V222 D227A219-V224 CarbonylContact C-O 3.32Å; A219-V224 WeakPolarHBondContact CA-O 3.37Å; A219-V224 HydrophobicContact CB-CB 4.42Å; A219-V224 PolarHBondContact N-O 2.83Å; A219-V224 PolarHBondContact O-N 2.91Å; A219-V224 VanDerWaalsContact O-O 3.09Å; P220-V224 VanDerWaalsContact N-O 3.1Å; V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 HydrophobicContact CG2-CG2 4.42Å; V222-V224 PolarHBondContact O-N 3.22Å; V224-D227 HydrophobicContact CG1-CB 3.93Å
225A93.1Very high94.8Very high56 Ų5625 Ų2546%0.46316%0.161SC..EExtended strand (participates in β ladder)trans-57.7-57.2178.900000111.2T181 F218T181-A225 WeakPolarHBondContact CG2-O 3.34Å; F218-A225 WeakPolarHBondContact CA-O 3.45Å; F218-A225 WeakPolarHBondContact CB-O 3.29Å; F218-A225 VanDerWaalsContact CD1-O 3.27Å; F218-A225 WeakPolarHBondContact CD1-O 3.18Å
226E95.9Very high94.7Very high58 Ų5824.9 Ų24.927%0.27116%0.16SC..EExtended strand (participates in β ladder)trans-139124.9172-178.3170.1-169.900109.1R216 Y217 F218 S256R216-E226 IonicContact CZ-OE1 3.61Å; R216-E226 IonicContact CZ-OE2 2.65Å; R216-E226 IonicContact NE-OE1 2.81Å; R216-E226 PolarHBondContact NE-OE1 3.38Å; R216-E226 IonicContact NE-OE2 3.58Å; R216-E226 VanDerWaalsContact NH2-CD 3.33Å; R216-E226 IonicContact NH2-OE1 3.75Å; R216-E226 PolarHBondContact NH2-OE1 3.07Å; R216-E226 IonicContact NH2-OE2 3.55Å; R216-E226 PolarHBondContact NH2-OE2 2.94Å; Y217-E226 WeakPolarHBondContact O-CA 3.49Å; F218-E226 HydrophobicContact CD1-CB 3.83Å; F218-E226 HydrophobicContact CD1-CG 4.07Å; F218-E226 HydrophobicContact CE1-CB 3.88Å; F218-E226 HydrophobicContact CE1-CG 3.81Å; F218-E226 HydrophobicContact CZ-CG 4.42Å; E226-S256 WeakPolarHBondContact OE1-CA 3.1Å
227D95.5Very high94.7Very high14 Ų1424 Ų248%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-83.3135.7176.7-169.232000109.4N19 Y217 V224 T230 Q254N19-D227 PolarHBondContact ND2-OD1 3.33Å; N19-D227 PolarHBondContact ND2-OD2 3.43Å; Y217-D227 HydrophobicContact CD1-CB 3.74Å; Y217-D227 HydrophobicContact CE1-CB 4.47Å; Y217-D227 PolarHBondContact O-N 3.2Å; V224-D227 HydrophobicContact CG1-CB 3.93Å; D227-T230 WeakPolarHBondContact CB-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD2-CA 3.33Å; D227-T230 VanDerWaalsContact OD2-CB 3.23Å; D227-T230 WeakPolarHBondContact OD2-CB 3.37Å; D227-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D227-T230 PolarHBondContact OD2-OG1 3.27Å; D227-Q254 PolarHBondContact O-NE2 3.19Å
228P97Very high94.7Very high18 Ų1822.9 Ų22.912%0.11715%0.152CC..SBendtrans-60.8-48.9-178.8-30.137.8000114.1G18 N19 Q254 S256 R258G18-P228 WeakPolarHBondContact O-CB 3.45Å; N19-P228 HydrophobicContact CB-CB 4.04Å; P228-Q254 PolarHBondContact O-NE2 3.25Å; P228-S256 WeakPolarHBondContact CA-OG 3.45Å; P228-S256 WeakPolarHBondContact O-CB 3.45Å; P228-S256 PolarHBondContact O-OG 3.07Å; P228-R258 HydrophobicContact CB-CB 4.14Å
229V98Very high94.7Very high0 Ų023.2 Ų23.20%016%0.155CC..  trans-152.7123176.7-168.80000111F11 N19 Q254 L262F11-V229 HydrophobicContact CB-CB 4.05Å; F11-V229 HydrophobicContact CB-CG1 3.63Å; F11-V229 HydrophobicContact CB-CG2 4.09Å; F11-V229 HydrophobicContact CD1-CG1 4.48Å; F11-V229 HydrophobicContact CD2-CB 3.79Å; F11-V229 HydrophobicContact CD2-CG1 3.48Å; F11-V229 VanDerWaalsContact CD2-CG1 3.48Å; F11-V229 HydrophobicContact CE2-CG1 4.23Å; F11-V229 HydrophobicContact CG-CB 4.23Å; F11-V229 HydrophobicContact CG-CG1 3.62Å; N19-V229 HydrophobicContact CB-CB 4.08Å; N19-V229 HydrophobicContact CB-CG2 4.47Å; N19-V229 PolarHBondContact ND2-N 2.71Å; N19-V229 PolarHBondContact ND2-O 3.33Å; V229-Q254 VanDerWaalsContact CA-CD 3.5Å; V229-Q254 HydrophobicContact CG1-CB 4.34Å; V229-L262 HydrophobicContact CG1-CD1 3.76Å; V229-L262 HydrophobicContact CG1-CD2 4.03Å; V229-L262 HydrophobicContact CG1-CG 4.16Å
230T95.9Very high94.9Very high10 Ų1023.3 Ų23.36%0.06116%0.155CC..  trans-117.6107.1-170-37.30000111.9Y217 D227 S232 A233 H234 Q254Y217-T230 HydrophobicContact CD1-CG2 3.7Å; Y217-T230 WeakPolarHBondContact CD1-OG1 3.47Å; Y217-T230 HydrophobicContact CE1-CG2 3.69Å; Y217-T230 HydrophobicContact CG-CG2 4.33Å; D227-T230 WeakPolarHBondContact CB-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD2-CA 3.33Å; D227-T230 VanDerWaalsContact OD2-CB 3.23Å; D227-T230 WeakPolarHBondContact OD2-CB 3.37Å; D227-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D227-T230 PolarHBondContact OD2-OG1 3.27Å; T230-S232 VanDerWaalsContact C-N 3.33Å; T230-S232 PolarHBondContact O-N 3.19Å; T230-A233 HydrophobicContact CG2-CB 3.94Å; T230-A233 PolarHBondContact O-N 2.79Å; T230-H234 PolarHBondContact O-N 3.14Å; T230-H234 VanDerWaalsContact O-N 3.11Å; T230-H234 PolarHBondContact O-ND1 2.87Å; T230-Q254 PolarHBondContact OG1-NE2 3.34Å
231G93.4Very high95.1Very high3 Ų322.6 Ų22.63%0.03115%0.15CC..Hα-helixtrans-60.3-40.1178.400000113.3A233 H234 A235G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.42Å; G231-H234 CarbonylContact O-C 2.85Å; G231-H234 PolarHBondContact O-N 3.25Å; G231-H234 VanDerWaalsContact O-N 3.14Å; G231-A235 PolarHBondContact O-N 2.9Å
232S92.8Very high95.3Very high37 Ų3720.3 Ų20.326%0.25914%0.142SC..Hα-helixtrans-74.1-22.1179.670.20000113.4K160 T230K160-S232 VanDerWaalsContact NZ-CB 3.29Å; K160-S232 PolarHBondContact NZ-O 3.21Å; K160-S232 PolarHBondContact NZ-OG 2.97Å; T230-S232 VanDerWaalsContact C-N 3.33Å; T230-S232 PolarHBondContact O-N 3.19Å
233A97.4Very high95.9Very high0 Ų022.1 Ų22.10%014%0.144CC..Hα-helixtrans-72-39167.500000110.1K160 I197 Y217 T230 G231 A235 V236 L237K160-A233 HydrophobicContact CD-CB 4.3Å; I197-A233 HydrophobicContact CD1-CB 3.98Å; I197-A233 HydrophobicContact CG1-CB 4.02Å; Y217-A233 HydrophobicContact CD2-CB 3.87Å; Y217-A233 HydrophobicContact CE2-CB 4.26Å; Y217-A233 HydrophobicContact CG-CB 4.12Å; T230-A233 HydrophobicContact CG2-CB 3.94Å; T230-A233 PolarHBondContact O-N 2.79Å; G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.42Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.81Å; A233-V236 WeakPolarHBondContact O-CB 3.19Å; A233-V236 PolarHBondContact O-N 3.49Å; A233-V236 VanDerWaalsContact O-N 3.08Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 2.71Å
234H98.4Very high96.4Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-67.9-29.9176.4-73.185.2000113.1F213 S215 T230 G231 V236 L237 S238 Q254 L262 I274F213-H234 AromaticContact CE2-CD2 3.9Å; S215-H234 PolarHBondContact OG-CE1 3.29Å; S215-H234 PolarHBondContact OG-NE2 2.84Å; T230-H234 PolarHBondContact O-N 3.14Å; T230-H234 VanDerWaalsContact O-N 3.11Å; T230-H234 PolarHBondContact O-ND1 2.87Å; G231-H234 CarbonylContact O-C 2.85Å; G231-H234 PolarHBondContact O-N 3.25Å; G231-H234 VanDerWaalsContact O-N 3.14Å; H234-V236 PolarHBondContact O-N 3.44Å; H234-L237 PolarHBondContact O-N 3.18Å; H234-S238 WeakPolarHBondContact O-CB 3.36Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.79Å; H234-Q254 PolarHBondContact CE1-OE1 3.07Å; H234-L262 HydrophobicContact CB-CD2 3.98Å; H234-I274 HydrophobicContact CB-CD1 4.26Å
235A97.4Very high96.8Very high1 Ų122.5 Ų22.51%0.00812%0.124CC..Hα-helixtrans-61.6-30.2169.700000113.4P124 L125 Y126 G231 A233 V272P124-A235 WeakPolarHBondContact O-CB 3.47Å; L125-A235 WeakPolarHBondContact CD1-O 3.33Å; Y126-A235 HydrophobicContact CD2-CB 3.7Å; Y126-A235 HydrophobicContact CE2-CB 4.26Å; Y126-A235 PolarHBondContact N-O 3.4Å; G231-A235 PolarHBondContact O-N 2.9Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.81Å; A235-V272 HydrophobicContact CB-CG1 4.21Å
236V98.5Very high97Very high0 Ų023.2 Ų23.20%014%0.137CC..Hα-helixtrans-79.6-50.9173.4-179.50000110.7Y126 A128 T158 K160 L162 I197 A233 H234 S238 S239 Y240Y126-V236 WeakPolarHBondContact O-CA 3.31Å; A128-V236 HydrophobicContact CB-CG1 3.84Å; T158-V236 HydrophobicContact CG2-CG2 4.11Å; T158-V236 WeakPolarHBondContact OG1-CG2 3.34Å; K160-V236 HydrophobicContact CD-CG2 4.3Å; L162-V236 HydrophobicContact CD1-CG1 4.3Å; I197-V236 HydrophobicContact CD1-CB 4.15Å; I197-V236 HydrophobicContact CD1-CG1 4.24Å; A233-V236 WeakPolarHBondContact O-CB 3.19Å; A233-V236 PolarHBondContact O-N 3.49Å; A233-V236 VanDerWaalsContact O-N 3.08Å; H234-V236 PolarHBondContact O-N 3.44Å; V236-S238 PolarHBondContact O-N 2.86Å; V236-S239 PolarHBondContact O-N 2.75Å; V236-S239 VanDerWaalsContact O-N 3.12Å; V236-Y240 PolarHBondContact O-N 2.84Å
237L98.7Very high97Very high0 Ų024.8 Ų24.80%014%0.143CC..Hα-helixtrans-57.6-36.2179.1-75.5157.6000112.6L162 I197 T199 F213 A233 H234 S239 Y240 W241L162-L237 HydrophobicContact CD1-CD2 3.78Å; L162-L237 HydrophobicContact CD1-CG 4.3Å; L162-L237 HydrophobicContact CG-CD2 4.42Å; I197-L237 HydrophobicContact CG2-CD1 3.81Å; I197-L237 HydrophobicContact CG2-CD2 3.76Å; I197-L237 HydrophobicContact CG2-CG 3.91Å; T199-L237 HydrophobicContact CG2-CD2 3.86Å; T199-L237 WeakPolarHBondContact OG1-CD2 3.43Å; F213-L237 HydrophobicContact CD2-CD2 4.49Å; F213-L237 HydrophobicContact CE2-CB 3.8Å; F213-L237 HydrophobicContact CE2-CD1 4.04Å; F213-L237 HydrophobicContact CE2-CD2 4.26Å; F213-L237 HydrophobicContact CE2-CG 4.27Å; F213-L237 HydrophobicContact CZ-CB 3.9Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 2.71Å; H234-L237 PolarHBondContact O-N 3.18Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; L237-Y240 PolarHBondContact O-N 2.98Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 2.81Å
238S98.6Very high97.1Very high0 Ų029.9 Ų29.90%017%0.165CC..Hα-helixtrans-61-41.5178.3-63.60000111.6H234 V236 S242 M250 I264H234-S238 WeakPolarHBondContact O-CB 3.36Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.79Å; V236-S238 PolarHBondContact O-N 2.86Å; S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 2.82Å; S238-M250 WeakPolarHBondContact O-CE 3.12Å; S238-I264 WeakPolarHBondContact OG-CG2 3.45Å
239S97.5Very high97.1Very high9 Ų935 Ų356%0.06319%0.187CC..Hα-helixtrans-66.3-49.4177-171.10000110.4Y126 V236 L237 Q243Y126-S239 WeakPolarHBondContact O-CB 3.46Å; V236-S239 PolarHBondContact O-N 2.75Å; V236-S239 VanDerWaalsContact O-N 3.12Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; S239-Q243 WeakPolarHBondContact O-CG 3.45Å; S239-Q243 PolarHBondContact O-N 2.79Å
240Y98.7Very high97.1Very high5 Ų535.4 Ų35.42%0.0219%0.189CC..Hα-helixtrans-58.1-56.7179.9179.5-94.1000112.7D151 C153 L162 R164 V236 L237 S242 Q243 H244D151-Y240 WeakPolarHBondContact CB-OH 3.48Å; D151-Y240 WeakPolarHBondContact OD2-CE2 3.25Å; D151-Y240 PolarHBondContact OD2-OH 2.88Å; C153-Y240 HydrophobicContact CB-CD2 4.47Å; L162-Y240 HydrophobicContact CD1-CD1 4.26Å; L162-Y240 HydrophobicContact CD1-CD2 4.3Å; L162-Y240 HydrophobicContact CD1-CG 3.86Å; L162-Y240 HydrophobicContact CD2-CD1 4.28Å; L162-Y240 HydrophobicContact CD2-CD2 4.15Å; L162-Y240 HydrophobicContact CD2-CE1 4.31Å; L162-Y240 HydrophobicContact CD2-CE2 4.15Å; L162-Y240 HydrophobicContact CD2-CG 4.22Å; R164-Y240 HydrophobicContact CB-CE1 4.42Å; R164-Y240 WeakPolarHBondContact CD-OH 3.44Å; V236-Y240 PolarHBondContact O-N 2.84Å; L237-Y240 PolarHBondContact O-N 2.98Å; Y240-S242 PolarHBondContact O-N 2.91Å; Y240-Q243 PolarHBondContact O-N 3.09Å; Y240-H244 AromaticContact CD1-ND1 4Å; Y240-H244 AromaticContact CD2-CE1 3.72Å; Y240-H244 AromaticContact CD2-ND1 3.89Å; Y240-H244 AromaticContact CE1-CE1 3.99Å; Y240-H244 AromaticContact CE1-ND1 3.74Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.04Å; Y240-H244 AromaticContact CE2-ND1 3.64Å; Y240-H244 AromaticContact CE2-NE2 3.9Å; Y240-H244 AromaticContact CZ-CE1 3.3Å; Y240-H244 AromaticContact CZ-ND1 3.53Å; Y240-H244 AromaticContact CZ-NE2 3.72Å; Y240-H244 PolarHBondContact O-N 3.1Å; Y240-H244 PolarHBondContact O-ND1 3.19Å; Y240-H244 PolarHBondContact OH-CE1 2.78Å; Y240-H244 PolarHBondContact OH-NE2 3.39Å
241W98.4Very high97.1Very high1 Ų136.1 Ų36.10%0.00419%0.192CC..Hα-helixtrans-72.3-29.2-175.3-75.5115.1000112.9R164 T199 K201 F213 L237 Q243 H244 L245 M250R164-W241 HydrophobicContact CG-CH2 4.14Å; R164-W241 HydrophobicContact CG-CZ2 4.26Å; T199-W241 HydrophobicContact CG2-CZ2 3.86Å; T199-W241 WeakPolarHBondContact OG1-CZ2 3.15Å; T199-W241 PolarHBondContact OG1-NE1 2.9Å; K201-W241 VanDerWaalsContact CA-CH2 3.45Å; K201-W241 HydrophobicContact CB-CH2 3.68Å; K201-W241 HydrophobicContact CB-CZ3 3.93Å; K201-W241 HydrophobicContact CG-CH2 4.32Å; K201-W241 HydrophobicContact CG-CZ3 4.06Å; K201-W241 VanDerWaalsContact N-CH2 3.34Å; F213-W241 HydrophobicContact CB-CD2 3.83Å; F213-W241 HydrophobicContact CB-CG 3.99Å; F213-W241 HydrophobicContact CB-CZ2 4.03Å; F213-W241 HydrophobicContact CD1-CB 3.78Å; F213-W241 AromaticContact CD1-CD1 3.44Å; F213-W241 VanDerWaalsContact CD1-CD1 3.44Å; F213-W241 HydrophobicContact CD1-CD2 4.28Å; F213-W241 AromaticContact CD1-CG 3.56Å; F213-W241 HydrophobicContact CD1-CG 3.56Å; F213-W241 AromaticContact CD2-CD1 3.52Å; F213-W241 HydrophobicContact CD2-CG 4.38Å; F213-W241 AromaticContact CD2-NE1 3.54Å; F213-W241 HydrophobicContact CE1-CB 3.97Å; F213-W241 AromaticContact CE1-CD1 3.75Å; F213-W241 HydrophobicContact CE1-CG 4.04Å; F213-W241 AromaticContact CE2-CD1 3.83Å; F213-W241 HydrophobicContact CG-CB 4.45Å; F213-W241 AromaticContact CG-CD1 3.3Å; F213-W241 HydrophobicContact CG-CD2 4.13Å; F213-W241 AromaticContact CG-CE2 3.98Å; F213-W241 AromaticContact CG-CG 3.74Å; F213-W241 HydrophobicContact CG-CG 3.74Å; F213-W241 AromaticContact CG-NE1 3.45Å; F213-W241 AromaticContact CZ-CD1 3.91Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 2.81Å; W241-Q243 VanDerWaalsContact C-N 3.26Å; W241-Q243 PolarHBondContact O-N 3.45Å; W241-H244 HydrophobicContact CE3-CB 4.14Å; W241-H244 HydrophobicContact CZ3-CB 4.49Å; W241-H244 PolarHBondContact O-N 3.46Å; W241-L245 HydrophobicContact CB-CD1 4.23Å; W241-L245 HydrophobicContact CE3-CD1 4.17Å; W241-L245 HydrophobicContact CE3-CD2 4.22Å; W241-L245 HydrophobicContact CE3-CG 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 4.47Å; W241-L245 VanDerWaalsContact O-CB 3.26Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 WeakPolarHBondContact O-CG 3.45Å; W241-L245 PolarHBondContact O-N 3Å; W241-M250 HydrophobicContact CB-SD 3.81Å
242S97.9Very high97.3Very high3 Ų336 Ų362%0.02119%0.19CC..Hα-helixtrans-57.9-43172.7178.10000111.5S238 Y240 G246 K247 K248 L266S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 2.82Å; Y240-S242 PolarHBondContact O-N 2.91Å; S242-G246 VanDerWaalsContact O-CA 3.32Å; S242-G246 WeakPolarHBondContact O-CA 3.27Å; S242-G246 PolarHBondContact O-N 3.1Å; S242-K247 VanDerWaalsContact CA-O 3.25Å; S242-K247 WeakPolarHBondContact CA-O 3.35Å; S242-K247 WeakPolarHBondContact CB-O 3.37Å; S242-K247 PolarHBondContact O-N 3.01Å; S242-K247 PolarHBondContact OG-O 3.44Å; S242-K248 PolarHBondContact OG-NZ 2.87Å; S242-L266 VanDerWaalsContact CB-CD2 3.44Å; S242-L266 WeakPolarHBondContact OG-CD2 3.42Å
243Q96.8Very high97.6Very high133 Ų13335.2 Ų35.262%0.62118%0.182SC*.Hα-helixtrans-67.6-43.8178.5-65.3174.720.800111.5S239 Y240 W241S239-Q243 WeakPolarHBondContact O-CG 3.45Å; S239-Q243 PolarHBondContact O-N 2.79Å; Y240-Q243 PolarHBondContact O-N 3.09Å; W241-Q243 VanDerWaalsContact C-N 3.26Å; W241-Q243 PolarHBondContact O-N 3.45Å
244H97.1Very high97.6Very high84 Ų8435.2 Ų35.239%0.38918%0.182SC..Hα-helixtrans-76.4-28.2-176-73.182.7000114.4D151 Y240 W241D151-H244 IonicContact OD2-CE1 2.79Å; D151-H244 IonicContact OD2-NE2 2.78Å; Y240-H244 AromaticContact CD1-ND1 4Å; Y240-H244 AromaticContact CD2-CE1 3.72Å; Y240-H244 AromaticContact CD2-ND1 3.89Å; Y240-H244 AromaticContact CE1-CE1 3.99Å; Y240-H244 AromaticContact CE1-ND1 3.74Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.04Å; Y240-H244 AromaticContact CE2-ND1 3.64Å; Y240-H244 AromaticContact CE2-NE2 3.9Å; Y240-H244 AromaticContact CZ-CE1 3.3Å; Y240-H244 AromaticContact CZ-ND1 3.53Å; Y240-H244 AromaticContact CZ-NE2 3.72Å; Y240-H244 PolarHBondContact O-N 3.1Å; Y240-H244 PolarHBondContact O-ND1 3.19Å; Y240-H244 PolarHBondContact OH-CE1 2.78Å; Y240-H244 PolarHBondContact OH-NE2 3.39Å; W241-H244 HydrophobicContact CE3-CB 4.14Å; W241-H244 HydrophobicContact CZ3-CB 4.49Å; W241-H244 PolarHBondContact O-N 3.46Å
245L96.1Very high97.6Very high40 Ų4035.4 Ų35.421%0.20918%0.184CC..Hα-helixtrans-99-13.7179.6-58.9177.3000112.7K201 D212 W241 K247 M250K201-L245 HydrophobicContact CD-CD2 4.49Å; K201-L245 HydrophobicContact CG-CD2 4.41Å; D212-L245 HydrophobicContact CB-CD1 3.81Å; W241-L245 HydrophobicContact CB-CD1 4.23Å; W241-L245 HydrophobicContact CE3-CD1 4.17Å; W241-L245 HydrophobicContact CE3-CD2 4.22Å; W241-L245 HydrophobicContact CE3-CG 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 4.47Å; W241-L245 VanDerWaalsContact O-CB 3.26Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 WeakPolarHBondContact O-CG 3.45Å; W241-L245 PolarHBondContact O-N 3Å; L245-K247 HydrophobicContact CB-CB 4.27Å; L245-K247 HydrophobicContact CB-CD 4.3Å; L245-K247 HydrophobicContact CB-CG 4.1Å; L245-K247 PolarHBondContact O-N 3.34Å; L245-M250 HydrophobicContact CD1-SD 4.09Å
246G96.7Very high97.5Very high71 Ų7136 Ų3673%0.73219%0.188SC*.THydrogen-bonded Turntrans64.727.9-172.400000112.9S242S242-G246 VanDerWaalsContact O-CA 3.32Å; S242-G246 WeakPolarHBondContact O-CA 3.27Å; S242-G246 PolarHBondContact O-N 3.1Å
247K96.6Very high97.4Very high91 Ų9144.2 Ų44.240%0.39623%0.226SC..  trans-116.5151-175-67.7-174-179.3-175.20112.2D212 S242 L245 M250D212-K247 IonicContact OD1-NZ 2.66Å; D212-K247 PolarHBondContact OD1-NZ 3.05Å; S242-K247 VanDerWaalsContact CA-O 3.25Å; S242-K247 WeakPolarHBondContact CA-O 3.35Å; S242-K247 WeakPolarHBondContact CB-O 3.37Å; S242-K247 PolarHBondContact O-N 3.01Å; S242-K247 PolarHBondContact OG-O 3.44Å; L245-K247 HydrophobicContact CB-CB 4.27Å; L245-K247 HydrophobicContact CB-CD 4.3Å; L245-K247 HydrophobicContact CB-CG 4.1Å; L245-K247 PolarHBondContact O-N 3.34Å; K247-M250 HydrophobicContact CB-CG 3.91Å; K247-M250 HydrophobicContact CB-SD 4.46Å
248K97.9Very high97.3Very high121 Ų12146.9 Ų46.953%0.52624%0.236SC..SBendtrans-110.7-31.5171.7-60.6-62.3172.1-165.30112.5S242 S265 L266S242-K248 PolarHBondContact OG-NZ 2.87Å; K248-S265 WeakPolarHBondContact O-CA 3.5Å; K248-L266 HydrophobicContact CB-CB 4.31Å; K248-L266 HydrophobicContact CD-CB 3.8Å; K248-L266 HydrophobicContact CD-CD2 4.04Å; K248-L266 PolarHBondContact O-N 3.36Å
249E97.4Very high97.3Very high126 Ų12647.1 Ų47.159%0.58924%0.239SC*.EExtended strand (participates in β ladder)trans-94.2125.5167.3-60.4-57.3145.300109.2I264 S265E249-I264 CarbonylContact C-O 3.59Å; E249-I264 WeakPolarHBondContact CA-O 3.33Å; E249-S265 WeakPolarHBondContact OE1-CB 3.36Å; E249-S265 PolarHBondContact OE1-OG 3.49Å; E249-S265 WeakPolarHBondContact OE2-CB 3.45Å
250M97.1Very high97.2Very high9 Ų946.8 Ų46.84%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-141.7154.7179.2-66.4176.2-70.900111.3D212 F213 S238 W241 L245 K247 I264 L266D212-M250 HydrophobicContact CB-CB 4.15Å; D212-M250 HydrophobicContact CB-CG 4.34Å; D212-M250 VanDerWaalsContact OD2-CA 3.24Å; D212-M250 WeakPolarHBondContact OD2-CA 3.16Å; F213-M250 HydrophobicContact CE1-CB 4.41Å; F213-M250 HydrophobicContact CE1-SD 4.27Å; S238-M250 WeakPolarHBondContact O-CE 3.12Å; W241-M250 HydrophobicContact CB-SD 3.81Å; L245-M250 HydrophobicContact CD1-SD 4.09Å; K247-M250 HydrophobicContact CB-CG 3.91Å; K247-M250 HydrophobicContact CB-SD 4.46Å; M250-I264 HydrophobicContact CB-CB 4.21Å; M250-I264 HydrophobicContact CE-CG2 3.92Å; M250-I264 PolarHBondContact N-O 3.39Å; M250-I264 PolarHBondContact O-N 2.68Å; M250-L266 HydrophobicContact CE-CD1 3.74Å
251H96.1Very high97.1Very high24 Ų2450.4 Ų50.411%0.11125%0.253CS..EExtended strand (participates in β ladder)trans-119.8124.8172.2-164.6-152.9000110.5Q209 F211 D212 E261 L262Q209-H251 PolarHBondContact NE2-CE1 2.83Å; Q209-H251 VanDerWaalsContact NE2-CE1 3.31Å; Q209-H251 PolarHBondContact NE2-ND1 2.75Å; F211-H251 CarbonylContact C-O 3.41Å; F211-H251 WeakPolarHBondContact CA-O 3.39Å; F211-H251 HydrophobicContact CD1-CB 4.46Å; F211-H251 AromaticContact CD1-CE1 3.8Å; F211-H251 AromaticContact CD1-CG 3.82Å; F211-H251 AromaticContact CD1-ND1 3.52Å; F211-H251 AromaticContact CE1-CE1 3.27Å; F211-H251 WeakPolarHBondContact CE1-CE1 3.41Å; F211-H251 AromaticContact CE1-ND1 3.49Å; F211-H251 WeakPolarHBondContact CE1-ND1 3.43Å; F211-H251 AromaticContact CE1-NE2 3.73Å; D212-H251 PolarHBondContact N-O 3.28Å; D212-H251 PolarHBondContact OD2-N 2.87Å; H251-E261 IonicContact CE1-OE2 3.21Å; H251-E261 IonicContact NE2-OE2 3.39Å; H251-L262 PolarHBondContact CD2-O 3.2Å
252A97.9Very high97.1Very high0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-119.9151.3-17500000112.1F213 E261 L262 I264F213-A252 HydrophobicContact CD1-CB 4.3Å; F213-A252 HydrophobicContact CD2-CB 3.95Å; F213-A252 HydrophobicContact CE1-CB 3.83Å; F213-A252 HydrophobicContact CE2-CB 3.4Å; F213-A252 VanDerWaalsContact CE2-CB 3.4Å; F213-A252 HydrophobicContact CG-CB 4.37Å; F213-A252 HydrophobicContact CZ-CB 3.37Å; F213-A252 WeakPolarHBondContact O-CA 3.31Å; A252-E261 WeakPolarHBondContact O-CA 3.47Å; A252-L262 HydrophobicContact CB-CB 4.5Å; A252-L262 PolarHBondContact N-O 2.97Å; A252-L262 PolarHBondContact O-N 2.7Å; A252-I264 HydrophobicContact CB-CD1 3.79Å
253F97.6Very high97Very high22 Ų2250.8 Ų50.810%0.09626%0.258CS..EExtended strand (participates in β ladder)trans-127.7124170.4-167.3-80.4000111R171 F211 F213 Y214 S215 G260 E261R171-F253 VanDerWaalsContact NH2-CZ 3.28Å; F211-F253 HydrophobicContact CD1-CB 3.71Å; F211-F253 HydrophobicContact CD2-CB 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.77Å; F211-F253 AromaticContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CG 4.33Å; F211-F253 HydrophobicContact CE2-CB 4.15Å; F211-F253 AromaticContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CG 4.35Å; F211-F253 HydrophobicContact CG-CB 3.86Å; F211-F253 HydrophobicContact CZ-CB 4.01Å; F211-F253 AromaticContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CE2 4.43Å; F211-F253 HydrophobicContact CZ-CG 4.17Å; F213-F253 PolarHBondContact O-N 3.42Å; Y214-F253 CarbonylContact C-O 3.59Å; Y214-F253 VanDerWaalsContact CA-O 3.3Å; Y214-F253 WeakPolarHBondContact CA-O 3.43Å; Y214-F253 HydrophobicContact CD1-CB 3.93Å; Y214-F253 HydrophobicContact CE1-CB 4.19Å; S215-F253 PolarHBondContact N-O 2.88Å; F253-G260 CarbonylContact C-O 3.55Å; F253-G260 VanDerWaalsContact CA-O 3.3Å; F253-G260 WeakPolarHBondContact CA-O 3.34Å; F253-E261 HydrophobicContact CD2-CB 4.49Å; F253-E261 HydrophobicContact CD2-CG 3.63Å; F253-E261 HydrophobicContact CE2-CG 3.72Å
254Q98.4Very high97.1Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-86.8112171-170.7161.7-35.900109.3S215 D227 P228 V229 T230 H234 S256 G259 G260S215-Q254 CarbonylContact O-C 3.57Å; S215-Q254 VanDerWaalsContact O-CA 3.29Å; S215-Q254 WeakPolarHBondContact O-CA 3.33Å; D227-Q254 PolarHBondContact O-NE2 3.19Å; P228-Q254 PolarHBondContact O-NE2 3.25Å; V229-Q254 VanDerWaalsContact CA-CD 3.5Å; V229-Q254 HydrophobicContact CG1-CB 4.34Å; T230-Q254 PolarHBondContact OG1-NE2 3.34Å; H234-Q254 PolarHBondContact CE1-OE1 3.07Å; Q254-S256 PolarHBondContact O-N 3.13Å; Q254-G259 VanDerWaalsContact O-CA 3.24Å; Q254-G259 WeakPolarHBondContact O-CA 3.24Å; Q254-G260 PolarHBondContact N-O 2.92Å; Q254-G260 PolarHBondContact O-N 2.79Å
255C97.3Very high97.2Very high4 Ų441.8 Ų41.83%0.02722%0.219CC..  trans-80.636.5-173.4-67.40000114.1L174 E175 S215 R216L174-C255 HydrophobicContact CD2-CB 4.33Å; L174-C255 HydrophobicContact CG-CB 4.41Å; E175-C255 HydrophobicContact CG-CB 3.65Å; S215-C255 PolarHBondContact O-N 2.77Å; R216-C255 HydrophobicContact CG-CB 3.92Å
256S97.2Very high97.3Very high13 Ų1340.9 Ų40.99%0.09121%0.214CC..SBendtrans-68.9170.9168.870.10000110.6E226 P228 Q254 R258 G259E226-S256 WeakPolarHBondContact OE1-CA 3.1Å; P228-S256 WeakPolarHBondContact CA-OG 3.45Å; P228-S256 WeakPolarHBondContact O-CB 3.45Å; P228-S256 PolarHBondContact O-OG 3.07Å; Q254-S256 PolarHBondContact O-N 3.13Å; S256-R258 PolarHBondContact O-N 3.25Å; S256-G259 PolarHBondContact O-N 3.4Å; S256-G259 PolarHBondContact OG-N 3.38Å
257H95.7Very high97.3Very high172 Ų17240.8 Ų40.880%0.79619%0.191SC*.SBendtrans-54-38.3174.9179.674.3000112.8R17R17-H257 PolarHBondContact NH1-O 2.84Å
258R97.2Very high97.2Very high56 Ų5643.3 Ų43.321%0.21122%0.217CC..SBendtrans-76.8-39.2176.4-68.9-174.26199.9-5.4111.2D9 F16 R17 G18 P228 S256D9-R258 IonicContact OD1-CZ 2.75Å; D9-R258 IonicContact OD1-NH2 2.79Å; D9-R258 PolarHBondContact OD1-NH2 3.28Å; D9-R258 IonicContact OD2-NH2 3.88Å; D9-R258 PolarHBondContact OD2-NH2 3.3Å; F16-R258 VanDerWaalsContact C-CZ 3.49Å; F16-R258 PolarHBondContact O-NH1 2.75Å; R17-R258 WeakPolarHBondContact CD-O 3.26Å; R17-R258 PolarHBondContact NH1-O 3.42Å; R17-R258 PolarHBondContact O-NH2 2.9Å; G18-R258 WeakPolarHBondContact O-CB 3.46Å; G18-R258 WeakPolarHBondContact O-CD 3.49Å; G18-R258 PolarHBondContact O-NE 2.89Å; P228-R258 HydrophobicContact CB-CB 4.14Å; S256-R258 PolarHBondContact O-N 3.25Å
259G96.9Very high97.1Very high6 Ų642 Ų426%0.06222%0.216CC..  trans72.9144.917900000112.6G18 Q254 S256G18-G259 VanDerWaalsContact CA-O 3.28Å; G18-G259 WeakPolarHBondContact CA-O 3.43Å; G18-G259 PolarHBondContact N-O 3.15Å; Q254-G259 VanDerWaalsContact O-CA 3.24Å; Q254-G259 WeakPolarHBondContact O-CA 3.24Å; S256-G259 PolarHBondContact O-N 3.4Å; S256-G259 PolarHBondContact OG-N 3.38Å
260G97.2Very high96.9Very high1 Ų138.1 Ų38.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-164.9157.8173.200000113.8F11 F253 Q254F11-G260 VanDerWaalsContact O-CA 3.3Å; F11-G260 WeakPolarHBondContact O-CA 3.19Å; F253-G260 CarbonylContact C-O 3.55Å; F253-G260 VanDerWaalsContact CA-O 3.3Å; F253-G260 WeakPolarHBondContact CA-O 3.34Å; Q254-G260 PolarHBondContact N-O 2.92Å; Q254-G260 PolarHBondContact O-N 2.79Å
261E96.1Very high96.9Very high82 Ų8241.1 Ų41.138%0.38322%0.221SC..EExtended strand (participates in β ladder)trans-117.1137.4-168.5-40.8-163.5174.500110.2F11 F211 H251 A252 F253F11-E261 PolarHBondContact O-N 2.58Å; F211-E261 HydrophobicContact CE1-CB 4.35Å; F211-E261 HydrophobicContact CE1-CG 4.33Å; F211-E261 HydrophobicContact CZ-CG 4.36Å; H251-E261 IonicContact CE1-OE2 3.21Å; H251-E261 IonicContact NE2-OE2 3.39Å; A252-E261 WeakPolarHBondContact O-CA 3.47Å; F253-E261 HydrophobicContact CD2-CB 4.49Å; F253-E261 HydrophobicContact CD2-CG 3.63Å; F253-E261 HydrophobicContact CE2-CG 3.72Å
262L97.6Very high96.9Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-134.3121.7-178.5-5090.5000110.4F11 V229 H234 H251 A252 I274 R275F11-L262 HydrophobicContact CD1-CD2 3.71Å; F11-L262 HydrophobicContact CD1-CG 3.8Å; F11-L262 HydrophobicContact CE1-CD2 3.73Å; F11-L262 HydrophobicContact CE1-CG 4.28Å; F11-L262 HydrophobicContact CG-CD2 4.24Å; F11-L262 HydrophobicContact CG-CG 4.3Å; F11-L262 HydrophobicContact CZ-CD2 4.22Å; V229-L262 HydrophobicContact CG1-CD1 3.76Å; V229-L262 HydrophobicContact CG1-CD2 4.03Å; V229-L262 HydrophobicContact CG1-CG 4.16Å; H234-L262 HydrophobicContact CB-CD2 3.98Å; H251-L262 PolarHBondContact CD2-O 3.2Å; A252-L262 HydrophobicContact CB-CB 4.5Å; A252-L262 PolarHBondContact N-O 2.97Å; A252-L262 PolarHBondContact O-N 2.7Å; L262-I274 HydrophobicContact CB-CG2 4.28Å; L262-I274 HydrophobicContact CD2-CG2 3.67Å; L262-R275 CarbonylContact C-O 3.6Å; L262-R275 WeakPolarHBondContact CA-O 3.26Å
263G97Very high96.9Very high11 Ų1141 Ų4111%0.11322%0.221CC..EExtended strand (participates in β ladder)trans-80.5137162.800000109.6I274 R275G263-I274 CarbonylContact O-C 3.57Å; G263-I274 WeakPolarHBondContact O-CA 3.49Å; G263-R275 PolarHBondContact N-O 3.1Å; G263-R275 PolarHBondContact O-N 3.38Å
264I98.1Very high97Very high2 Ų239.9 Ų39.91%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-128.2127.3-174.5-65.8164.1000108.3F213 S238 E249 M250 A252 L266 V272 D273 I274F213-I264 HydrophobicContact CE1-CD1 3.7Å; F213-I264 HydrophobicContact CZ-CD1 3.42Å; F213-I264 VanDerWaalsContact CZ-CD1 3.42Å; S238-I264 WeakPolarHBondContact OG-CG2 3.45Å; E249-I264 CarbonylContact C-O 3.59Å; E249-I264 WeakPolarHBondContact CA-O 3.33Å; M250-I264 HydrophobicContact CB-CB 4.21Å; M250-I264 HydrophobicContact CE-CG2 3.92Å; M250-I264 PolarHBondContact N-O 3.39Å; M250-I264 PolarHBondContact O-N 2.68Å; A252-I264 HydrophobicContact CB-CD1 3.79Å; I264-L266 HydrophobicContact CG2-CD1 3.75Å; I264-V272 HydrophobicContact CG2-CG2 3.88Å; I264-D273 WeakPolarHBondContact CA-O 3.48Å; I264-I274 HydrophobicContact CB-CD1 4.49Å; I264-I274 HydrophobicContact CG1-CD1 3.79Å; I264-I274 HydrophobicContact CG2-CD1 4.42Å
265S98.2Very high96.9Very high27 Ų2743.7 Ų43.719%0.18923%0.23CC..EExtended strand (participates in β ladder)trans-128.3116172157.70000109.4K248 E249 D273K248-S265 WeakPolarHBondContact O-CA 3.5Å; E249-S265 WeakPolarHBondContact OE1-CB 3.36Å; E249-S265 PolarHBondContact OE1-OG 3.49Å; E249-S265 WeakPolarHBondContact OE2-CB 3.45Å; S265-D273 PolarHBondContact N-O 2.97Å; S265-D273 PolarHBondContact O-N 3.24Å
266L98.4Very high96.9Very high20 Ų2043.7 Ų43.711%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-80.2127.5172.8-84.471.7000110.3L125 S242 K248 M250 I264 V272L125-L266 HydrophobicContact CD1-CD2 4.48Å; L125-L266 HydrophobicContact CD1-CG 4.3Å; L125-L266 HydrophobicContact CD2-CD2 4.12Å; L125-L266 HydrophobicContact CD2-CG 4.42Å; S242-L266 VanDerWaalsContact CB-CD2 3.44Å; S242-L266 WeakPolarHBondContact OG-CD2 3.42Å; K248-L266 HydrophobicContact CB-CB 4.31Å; K248-L266 HydrophobicContact CD-CB 3.8Å; K248-L266 HydrophobicContact CD-CD2 4.04Å; K248-L266 PolarHBondContact O-N 3.36Å; M250-L266 HydrophobicContact CE-CD1 3.74Å; I264-L266 HydrophobicContact CG2-CD1 3.75Å; L266-V272 HydrophobicContact CD1-CG2 4.3Å
267R97Very high96.9Very high69 Ų6943.9 Ų43.926%0.2624%0.236SC..  trans-92.7151.6-178.5-66.5166.949.8160.9-1.6112D122 D269 G270 R271 D273D122-R267 IonicContact OD1-NH1 2.77Å; D122-R267 PolarHBondContact OD1-NH1 3.19Å; D122-R267 IonicContact OD2-CZ 2.68Å; D122-R267 IonicContact OD2-NH1 3.42Å; D122-R267 PolarHBondContact OD2-NH1 3.04Å; D122-R267 IonicContact OD2-NH2 3.96Å; R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.73Å; R267-D269 IonicContact CZ-OD2 2.84Å; R267-D269 IonicContact NE-OD1 2.83Å; R267-D269 PolarHBondContact NE-OD1 2.97Å; R267-D269 VanDerWaalsContact NE-OD1 3.09Å; R267-D269 IonicContact NE-OD2 3.81Å; R267-D269 PolarHBondContact NE-OD2 3.37Å; R267-D269 IonicContact NH2-OD1 3.3Å; R267-D269 IonicContact NH2-OD2 3.64Å; R267-D269 PolarHBondContact NH2-OD2 2.83Å; R267-D269 PolarHBondContact O-N 2.88Å; R267-G270 PolarHBondContact O-N 3.14Å; R267-R271 WeakPolarHBondContact CB-O 3.14Å; R267-R271 PolarHBondContact N-O 2.88Å; R267-D273 IonicContact NH1-OD1 3.81Å
268P95Very high97Very high145 Ų14536.5 Ų36.594%0.94220%0.204SC*.THydrogen-bonded Turntrans-61.6-23.4176.8-24.334.7000114.7G270P268-G270 PolarHBondContact O-N 3.27Å
269D95.3Very high97Very high92 Ų9234.6 Ų34.649%0.49220%0.2SC..THydrogen-bonded Turntrans-84.112.8179.865.5-13.6000113.7R267 R271R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.73Å; R267-D269 IonicContact CZ-OD2 2.84Å; R267-D269 IonicContact NE-OD1 2.83Å; R267-D269 PolarHBondContact NE-OD1 2.97Å; R267-D269 VanDerWaalsContact NE-OD1 3.09Å; R267-D269 IonicContact NE-OD2 3.81Å; R267-D269 PolarHBondContact NE-OD2 3.37Å; R267-D269 IonicContact NH2-OD1 3.3Å; R267-D269 IonicContact NH2-OD2 3.64Å; R267-D269 PolarHBondContact NH2-OD2 2.83Å; R267-D269 PolarHBondContact O-N 2.88Å; D269-R271 VanDerWaalsContact C-N 3.34Å; D269-R271 PolarHBondContact OD1-N 3.36Å
270G93.6Very high97.1Very high45 Ų4535.9 Ų35.946%0.46421%0.207SC..SBendtrans78.117.6177.400000114L125 R267 P268L125-G270 VanDerWaalsContact CB-O 3.25Å; L125-G270 WeakPolarHBondContact CB-O 3.43Å; R267-G270 PolarHBondContact O-N 3.14Å; P268-G270 PolarHBondContact O-N 3.27Å
271R96.2Very high97.1Very high72 Ų7238.4 Ų38.427%0.27222%0.222SC..EExtended strand (participates in β ladder)trans-107.6170.1175.5-61.3-176.961.483.15.3111.3D122 R267 D269D122-R271 VanDerWaalsContact C-NH2 3.32Å; D122-R271 VanDerWaalsContact CG-NH2 3.34Å; D122-R271 PolarHBondContact O-NH2 3.44Å; D122-R271 IonicContact OD1-CZ 3.87Å; D122-R271 IonicContact OD1-NE 3.38Å; D122-R271 PolarHBondContact OD1-NE 3.12Å; D122-R271 IonicContact OD1-NH2 2.8Å; D122-R271 PolarHBondContact OD1-NH2 2.72Å; D122-R271 IonicContact OD2-NE 2.77Å; D122-R271 IonicContact OD2-NH2 3.89Å; R267-R271 WeakPolarHBondContact CB-O 3.14Å; R267-R271 PolarHBondContact N-O 2.88Å; D269-R271 VanDerWaalsContact C-N 3.34Å; D269-R271 PolarHBondContact OD1-N 3.36Å
272V97.9Very high97.2Very high0 Ų038.4 Ų38.40%022%0.224CC..EExtended strand (participates in β ladder)trans-129.3129.9176.665.20000110.7L123 L125 A235 I264 L266 I274L123-V272 HydrophobicContact CB-CG1 4.13Å; L123-V272 PolarHBondContact N-O 3.46Å; L123-V272 PolarHBondContact O-N 3.45Å; L125-V272 HydrophobicContact CB-CB 4.38Å; L125-V272 HydrophobicContact CB-CG1 4.43Å; L125-V272 HydrophobicContact CD1-CB 3.91Å; L125-V272 HydrophobicContact CD1-CG1 4.21Å; L125-V272 HydrophobicContact CD1-CG2 4.41Å; A235-V272 HydrophobicContact CB-CG1 4.21Å; I264-V272 HydrophobicContact CG2-CG2 3.88Å; L266-V272 HydrophobicContact CD1-CG2 4.3Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 4.25Å; V272-I274 HydrophobicContact CG2-CD1 3.64Å; V272-I274 HydrophobicContact CG2-CG1 4.32Å
273D97.9Very high97.2Very high21 Ų2143.8 Ų43.811%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-87.4118.8168.3-78.8-25.8000108.4R113 V120 L121 I264 S265 R267R113-D273 IonicContact CZ-OD2 3.07Å; R113-D273 IonicContact NH2-OD1 3.89Å; R113-D273 PolarHBondContact NH2-OD1 3.31Å; R113-D273 IonicContact NH2-OD2 3.69Å; R113-D273 PolarHBondContact NH2-OD2 3.31Å; V120-D273 HydrophobicContact CG1-CB 3.56Å; L121-D273 WeakPolarHBondContact O-CA 3.37Å; I264-D273 WeakPolarHBondContact CA-O 3.48Å; S265-D273 PolarHBondContact N-O 2.97Å; S265-D273 PolarHBondContact O-N 3.24Å; R267-D273 IonicContact NH1-OD1 3.81Å
274I98Very high97.2Very high0 Ų044.7 Ų44.70%026%0.259CS..EExtended strand (participates in β ladder)trans-108.9112.6174.7-55.9-62.4000108.7F11 L121 L123 H234 L262 G263 I264 V272F11-I274 HydrophobicContact CE1-CG2 3.75Å; F11-I274 HydrophobicContact CZ-CG2 4.32Å; L121-I274 PolarHBondContact N-O 3.47Å; L121-I274 PolarHBondContact O-N 3.19Å; L123-I274 HydrophobicContact CD1-CB 4.32Å; L123-I274 HydrophobicContact CD1-CG1 3.92Å; H234-I274 HydrophobicContact CB-CD1 4.26Å; L262-I274 HydrophobicContact CB-CG2 4.28Å; L262-I274 HydrophobicContact CD2-CG2 3.67Å; G263-I274 CarbonylContact O-C 3.57Å; G263-I274 WeakPolarHBondContact O-CA 3.49Å; I264-I274 HydrophobicContact CB-CD1 4.49Å; I264-I274 HydrophobicContact CG1-CD1 3.79Å; I264-I274 HydrophobicContact CG2-CD1 4.42Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 4.25Å; V272-I274 HydrophobicContact CG2-CD1 3.64Å; V272-I274 HydrophobicContact CG2-CG1 4.32Å
275R97.7Very high97.2Very high79 Ų7948.9 Ų48.930%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-96.2134.9178.6-171.7175.767133.90.2110.9D117 I119 V120 L262 G263D117-R275 VanDerWaalsContact CB-NH1 3.33Å; D117-R275 IonicContact OD2-CZ 3.95Å; D117-R275 IonicContact OD2-NH1 2.69Å; D117-R275 PolarHBondContact OD2-NH1 2.9Å; I119-R275 VanDerWaalsContact O-CA 3.31Å; I119-R275 WeakPolarHBondContact O-CA 3.49Å; V120-R275 HydrophobicContact CG2-CB 4.02Å; V120-R275 HydrophobicContact CG2-CG 3.91Å; L262-R275 CarbonylContact C-O 3.6Å; L262-R275 WeakPolarHBondContact CA-O 3.26Å; G263-R275 PolarHBondContact N-O 3.1Å; G263-R275 PolarHBondContact O-N 3.38Å
276G97.6Very high97.1Very high4 Ų449 Ų494%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-148.7154.6170.900000112.4I119I119-G276 PolarHBondContact N-O 3.48Å; I119-G276 PolarHBondContact O-N 2.67Å
277G96.9Very high96.8Very high18 Ų1852.9 Ų52.919%0.18631%0.308CS..  trans-74.1167.7165.700000111.8F11 T12 L84F11-G277 WeakPolarHBondContact CA-O 3.23Å; F11-G277 PolarHBondContact N-O 3.28Å; T12-G277 PolarHBondContact N-O 3.49Å; T12-G277 VanDerWaalsContact N-O 3.12Å; T12-G277 CarbonylContact O-C 3.55Å; L84-G277 WeakPolarHBondContact CD2-O 3.14Å
278A97.4Very high96.1Very high16 Ų1654.5 Ų54.513%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-142.6135.7166.500000111.7D9 T12 L84 A88D9-A278 VanDerWaalsContact O-CA 3.25Å; D9-A278 WeakPolarHBondContact O-CA 3.36Å; T12-A278 CarbonylContact O-C 3.51Å; T12-A278 WeakPolarHBondContact O-CA 3.44Å; T12-A278 PolarHBondContact O-N 3.14Å; L84-A278 HydrophobicContact CD2-CB 3.7Å; A88-A278 HydrophobicContact CB-CB 3.29Å
279A97.4Very high96.1Very high16 Ų1650 Ų5013%0.13231%0.305CS..EExtended strand (participates in β ladder)trans-109.1113.6171.800000109.9A8 D9 T12 V281A8-A279 CarbonylContact C-O 3.56Å; A8-A279 WeakPolarHBondContact CA-O 3.35Å; D9-A279 HydrophobicContact CB-CB 4.36Å; D9-A279 PolarHBondContact N-O 3.42Å; D9-A279 PolarHBondContact O-N 2.98Å; T12-A279 PolarHBondContact O-N 2.84Å; A279-V281 PolarHBondContact O-N 3.03Å
280V97.8Very high96.2Very high33 Ų3347.7 Ų47.720%0.230%0.295CS..EExtended strand (participates in β ladder)trans-80.9112.4173.1-173.20000108.6F6 I7 A8 V89 K93F6-V280 HydrophobicContact CB-CG1 4.32Å; F6-V280 HydrophobicContact CD1-CG1 4.22Å; I7-V280 CarbonylContact O-C 3.58Å; A8-V280 HydrophobicContact CB-CG2 4.05Å; V89-V280 HydrophobicContact CG2-CG2 4.45Å; K93-V280 HydrophobicContact CD-CG1 4.43Å; K93-V280 HydrophobicContact CG-CB 4.34Å; K93-V280 HydrophobicContact CG-CG1 4.08Å; K93-V280 HydrophobicContact CG-CG2 4.1Å
281V97.9Very high96.3Very high54 Ų5447.9 Ų47.933%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-101.5-23.6-171.3-62.80000113.7I7 D9 A15 A279I7-V281 HydrophobicContact CB-CG2 3.94Å; I7-V281 HydrophobicContact CG2-CG2 3.72Å; I7-V281 WeakPolarHBondContact O-CG2 3.49Å; I7-V281 PolarHBondContact O-N 3.36Å; D9-V281 VanDerWaalsContact OD2-CG1 3.27Å; D9-V281 WeakPolarHBondContact OD2-CG1 3.36Å; A15-V281 HydrophobicContact CB-CG1 3.57Å; A279-V281 PolarHBondContact O-N 3.03Å
282L98.2Very high96.3Very high83 Ų8346.5 Ų46.544%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-137.4144.2176.3-172.6146.5000109.9F6 I7F6-L282 CarbonylContact C-O 3.56Å; F6-L282 WeakPolarHBondContact CA-O 3.16Å; I7-L282 HydrophobicContact CB-CB 3.9Å; I7-L282 HydrophobicContact CD1-CB 4.12Å; I7-L282 HydrophobicContact CD1-CD1 4.2Å; I7-L282 HydrophobicContact CD1-CD2 4.45Å; I7-L282 HydrophobicContact CD1-CG 4.5Å; I7-L282 HydrophobicContact CG1-CB 4.04Å; I7-L282 HydrophobicContact CG1-CD2 4.31Å; I7-L282 PolarHBondContact N-O 3.46Å; I7-L282 PolarHBondContact O-N 2.81Å
283E98.3Very high96.2Very high113 Ų11349.4 Ų49.453%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-142136172.6171.8171-173.200107.6I5 F6 K93I5-E283 CarbonylContact O-C 3.57Å; I5-E283 WeakPolarHBondContact O-CA 3.39Å; F6-E283 HydrophobicContact CD1-CB 3.86Å; F6-E283 HydrophobicContact CD1-CG 3.79Å; F6-E283 HydrophobicContact CE1-CB 4.08Å; F6-E283 VanDerWaalsContact CE1-CD 3.48Å; F6-E283 HydrophobicContact CE1-CG 3.48Å; F6-E283 VanDerWaalsContact CE1-CG 3.48Å; F6-E283 HydrophobicContact CZ-CG 4.32Å; K93-E283 IonicContact NZ-OE2 3.32Å; K93-E283 PolarHBondContact NZ-OE2 3Å
284G97.5Very high96.1Very high30 Ų3051.3 Ų51.331%0.30932%0.317SS..EExtended strand (participates in β ladder)trans-172.2-164.3-177.900000113.1I5I5-G284 PolarHBondContact N-O 3.2Å; I5-G284 PolarHBondContact O-N 3.19Å
285T97.7Very high96Very high89 Ų8954.9 Ų54.955%0.54634%0.34SS..EExtended strand (participates in β ladder)trans-127.9115.4176-57.90000108.9K2 L3K2-T285 HydrophobicContact CB-CG2 3.86Å; K2-T285 HydrophobicContact CG-CG2 4.26Å; L3-T285 CarbonylContact O-C 3.55Å; L3-T285 WeakPolarHBondContact O-CA 3.2Å
286L95.3Very high95.8Very high29 Ų2953.1 Ų53.115%0.15234%0.343CS..EExtended strand (participates in β ladder)trans-70.1131.8170-177.2147000108.8K2 L3 I5 I38 A288K2-L286 WeakPolarHBondContact CA-O 3.14Å; L3-L286 HydrophobicContact CB-CB 4.32Å; L3-L286 PolarHBondContact N-O 3.12Å; L3-L286 PolarHBondContact O-N 2.6Å; I5-L286 HydrophobicContact CB-CB 4.29Å; I5-L286 HydrophobicContact CD1-CB 4.37Å; I5-L286 HydrophobicContact CD1-CD1 3.89Å; I5-L286 HydrophobicContact CG2-CB 4.05Å; I38-L286 HydrophobicContact CB-CD1 4.43Å; I38-L286 HydrophobicContact CD1-CD1 4.42Å; I38-L286 HydrophobicContact CD1-CD2 4.08Å; I38-L286 HydrophobicContact CG1-CD1 4.04Å; I38-L286 HydrophobicContact CG1-CD2 4.2Å; I38-L286 HydrophobicContact CG2-CD1 3.68Å; L286-A288 HydrophobicContact CD2-CB 4.14Å
287T92.7Very high95.7Very high103 Ų10357.2 Ų57.263%0.63237%0.368SS*.EExtended strand (participates in β ladder)trans-121.7125.9176.7-55.70000108.4
288A81.2Confident95.6Very high102 Ų10260.7 Ų60.784%0.84339%0.385SS*.  trans-142.40177.400000110.1M1 L286M1-A288 WeakPolarHBondContact CA-O 3.48Å; M1-A288 WeakPolarHBondContact CB-O 3.38Å; M1-A288 PolarHBondContact N-O 2.91Å; M1-A288 PolarHBondContact O-N 2.8Å; L286-A288 HydrophobicContact CD2-CB 4.14Å

Retrieved 288 of 288 residues in 221.4 ms (Link to these results)

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