A0A087XUX6_POEFO Loading...

GTP-binding nuclear protein Ran

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle. GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis.

AlphaFold DB , UniProt , Accession A0A087XUX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 aa.

Structure Viewer
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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
1M38.1Very low57.3Low224 Ų224120.1 Ų120.1100%1.10363%0.625SS**  0-8.20-68.8-157.8-58.600114.5
2L39Very low58.2Low140 Ų140116.2 Ų116.273%0.73362%0.623SS**  trans-85.2-12.7173.1-80.4159.8000113.9
3E38.3Very low59.1Low186 Ų186111.2 Ų111.287%0.86960%0.596SS**THydrogen-bonded Turntrans-79.8-16.3-172.8-70.5179.1150.900114.7
4E44.1Very low59.3Low190 Ų190112.1 Ų112.189%0.88862%0.616SS**THydrogen-bonded Turntrans-88.7-12.6-177.2-89.1-177.3145.500114.9
5V52.9Low59.9Low98 Ų98115.5 Ų115.559%0.59463%0.628SS**THydrogen-bonded Turntrans-102.6-21.7-170.8-172.80000112.9Q97V5-Q97 PolarHBondContact O-NE2 3.47Å
6V60.8Low60.4Low38 Ų38111.7 Ų111.723%0.2362%0.624CS.*SBendtrans-99.2112.4-177.9-173.60000109.6V8 A22 F24V6-V8 PolarHBondContact O-N 3.4Å; V6-A22 HydrophobicContact CG1-CB 3.6Å; V6-F24 HydrophobicContact CG1-CE1 4.19Å; V6-F24 HydrophobicContact CG1-CZ 3.98Å; V6-F24 HydrophobicContact CG2-CE1 3.92Å; V6-F24 HydrophobicContact CG2-CZ 4.08Å
7K67Low60.9Low143 Ų143112.8 Ų112.862%0.62262%0.623SS**EExtended strand (participates in β ladder)trans-68.4116.5168.5-74.6-175-179.2176.70108.2V23K7-V23 HydrophobicContact CB-CB 4.34Å; K7-V23 WeakPolarHBondContact O-CB 3.24Å; K7-V23 PolarHBondContact O-N 3.11Å
8V68.4Low61.4Low101 Ų101111.7 Ų111.761%0.61262%0.624SS**EExtended strand (participates in β ladder)trans-92.8117.9174.2-176.10000108.4V6 P20 V21V6-V8 PolarHBondContact O-N 3.4Å; V8-P20 HydrophobicContact CG1-CB 3.41Å; V8-P20 VanDerWaalsContact CG1-CB 3.41Å; V8-V21 WeakPolarHBondContact CA-O 3.45Å
9A74.6Confident62.1Low32 Ų32108.3 Ų108.326%0.26461%0.606SS.*EExtended strand (participates in β ladder)trans-101.4167.4167.500000109.7P20 V21 V23A9-P20 CarbonylContact O-C 3.52Å; A9-P20 WeakPolarHBondContact O-CA 3.31Å; A9-V21 PolarHBondContact N-O 3.37Å; A9-V21 PolarHBondContact O-N 2.65Å; A9-V23 HydrophobicContact CB-CG2 3.76Å
10T76.4Confident62.9Low103 Ų103107.2 Ų107.263%0.63260%0.604SS**EExtended strand (participates in β ladder)trans-111.1140.5172.649.50000110.7C18 V19T10-C18 HydrophobicContact CG2-CB 4.44Å; T10-V19 WeakPolarHBondContact CA-O 3.37Å
11M70.2Confident64Low66 Ų66102.1 Ų102.133%0.32558%0.575SS.*EExtended strand (participates in β ladder)trans-129.6144.1168.5-72-165.4-166.500110.3C18 V19 V21 M64 K73M11-C18 CarbonylContact O-C 3.52Å; M11-C18 WeakPolarHBondContact O-CA 3.35Å; M11-V19 PolarHBondContact N-O 3.38Å; M11-V19 WeakPolarHBondContact O-CG2 3.48Å; M11-V19 PolarHBondContact O-N 3.49Å; M11-V21 HydrophobicContact CB-CG2 3.88Å; M11-V21 HydrophobicContact CE-CG1 4.45Å; M11-V21 HydrophobicContact CE-CG2 4.39Å; M11-V21 HydrophobicContact CG-CG2 3.67Å; M11-V21 HydrophobicContact SD-CG2 4.14Å; M11-M64 HydrophobicContact CE-CE 3.58Å; M11-M64 HydrophobicContact CE-CG 4.32Å; M11-M64 HydrophobicContact CE-SD 3.38Å; M11-M64 WeakPolarHBondContact CE-SD 3.47Å; M11-M64 HydrophobicContact SD-CE 3.53Å; M11-M64 VanDerWaalsContact SD-CE 3.53Å; M11-M64 HydrophobicContact SD-SD 4.15Å; M11-K73 HydrophobicContact CE-CD 4.1Å
12A69.1Low66.5Low73 Ų7392.4 Ų92.460%0.60353%0.53SS*.EExtended strand (participates in β ladder)trans-76128172.200000109.8Q17A12-Q17 CarbonylContact C-O 3.56Å; A12-Q17 VanDerWaalsContact CA-O 3.3Å; A12-Q17 WeakPolarHBondContact CA-O 3.27Å
13D70Confident69.1Low52 Ų5286.2 Ų86.228%0.27850%0.498SS..  trans-76.5-178170.574.90.1000111.7M15 G16 Q17 V19D13-M15 PolarHBondContact O-N 3.05Å; D13-M15 VanDerWaalsContact O-N 3.07Å; D13-M15 VanDerWaalsContact OD1-C 3.3Å; D13-M15 WeakPolarHBondContact OD1-CA 3.37Å; D13-M15 PolarHBondContact OD1-N 3.18Å; D13-G16 PolarHBondContact O-N 2.81Å; D13-G16 PolarHBondContact OD1-N 2.71Å; D13-Q17 PolarHBondContact N-O 2.69Å; D13-Q17 PolarHBondContact OD1-N 3.1Å; D13-V19 HydrophobicContact CB-CG2 4.45Å
14S60.7Low71.9Confident124 Ų12477.5 Ų77.587%0.86746%0.457SS*.THydrogen-bonded Turntrans-62.7-13179.355.40000114.2
15M69.3Low74.4Confident162 Ų16269.6 Ų69.680%0.79842%0.42SS*.THydrogen-bonded Turntrans-1055176.4-54.8-169.6-143.700112.4D13D13-M15 PolarHBondContact O-N 3.05Å; D13-M15 VanDerWaalsContact O-N 3.07Å; D13-M15 VanDerWaalsContact OD1-C 3.3Å; D13-M15 WeakPolarHBondContact OD1-CA 3.37Å; D13-M15 PolarHBondContact OD1-N 3.18Å
16G66.8Low76.6Confident55 Ų5565 Ų6557%0.56739%0.392SS*.SBendtrans80.49.3179.600000114.8D13D13-G16 PolarHBondContact O-N 2.81Å; D13-G16 PolarHBondContact OD1-N 2.71Å
17Q69.1Low78.3Confident130 Ų13063.2 Ų63.261%0.60738%0.381SS*.  trans-80.7132.7175.4-76.1-173-12.200111.4A12 D13 V19A12-Q17 CarbonylContact C-O 3.56Å; A12-Q17 VanDerWaalsContact CA-O 3.3Å; A12-Q17 WeakPolarHBondContact CA-O 3.27Å; D13-Q17 PolarHBondContact N-O 2.69Å; D13-Q17 PolarHBondContact OD1-N 3.1Å; Q17-V19 PolarHBondContact O-N 3.12Å
18C70.4Confident79.7Confident94 Ų9456.4 Ų56.464%0.63535%0.352SS*.EExtended strand (participates in β ladder)trans-73.8105.4173.3-77.50000110.6T10 M11T10-C18 HydrophobicContact CG2-CB 4.44Å; M11-C18 CarbonylContact O-C 3.52Å; M11-C18 WeakPolarHBondContact O-CA 3.35Å
19V73.8Confident81Confident46 Ų4651.6 Ų51.628%0.27932%0.323SS..EExtended strand (participates in β ladder)trans-94.8137.7173.3-76.50000111.3T10 M11 D13 Q17T10-V19 WeakPolarHBondContact CA-O 3.37Å; M11-V19 PolarHBondContact N-O 3.38Å; M11-V19 WeakPolarHBondContact O-CG2 3.48Å; M11-V19 PolarHBondContact O-N 3.49Å; D13-V19 HydrophobicContact CB-CG2 4.45Å; Q17-V19 PolarHBondContact O-N 3.12Å
20P78.5Confident82Confident87 Ų8750.1 Ų50.157%0.56531%0.311SS*.EExtended strand (participates in β ladder)trans-66.8138173.527.4-32.2000110.7V8 A9V8-P20 HydrophobicContact CG1-CB 3.41Å; V8-P20 VanDerWaalsContact CG1-CB 3.41Å; A9-P20 CarbonylContact O-C 3.52Å; A9-P20 WeakPolarHBondContact O-CA 3.31Å
21V86.1Confident82.9Confident1 Ų146.2 Ų46.21%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-122.9120.5179.1-174.30000108.3V8 A9 M11 V23 M64 P71 K73V8-V21 WeakPolarHBondContact CA-O 3.45Å; A9-V21 PolarHBondContact N-O 3.37Å; A9-V21 PolarHBondContact O-N 2.65Å; M11-V21 HydrophobicContact CB-CG2 3.88Å; M11-V21 HydrophobicContact CE-CG1 4.45Å; M11-V21 HydrophobicContact CE-CG2 4.39Å; M11-V21 HydrophobicContact CG-CG2 3.67Å; M11-V21 HydrophobicContact SD-CG2 4.14Å; V21-V23 PolarHBondContact O-N 2.91Å; V21-M64 HydrophobicContact CG1-CE 3.98Å; V21-M64 HydrophobicContact CG1-SD 4.21Å; V21-P71 HydrophobicContact CB-CG 4.47Å; V21-P71 HydrophobicContact CG1-CB 4.31Å; V21-P71 HydrophobicContact CG1-CG 4.4Å; V21-P71 HydrophobicContact CG2-CB 4.45Å; V21-P71 HydrophobicContact CG2-CG 3.86Å; V21-K73 HydrophobicContact CG1-CB 4Å
22A90.6Very high83.9Confident19 Ų1944.5 Ų44.516%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-70.3123.2172.700000109.6V6 F24 I72 K73 I182V6-A22 HydrophobicContact CG1-CB 3.6Å; A22-F24 HydrophobicContact CB-CE2 3.8Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; A22-I72 HydrophobicContact CB-CG1 4.45Å; A22-K73 PolarHBondContact O-N 3.3Å; A22-I182 HydrophobicContact CB-CD1 4.44Å
23V94.8Very high85Confident11 Ų1142.3 Ų42.37%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-114.4126.4-178.1-171.30000110.7K7 A9 V21 K73 N75K7-V23 HydrophobicContact CB-CB 4.34Å; K7-V23 WeakPolarHBondContact O-CB 3.24Å; K7-V23 PolarHBondContact O-N 3.11Å; A9-V23 HydrophobicContact CB-CG2 3.76Å; V21-V23 PolarHBondContact O-N 2.91Å; V23-K73 CarbonylContact C-O 3.56Å; V23-K73 WeakPolarHBondContact CA-O 3.42Å; V23-K73 HydrophobicContact CG1-CB 4.36Å; V23-K73 VanDerWaalsContact CG1-CE 3.47Å; V23-K73 HydrophobicContact CG2-CB 4.2Å; V23-N75 WeakPolarHBondContact CG1-ND2 3.28Å
24F96.8Very high86.2Confident2 Ų239.9 Ų39.91%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-120.9134.7178.8-58.3-76.4000111.4V6 A22 L26 I72 K73 Y74 N75 Q97 L181 I182V6-F24 HydrophobicContact CG1-CE1 4.19Å; V6-F24 HydrophobicContact CG1-CZ 3.98Å; V6-F24 HydrophobicContact CG2-CE1 3.92Å; V6-F24 HydrophobicContact CG2-CZ 4.08Å; A22-F24 HydrophobicContact CB-CE2 3.8Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; F24-L26 PolarHBondContact O-N 3.36Å; F24-I72 HydrophobicContact CD2-CG2 3.68Å; F24-I72 HydrophobicContact CE2-CG2 3.74Å; F24-K73 PolarHBondContact N-O 3.22Å; F24-Y74 HydrophobicContact CB-CD1 3.83Å; F24-Y74 HydrophobicContact CB-CE1 3.99Å; F24-Y74 HydrophobicContact CD2-CE1 4.22Å; F24-Y74 HydrophobicContact CG-CE1 4.4Å; F24-Y74 CarbonylContact O-C 3.58Å; F24-Y74 WeakPolarHBondContact O-CA 3.44Å; F24-N75 PolarHBondContact O-N 3.46Å; F24-Q97 VanDerWaalsContact CA-OE1 3.29Å; F24-Q97 HydrophobicContact CD1-CB 4.27Å; F24-L181 HydrophobicContact CB-CD1 4.15Å; F24-L181 HydrophobicContact CD1-CB 4.29Å; F24-L181 HydrophobicContact CD1-CD1 3.81Å; F24-L181 HydrophobicContact CD1-CD2 4.03Å; F24-L181 HydrophobicContact CD1-CG 4.27Å; F24-L181 HydrophobicContact CD2-CD1 4.06Å; F24-L181 HydrophobicContact CE1-CB 3.82Å; F24-L181 HydrophobicContact CE1-CD1 4.19Å; F24-L181 HydrophobicContact CE1-CD2 4.16Å; F24-L181 HydrophobicContact CE1-CG 4.29Å; F24-L181 HydrophobicContact CE2-CB 4.36Å; F24-L181 HydrophobicContact CE2-CD1 4.42Å; F24-L181 HydrophobicContact CG-CD1 3.73Å; F24-L181 HydrophobicContact CZ-CB 3.87Å; F24-L181 HydrophobicContact CZ-CD1 4.49Å; F24-I182 HydrophobicContact CE2-CD1 4.08Å; F24-I182 HydrophobicContact CZ-CD1 3.82Å
25K96.8Very high87.9Confident25 Ų2534.5 Ų34.511%0.10922%0.221CC..EExtended strand (participates in β ladder)trans-77.9116.3165.1178.8171.3171.5175.70108.8W77 Y92 I94 Q97 C98K25-W77 HydrophobicContact CD-CZ2 4.34Å; K25-Y92 WeakPolarHBondContact CE-O 3.3Å; K25-Y92 PolarHBondContact NZ-O 2.93Å; K25-I94 PolarHBondContact NZ-O 3.02Å; K25-Q97 PolarHBondContact O-N 2.83Å; K25-C98 PolarHBondContact O-N 2.9Å
26L97.9Very high89.1Confident1 Ų127.2 Ų27.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-108.7123.5173.7-173.6154.7000108.7F24 L28 Y74 N75 V76 W77 C98 I100 F174 L177F24-L26 PolarHBondContact O-N 3.36Å; L26-L28 HydrophobicContact CD2-CB 4.22Å; L26-Y74 HydrophobicContact CB-CD1 4.06Å; L26-Y74 HydrophobicContact CD1-CD1 3.89Å; L26-Y74 HydrophobicContact CD1-CE1 4.33Å; L26-Y74 HydrophobicContact CD1-CG 4.24Å; L26-N75 PolarHBondContact N-O 3.04Å; L26-V76 HydrophobicContact CB-CG2 4.34Å; L26-V76 HydrophobicContact CD2-CB 4.49Å; L26-V76 HydrophobicContact CD2-CG1 3.88Å; L26-V76 HydrophobicContact CD2-CG2 4.22Å; L26-V76 CarbonylContact O-C 3.6Å; L26-V76 WeakPolarHBondContact O-CA 3.47Å; L26-W77 PolarHBondContact O-N 3.01Å; L26-C98 WeakPolarHBondContact CA-O 3.5Å; L26-I100 HydrophobicContact CD1-CD1 4.04Å; L26-I100 HydrophobicContact CD1-CG1 4.28Å; L26-I100 HydrophobicContact CD2-CB 4.5Å; L26-I100 HydrophobicContact CD2-CD1 4.19Å; L26-I100 HydrophobicContact CD2-CG1 4.2Å; L26-F174 HydrophobicContact CD1-CD1 4.08Å; L26-F174 HydrophobicContact CD1-CE1 3.84Å; L26-L177 HydrophobicContact CD1-CD1 3.59Å; L26-L177 HydrophobicContact CG-CD1 4.46Å
27V96.6Very high90.4Very high0 Ų025.9 Ų25.90%017%0.166CC..EExtended strand (participates in β ladder)trans-97.2128.5172.1-65.70000110.5W77 Y93 A96 C98 A99 I100 L121V27-W77 HydrophobicContact CG1-CB 4.17Å; V27-Y93 HydrophobicContact CB-CD1 4.44Å; V27-Y93 HydrophobicContact CG1-CD1 4.4Å; V27-Y93 HydrophobicContact CG2-CD1 4.42Å; V27-A96 HydrophobicContact CB-CB 4.41Å; V27-A96 HydrophobicContact CG1-CB 3.72Å; V27-A96 HydrophobicContact CG2-CB 3.81Å; V27-C98 PolarHBondContact N-O 2.88Å; V27-C98 VanDerWaalsContact N-O 3.08Å; V27-A99 HydrophobicContact CG2-CB 3.54Å; V27-A99 VanDerWaalsContact O-CA 3.24Å; V27-A99 WeakPolarHBondContact O-CA 3.38Å; V27-A99 WeakPolarHBondContact O-CB 3.44Å; V27-I100 PolarHBondContact O-N 2.84Å; V27-L121 HydrophobicContact CG2-CD1 3.48Å; V27-L121 VanDerWaalsContact CG2-CD1 3.48Å
28L97Very high91.5Very high1 Ų121 Ų211%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-109.5112.6179.6176.260.8000109.3L26 K36 F39 V40 V76 W77 T79 I100 M102L26-L28 HydrophobicContact CD2-CB 4.22Å; L28-K36 HydrophobicContact CD1-CB 4.46Å; L28-K36 HydrophobicContact CD1-CD 4.4Å; L28-K36 HydrophobicContact CD1-CG 4.14Å; L28-K36 HydrophobicContact CD2-CB 3.65Å; L28-K36 HydrophobicContact CD2-CG 4.23Å; L28-K36 HydrophobicContact CG-CB 3.86Å; L28-K36 HydrophobicContact CG-CD 4.01Å; L28-K36 HydrophobicContact CG-CG 3.92Å; L28-F39 HydrophobicContact CD2-CD1 4.43Å; L28-V40 HydrophobicContact CD2-CG2 3.32Å; L28-V76 HydrophobicContact CB-CG1 4.04Å; L28-V76 HydrophobicContact CD2-CG1 4.35Å; L28-W77 PolarHBondContact N-O 3.39Å; L28-T79 PolarHBondContact O-N 2.89Å; L28-T79 PolarHBondContact O-OG1 3.4Å; L28-I100 HydrophobicContact CD1-CB 3.72Å; L28-I100 HydrophobicContact CD1-CG2 3.62Å; L28-M102 HydrophobicContact CD1-CB 4.44Å; L28-M102 HydrophobicContact CD1-CE 4.2Å
29V95.7Very high92.6Very high0 Ų016.6 Ų16.60%012%0.115CC..EExtended strand (participates in β ladder)trans-127.9165.8-171.9-58.80000112K36 T79 Y93 I100 I101 M102 W117V29-K36 VanDerWaalsContact C-CD 3.46Å; V29-T79 HydrophobicContact CG1-CG2 4.43Å; V29-Y93 HydrophobicContact CG1-CE1 3.54Å; V29-I100 PolarHBondContact N-O 2.84Å; V29-I101 HydrophobicContact CG2-CB 4.24Å; V29-I101 HydrophobicContact CG2-CG1 3.73Å; V29-I101 HydrophobicContact CG2-CG2 4.33Å; V29-M102 PolarHBondContact O-N 3.01Å; V29-W117 HydrophobicContact CB-CD2 4.47Å; V29-W117 HydrophobicContact CB-CE3 3.88Å; V29-W117 HydrophobicContact CB-CZ3 4.26Å; V29-W117 HydrophobicContact CG2-CB 4.35Å; V29-W117 HydrophobicContact CG2-CE3 4.46Å
30G95.6Very high93.5Very high1 Ų114.4 Ų14.41%0.0110%0.101CC..  trans135.6168.8-177.400000111.7K36 G81 M102 W117G30-K36 WeakPolarHBondContact O-CE 3.5Å; G30-K36 PolarHBondContact O-NZ 3.03Å; G30-G81 WeakPolarHBondContact O-CA 3.41Å; G30-M102 WeakPolarHBondContact CA-O 3.48Å; G30-W117 VanDerWaalsContact C-CE2 3.46Å; G30-W117 VanDerWaalsContact C-CZ2 3.44Å; G30-W117 WeakPolarHBondContact O-CZ2 3.22Å
31D94.4Very high94Very high21 Ų2113.3 Ų13.311%0.1129%0.088CC..  trans-57.2159.6-174.8-77.115.4000113.8T34 K36 G81 T110 N113 W117D31-T34 HydrophobicContact CB-CG2 3.84Å; D31-T34 WeakPolarHBondContact O-CG2 3.39Å; D31-T34 PolarHBondContact O-OG1 3.07Å; D31-K36 PolarHBondContact O-NZ 2.78Å; D31-G81 CarbonylContact C-O 3.49Å; D31-T110 HydrophobicContact CB-CG2 3.84Å; D31-T110 WeakPolarHBondContact OD2-CA 3.36Å; D31-N113 WeakPolarHBondContact OD1-CB 3.34Å; D31-N113 PolarHBondContact OD2-ND2 3.37Å; D31-W117 PolarHBondContact OD1-NE1 3.23Å
32G92.3Very high94.1Very high29 Ų2913.3 Ų13.330%0.2999%0.088SC..THydrogen-bonded Turntrans-58.5140.6170.800000111.2T34 G81G32-T34 VanDerWaalsContact C-N 3.27Å; G32-T34 PolarHBondContact O-N 3.48Å; G32-G81 PolarHBondContact N-O 2.8Å
33G92.1Very high93.8Very high28 Ų2813.4 Ų13.429%0.2899%0.085SC..THydrogen-bonded Turntrans771.1176.700000116.1G35 K136G33-G35 PolarHBondContact O-N 3.18Å; G33-K136 WeakPolarHBondContact O-CE 3.18Å; G33-K136 PolarHBondContact O-NZ 3.25Å
34T95.9Very high93.3Very high0 Ų016.6 Ų16.60%010%0.101CC..SBendtrans-68.6-18.6176.656.80000113.7D31 G32 D104 T110 N135D31-T34 HydrophobicContact CB-CG2 3.84Å; D31-T34 WeakPolarHBondContact O-CG2 3.39Å; D31-T34 PolarHBondContact O-OG1 3.07Å; G32-T34 VanDerWaalsContact C-N 3.27Å; G32-T34 PolarHBondContact O-N 3.48Å; T34-D104 HydrophobicContact CG2-CB 4.3Å; T34-T110 HydrophobicContact CG2-CG2 3.87Å; T34-N135 PolarHBondContact O-ND2 2.92Å
35G94.9Very high92.5Very high12 Ų1220.4 Ų20.412%0.12413%0.125CC..SBendtrans105.417175.500000115.4G33 T38 F39G33-G35 PolarHBondContact O-N 3.18Å; G35-T38 PolarHBondContact O-N 3.26Å; G35-F39 WeakPolarHBondContact O-CB 3.45Å; G35-F39 PolarHBondContact O-N 3.22Å
36K95.2Very high91.4Very high9 Ų919.4 Ų19.44%0.03912%0.121CC..Hα-helixtrans-51.9-57178.3-62.4-175.2-53-72.80113.2L28 V29 G30 D31 T38 F39 V40 D78 T79 M102L28-K36 HydrophobicContact CD1-CB 4.46Å; L28-K36 HydrophobicContact CD1-CD 4.4Å; L28-K36 HydrophobicContact CD1-CG 4.14Å; L28-K36 HydrophobicContact CD2-CB 3.65Å; L28-K36 HydrophobicContact CD2-CG 4.23Å; L28-K36 HydrophobicContact CG-CB 3.86Å; L28-K36 HydrophobicContact CG-CD 4.01Å; L28-K36 HydrophobicContact CG-CG 3.92Å; V29-K36 VanDerWaalsContact C-CD 3.46Å; G30-K36 WeakPolarHBondContact O-CE 3.5Å; G30-K36 PolarHBondContact O-NZ 3.03Å; D31-K36 PolarHBondContact O-NZ 2.78Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.31Å; K36-F39 WeakPolarHBondContact O-CB 3.32Å; K36-F39 PolarHBondContact O-N 3.02Å; K36-F39 VanDerWaalsContact O-N 3.11Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.97Å; K36-D78 VanDerWaalsContact CB-OD1 3.31Å; K36-D78 WeakPolarHBondContact CB-OD1 3.33Å; K36-T79 WeakPolarHBondContact CE-O 3.33Å; K36-M102 HydrophobicContact CG-CB 4.08Å; K36-M102 HydrophobicContact CG-SD 4.06Å
37T93.2Very high90.2Very high27 Ų2725.9 Ų25.917%0.16615%0.151CC..Hα-helixtrans-60.5-41.5179-46.70000112.3F39 V40 K41 T55 D78T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.1Å; T37-V40 PolarHBondContact O-N 2.98Å; T37-K41 HydrophobicContact CG2-CD 4.15Å; T37-K41 HydrophobicContact CG2-CG 4.24Å; T37-K41 WeakPolarHBondContact O-CB 3.08Å; T37-K41 WeakPolarHBondContact O-CG 3.26Å; T37-K41 PolarHBondContact O-N 2.9Å; T37-T55 PolarHBondContact OG1-OG1 3.21Å; T37-D78 VanDerWaalsContact CA-OD2 3.22Å; T37-D78 WeakPolarHBondContact CA-OD2 3.35Å; T37-D78 VanDerWaalsContact CB-OD2 3.22Å; T37-D78 WeakPolarHBondContact CB-OD2 3.44Å; T37-D78 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D78 PolarHBondContact OG1-OD2 2.66Å
38T93.1Very high89.2Confident27 Ų2728.3 Ų28.317%0.16616%0.162CC..Hα-helixtrans-62.7-41.4175.6-50.60000111.6G35 K36 V40 R42 F48 A164G35-T38 PolarHBondContact O-N 3.26Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.31Å; T38-V40 VanDerWaalsContact C-N 3.35Å; T38-R42 WeakPolarHBondContact O-CB 3.37Å; T38-R42 PolarHBondContact O-N 3.14Å; T38-F48 HydrophobicContact CG2-CD2 3.49Å; T38-F48 VanDerWaalsContact CG2-CD2 3.49Å; T38-F48 HydrophobicContact CG2-CE2 3.44Å; T38-F48 VanDerWaalsContact CG2-CE2 3.44Å; T38-F48 HydrophobicContact CG2-CG 4.4Å; T38-F48 HydrophobicContact CG2-CZ 4.29Å; T38-A164 HydrophobicContact CG2-CB 4.29Å
39F93.8Very high88.2Confident1 Ų132 Ų320%0.00418%0.179CC..Hα-helixtrans-62.8-40.4176.4177.6-99.4000111.9L28 G35 K36 T37 H43 I100 M102 I162 A164 F170 P173 F174L28-F39 HydrophobicContact CD2-CD1 4.43Å; G35-F39 WeakPolarHBondContact O-CB 3.45Å; G35-F39 PolarHBondContact O-N 3.22Å; K36-F39 WeakPolarHBondContact O-CB 3.32Å; K36-F39 PolarHBondContact O-N 3.02Å; K36-F39 VanDerWaalsContact O-N 3.11Å; T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.1Å; F39-H43 AromaticContact CE2-CE1 3.83Å; F39-H43 AromaticContact CZ-CE1 3.72Å; F39-H43 PolarHBondContact O-ND1 3.03Å; F39-I100 HydrophobicContact CE1-CD1 4.14Å; F39-M102 HydrophobicContact CB-CE 3.79Å; F39-M102 HydrophobicContact CD1-CE 3.92Å; F39-M102 HydrophobicContact CD2-CE 4.19Å; F39-M102 HydrophobicContact CG-CE 3.72Å; F39-I162 HydrophobicContact CD2-CD1 3.75Å; F39-I162 HydrophobicContact CE2-CD1 3.69Å; F39-I162 HydrophobicContact CZ-CD1 4.46Å; F39-A164 HydrophobicContact CB-CB 4.28Å; F39-F170 AromaticContact CD2-CD2 3.59Å; F39-F170 HydrophobicContact CD2-CD2 3.59Å; F39-F170 AromaticContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CZ 4.22Å; F39-F170 AromaticContact CE2-CD2 3.54Å; F39-F170 HydrophobicContact CE2-CD2 3.54Å; F39-F170 AromaticContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CG 4.3Å; F39-F170 HydrophobicContact CG-CE2 4.08Å; F39-F170 WeakPolarHBondContact O-CZ 3.37Å; F39-P173 HydrophobicContact CZ-CG 4.41Å; F39-F174 AromaticContact CE1-CE2 3.43Å; F39-F174 HydrophobicContact CE1-CE2 3.43Å; F39-F174 VanDerWaalsContact CE1-CE2 3.43Å; F39-F174 AromaticContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CZ-CD2 4.24Å; F39-F174 AromaticContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CE2 3.41Å; F39-F174 VanDerWaalsContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CZ 4.12Å
40V92.6Very high87.3Confident0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-72.4-54.2177.4176.60000111.6L28 K36 T37 T38 R42 H43 I44 H61 V76 D78L28-V40 HydrophobicContact CD2-CG2 3.32Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.97Å; T37-V40 PolarHBondContact O-N 2.98Å; T38-V40 VanDerWaalsContact C-N 3.35Å; V40-R42 PolarHBondContact O-N 2.99Å; V40-R42 VanDerWaalsContact O-N 3.16Å; V40-H43 WeakPolarHBondContact O-CB 3.43Å; V40-H43 PolarHBondContact O-N 3.49Å; V40-I44 HydrophobicContact CG1-CD1 4.11Å; V40-I44 PolarHBondContact O-N 3.18Å; V40-H61 HydrophobicContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CG 3.5Å; V40-V76 HydrophobicContact CG1-CG1 4.48Å; V40-V76 HydrophobicContact CG2-CG1 3.67Å; V40-D78 HydrophobicContact CG2-CB 4.43Å
41K89Confident86.6Confident65 Ų6546.8 Ų46.828%0.28324%0.243SC..Hα-helixtrans-54.8-38.5-179.1-77.3-172.1173.7-169.40112.1T37 H43 I44 T45 E49T37-K41 HydrophobicContact CG2-CD 4.15Å; T37-K41 HydrophobicContact CG2-CG 4.24Å; T37-K41 WeakPolarHBondContact O-CB 3.08Å; T37-K41 WeakPolarHBondContact O-CG 3.26Å; T37-K41 PolarHBondContact O-N 2.9Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.26Å; K41-I44 WeakPolarHBondContact O-CA 3.3Å; K41-I44 WeakPolarHBondContact O-CB 3.1Å; K41-I44 PolarHBondContact O-N 2.94Å; K41-T45 PolarHBondContact O-N 3.16Å; K41-T45 PolarHBondContact O-OG1 3.29Å; K41-E49 IonicContact NZ-OE2 2.9Å; K41-E49 PolarHBondContact NZ-OE2 3.41Å
42R87.3Confident86Confident1 Ų152.3 Ų52.30%0.00426%0.263CS..Hα-helixtrans-69.3-22.6179.7-176.5145.1167.6178.5-7.6113.8T38 V40 I44 G46 F48 A164 K165 N167 F170 L195 P198T38-R42 WeakPolarHBondContact O-CB 3.37Å; T38-R42 PolarHBondContact O-N 3.14Å; V40-R42 PolarHBondContact O-N 2.99Å; V40-R42 VanDerWaalsContact O-N 3.16Å; R42-I44 VanDerWaalsContact C-N 3.35Å; R42-G46 WeakPolarHBondContact O-CA 3.39Å; R42-G46 PolarHBondContact O-N 3.48Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; R42-A164 WeakPolarHBondContact CD-O 3.21Å; R42-A164 PolarHBondContact NE-O 3.09Å; R42-A164 VanDerWaalsContact NE-O 3.1Å; R42-A164 PolarHBondContact NH1-O 3.18Å; R42-K165 VanDerWaalsContact NH1-C 3.28Å; R42-K165 PolarHBondContact NH1-O 3.12Å; R42-K165 VanDerWaalsContact NH2-C 3.29Å; R42-K165 PolarHBondContact NH2-O 2.89Å; R42-N167 PolarHBondContact NE-OD1 3.06Å; R42-N167 PolarHBondContact NH2-ND2 3.33Å; R42-N167 PolarHBondContact NH2-OD1 3.3Å; R42-F170 HydrophobicContact CB-CE1 4.4Å; R42-F170 HydrophobicContact CB-CE2 4.43Å; R42-F170 HydrophobicContact CB-CZ 3.66Å; R42-F170 HydrophobicContact CG-CE1 4.11Å; R42-F170 HydrophobicContact CG-CE2 4.43Å; R42-F170 HydrophobicContact CG-CZ 3.7Å; R42-L195 VanDerWaalsContact O-CD2 3.22Å; R42-L195 WeakPolarHBondContact O-CD2 3.24Å; R42-P198 VanDerWaalsContact NH2-CA 3.34Å
43H85.8Confident85.4Confident20 Ų2055.5 Ų55.59%0.09328%0.277CS..Hα-helixtrans-75.2-22.9166.4-75.888.6000113.2F39 V40 K41 L63 F65 F170 F174F39-H43 AromaticContact CE2-CE1 3.83Å; F39-H43 AromaticContact CZ-CE1 3.72Å; F39-H43 PolarHBondContact O-ND1 3.03Å; V40-H43 WeakPolarHBondContact O-CB 3.43Å; V40-H43 PolarHBondContact O-N 3.49Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.26Å; H43-L63 HydrophobicContact CB-CD1 3.72Å; H43-L63 HydrophobicContact CB-CD2 3.78Å; H43-L63 HydrophobicContact CB-CG 4.37Å; H43-F65 AromaticContact CD2-CZ 3.8Å; H43-F170 HydrophobicContact CB-CE1 4.37Å; H43-F170 AromaticContact CD2-CD1 3.9Å; H43-F170 AromaticContact CD2-CE1 3.57Å; H43-F170 AromaticContact CE1-CD1 3.18Å; H43-F170 WeakPolarHBondContact CE1-CD1 3.36Å; H43-F170 AromaticContact CE1-CD2 3.87Å; H43-F170 AromaticContact CE1-CE1 2.91Å; H43-F170 WeakPolarHBondContact CE1-CE1 3.48Å; H43-F170 AromaticContact CE1-CE2 3.62Å; H43-F170 AromaticContact CE1-CG 3.65Å; H43-F170 AromaticContact CE1-CZ 3.12Å; H43-F170 WeakPolarHBondContact CE1-CZ 3.44Å; H43-F170 AromaticContact CG-CE1 3.43Å; H43-F170 VanDerWaalsContact CG-CE1 3.43Å; H43-F170 AromaticContact CG-CZ 3.84Å; H43-F170 AromaticContact ND1-CD1 3.82Å; H43-F170 AromaticContact ND1-CE1 3.04Å; H43-F170 WeakPolarHBondContact ND1-CE1 3.48Å; H43-F170 AromaticContact ND1-CE2 3.86Å; H43-F170 AromaticContact ND1-CZ 3.04Å; H43-F170 WeakPolarHBondContact ND1-CZ 3.5Å; H43-F170 AromaticContact NE2-CD1 3.24Å; H43-F170 WeakPolarHBondContact NE2-CD1 3.25Å; H43-F170 AromaticContact NE2-CE1 3.28Å; H43-F170 VanDerWaalsContact NE2-CE1 3.28Å; H43-F170 WeakPolarHBondContact NE2-CE1 3.46Å; H43-F170 AromaticContact NE2-CG 3.95Å; H43-F170 AromaticContact NE2-CZ 3.97Å; H43-F174 AromaticContact CE1-CE2 3.31Å; H43-F174 WeakPolarHBondContact CE1-CE2 3.34Å; H43-F174 AromaticContact ND1-CE2 3.93Å; H43-F174 AromaticContact NE2-CD2 3.7Å; H43-F174 AromaticContact NE2-CE2 3.38Å; H43-F174 WeakPolarHBondContact NE2-CE2 3.13Å
44I84Confident85Confident79 Ų7955.5 Ų55.541%0.40527%0.274SS..Hα-helixtrans-88.8-57.8-177.2-57170.8000110.8V40 K41 R42 H61 L63V40-I44 HydrophobicContact CG1-CD1 4.11Å; V40-I44 PolarHBondContact O-N 3.18Å; K41-I44 WeakPolarHBondContact O-CA 3.3Å; K41-I44 WeakPolarHBondContact O-CB 3.1Å; K41-I44 PolarHBondContact O-N 2.94Å; R42-I44 VanDerWaalsContact C-N 3.35Å; I44-H61 HydrophobicContact CD1-CB 3.76Å; I44-H61 WeakPolarHBondContact CD1-ND1 3.12Å; I44-L63 HydrophobicContact CD1-CD2 4.28Å; I44-L63 HydrophobicContact CG1-CD2 3.43Å; I44-L63 VanDerWaalsContact CG1-CD2 3.43Å
45T78.6Confident84.3Confident82 Ų8256.1 Ų56.150%0.50328%0.278SS..THydrogen-bonded Turntrans-102.6-11.3-171.163.70000112.4K41 E47K41-T45 PolarHBondContact O-N 3.16Å; K41-T45 PolarHBondContact O-OG1 3.29Å; T45-E47 PolarHBondContact O-N 3.29Å; T45-E47 VanDerWaalsContact O-N 3.11Å; T45-E47 WeakPolarHBondContact OG1-CB 3.38Å; T45-E47 PolarHBondContact OG1-N 2.9Å
46G73.6Confident83.8Confident3 Ų361.8 Ų61.83%0.03130%0.304CS..SBendtrans73.9-17-168.200000113.7R42 A196R42-G46 WeakPolarHBondContact O-CA 3.39Å; R42-G46 PolarHBondContact O-N 3.48Å; G46-A196 WeakPolarHBondContact O-CB 3.37Å
47E73.9Confident83.2Confident138 Ų13862 Ų6265%0.64531%0.31SS*.  trans-77.8148.9-172.5-61.4-17716500112.7T45T45-E47 PolarHBondContact O-N 3.29Å; T45-E47 VanDerWaalsContact O-N 3.11Å; T45-E47 WeakPolarHBondContact OG1-CB 3.38Å; T45-E47 PolarHBondContact OG1-N 2.9Å
48F74.8Confident82.9Confident50 Ų5062.6 Ų62.622%0.21931%0.313CS..  trans-97.4116.2172-175.9-97.2000110.8T38 R42 K50 K165 E199T38-F48 HydrophobicContact CG2-CD2 3.49Å; T38-F48 VanDerWaalsContact CG2-CD2 3.49Å; T38-F48 HydrophobicContact CG2-CE2 3.44Å; T38-F48 VanDerWaalsContact CG2-CE2 3.44Å; T38-F48 HydrophobicContact CG2-CG 4.4Å; T38-F48 HydrophobicContact CG2-CZ 4.29Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; F48-K50 HydrophobicContact CD1-CG 3.79Å; F48-K50 HydrophobicContact CE1-CG 3.96Å; F48-K50 PolarHBondContact O-N 2.93Å; F48-K165 HydrophobicContact CD2-CB 4.35Å; F48-K165 HydrophobicContact CD2-CG 4.27Å; F48-K165 HydrophobicContact CE1-CG 4.37Å; F48-K165 HydrophobicContact CE2-CB 3.75Å; F48-K165 HydrophobicContact CE2-CG 3.82Å; F48-K165 HydrophobicContact CZ-CB 4.17Å; F48-K165 HydrophobicContact CZ-CD 4.23Å; F48-K165 HydrophobicContact CZ-CG 3.88Å; F48-E199 HydrophobicContact CB-CG 3.77Å; F48-E199 HydrophobicContact CD1-CG 4.17Å; F48-E199 WeakPolarHBondContact CD1-OE1 3.44Å; F48-E199 WeakPolarHBondContact CD1-OE2 3.32Å; F48-E199 HydrophobicContact CG-CG 4.12Å
49E76.4Confident82.8Confident79 Ų7965.2 Ų65.237%0.36932%0.324SS..  trans-77.1106.8174-174.777.4-11600110.1K41 K51K41-E49 IonicContact NZ-OE2 2.9Å; K41-E49 PolarHBondContact NZ-OE2 3.41Å; E49-K51 WeakPolarHBondContact CG-O 3.34Å
50K76Confident82.8Confident162 Ų16268.6 Ų68.670%0.70434%0.344SS*.  trans-74.7-29.1177-66-177.7-175.6176.60113.1F48 E199F48-K50 HydrophobicContact CD1-CG 3.79Å; F48-K50 HydrophobicContact CE1-CG 3.96Å; F48-K50 PolarHBondContact O-N 2.93Å; K50-E199 VanDerWaalsContact CE-CD 3.41Å; K50-E199 WeakPolarHBondContact CE-OE1 3.35Å; K50-E199 VanDerWaalsContact CE-OE2 3.24Å; K50-E199 WeakPolarHBondContact CE-OE2 3.4Å; K50-E199 IonicContact NZ-OE1 3.51Å
51K82.1Confident82.8Confident149 Ų14970 Ų7065%0.64835%0.351SS*.SBendtrans-87.3120.6-176-171.3177.9179.9-178.70109.6E49 V53E49-K51 WeakPolarHBondContact CG-O 3.34Å; K51-V53 HydrophobicContact CD-CG2 4.25Å; K51-V53 HydrophobicContact CG-CG2 4.18Å; K51-V53 PolarHBondContact O-N 3.01Å; K51-V53 VanDerWaalsContact O-N 3.16Å
52Y80.6Confident83Confident138 Ų13870.9 Ų70.954%0.54136%0.363SS..  trans-71.7112.6169178.5-113.5000109.8A54Y52-A54 HydrophobicContact CE1-CB 4.29Å
53V81.5Confident83.3Confident95 Ų9571 Ų7158%0.57636%0.364SS*.  trans-115.8123.1165.1-177.40000106.3K51 T55K51-V53 HydrophobicContact CD-CG2 4.25Å; K51-V53 HydrophobicContact CG-CG2 4.18Å; K51-V53 PolarHBondContact O-N 3.01Å; K51-V53 VanDerWaalsContact O-N 3.16Å; V53-T55 PolarHBondContact O-N 2.68Å
54A83.6Confident83.6Confident28 Ų2873 Ų7323%0.23137%0.373CS..  trans-69.4129.6-179.400000110.5Y52 L56Y52-A54 HydrophobicContact CE1-CB 4.29Å; A54-L56 PolarHBondContact O-N 2.89Å
55T80.4Confident83.9Confident14 Ų1469.4 Ų69.49%0.08636%0.355CS..  trans-60.9131.8171.6-39.30000109.9T37 V53 E59 A80T37-T55 PolarHBondContact OG1-OG1 3.21Å; V53-T55 PolarHBondContact O-N 2.68Å; T55-E59 HydrophobicContact CG2-CG 4.17Å; T55-A80 WeakPolarHBondContact O-CB 3.36Å
56L83.6Confident84.6Confident130 Ų13070.2 Ų70.268%0.68135%0.353SS*.  trans-98.4109.2174.5-62.1178.3000108.6A54 V58 F85A54-L56 PolarHBondContact O-N 2.89Å; L56-V58 PolarHBondContact O-N 3.29Å; L56-F85 HydrophobicContact CD2-CE1 4.35Å; L56-F85 HydrophobicContact CD2-CE2 4.18Å; L56-F85 HydrophobicContact CD2-CZ 3.7Å
57G82.8Confident85.5Confident15 Ų1570.4 Ų70.416%0.15535%0.354CS..SBendtrans72.4-106-177.900000112.7A80G57-A80 WeakPolarHBondContact O-CB 3.43Å; G57-A80 PolarHBondContact O-N 2.96Å
58V88.1Confident86.4Confident39 Ų3966.5 Ų66.524%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-143.9141.2-178.366.90000111.4L56 W77 D78 T79 Y92L56-V58 PolarHBondContact O-N 3.29Å; V58-W77 HydrophobicContact CG1-CE3 4.43Å; V58-W77 HydrophobicContact CG2-CB 3.91Å; V58-W77 HydrophobicContact CG2-CD2 4.37Å; V58-W77 HydrophobicContact CG2-CE3 3.89Å; V58-W77 HydrophobicContact CG2-CG 4.45Å; V58-D78 WeakPolarHBondContact CA-O 3.35Å; V58-D78 WeakPolarHBondContact CG2-O 3.48Å; V58-T79 HydrophobicContact CG2-CG2 4.24Å; V58-Y92 HydrophobicContact CB-CD1 4.09Å; V58-Y92 HydrophobicContact CB-CD2 4.39Å; V58-Y92 HydrophobicContact CB-CE1 3.98Å; V58-Y92 HydrophobicContact CB-CE2 4.29Å; V58-Y92 HydrophobicContact CB-CG 4.3Å; V58-Y92 HydrophobicContact CG1-CD1 3.68Å; V58-Y92 HydrophobicContact CG1-CE1 3.38Å; V58-Y92 HydrophobicContact CG1-CG 4.39Å
59E90.7Very high87.2Confident82 Ų8270.8 Ų70.838%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-116.9137.6165.8-66-178-174.500109.7T55 H61 D78T55-E59 HydrophobicContact CG2-CG 4.17Å; E59-H61 VanDerWaalsContact CB-NE2 3.32Å; E59-H61 WeakPolarHBondContact CB-NE2 3.33Å; E59-H61 IonicContact OE2-CE1 3.43Å; E59-H61 IonicContact OE2-NE2 3.25Å; E59-H61 PolarHBondContact OE2-NE2 2.84Å; E59-D78 PolarHBondContact N-O 3.1Å; E59-D78 PolarHBondContact O-N 3.34Å
60V93.1Very high87.9Confident72 Ų7268.5 Ų68.544%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-107.5121.9-179.4-175.70000110N75 V76 W77V60-N75 HydrophobicContact CG1-CB 4.27Å; V60-V76 CarbonylContact C-O 3.56Å; V60-V76 WeakPolarHBondContact CA-O 3.45Å; V60-W77 HydrophobicContact CG2-CD2 3.82Å; V60-W77 HydrophobicContact CG2-CE3 4.33Å; V60-W77 HydrophobicContact CG2-CG 4.04Å; V60-W77 HydrophobicContact CG2-CZ2 4.24Å
61H93.5Very high88.7Confident30 Ų3062.1 Ų62.114%0.13933%0.325CS..EExtended strand (participates in β ladder)trans-122.9113.4-173.6-67.7-75.7000110.5V40 I44 E59 L63 V76V40-H61 HydrophobicContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CG 3.5Å; I44-H61 HydrophobicContact CD1-CB 3.76Å; I44-H61 WeakPolarHBondContact CD1-ND1 3.12Å; E59-H61 VanDerWaalsContact CB-NE2 3.32Å; E59-H61 WeakPolarHBondContact CB-NE2 3.33Å; E59-H61 IonicContact OE2-CE1 3.43Å; E59-H61 IonicContact OE2-NE2 3.25Å; E59-H61 PolarHBondContact OE2-NE2 2.84Å; H61-L63 PolarHBondContact O-N 3.36Å; H61-V76 PolarHBondContact N-O 3.15Å; H61-V76 PolarHBondContact O-N 3.16Å
62P92.8Very high89.2Confident82 Ų8255.3 Ų55.353%0.53230%0.295SS..EExtended strand (participates in β ladder)trans-76.2117.8175.229.7-31.6000110.5K73P62-K73 HydrophobicContact CB-CD 4.13Å; P62-K73 HydrophobicContact CB-CG 4.49Å
63L92.9Very high89.9Confident5 Ų550.6 Ų50.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-110.1124.5174.4-58-172.8000110.3H43 I44 H61 F65 K73 Y74 V76 F174H43-L63 HydrophobicContact CB-CD1 3.72Å; H43-L63 HydrophobicContact CB-CD2 3.78Å; H43-L63 HydrophobicContact CB-CG 4.37Å; I44-L63 HydrophobicContact CD1-CD2 4.28Å; I44-L63 HydrophobicContact CG1-CD2 3.43Å; I44-L63 VanDerWaalsContact CG1-CD2 3.43Å; H61-L63 PolarHBondContact O-N 3.36Å; L63-F65 HydrophobicContact CB-CE2 3.76Å; L63-F65 HydrophobicContact CB-CZ 4.47Å; L63-K73 CarbonylContact O-C 3.46Å; L63-K73 WeakPolarHBondContact O-CA 3.47Å; L63-Y74 PolarHBondContact N-O 3.29Å; L63-Y74 PolarHBondContact O-N 3.27Å; L63-V76 HydrophobicContact CD1-CG2 3.68Å; L63-V76 HydrophobicContact CG-CG2 3.92Å; L63-F174 HydrophobicContact CD1-CE1 3.95Å; L63-F174 HydrophobicContact CD1-CZ 3.73Å
64M91.7Very high90.6Very high60 Ų6046.1 Ų46.130%0.29625%0.25SS..EExtended strand (participates in β ladder)trans-102130.5179.5-72.4-67.8-66.700110.7M11 V21 P71 K73M11-M64 HydrophobicContact CE-CE 3.58Å; M11-M64 HydrophobicContact CE-CG 4.32Å; M11-M64 HydrophobicContact CE-SD 3.38Å; M11-M64 WeakPolarHBondContact CE-SD 3.47Å; M11-M64 HydrophobicContact SD-CE 3.53Å; M11-M64 VanDerWaalsContact SD-CE 3.53Å; M11-M64 HydrophobicContact SD-SD 4.15Å; V21-M64 HydrophobicContact CG1-CE 3.98Å; V21-M64 HydrophobicContact CG1-SD 4.21Å; M64-P71 HydrophobicContact CE-CB 3.81Å; M64-K73 HydrophobicContact CG-CG 4.45Å; M64-K73 HydrophobicContact SD-CB 3.48Å; M64-K73 WeakPolarHBondContact SD-CB 3.37Å; M64-K73 HydrophobicContact SD-CD 3.76Å; M64-K73 HydrophobicContact SD-CG 3.6Å
65F92.1Very high91.2Very high4 Ų447 Ų472%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-123.7135.4174.4-64.5-92.9000109.4H43 L63 P71 I72 Y74 F174 F189 P193H43-F65 AromaticContact CD2-CZ 3.8Å; L63-F65 HydrophobicContact CB-CE2 3.76Å; L63-F65 HydrophobicContact CB-CZ 4.47Å; F65-P71 WeakPolarHBondContact O-CA 3.3Å; F65-I72 PolarHBondContact N-O 3.36Å; F65-I72 PolarHBondContact O-N 2.92Å; F65-Y74 AromaticContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CE2 4.01Å; F65-Y74 AromaticContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CE2 4.23Å; F65-F174 HydrophobicContact CE1-CB 4.08Å; F65-F174 HydrophobicContact CE1-CD2 4.28Å; F65-F174 HydrophobicContact CE1-CG 4.14Å; F65-F174 HydrophobicContact CE2-CB 4.16Å; F65-F174 AromaticContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD2 4.46Å; F65-F174 HydrophobicContact CE2-CE1 4.12Å; F65-F174 AromaticContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CZ-CB 3.81Å; F65-F174 AromaticContact CZ-CD1 3.72Å; F65-F174 HydrophobicContact CZ-CD1 3.72Å; F65-F174 AromaticContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CE1 4.16Å; F65-F174 HydrophobicContact CZ-CE2 4.13Å; F65-F174 AromaticContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CG 3.45Å; F65-F174 VanDerWaalsContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CZ 4.34Å; F65-F189 HydrophobicContact CB-CD1 4.21Å; F65-F189 HydrophobicContact CB-CE1 3.75Å; F65-F189 HydrophobicContact CB-CZ 4.03Å; F65-F189 HydrophobicContact CD1-CD2 4.12Å; F65-F189 HydrophobicContact CD1-CE1 4.1Å; F65-F189 AromaticContact CD1-CE2 3.56Å; F65-F189 HydrophobicContact CD1-CE2 3.56Å; F65-F189 AromaticContact CD1-CZ 3.54Å; F65-F189 HydrophobicContact CD1-CZ 3.54Å; F65-F189 AromaticContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CZ 4.19Å; F65-F189 HydrophobicContact CG-CE1 4.13Å; F65-F189 HydrophobicContact CG-CE2 4.35Å; F65-F189 AromaticContact CG-CZ 3.87Å; F65-F189 HydrophobicContact CG-CZ 3.87Å; F65-P193 HydrophobicContact CD1-CG 4.21Å; F65-P193 HydrophobicContact CE1-CG 4.06Å
66H91.8Very high92Very high99 Ų9946.3 Ų46.346%0.45825%0.247SC..EExtended strand (participates in β ladder)trans-99.1123.8177.6-64.586.1000109.2F189 V190 A191H66-F189 WeakPolarHBondContact O-CA 3.12Å; H66-V190 HydrophobicContact CB-CG2 3.98Å; H66-V190 WeakPolarHBondContact O-CG2 3.36Å; H66-V190 PolarHBondContact O-N 3.26Å; H66-A191 HydrophobicContact CB-CB 4.43Å
67T93.7Very high92.5Very high8 Ų843.2 Ų43.25%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-118.1166.8-176.183.90000111.5R69 G70 I72 L187 E188 F189T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 WeakPolarHBondContact OG1-CA 3.49Å; T67-R69 PolarHBondContact OG1-N 3.28Å; T67-G70 WeakPolarHBondContact CB-O 3.42Å; T67-G70 WeakPolarHBondContact CG2-O 3.42Å; T67-G70 PolarHBondContact N-O 3.21Å; T67-G70 VanDerWaalsContact N-O 3.09Å; T67-G70 PolarHBondContact O-N 3.05Å; T67-G70 VanDerWaalsContact O-N 3.07Å; T67-G70 PolarHBondContact OG1-N 3.48Å; T67-G70 PolarHBondContact OG1-O 3.43Å; T67-I72 HydrophobicContact CG2-CD1 3.8Å; T67-I72 HydrophobicContact CG2-CG1 3.99Å; T67-L187 HydrophobicContact CG2-CD1 4.45Å; T67-L187 HydrophobicContact CG2-CD2 3.91Å; T67-L187 HydrophobicContact CG2-CG 4.34Å; T67-E188 CarbonylContact C-O 3.58Å; T67-E188 WeakPolarHBondContact CA-O 3.15Å; T67-E188 WeakPolarHBondContact CB-O 3.43Å; T67-F189 HydrophobicContact CG2-CD1 3.93Å; T67-F189 HydrophobicContact CG2-CE1 4.06Å
68N93.1Very high93.1Very high55 Ų5542.5 Ų42.529%0.29422%0.219SC..THydrogen-bonded Turntrans-67.13.8168.865.3-14.9000113.9N186 L187 E188 V190N68-N186 PolarHBondContact ND2-O 3.06Å; N68-L187 WeakPolarHBondContact OD1-CA 3.3Å; N68-E188 PolarHBondContact N-O 3.33Å; N68-E188 PolarHBondContact OD1-N 3.43Å; N68-E188 PolarHBondContact OD1-O 3.49Å; N68-V190 HydrophobicContact CB-CG1 3.84Å
69R91.5Very high93.2Very high141 Ų14140.8 Ų40.853%0.53221%0.209SC..THydrogen-bonded Turntrans-120.511173.2-56.6-61.8178.4-104.9-6.5112.9T67 D184 L187T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 WeakPolarHBondContact OG1-CA 3.49Å; T67-R69 PolarHBondContact OG1-N 3.28Å; R69-D184 IonicContact CZ-OD2 2.75Å; R69-D184 VanDerWaalsContact CZ-OD2 3.22Å; R69-D184 IonicContact NE-OD2 3.73Å; R69-D184 PolarHBondContact NE-OD2 3.07Å; R69-D184 IonicContact NH2-OD2 3.02Å; R69-D184 PolarHBondContact NH2-OD2 2.97Å; R69-L187 HydrophobicContact CG-CD1 4.42Å
70G90.8Very high92.9Very high30 Ų3037.2 Ų37.231%0.30919%0.193SC..EExtended strand (participates in β ladder)trans100.3-177.9-175.200000113.4T67T67-G70 WeakPolarHBondContact CB-O 3.42Å; T67-G70 WeakPolarHBondContact CG2-O 3.42Å; T67-G70 PolarHBondContact N-O 3.21Å; T67-G70 VanDerWaalsContact N-O 3.09Å; T67-G70 PolarHBondContact O-N 3.05Å; T67-G70 VanDerWaalsContact O-N 3.07Å; T67-G70 PolarHBondContact OG1-N 3.48Å; T67-G70 PolarHBondContact OG1-O 3.43Å
71P91.8Very high92.1Very high29 Ų2934.2 Ų34.219%0.18818%0.176CC..EExtended strand (participates in β ladder)trans-74.6141.3-176.130.4-36000112.6V21 M64 F65V21-P71 HydrophobicContact CB-CG 4.47Å; V21-P71 HydrophobicContact CG1-CB 4.31Å; V21-P71 HydrophobicContact CG1-CG 4.4Å; V21-P71 HydrophobicContact CG2-CB 4.45Å; V21-P71 HydrophobicContact CG2-CG 3.86Å; M64-P71 HydrophobicContact CE-CB 3.81Å; F65-P71 WeakPolarHBondContact O-CA 3.3Å
72I93.6Very high91.1Very high6 Ų635.7 Ų35.73%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-122.5138.8172-62-179000108.7A22 F24 F65 T67 Y74 A178 I182 L187A22-I72 HydrophobicContact CB-CG1 4.45Å; F24-I72 HydrophobicContact CD2-CG2 3.68Å; F24-I72 HydrophobicContact CE2-CG2 3.74Å; F65-I72 PolarHBondContact N-O 3.36Å; F65-I72 PolarHBondContact O-N 2.92Å; T67-I72 HydrophobicContact CG2-CD1 3.8Å; T67-I72 HydrophobicContact CG2-CG1 3.99Å; I72-Y74 HydrophobicContact CG2-CE2 4.1Å; I72-A178 HydrophobicContact CD1-CB 4.04Å; I72-I182 HydrophobicContact CD1-CD1 4.08Å; I72-I182 HydrophobicContact CD1-CG1 3.8Å; I72-L187 HydrophobicContact CD1-CD1 3.91Å
73K94.7Very high89.6Confident38 Ų3839.2 Ų39.217%0.16519%0.193CC..EExtended strand (participates in β ladder)trans-115.3127174.8-167.9170.564.7-174.40111.2M11 V21 A22 V23 F24 P62 L63 M64M11-K73 HydrophobicContact CE-CD 4.1Å; V21-K73 HydrophobicContact CG1-CB 4Å; A22-K73 PolarHBondContact O-N 3.3Å; V23-K73 CarbonylContact C-O 3.56Å; V23-K73 WeakPolarHBondContact CA-O 3.42Å; V23-K73 HydrophobicContact CG1-CB 4.36Å; V23-K73 VanDerWaalsContact CG1-CE 3.47Å; V23-K73 HydrophobicContact CG2-CB 4.2Å; F24-K73 PolarHBondContact N-O 3.22Å; P62-K73 HydrophobicContact CB-CD 4.13Å; P62-K73 HydrophobicContact CB-CG 4.49Å; L63-K73 CarbonylContact O-C 3.46Å; L63-K73 WeakPolarHBondContact O-CA 3.47Å; M64-K73 HydrophobicContact CG-CG 4.45Å; M64-K73 HydrophobicContact SD-CB 3.48Å; M64-K73 WeakPolarHBondContact SD-CB 3.37Å; M64-K73 HydrophobicContact SD-CD 3.76Å; M64-K73 HydrophobicContact SD-CG 3.6Å
74Y96.7Very high88Confident1 Ų147.9 Ų47.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-99.6117.6163.4-65.7-77.1000109.4F24 L26 L63 F65 I72 V76 F174 L177 A178 L181F24-Y74 HydrophobicContact CB-CD1 3.83Å; F24-Y74 HydrophobicContact CB-CE1 3.99Å; F24-Y74 HydrophobicContact CD2-CE1 4.22Å; F24-Y74 HydrophobicContact CG-CE1 4.4Å; F24-Y74 CarbonylContact O-C 3.58Å; F24-Y74 WeakPolarHBondContact O-CA 3.44Å; L26-Y74 HydrophobicContact CB-CD1 4.06Å; L26-Y74 HydrophobicContact CD1-CD1 3.89Å; L26-Y74 HydrophobicContact CD1-CE1 4.33Å; L26-Y74 HydrophobicContact CD1-CG 4.24Å; L63-Y74 PolarHBondContact N-O 3.29Å; L63-Y74 PolarHBondContact O-N 3.27Å; F65-Y74 AromaticContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CE2 4.01Å; F65-Y74 AromaticContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CE2 4.23Å; I72-Y74 HydrophobicContact CG2-CE2 4.1Å; Y74-V76 PolarHBondContact O-N 2.99Å; Y74-F174 AromaticContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CE1 4.33Å; Y74-F174 HydrophobicContact CE2-CB 4.17Å; Y74-F174 AromaticContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CG-CD1 4.17Å; Y74-F174 PolarHBondContact OH-O 3.49Å; Y74-L177 HydrophobicContact CE1-CB 4.47Å; Y74-A178 WeakPolarHBondContact OH-CA 3.37Å; Y74-A178 WeakPolarHBondContact OH-CB 3.38Å; Y74-A178 PolarHBondContact OH-N 2.86Å; Y74-L181 HydrophobicContact CE1-CD1 3.81Å
75N96.3Very high86.4Confident46 Ų4648.8 Ų48.825%0.24623%0.233CC..EExtended strand (participates in β ladder)trans-8098.1161.3-69.3-25.9000106.5V23 F24 L26 V60 W77V23-N75 WeakPolarHBondContact CG1-ND2 3.28Å; F24-N75 PolarHBondContact O-N 3.46Å; L26-N75 PolarHBondContact N-O 3.04Å; V60-N75 HydrophobicContact CG1-CB 4.27Å; N75-W77 VanDerWaalsContact O-CD1 3.31Å
76V96.8Very high84.5Confident1 Ų150 Ų501%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-83.9117.4-177.9-178.30000109.7L26 L28 V40 V60 H61 L63 Y74 D78 F174L26-V76 HydrophobicContact CB-CG2 4.34Å; L26-V76 HydrophobicContact CD2-CB 4.49Å; L26-V76 HydrophobicContact CD2-CG1 3.88Å; L26-V76 HydrophobicContact CD2-CG2 4.22Å; L26-V76 CarbonylContact O-C 3.6Å; L26-V76 WeakPolarHBondContact O-CA 3.47Å; L28-V76 HydrophobicContact CB-CG1 4.04Å; L28-V76 HydrophobicContact CD2-CG1 4.35Å; V40-V76 HydrophobicContact CG1-CG1 4.48Å; V40-V76 HydrophobicContact CG2-CG1 3.67Å; V60-V76 CarbonylContact C-O 3.56Å; V60-V76 WeakPolarHBondContact CA-O 3.45Å; H61-V76 PolarHBondContact N-O 3.15Å; H61-V76 PolarHBondContact O-N 3.16Å; L63-V76 HydrophobicContact CD1-CG2 3.68Å; L63-V76 HydrophobicContact CG-CG2 3.92Å; Y74-V76 PolarHBondContact O-N 2.99Å; V76-D78 PolarHBondContact O-N 3.35Å; V76-F174 HydrophobicContact CG2-CE1 4.19Å
77W95.1Very high82.8Confident64 Ų6449.4 Ų49.424%0.24227%0.267CS..EExtended strand (participates in β ladder)trans-90.693.2173.7-7052.9000107.5K25 L26 V27 L28 V58 V60 N75 T79 Y92K25-W77 HydrophobicContact CD-CZ2 4.34Å; L26-W77 PolarHBondContact O-N 3.01Å; V27-W77 HydrophobicContact CG1-CB 4.17Å; L28-W77 PolarHBondContact N-O 3.39Å; V58-W77 HydrophobicContact CG1-CE3 4.43Å; V58-W77 HydrophobicContact CG2-CB 3.91Å; V58-W77 HydrophobicContact CG2-CD2 4.37Å; V58-W77 HydrophobicContact CG2-CE3 3.89Å; V58-W77 HydrophobicContact CG2-CG 4.45Å; V60-W77 HydrophobicContact CG2-CD2 3.82Å; V60-W77 HydrophobicContact CG2-CE3 4.33Å; V60-W77 HydrophobicContact CG2-CG 4.04Å; V60-W77 HydrophobicContact CG2-CZ2 4.24Å; N75-W77 VanDerWaalsContact O-CD1 3.31Å; W77-T79 PolarHBondContact O-N 3.2Å; W77-Y92 HydrophobicContact CE3-CD1 4.33Å; W77-Y92 HydrophobicContact CZ3-CD1 4.13Å
78D93.7Very high81.2Confident0 Ų054.6 Ų54.60%029%0.294CS..EExtended strand (participates in β ladder)trans-75.2109.4174.4-178.830.8000109.5K36 T37 V40 V58 E59 V76K36-D78 VanDerWaalsContact CB-OD1 3.31Å; K36-D78 WeakPolarHBondContact CB-OD1 3.33Å; T37-D78 VanDerWaalsContact CA-OD2 3.22Å; T37-D78 WeakPolarHBondContact CA-OD2 3.35Å; T37-D78 VanDerWaalsContact CB-OD2 3.22Å; T37-D78 WeakPolarHBondContact CB-OD2 3.44Å; T37-D78 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D78 PolarHBondContact OG1-OD2 2.66Å; V40-D78 HydrophobicContact CG2-CB 4.43Å; V58-D78 WeakPolarHBondContact CA-O 3.35Å; V58-D78 WeakPolarHBondContact CG2-O 3.48Å; E59-D78 PolarHBondContact N-O 3.1Å; E59-D78 PolarHBondContact O-N 3.34Å; V76-D78 PolarHBondContact O-N 3.35Å
79T90Very high80Confident4 Ų453.5 Ų53.53%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-98.3148.8-173660000112.9L28 V29 K36 V58 W77 G81 Y92L28-T79 PolarHBondContact O-N 2.89Å; L28-T79 PolarHBondContact O-OG1 3.4Å; V29-T79 HydrophobicContact CG1-CG2 4.43Å; K36-T79 WeakPolarHBondContact CE-O 3.33Å; V58-T79 HydrophobicContact CG2-CG2 4.24Å; W77-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 3.04Å; T79-Y92 HydrophobicContact CG2-CD2 4.49Å
80A85.3Confident79.2Confident6 Ų650.1 Ų50.15%0.0528%0.278CS..  trans-61.6121.1171.600000111.4T55 G57 Q82 F85T55-A80 WeakPolarHBondContact O-CB 3.36Å; G57-A80 WeakPolarHBondContact O-CB 3.43Å; G57-A80 PolarHBondContact O-N 2.96Å; A80-Q82 VanDerWaalsContact C-N 3.32Å; A80-Q82 PolarHBondContact O-N 3.26Å; A80-F85 HydrophobicContact CB-CB 4.31Å; A80-F85 HydrophobicContact CB-CD2 4.15Å
81G76.3Confident78.8Confident9 Ų950.8 Ų50.89%0.09329%0.285CS..  trans-84.30.6178.100000114.9G30 D31 G32 T79G30-G81 WeakPolarHBondContact O-CA 3.41Å; D31-G81 CarbonylContact C-O 3.49Å; G32-G81 PolarHBondContact N-O 2.8Å; T79-G81 PolarHBondContact O-N 3.04Å
82Q73.1Confident78.7Confident61 Ų6151.5 Ų51.529%0.28529%0.285SS..  trans-86.1136.3-179.7-57.6-170.34.900110.9A80 K84 F85 R89A80-Q82 VanDerWaalsContact C-N 3.32Å; A80-Q82 PolarHBondContact O-N 3.26Å; Q82-K84 PolarHBondContact O-N 3.5Å; Q82-F85 HydrophobicContact CB-CD2 3.94Å; Q82-F85 HydrophobicContact CB-CE2 4.27Å; Q82-F85 PolarHBondContact O-N 3Å; Q82-R89 VanDerWaalsContact C-NH2 3.31Å; Q82-R89 PolarHBondContact O-NH2 3.23Å
83E61.6Low78.5Confident157 Ų15751.2 Ų51.273%0.73428%0.283SS*.G310 helixtrans-60.6-29.5178.4-62.9-172.3157.900113F85 G86E83-F85 PolarHBondContact O-N 3.29Å; E83-G86 PolarHBondContact O-N 2.99Å
84K59.2Low78.4Confident186 Ų18653.8 Ų53.881%0.80930%0.297SS*.G310 helixtrans-60.4-17.7178-62.3-174.1-180-177.20114.1Q82Q82-K84 PolarHBondContact O-N 3.5Å
85F56.7Low78.2Confident79 Ų7960.6 Ų60.635%0.34633%0.329SS..G310 helixtrans-107.817.4176.1-54.9-67.6000112.7L56 A80 Q82 E83 G87L56-F85 HydrophobicContact CD2-CE1 4.35Å; L56-F85 HydrophobicContact CD2-CE2 4.18Å; L56-F85 HydrophobicContact CD2-CZ 3.7Å; A80-F85 HydrophobicContact CB-CB 4.31Å; A80-F85 HydrophobicContact CB-CD2 4.15Å; Q82-F85 HydrophobicContact CB-CD2 3.94Å; Q82-F85 HydrophobicContact CB-CE2 4.27Å; Q82-F85 PolarHBondContact O-N 3Å; E83-F85 PolarHBondContact O-N 3.29Å; F85-G87 VanDerWaalsContact C-N 3.33Å; F85-G87 PolarHBondContact O-N 3.43Å
86G53.7Low78.2Confident29 Ų2958.7 Ų58.730%0.29932%0.32SS..G310 helixtrans-61.2-29.4-172.300000116.2E83 L88 R89E83-G86 PolarHBondContact O-N 2.99Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.42Å; G86-R89 WeakPolarHBondContact O-CB 3.42Å; G86-R89 VanDerWaalsContact O-CG 3.31Å; G86-R89 WeakPolarHBondContact O-CG 3.35Å; G86-R89 PolarHBondContact O-N 3.04Å
87G55.3Low78.2Confident87 Ų8760.2 Ų60.290%0.89733%0.327SS*.G310 helixtrans-69.3-15.9-172.300000116.3F85F85-G87 VanDerWaalsContact C-N 3.33Å; F85-G87 PolarHBondContact O-N 3.43Å
88L59.8Low78.3Confident118 Ų11857.1 Ų57.162%0.61832%0.316SS*.G310 helixtrans-101.22.4-179.4-71.5169.8000113.8G86 D90 Y92G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.42Å; L88-D90 PolarHBondContact O-N 2.99Å; L88-Y92 HydrophobicContact CB-CE2 4.03Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å
89R68.4Low78.5Confident31 Ų3157.1 Ų57.112%0.11732%0.316CS..Hα-helixtrans-66.1-41.5-166.6-72.9178.5-179.4177.65.3114.1Q82 G86 G91 Y92 Y93Q82-R89 VanDerWaalsContact C-NH2 3.31Å; Q82-R89 PolarHBondContact O-NH2 3.23Å; G86-R89 WeakPolarHBondContact O-CB 3.42Å; G86-R89 VanDerWaalsContact O-CG 3.31Å; G86-R89 WeakPolarHBondContact O-CG 3.35Å; G86-R89 PolarHBondContact O-N 3.04Å; R89-G91 VanDerWaalsContact C-N 3.29Å; R89-G91 PolarHBondContact O-N 3.46Å; R89-Y92 WeakPolarHBondContact O-CB 3.5Å; R89-Y92 PolarHBondContact O-N 2.79Å; R89-Y92 VanDerWaalsContact O-N 3.08Å; R89-Y93 HydrophobicContact CB-CE2 4.18Å; R89-Y93 PolarHBondContact O-N 2.99Å
90D73.6Confident79Confident70 Ų7057 Ų5737%0.37432%0.315SS..Hα-helixtrans-61.8-38.3-175.7-65.32.2000111.9L88 Y92 Y93 I94 V124L88-D90 PolarHBondContact O-N 2.99Å; D90-Y92 VanDerWaalsContact C-N 3.26Å; D90-Y92 PolarHBondContact O-N 3.4Å; D90-Y93 PolarHBondContact O-N 2.97Å; D90-Y93 VanDerWaalsContact O-N 3.08Å; D90-I94 PolarHBondContact O-N 3.05Å; D90-V124 HydrophobicContact CB-CG2 4.01Å
91G84Confident79.6Confident45 Ų4556.7 Ų56.746%0.46431%0.312SS..Hα-helixtrans-62.1-31.6177.800000113.4R89 Y93R89-G91 VanDerWaalsContact C-N 3.29Å; R89-G91 PolarHBondContact O-N 3.46Å; G91-Y93 VanDerWaalsContact C-N 3.32Å
92Y88.3Confident80.6Confident44 Ų4456.3 Ų56.317%0.17331%0.308CS..Hα-helixtrans-73.1-25.9176.9-56.9-39.5000112.5K25 V58 W77 T79 L88 R89 D90K25-Y92 WeakPolarHBondContact CE-O 3.3Å; K25-Y92 PolarHBondContact NZ-O 2.93Å; V58-Y92 HydrophobicContact CB-CD1 4.09Å; V58-Y92 HydrophobicContact CB-CD2 4.39Å; V58-Y92 HydrophobicContact CB-CE1 3.98Å; V58-Y92 HydrophobicContact CB-CE2 4.29Å; V58-Y92 HydrophobicContact CB-CG 4.3Å; V58-Y92 HydrophobicContact CG1-CD1 3.68Å; V58-Y92 HydrophobicContact CG1-CE1 3.38Å; V58-Y92 HydrophobicContact CG1-CG 4.39Å; W77-Y92 HydrophobicContact CE3-CD1 4.33Å; W77-Y92 HydrophobicContact CZ3-CD1 4.13Å; T79-Y92 HydrophobicContact CG2-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.03Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å; R89-Y92 WeakPolarHBondContact O-CB 3.5Å; R89-Y92 PolarHBondContact O-N 2.79Å; R89-Y92 VanDerWaalsContact O-N 3.08Å; D90-Y92 VanDerWaalsContact C-N 3.26Å; D90-Y92 PolarHBondContact O-N 3.4Å
93Y90.8Very high81.8Confident0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-79.7-29.6-178.2-55.6-26.7000113.1V27 V29 R89 D90 G91 Q95 A96 D120 L121 V124 C125V27-Y93 HydrophobicContact CB-CD1 4.44Å; V27-Y93 HydrophobicContact CG1-CD1 4.4Å; V27-Y93 HydrophobicContact CG2-CD1 4.42Å; V29-Y93 HydrophobicContact CG1-CE1 3.54Å; R89-Y93 HydrophobicContact CB-CE2 4.18Å; R89-Y93 PolarHBondContact O-N 2.99Å; D90-Y93 PolarHBondContact O-N 2.97Å; D90-Y93 VanDerWaalsContact O-N 3.08Å; G91-Y93 VanDerWaalsContact C-N 3.32Å; Y93-Q95 PolarHBondContact O-N 3.25Å; Y93-A96 WeakPolarHBondContact O-CB 3.31Å; Y93-A96 PolarHBondContact O-N 2.72Å; Y93-D120 HydrophobicContact CE2-CB 4.31Å; Y93-L121 HydrophobicContact CD1-CD1 4.05Å; Y93-L121 HydrophobicContact CG-CD1 4.08Å; Y93-V124 HydrophobicContact CD2-CB 4.39Å; Y93-V124 HydrophobicContact CD2-CG2 4.06Å; Y93-C125 PolarHBondContact O-SG 3.07Å
94I91.4Very high83.6Confident91 Ų9146.5 Ų46.547%0.46726%0.262SS..THydrogen-bonded Turntrans-44.8126.8-177.1-65.9171.6000111.7K25 D90 A96 V124K25-I94 PolarHBondContact NZ-O 3.02Å; D90-I94 PolarHBondContact O-N 3.05Å; I94-A96 PolarHBondContact O-N 2.49Å; I94-V124 HydrophobicContact CG1-CG1 3.97Å
95Q92.4Very high85.4Confident144 Ų14437.6 Ų37.667%0.67322%0.224SC*.THydrogen-bonded Turntrans61.620.3-178.7-59.1171.8-0.900115.1Y93 Q97Y93-Q95 PolarHBondContact O-N 3.25Å; Q95-Q97 PolarHBondContact O-N 2.78Å
96A95.9Very high87.4Confident7 Ų735.8 Ų35.86%0.05822%0.219CC..  trans-59.7136.5166.100000109.2V27 Y93 I94 I128V27-A96 HydrophobicContact CB-CB 4.41Å; V27-A96 HydrophobicContact CG1-CB 3.72Å; V27-A96 HydrophobicContact CG2-CB 3.81Å; Y93-A96 WeakPolarHBondContact O-CB 3.31Å; Y93-A96 PolarHBondContact O-N 2.72Å; I94-A96 PolarHBondContact O-N 2.49Å; A96-I128 HydrophobicContact CB-CD1 4.17Å; A96-I128 WeakPolarHBondContact O-CG2 3.46Å
97Q97.4Very high89.5Confident32 Ų3236.2 Ų36.215%0.1522%0.218CC..SBendtrans-101.3-20.4177.2-69156.8-7800110.9V5 F24 K25 Q95 P129 L181V5-Q97 PolarHBondContact O-NE2 3.47Å; F24-Q97 VanDerWaalsContact CA-OE1 3.29Å; F24-Q97 HydrophobicContact CD1-CB 4.27Å; K25-Q97 PolarHBondContact O-N 2.83Å; Q95-Q97 PolarHBondContact O-N 2.78Å; Q97-P129 WeakPolarHBondContact O-CD 3.42Å; Q97-L181 HydrophobicContact CB-CD2 4.34Å; Q97-L181 WeakPolarHBondContact O-CD2 2.91Å
98C98.3Very high91.5Very high0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-155.9166.1175.1570000110.7K25 L26 V27 P129 L177 L181K25-C98 PolarHBondContact O-N 2.9Å; L26-C98 WeakPolarHBondContact CA-O 3.5Å; V27-C98 PolarHBondContact N-O 2.88Å; V27-C98 VanDerWaalsContact N-O 3.08Å; C98-P129 VanDerWaalsContact CA-O 3.3Å; C98-P129 WeakPolarHBondContact CA-O 3.33Å; C98-P129 HydrophobicContact CB-CG 4.01Å; C98-L177 HydrophobicContact CB-CD1 4.18Å; C98-L177 HydrophobicContact CB-CD2 3.75Å; C98-L177 HydrophobicContact CB-CG 4.42Å; C98-L181 HydrophobicContact CB-CD1 4.03Å; C98-L181 HydrophobicContact CB-CD2 4.43Å
99A98.2Very high93.2Very high0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-143.9157.9175.700000114.1V27 L121 I128 P129 I130 V131V27-A99 HydrophobicContact CG2-CB 3.54Å; V27-A99 VanDerWaalsContact O-CA 3.24Å; V27-A99 WeakPolarHBondContact O-CA 3.38Å; V27-A99 WeakPolarHBondContact O-CB 3.44Å; A99-L121 HydrophobicContact CB-CD1 4.23Å; A99-L121 HydrophobicContact CB-CD2 3.4Å; A99-L121 VanDerWaalsContact CB-CD2 3.4Å; A99-L121 HydrophobicContact CB-CG 4.44Å; A99-I128 HydrophobicContact CB-CD1 4.15Å; A99-P129 PolarHBondContact N-O 3Å; A99-I130 HydrophobicContact CB-CG1 4.12Å; A99-I130 HydrophobicContact CB-CG2 4.33Å; A99-I130 WeakPolarHBondContact O-CA 3.24Å; A99-V131 PolarHBondContact O-N 3.45Å
100I98.6Very high94.6Very high1 Ų137.8 Ų37.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-120.8125.2164.6-63.5174.8000107.8L26 V27 L28 V29 F39 V131 C133 P173 F174 L177L26-I100 HydrophobicContact CD1-CD1 4.04Å; L26-I100 HydrophobicContact CD1-CG1 4.28Å; L26-I100 HydrophobicContact CD2-CB 4.5Å; L26-I100 HydrophobicContact CD2-CD1 4.19Å; L26-I100 HydrophobicContact CD2-CG1 4.2Å; V27-I100 PolarHBondContact O-N 2.84Å; L28-I100 HydrophobicContact CD1-CB 3.72Å; L28-I100 HydrophobicContact CD1-CG2 3.62Å; V29-I100 PolarHBondContact N-O 2.84Å; F39-I100 HydrophobicContact CE1-CD1 4.14Å; I100-V131 CarbonylContact C-O 3.53Å; I100-V131 WeakPolarHBondContact CA-O 3.38Å; I100-V131 HydrophobicContact CG1-CB 4.43Å; I100-C133 HydrophobicContact CG2-CB 4.21Å; I100-P173 HydrophobicContact CD1-CB 3.84Å; I100-P173 HydrophobicContact CG1-CB 4.45Å; I100-F174 HydrophobicContact CD1-CE1 4.5Å; I100-F174 HydrophobicContact CD1-CZ 4.38Å; I100-L177 HydrophobicContact CD1-CD1 4.34Å; I100-L177 HydrophobicContact CG1-CD1 3.98Å
101I98.1Very high95.8Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-101121.5168.9-52.7179.6000107.4V29 V114 W117 H118 L121 I130 V131 L132 C133V29-I101 HydrophobicContact CG2-CB 4.24Å; V29-I101 HydrophobicContact CG2-CG1 3.73Å; V29-I101 HydrophobicContact CG2-CG2 4.33Å; I101-V114 HydrophobicContact CG2-CG1 4.2Å; I101-V114 HydrophobicContact CG2-CG2 4.32Å; I101-W117 HydrophobicContact CG2-CB 4.12Å; I101-H118 HydrophobicContact CD1-CB 3.78Å; I101-L121 HydrophobicContact CD1-CD2 4.49Å; I101-I130 HydrophobicContact CD1-CG2 3.89Å; I101-I130 HydrophobicContact CG1-CG2 3.84Å; I101-V131 PolarHBondContact N-O 3.27Å; I101-L132 HydrophobicContact CB-CD1 4.11Å; I101-L132 HydrophobicContact CG2-CD1 4.13Å; I101-L132 WeakPolarHBondContact O-CA 3.18Å; I101-C133 PolarHBondContact O-N 2.97Å
102M98.5Very high96.4Very high1 Ų142 Ų421%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-113.5131.4-176.6-172176.8-65.400112L28 V29 G30 K36 F39 C133 N135 I162L28-M102 HydrophobicContact CD1-CB 4.44Å; L28-M102 HydrophobicContact CD1-CE 4.2Å; V29-M102 PolarHBondContact O-N 3.01Å; G30-M102 WeakPolarHBondContact CA-O 3.48Å; K36-M102 HydrophobicContact CG-CB 4.08Å; K36-M102 HydrophobicContact CG-SD 4.06Å; F39-M102 HydrophobicContact CB-CE 3.79Å; F39-M102 HydrophobicContact CD1-CE 3.92Å; F39-M102 HydrophobicContact CD2-CE 4.19Å; F39-M102 HydrophobicContact CG-CE 3.72Å; M102-C133 WeakPolarHBondContact CA-O 2.99Å; M102-N135 HydrophobicContact CG-CB 4.02Å; M102-N135 HydrophobicContact SD-CB 3.93Å; M102-I162 HydrophobicContact CE-CD1 3.83Å
103F98.6Very high96.7Very high0 Ų041.2 Ų41.20%020%0.199CC..EExtended strand (participates in β ladder)trans-123.8169.7167.472-87000110.9V105 Y111 V114 L132 C133 G134 N135 V144 I149 Y159F103-V105 HydrophobicContact CE2-CG1 3.96Å; F103-Y111 AromaticContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD2-CD2 4.02Å; F103-Y111 HydrophobicContact CD2-CG 4.34Å; F103-Y111 AromaticContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CE2 4.23Å; F103-Y111 AromaticContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CG 4.34Å; F103-Y111 HydrophobicContact CG-CD2 4.05Å; F103-Y111 AromaticContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CE2 4.3Å; F103-V114 HydrophobicContact CB-CG2 4.01Å; F103-V114 HydrophobicContact CD1-CG2 4.04Å; F103-V114 HydrophobicContact CG-CG2 4.3Å; F103-L132 HydrophobicContact CD1-CD1 3.77Å; F103-L132 HydrophobicContact CD1-CG 4.22Å; F103-L132 HydrophobicContact CE1-CD1 3.96Å; F103-L132 HydrophobicContact CE1-CD2 4.13Å; F103-L132 HydrophobicContact CE1-CG 3.88Å; F103-C133 WeakPolarHBondContact CD1-O 3.47Å; F103-C133 PolarHBondContact N-O 2.88Å; F103-G134 VanDerWaalsContact CZ-CA 3.5Å; F103-N135 PolarHBondContact O-N 2.86Å; F103-V144 HydrophobicContact CE2-CB 4.24Å; F103-V144 HydrophobicContact CE2-CG1 3.9Å; F103-I149 HydrophobicContact CE2-CD1 4.42Å; F103-I149 HydrophobicContact CZ-CD1 3.9Å; F103-I149 HydrophobicContact CZ-CG1 4.14Å; F103-I149 HydrophobicContact CZ-CG2 4.37Å; F103-Y159 AromaticContact CE1-CE2 3.69Å; F103-Y159 HydrophobicContact CE1-CE2 3.69Å; F103-Y159 AromaticContact CZ-CE2 3.75Å; F103-Y159 HydrophobicContact CZ-CE2 3.75Å
104D98.2Very high97Very high11 Ų1141.2 Ų41.26%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-105.7120.4179.1-178.6-16000109.6T34 T106 S107 T110 K136T34-D104 HydrophobicContact CG2-CB 4.3Å; D104-T106 PolarHBondContact O-N 2.69Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 WeakPolarHBondContact OD1-CA 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.32Å; D104-T106 PolarHBondContact OD1-OG1 3.03Å; D104-T106 PolarHBondContact OD2-OG1 2.91Å; D104-S107 PolarHBondContact O-N 2.83Å; D104-T110 HydrophobicContact CB-CG2 4.36Å; D104-T110 PolarHBondContact N-OG1 2.93Å; D104-T110 PolarHBondContact O-OG1 3.22Å; D104-K136 VanDerWaalsContact OD2-CD 3.32Å; D104-K136 WeakPolarHBondContact OD2-CD 3.42Å; D104-K136 WeakPolarHBondContact OD2-CE 3.32Å; D104-K136 IonicContact OD2-NZ 2.66Å; D104-K136 PolarHBondContact OD2-NZ 3.49Å
105V98.2Very high97.3Very high0 Ų039.4 Ų39.40%019%0.193CC..THydrogen-bonded Turntrans-66.2-14.4-178.4-55.70000113.3F103 N135 V137 R142 K143 V144F103-V105 HydrophobicContact CE2-CG1 3.96Å; V105-N135 WeakPolarHBondContact CG2-O 3.35Å; V105-N135 PolarHBondContact N-O 3.1Å; V105-V137 HydrophobicContact CG1-CG1 4.01Å; V105-V137 HydrophobicContact CG2-CG1 4.11Å; V105-R142 HydrophobicContact CB-CG 4.08Å; V105-R142 HydrophobicContact CG2-CG 4.08Å; V105-K143 PolarHBondContact O-N 2.91Å; V105-V144 PolarHBondContact O-N 3.44Å
106T97.9Very high97.3Very high40 Ų4035.5 Ų35.525%0.24518%0.177CC..THydrogen-bonded Turntrans-88.2-7.6174.972.10000113.1D104 I139 K143D104-T106 PolarHBondContact O-N 2.69Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 WeakPolarHBondContact OD1-CA 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.32Å; D104-T106 PolarHBondContact OD1-OG1 3.03Å; D104-T106 PolarHBondContact OD2-OG1 2.91Å; T106-I139 HydrophobicContact CG2-CB 3.7Å; T106-I139 HydrophobicContact CG2-CD1 3.79Å; T106-I139 HydrophobicContact CG2-CG1 4.3Å; T106-I139 HydrophobicContact CG2-CG2 3.71Å; T106-K143 WeakPolarHBondContact O-CG 3.13Å
107S97.7Very high97.2Very high38 Ų3835.6 Ų35.627%0.26618%0.175SC..  trans-131.2102-175.2-173.90000112.2D104 V109 T110D104-S107 PolarHBondContact O-N 2.83Å; S107-V109 VanDerWaalsContact C-N 3.25Å; S107-V109 PolarHBondContact O-N 3.11Å; S107-V109 WeakPolarHBondContact OG-CG1 3.39Å; S107-T110 PolarHBondContact O-N 2.73Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 2.98Å
108R96.9Very high97.1Very high179 Ų17935 Ų3568%0.67517%0.172SC*.Hα-helixtrans-57.5-35.8-177.3-65.3-175.6178176.52.7113.5T110 Y111 K112 K143 V144R108-T110 PolarHBondContact O-N 3.21Å; R108-Y111 PolarHBondContact O-N 3.2Å; R108-K112 PolarHBondContact O-N 3.44Å; R108-K143 HydrophobicContact CG-CB 3.93Å; R108-K143 PolarHBondContact NE-O 3.19Å; R108-V144 HydrophobicContact CB-CG2 4.45Å; R108-V144 HydrophobicContact CG-CG2 4.13Å
109V96.4Very high96.9Very high82 Ų8241.4 Ų41.450%0.49720%0.197SC..Hα-helixtrans-60.6-37.7179.863.30000111.5S107 Y111 K112 N113S107-V109 VanDerWaalsContact C-N 3.25Å; S107-V109 PolarHBondContact O-N 3.11Å; S107-V109 WeakPolarHBondContact OG-CG1 3.39Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.63Å; V109-K112 WeakPolarHBondContact O-CB 3.47Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.15Å; V109-N113 PolarHBondContact O-N 3.48Å; V109-N113 PolarHBondContact O-ND2 3.23Å
110T97.6Very high96.6Very high9 Ų943.1 Ų43.16%0.05521%0.206CC..Hα-helixtrans-66.4-32.8-179.768.80000112.4D31 T34 D104 S107 R108D31-T110 HydrophobicContact CB-CG2 3.84Å; D31-T110 WeakPolarHBondContact OD2-CA 3.36Å; T34-T110 HydrophobicContact CG2-CG2 3.87Å; D104-T110 HydrophobicContact CB-CG2 4.36Å; D104-T110 PolarHBondContact N-OG1 2.93Å; D104-T110 PolarHBondContact O-OG1 3.22Å; S107-T110 PolarHBondContact O-N 2.73Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 2.98Å; R108-T110 PolarHBondContact O-N 3.21Å
111Y98.1Very high96.3Very high33 Ų3343 Ų4313%0.12921%0.206CC..Hα-helixtrans-74.7-40.8172.7-178.1-108.6000111.8F103 R108 V109 N113 V114 L132 V144 S148 I149 V150 F151F103-Y111 AromaticContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD2-CD2 4.02Å; F103-Y111 HydrophobicContact CD2-CG 4.34Å; F103-Y111 AromaticContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CE2 4.23Å; F103-Y111 AromaticContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CG 4.34Å; F103-Y111 HydrophobicContact CG-CD2 4.05Å; F103-Y111 AromaticContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CE2 4.3Å; R108-Y111 PolarHBondContact O-N 3.2Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.63Å; Y111-N113 PolarHBondContact O-N 3.08Å; Y111-N113 VanDerWaalsContact O-N 3.16Å; Y111-V114 HydrophobicContact CD2-CG2 4.14Å; Y111-V114 VanDerWaalsContact O-CB 3.3Å; Y111-V114 WeakPolarHBondContact O-CB 3.01Å; Y111-V114 WeakPolarHBondContact O-CG2 3.42Å; Y111-V114 PolarHBondContact O-N 2.91Å; Y111-L132 HydrophobicContact CE2-CD2 4.35Å; Y111-V144 HydrophobicContact CD1-CG1 4.02Å; Y111-V144 HydrophobicContact CD2-CG1 4.37Å; Y111-V144 HydrophobicContact CG-CG1 3.87Å; Y111-S148 VanDerWaalsContact CE1-O 3.24Å; Y111-S148 WeakPolarHBondContact CE1-O 3.31Å; Y111-S148 PolarHBondContact OH-O 3.3Å; Y111-I149 HydrophobicContact CE2-CB 4.41Å; Y111-I149 HydrophobicContact CE2-CG1 4.31Å; Y111-I149 HydrophobicContact CE2-CG2 3.97Å; Y111-I149 VanDerWaalsContact OH-CA 3.31Å; Y111-I149 WeakPolarHBondContact OH-CA 3.32Å; Y111-V150 PolarHBondContact OH-N 2.95Å; Y111-F151 HydrophobicContact CE2-CB 4.44Å; Y111-F151 WeakPolarHBondContact OH-CB 3.39Å; Y111-F151 PolarHBondContact OH-N 3.28Å; Y111-F151 VanDerWaalsContact OH-N 3.09Å
112K96.6Very high96.1Very high169 Ų16945.2 Ų45.274%0.73522%0.219SC*.Hα-helixtrans-57.6-28.9174.6-173.8175.1179.4175.20112.5R108 V109 P115R108-K112 PolarHBondContact O-N 3.44Å; V109-K112 WeakPolarHBondContact O-CB 3.47Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.15Å; K112-P115 VanDerWaalsContact O-CD 3.3Å; K112-P115 WeakPolarHBondContact O-CD 3.24Å
113N95.9Very high95.8Very high28 Ų2854.1 Ų54.115%0.1525%0.252CS..THydrogen-bonded Turntrans-85.4-10.9178.6-71.9-19.3000114.5D31 V109 Y111 P115 N116 W117D31-N113 WeakPolarHBondContact OD1-CB 3.34Å; D31-N113 PolarHBondContact OD2-ND2 3.37Å; V109-N113 PolarHBondContact O-N 3.48Å; V109-N113 PolarHBondContact O-ND2 3.23Å; Y111-N113 PolarHBondContact O-N 3.08Å; Y111-N113 VanDerWaalsContact O-N 3.16Å; N113-P115 VanDerWaalsContact C-CD 3.46Å; N113-N116 WeakPolarHBondContact O-CB 3.16Å; N113-N116 PolarHBondContact O-N 2.84Å; N113-W117 VanDerWaalsContact O-CD1 3.25Å; N113-W117 PolarHBondContact O-N 3.32Å
114V96.9Very high95.5Very high1 Ų156.4 Ų56.41%0.00627%0.266CS..Hα-helixtrans-52.7-43.9178167.50000113.1I101 F103 Y111 N116 W117 H118 L132 F151I101-V114 HydrophobicContact CG2-CG1 4.2Å; I101-V114 HydrophobicContact CG2-CG2 4.32Å; F103-V114 HydrophobicContact CB-CG2 4.01Å; F103-V114 HydrophobicContact CD1-CG2 4.04Å; F103-V114 HydrophobicContact CG-CG2 4.3Å; Y111-V114 HydrophobicContact CD2-CG2 4.14Å; Y111-V114 VanDerWaalsContact O-CB 3.3Å; Y111-V114 WeakPolarHBondContact O-CB 3.01Å; Y111-V114 WeakPolarHBondContact O-CG2 3.42Å; Y111-V114 PolarHBondContact O-N 2.91Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 2.91Å; V114-W117 PolarHBondContact O-N 3.05Å; V114-H118 WeakPolarHBondContact O-CB 3.48Å; V114-H118 PolarHBondContact O-N 2.93Å; V114-L132 HydrophobicContact CB-CD1 4.47Å; V114-L132 HydrophobicContact CG1-CD1 3.63Å; V114-L132 HydrophobicContact CG1-CD2 4.47Å; V114-L132 HydrophobicContact CG2-CD1 3.92Å; V114-F151 HydrophobicContact CG1-CD1 3.5Å; V114-F151 VanDerWaalsContact CG1-CD1 3.5Å; V114-F151 HydrophobicContact CG1-CE1 3.74Å; V114-F151 HydrophobicContact CG1-CG 4.11Å
115P96.1Very high95.2Very high53 Ų5356.3 Ų56.334%0.34427%0.266SS..Hα-helixtrans-58.6-35176.8-24.834.9000113.8K112 N113 R119 F151K112-P115 VanDerWaalsContact O-CD 3.3Å; K112-P115 WeakPolarHBondContact O-CD 3.24Å; N113-P115 VanDerWaalsContact C-CD 3.46Å; P115-R119 VanDerWaalsContact O-CB 3.28Å; P115-R119 WeakPolarHBondContact O-CB 3.36Å; P115-R119 PolarHBondContact O-N 3.3Å; P115-F151 HydrophobicContact CB-CD2 4.35Å; P115-F151 HydrophobicContact CB-CE2 3.72Å; P115-F151 HydrophobicContact CB-CZ 4.24Å; P115-F151 HydrophobicContact CG-CD2 3.82Å; P115-F151 HydrophobicContact CG-CE2 3.7Å; P115-F151 HydrophobicContact CG-CZ 4.45Å
116N93.4Very high94.7Very high62 Ų6263.7 Ų63.733%0.33230%0.301SS..Hα-helixtrans-67.1-49.9177.4-65.6-38.7000110.6N113 V114 H118 R119 D120N113-N116 WeakPolarHBondContact O-CB 3.16Å; N113-N116 PolarHBondContact O-N 2.84Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 2.91Å; N116-H118 VanDerWaalsContact C-N 3.29Å; N116-H118 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact O-N 2.82Å; N116-R119 PolarHBondContact OD1-NH1 2.79Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å; N116-D120 PolarHBondContact O-N 3.07Å
117W94.4Very high94.3Very high8 Ų869.4 Ų69.43%0.0333%0.33CS..Hα-helixtrans-58.9-41.7176.4-70.2109000112.6V29 G30 D31 I101 N113 V114 L121V29-W117 HydrophobicContact CB-CD2 4.47Å; V29-W117 HydrophobicContact CB-CE3 3.88Å; V29-W117 HydrophobicContact CB-CZ3 4.26Å; V29-W117 HydrophobicContact CG2-CB 4.35Å; V29-W117 HydrophobicContact CG2-CE3 4.46Å; G30-W117 VanDerWaalsContact C-CE2 3.46Å; G30-W117 VanDerWaalsContact C-CZ2 3.44Å; G30-W117 WeakPolarHBondContact O-CZ2 3.22Å; D31-W117 PolarHBondContact OD1-NE1 3.23Å; I101-W117 HydrophobicContact CG2-CB 4.12Å; N113-W117 VanDerWaalsContact O-CD1 3.25Å; N113-W117 PolarHBondContact O-N 3.32Å; V114-W117 PolarHBondContact O-N 3.05Å; W117-L121 VanDerWaalsContact O-CB 3.25Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 2.64Å
118H95.2Very high94.2Very high19 Ų1969 Ų699%0.08832%0.324CS..Hα-helixtrans-63.3-49.2175.7176.1-81.4000111.5I101 V114 N116 D120 L121 V122 F151I101-H118 HydrophobicContact CD1-CB 3.78Å; V114-H118 WeakPolarHBondContact O-CB 3.48Å; V114-H118 PolarHBondContact O-N 2.93Å; N116-H118 VanDerWaalsContact C-N 3.29Å; N116-H118 PolarHBondContact O-N 3.22Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 2.98Å; H118-L121 PolarHBondContact O-N 3.37Å; H118-V122 WeakPolarHBondContact O-CG1 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.35Å; H118-V122 PolarHBondContact O-N 3.44Å; H118-F151 HydrophobicContact CB-CE1 3.74Å; H118-F151 HydrophobicContact CB-CZ 3.61Å; H118-F151 AromaticContact CD2-CE1 3.92Å; H118-F151 AromaticContact CG-CE1 3.78Å; H118-F151 AromaticContact CG-CZ 3.61Å; H118-F151 AromaticContact ND1-CZ 3.97Å
119R93.1Very high94.3Very high135 Ų13562 Ų6251%0.50930%0.302SS..Hα-helixtrans-55.8-48.5178.9178.3-169.563.5-136.1-9111.3P115 N116 L121 V122 R123P115-R119 VanDerWaalsContact O-CB 3.28Å; P115-R119 WeakPolarHBondContact O-CB 3.36Å; P115-R119 PolarHBondContact O-N 3.3Å; N116-R119 PolarHBondContact O-N 2.82Å; N116-R119 PolarHBondContact OD1-NH1 2.79Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.93Å; R119-V122 WeakPolarHBondContact O-CG2 3.2Å; R119-V122 PolarHBondContact O-N 2.9Å; R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 2.86Å
120D91.4Very high94.4Very high36 Ų3658.4 Ų58.419%0.19328%0.28CS..Hα-helixtrans-67.1-37.6-177-58.9-9.9000110.8Y93 N116 H118Y93-D120 HydrophobicContact CE2-CB 4.31Å; N116-D120 PolarHBondContact O-N 3.07Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 2.98Å
121L92.7Very high94.4Very high0 Ų058 Ų580%028%0.277CS..Hα-helixtrans-64.2-52.1175.2-179.870.6000112.3V27 Y93 A99 I101 W117 H118 R119 R123 V124 C125 I128 I130V27-L121 HydrophobicContact CG2-CD1 3.48Å; V27-L121 VanDerWaalsContact CG2-CD1 3.48Å; Y93-L121 HydrophobicContact CD1-CD1 4.05Å; Y93-L121 HydrophobicContact CG-CD1 4.08Å; A99-L121 HydrophobicContact CB-CD1 4.23Å; A99-L121 HydrophobicContact CB-CD2 3.4Å; A99-L121 VanDerWaalsContact CB-CD2 3.4Å; A99-L121 HydrophobicContact CB-CG 4.44Å; I101-L121 HydrophobicContact CD1-CD2 4.49Å; W117-L121 VanDerWaalsContact O-CB 3.25Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 2.64Å; H118-L121 PolarHBondContact O-N 3.37Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.93Å; L121-R123 PolarHBondContact O-N 3.36Å; L121-V124 PolarHBondContact O-N 3.25Å; L121-V124 VanDerWaalsContact O-N 3.11Å; L121-C125 PolarHBondContact O-N 3.2Å; L121-I128 HydrophobicContact CD1-CD1 4.35Å; L121-I128 HydrophobicContact CD2-CD1 4.41Å; L121-I128 HydrophobicContact CG-CD1 4.44Å; L121-I130 HydrophobicContact CD2-CD1 3.63Å; L121-I130 HydrophobicContact CD2-CG1 3.94Å; L121-I130 HydrophobicContact CD2-CG2 4.49Å
122V93.6Very high94.4Very high46 Ų4656.4 Ų56.428%0.27927%0.271SS..Hα-helixtrans-71.6-19.5-176.2-58.50000113.1H118 R119 V124 C125 I130H118-V122 WeakPolarHBondContact O-CG1 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.35Å; H118-V122 PolarHBondContact O-N 3.44Å; R119-V122 WeakPolarHBondContact O-CG2 3.2Å; R119-V122 PolarHBondContact O-N 2.9Å; V122-V124 PolarHBondContact O-N 3.34Å; V122-C125 WeakPolarHBondContact CA-O 3.43Å; V122-I130 HydrophobicContact CG1-CD1 4.08Å
123R92.1Very high94.5Very high188 Ų18848.3 Ų48.371%0.70924%0.236SC*.Hα-helixtrans-62.7-31170.3-176.6-177.8179.3-161.5-0.5112.4R119 L121R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 2.86Å; L121-R123 PolarHBondContact O-N 3.36Å
124V92.6Very high94.7Very high48 Ų4847 Ų4729%0.29123%0.229SC..Hα-helixtrans-100.3-38.1-179.5-176.50000111.8D90 Y93 I94 L121 V122D90-V124 HydrophobicContact CB-CG2 4.01Å; Y93-V124 HydrophobicContact CD2-CB 4.39Å; Y93-V124 HydrophobicContact CD2-CG2 4.06Å; I94-V124 HydrophobicContact CG1-CG1 3.97Å; L121-V124 PolarHBondContact O-N 3.25Å; L121-V124 VanDerWaalsContact O-N 3.11Å; V122-V124 PolarHBondContact O-N 3.34Å
125C91.5Very high94.7Very high9 Ų947.1 Ų47.16%0.06123%0.23CC..SBendtrans-123.496.9-177.5-65.80000110.6Y93 L121 V122 I128Y93-C125 PolarHBondContact O-SG 3.07Å; L121-C125 PolarHBondContact O-N 3.2Å; V122-C125 WeakPolarHBondContact CA-O 3.43Å; C125-I128 HydrophobicContact CB-CD1 3.75Å; C125-I128 HydrophobicContact CB-CG1 4.1Å; C125-I128 HydrophobicContact CB-CG2 4.06Å
126E88.9Confident94.8Very high154 Ų15447.1 Ų47.172%0.7222%0.224SC*.THydrogen-bonded Turntrans-73.6140.1174.9-63.1-177.1-176.200110.6I128E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.46Å
127N88.9Confident94.9Very high160 Ų16044.1 Ų44.186%0.85621%0.208SC*.THydrogen-bonded Turntrans60.426.3168.3-55.5-45.5000117.1
128I96.2Very high94.9Very high30 Ų3045.1 Ų45.115%0.15421%0.214CC..  trans-82.5147.4171.463.1167.6000111.6A96 A99 L121 C125 E126 I130A96-I128 HydrophobicContact CB-CD1 4.17Å; A96-I128 WeakPolarHBondContact O-CG2 3.46Å; A99-I128 HydrophobicContact CB-CD1 4.15Å; L121-I128 HydrophobicContact CD1-CD1 4.35Å; L121-I128 HydrophobicContact CD2-CD1 4.41Å; L121-I128 HydrophobicContact CG-CD1 4.44Å; C125-I128 HydrophobicContact CB-CD1 3.75Å; C125-I128 HydrophobicContact CB-CG1 4.1Å; C125-I128 HydrophobicContact CB-CG2 4.06Å; E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.46Å; I128-I130 HydrophobicContact CD1-CG1 4.45Å; I128-I130 HydrophobicContact CG1-CD1 4.31Å; I128-I130 HydrophobicContact CG1-CG1 4.02Å; I128-I130 WeakPolarHBondContact O-CG1 3.26Å; I128-I130 PolarHBondContact O-N 3.36Å
129P97.9Very high94.8Very high31 Ų3147.5 Ų47.520%0.20123%0.227CC..  trans-64.8128.217126-34.8000111Q97 C98 A99 W176 L177 K180 L181Q97-P129 WeakPolarHBondContact O-CD 3.42Å; C98-P129 VanDerWaalsContact CA-O 3.3Å; C98-P129 WeakPolarHBondContact CA-O 3.33Å; C98-P129 HydrophobicContact CB-CG 4.01Å; A99-P129 PolarHBondContact N-O 3Å; P129-W176 HydrophobicContact CB-CH2 4.34Å; P129-W176 HydrophobicContact CB-CZ3 3.86Å; P129-L177 HydrophobicContact CB-CD2 3.86Å; P129-L177 HydrophobicContact CG-CD2 4.22Å; P129-L177 WeakPolarHBondContact O-CD2 3.46Å; P129-K180 HydrophobicContact CB-CB 3.95Å; P129-K180 HydrophobicContact CB-CG 4.45Å; P129-K180 HydrophobicContact CG-CB 4.36Å; P129-L181 HydrophobicContact CG-CD2 3.79Å; P129-L181 HydrophobicContact CG-CG 4.06Å
130I98.5Very high94.7Very high7 Ų749.3 Ų49.34%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-127.1134.5-178-56.4162.4000109.4A99 I101 L121 V122 I128 L157A99-I130 HydrophobicContact CB-CG1 4.12Å; A99-I130 HydrophobicContact CB-CG2 4.33Å; A99-I130 WeakPolarHBondContact O-CA 3.24Å; I101-I130 HydrophobicContact CD1-CG2 3.89Å; I101-I130 HydrophobicContact CG1-CG2 3.84Å; L121-I130 HydrophobicContact CD2-CD1 3.63Å; L121-I130 HydrophobicContact CD2-CG1 3.94Å; L121-I130 HydrophobicContact CD2-CG2 4.49Å; V122-I130 HydrophobicContact CG1-CD1 4.08Å; I128-I130 HydrophobicContact CD1-CG1 4.45Å; I128-I130 HydrophobicContact CG1-CD1 4.31Å; I128-I130 HydrophobicContact CG1-CG1 4.02Å; I128-I130 WeakPolarHBondContact O-CG1 3.26Å; I128-I130 PolarHBondContact O-N 3.36Å; I130-L157 HydrophobicContact CB-CD2 4Å; I130-L157 HydrophobicContact CD1-CD2 4.49Å; I130-L157 HydrophobicContact CG2-CD1 4.31Å; I130-L157 HydrophobicContact CG2-CD2 4.48Å
131V98.8Very high94.9Very high0 Ų052.2 Ų52.20%025%0.254CS..EExtended strand (participates in β ladder)trans-109132.1171.3-177.50000109.7A99 I100 I101 Q158 Y160 P173 W176 L177A99-V131 PolarHBondContact O-N 3.45Å; I100-V131 CarbonylContact C-O 3.53Å; I100-V131 WeakPolarHBondContact CA-O 3.38Å; I100-V131 HydrophobicContact CG1-CB 4.43Å; I101-V131 PolarHBondContact N-O 3.27Å; V131-Q158 WeakPolarHBondContact CA-O 3.48Å; V131-Q158 HydrophobicContact CG2-CB 4.35Å; V131-Y160 HydrophobicContact CG1-CD2 3.75Å; V131-Y160 HydrophobicContact CG1-CE2 4.26Å; V131-P173 HydrophobicContact CB-CB 4.44Å; V131-P173 HydrophobicContact CG1-CB 4Å; V131-P173 HydrophobicContact CG1-CG 4.4Å; V131-W176 HydrophobicContact CG2-CD2 4.23Å; V131-W176 HydrophobicContact CG2-CE3 3.42Å; V131-W176 VanDerWaalsContact CG2-CE3 3.42Å; V131-W176 HydrophobicContact CG2-CZ3 3.85Å; V131-L177 HydrophobicContact CG2-CD1 4.27Å; V131-L177 HydrophobicContact CG2-CD2 3.83Å; V131-L177 HydrophobicContact CG2-CG 3.73Å
132L98.7Very high95Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-93.2124.7169-178.465.4000109.6I101 F103 Y111 V114 I149 H152 Q158 Y159 Y160I101-L132 HydrophobicContact CB-CD1 4.11Å; I101-L132 HydrophobicContact CG2-CD1 4.13Å; I101-L132 WeakPolarHBondContact O-CA 3.18Å; F103-L132 HydrophobicContact CD1-CD1 3.77Å; F103-L132 HydrophobicContact CD1-CG 4.22Å; F103-L132 HydrophobicContact CE1-CD1 3.96Å; F103-L132 HydrophobicContact CE1-CD2 4.13Å; F103-L132 HydrophobicContact CE1-CG 3.88Å; Y111-L132 HydrophobicContact CE2-CD2 4.35Å; V114-L132 HydrophobicContact CB-CD1 4.47Å; V114-L132 HydrophobicContact CG1-CD1 3.63Å; V114-L132 HydrophobicContact CG1-CD2 4.47Å; V114-L132 HydrophobicContact CG2-CD1 3.92Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; L132-H152 HydrophobicContact CD2-CB 4.09Å; L132-Q158 PolarHBondContact N-O 3.3Å; L132-Y159 HydrophobicContact CB-CD2 4.12Å; L132-Y159 HydrophobicContact CD2-CD2 3.94Å; L132-Y159 HydrophobicContact CD2-CE2 4.48Å; L132-Y159 HydrophobicContact CG-CD2 3.86Å; L132-Y159 HydrophobicContact CG-CE2 4.34Å; L132-Y159 VanDerWaalsContact O-CA 3.3Å; L132-Y159 WeakPolarHBondContact O-CA 3.32Å; L132-Y159 VanDerWaalsContact O-CD2 3.26Å; L132-Y159 WeakPolarHBondContact O-CD2 3.09Å; L132-Y160 PolarHBondContact O-N 3.25Å
133C98.8Very high95.1Very high0 Ų054.8 Ų54.80%026%0.261CS..EExtended strand (participates in β ladder)trans-117.6122.1-179.3-69.40000111.4I100 I101 M102 F103 Y160 I162 P173I100-C133 HydrophobicContact CG2-CB 4.21Å; I101-C133 PolarHBondContact O-N 2.97Å; M102-C133 WeakPolarHBondContact CA-O 2.99Å; F103-C133 WeakPolarHBondContact CD1-O 3.47Å; F103-C133 PolarHBondContact N-O 2.88Å; C133-Y160 WeakPolarHBondContact CA-O 3.18Å; C133-I162 HydrophobicContact CB-CD1 3.76Å; C133-I162 HydrophobicContact CB-CG1 4.16Å; C133-P173 VanDerWaalsContact SG-CG 3.52Å
134G98.5Very high95.3Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-91.5102.7167.300000109.9F103 Y160 I162F103-G134 VanDerWaalsContact CZ-CA 3.5Å; G134-Y160 PolarHBondContact N-O 3.49Å; G134-I162 PolarHBondContact O-N 3.21Å
135N98.4Very high95.4Very high4 Ų450 Ų502%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-88165.1-177.1-169.130.6000112.6T34 M102 F103 V105 I162 A164T34-N135 PolarHBondContact O-ND2 2.92Å; M102-N135 HydrophobicContact CG-CB 4.02Å; M102-N135 HydrophobicContact SD-CB 3.93Å; F103-N135 PolarHBondContact O-N 2.86Å; V105-N135 WeakPolarHBondContact CG2-O 3.35Å; V105-N135 PolarHBondContact N-O 3.1Å; N135-I162 CarbonylContact C-O 3.58Å; N135-I162 WeakPolarHBondContact CA-O 3.38Å; N135-I162 HydrophobicContact CB-CD1 4.2Å; N135-I162 HydrophobicContact CB-CG1 3.94Å; N135-I162 PolarHBondContact OD1-O 3.27Å; N135-A164 PolarHBondContact OD1-N 3.02Å; N135-A164 VanDerWaalsContact OD1-N 3.07Å
136K96.8Very high95.5Very high52 Ų5249.8 Ų49.823%0.22624%0.24CC..  trans70.132.3176.8-45.5-169.6-166.7166.70114.8G33 D104 D138 I139 I162G33-K136 WeakPolarHBondContact O-CE 3.18Å; G33-K136 PolarHBondContact O-NZ 3.25Å; D104-K136 VanDerWaalsContact OD2-CD 3.32Å; D104-K136 WeakPolarHBondContact OD2-CD 3.42Å; D104-K136 WeakPolarHBondContact OD2-CE 3.32Å; D104-K136 IonicContact OD2-NZ 2.66Å; D104-K136 PolarHBondContact OD2-NZ 3.49Å; K136-D138 WeakPolarHBondContact CA-OD1 3.35Å; K136-D138 PolarHBondContact O-N 3.01Å; K136-D138 VanDerWaalsContact O-N 3.15Å; K136-I139 HydrophobicContact CB-CD1 4.01Å; K136-I139 HydrophobicContact CB-CG1 4.44Å; K136-I139 HydrophobicContact CD-CD1 4.2Å; K136-I139 PolarHBondContact O-N 3.46Å; K136-I162 PolarHBondContact N-O 2.84Å
137V96.7Very high95.6Very high0 Ų050.5 Ų50.50%024%0.241CC..THydrogen-bonded Turntrans-66.1-12.5176.8-570000113.8V105 I139 D161 I162 Y168 M202 Y210V105-V137 HydrophobicContact CG1-CG1 4.01Å; V105-V137 HydrophobicContact CG2-CG1 4.11Å; V137-I139 PolarHBondContact O-N 3.05Å; V137-D161 HydrophobicContact CG1-CB 3.84Å; V137-I162 WeakPolarHBondContact CG2-O 3.49Å; V137-I162 PolarHBondContact N-O 2.75Å; V137-Y168 HydrophobicContact CG2-CD1 3.69Å; V137-Y168 HydrophobicContact CG2-CE1 4.2Å; V137-M202 HydrophobicContact CB-CE 4.43Å; V137-M202 HydrophobicContact CG2-CE 3.92Å; V137-M202 HydrophobicContact CG2-SD 4.26Å; V137-Y210 HydrophobicContact CB-CD2 4.25Å; V137-Y210 HydrophobicContact CB-CE2 4.07Å; V137-Y210 WeakPolarHBondContact O-CE2 3.19Å
138D94.1Very high95.8Very high29 Ų2945.4 Ų45.416%0.15522%0.218CC..THydrogen-bonded Turntrans-64.7-18.5170.256.8-72.1000113.1K136 S163 K165 M202K136-D138 WeakPolarHBondContact CA-OD1 3.35Å; K136-D138 PolarHBondContact O-N 3.01Å; K136-D138 VanDerWaalsContact O-N 3.15Å; D138-S163 VanDerWaalsContact CG-OG 3.24Å; D138-S163 VanDerWaalsContact OD1-CB 3.32Å; D138-S163 WeakPolarHBondContact OD1-CB 3.36Å; D138-S163 PolarHBondContact OD1-OG 3.44Å; D138-K165 WeakPolarHBondContact OD2-CD 3.48Å; D138-M202 HydrophobicContact CB-SD 4.34Å
139I93.8Very high95.7Very high68 Ų6844.1 Ų44.135%0.34921%0.211SC..SBendtrans-84.4120.7177.1-58.6176.1000109.6T106 K136 V137 D141T106-I139 HydrophobicContact CG2-CB 3.7Å; T106-I139 HydrophobicContact CG2-CD1 3.79Å; T106-I139 HydrophobicContact CG2-CG1 4.3Å; T106-I139 HydrophobicContact CG2-CG2 3.71Å; K136-I139 HydrophobicContact CB-CD1 4.01Å; K136-I139 HydrophobicContact CB-CG1 4.44Å; K136-I139 HydrophobicContact CD-CD1 4.2Å; K136-I139 PolarHBondContact O-N 3.46Å; V137-I139 PolarHBondContact O-N 3.05Å; I139-D141 VanDerWaalsContact C-N 3.3Å; I139-D141 PolarHBondContact O-N 3.23Å
140K90.9Very high95.6Very high174 Ų17443.9 Ų43.976%0.75721%0.209SC*.SBendtrans-61.3-34.5-177.9-67.4-173.6177.6-175.60113.6R142K140-R142 PolarHBondContact O-N 3.42Å
141D93.7Very high95.5Very high96 Ų9644.5 Ų44.551%0.51321%0.211SC..  trans-80.160-179.8-169.723000112.3I139 K143I139-D141 VanDerWaalsContact C-N 3.3Å; I139-D141 PolarHBondContact O-N 3.23Å; D141-K143 VanDerWaalsContact CG-CE 3.49Å; D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 WeakPolarHBondContact OD1-CE 3.5Å; D141-K143 IonicContact OD1-NZ 2.84Å; D141-K143 PolarHBondContact OD1-NZ 3.18Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.69Å; D141-K143 PolarHBondContact OD2-NZ 3.48Å
142R95.8Very high95.3Very high18 Ų1846 Ų467%0.06822%0.218CC..  trans-68.3118.3178.3-178.9174.6-176.515810.4110.5V105 K140 V144 D161 Y210V105-R142 HydrophobicContact CB-CG 4.08Å; V105-R142 HydrophobicContact CG2-CG 4.08Å; K140-R142 PolarHBondContact O-N 3.42Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NE-O 2.86Å; R142-D161 IonicContact CZ-OD1 2.68Å; R142-D161 IonicContact CZ-OD2 3.64Å; R142-D161 IonicContact NH1-OD1 3.22Å; R142-D161 IonicContact NH1-OD2 3.69Å; R142-D161 PolarHBondContact NH1-OD2 2.78Å; R142-D161 IonicContact NH2-OD1 2.69Å; R142-D161 PolarHBondContact NH2-OD1 2.95Å; R142-D161 IonicContact NH2-OD2 2.83Å; R142-D161 PolarHBondContact NH2-OD2 3.29Å; R142-Y210 VanDerWaalsContact NH1-CD1 3.25Å; R142-Y210 VanDerWaalsContact NH1-CG 3.3Å
143K96.8Very high95Very high82 Ų8249.8 Ų49.836%0.35723%0.233SC..SBendtrans-93.5-27.7-179.6-57.9-56.4-173.4-167.40114V105 T106 R108 D141V105-K143 PolarHBondContact O-N 2.91Å; T106-K143 WeakPolarHBondContact O-CG 3.13Å; R108-K143 HydrophobicContact CG-CB 3.93Å; R108-K143 PolarHBondContact NE-O 3.19Å; D141-K143 VanDerWaalsContact CG-CE 3.49Å; D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 WeakPolarHBondContact OD1-CE 3.5Å; D141-K143 IonicContact OD1-NZ 2.84Å; D141-K143 PolarHBondContact OD1-NZ 3.18Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.69Å; D141-K143 PolarHBondContact OD2-NZ 3.48Å
144V96.3Very high94.7Very high4 Ų452.7 Ų52.72%0.02425%0.246CC..SBendtrans-107.8103.3177.6-173.60000108.4F103 V105 R108 Y111 R142 I149F103-V144 HydrophobicContact CE2-CB 4.24Å; F103-V144 HydrophobicContact CE2-CG1 3.9Å; V105-V144 PolarHBondContact O-N 3.44Å; R108-V144 HydrophobicContact CB-CG2 4.45Å; R108-V144 HydrophobicContact CG-CG2 4.13Å; Y111-V144 HydrophobicContact CD1-CG1 4.02Å; Y111-V144 HydrophobicContact CD2-CG1 4.37Å; Y111-V144 HydrophobicContact CG-CG1 3.87Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NE-O 2.86Å; V144-I149 HydrophobicContact CG1-CD1 4.02Å; V144-I149 HydrophobicContact CG1-CG1 3.65Å
145K94.1Very high94.5Very high133 Ų13358 Ų5858%0.57827%0.269SS*.  trans-89.4159.9-174.7-60.5-172.4178-177.30111.2K147 S148 I149K145-K147 PolarHBondContact O-N 3.15Å; K145-K147 VanDerWaalsContact O-N 3.14Å; K145-S148 PolarHBondContact N-OG 3.08Å; K145-S148 VanDerWaalsContact N-OG 3.12Å; K145-S148 PolarHBondContact O-N 3.3Å; K145-S148 PolarHBondContact O-OG 2.91Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.27Å
146A92.3Very high94.3Very high3 Ų365.1 Ų65.13%0.02531%0.306CS..G310 helixtrans-46.2-46.6177.800000113.2S148 I149 E213 L214 A217A146-S148 PolarHBondContact O-N 3.07Å; A146-I149 PolarHBondContact O-N 2.97Å; A146-E213 HydrophobicContact CB-CB 3.87Å; A146-L214 HydrophobicContact CB-CD2 3.77Å; A146-L214 HydrophobicContact CB-CG 4.1Å; A146-A217 HydrophobicContact CB-CB 4.23Å
147K91.1Very high94.3Very high169 Ų16963.6 Ų63.674%0.73530%0.301SS*.G310 helixtrans-58.7-29.1178.7-63.2-173.5178.6-174.40114.8K145K145-K147 PolarHBondContact O-N 3.15Å; K145-K147 VanDerWaalsContact O-N 3.14Å
148S93.1Very high94.3Very high54 Ų5466.4 Ų66.438%0.37831%0.314SS..G310 helixtrans-84.3-12.7177.955.90000113.3Y111 K145 A146 V150Y111-S148 VanDerWaalsContact CE1-O 3.24Å; Y111-S148 WeakPolarHBondContact CE1-O 3.31Å; Y111-S148 PolarHBondContact OH-O 3.3Å; K145-S148 PolarHBondContact N-OG 3.08Å; K145-S148 VanDerWaalsContact N-OG 3.12Å; K145-S148 PolarHBondContact O-N 3.3Å; K145-S148 PolarHBondContact O-OG 2.91Å; A146-S148 PolarHBondContact O-N 3.07Å; S148-V150 PolarHBondContact O-N 2.84Å; S148-V150 VanDerWaalsContact O-N 3.1Å
149I95.4Very high94.5Very high3 Ų365.6 Ų65.62%0.01531%0.309CS..  trans-91.373.6-173.1-57.7162.6000109.1F103 Y111 L132 V144 K145 A146 H152 Y159F103-I149 HydrophobicContact CE2-CD1 4.42Å; F103-I149 HydrophobicContact CZ-CD1 3.9Å; F103-I149 HydrophobicContact CZ-CG1 4.14Å; F103-I149 HydrophobicContact CZ-CG2 4.37Å; Y111-I149 HydrophobicContact CE2-CB 4.41Å; Y111-I149 HydrophobicContact CE2-CG1 4.31Å; Y111-I149 HydrophobicContact CE2-CG2 3.97Å; Y111-I149 VanDerWaalsContact OH-CA 3.31Å; Y111-I149 WeakPolarHBondContact OH-CA 3.32Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; V144-I149 HydrophobicContact CG1-CD1 4.02Å; V144-I149 HydrophobicContact CG1-CG1 3.65Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.27Å; A146-I149 PolarHBondContact O-N 2.97Å; I149-H152 PolarHBondContact O-CE1 2.95Å; I149-H152 PolarHBondContact O-ND1 3.43Å; I149-Y159 HydrophobicContact CD1-CE1 4.32Å; I149-Y159 HydrophobicContact CD1-CE2 4.34Å; I149-Y159 WeakPolarHBondContact CD1-OH 3.38Å; I149-Y159 HydrophobicContact CG2-CD2 3.82Å; I149-Y159 HydrophobicContact CG2-CE1 4.44Å; I149-Y159 HydrophobicContact CG2-CE2 3.72Å; I149-Y159 HydrophobicContact CG2-CG 4.21Å
150V95.8Very high94.7Very high25 Ų2564.3 Ų64.315%0.15230%0.3CS..  trans-100.9-15.6-176.4-63.20000114.1Y111 S148 H152 R153 K154 L222Y111-V150 PolarHBondContact OH-N 2.95Å; S148-V150 PolarHBondContact O-N 2.84Å; S148-V150 VanDerWaalsContact O-N 3.1Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.85Å; V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 2.73Å; V150-K154 PolarHBondContact O-N 2.71Å; V150-L222 HydrophobicContact CB-CD2 3.87Å; V150-L222 HydrophobicContact CG1-CD2 4.09Å
151F95.9Very high95.1Very high20 Ų2056.1 Ų56.19%0.08826%0.264CS..Hα-helixtrans-58.5-39.4-172-176.5-98.9000113Y111 V114 P115 H118 R153 K154 K155 L157Y111-F151 HydrophobicContact CE2-CB 4.44Å; Y111-F151 WeakPolarHBondContact OH-CB 3.39Å; Y111-F151 PolarHBondContact OH-N 3.28Å; Y111-F151 VanDerWaalsContact OH-N 3.09Å; V114-F151 HydrophobicContact CG1-CD1 3.5Å; V114-F151 VanDerWaalsContact CG1-CD1 3.5Å; V114-F151 HydrophobicContact CG1-CE1 3.74Å; V114-F151 HydrophobicContact CG1-CG 4.11Å; P115-F151 HydrophobicContact CB-CD2 4.35Å; P115-F151 HydrophobicContact CB-CE2 3.72Å; P115-F151 HydrophobicContact CB-CZ 4.24Å; P115-F151 HydrophobicContact CG-CD2 3.82Å; P115-F151 HydrophobicContact CG-CE2 3.7Å; P115-F151 HydrophobicContact CG-CZ 4.45Å; H118-F151 HydrophobicContact CB-CE1 3.74Å; H118-F151 HydrophobicContact CB-CZ 3.61Å; H118-F151 AromaticContact CD2-CE1 3.92Å; H118-F151 AromaticContact CG-CE1 3.78Å; H118-F151 AromaticContact CG-CZ 3.61Å; H118-F151 AromaticContact ND1-CZ 3.97Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 2.96Å; F151-K154 PolarHBondContact O-N 2.96Å; F151-K155 HydrophobicContact CD1-CG 4.5Å; F151-K155 HydrophobicContact CD2-CG 4.5Å; F151-K155 HydrophobicContact CE1-CB 4.38Å; F151-K155 HydrophobicContact CE1-CG 3.9Å; F151-K155 HydrophobicContact CE2-CG 3.9Å; F151-K155 HydrophobicContact CZ-CG 3.57Å; F151-K155 PolarHBondContact O-N 3.3Å; F151-L157 HydrophobicContact CD1-CD1 4.22Å; F151-L157 HydrophobicContact CE1-CD1 3.98Å
152H94.8Very high95.3Very high32 Ų3251.6 Ų51.615%0.14824%0.24CC..Hα-helixtrans-59.8-36.3178.673.1-81.9000112.3L132 I149 V150 K155 N156 L157L132-H152 HydrophobicContact CD2-CB 4.09Å; I149-H152 PolarHBondContact O-CE1 2.95Å; I149-H152 PolarHBondContact O-ND1 3.43Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.85Å; H152-K155 CarbonylContact O-C 3.53Å; H152-K155 PolarHBondContact O-N 3.31Å; H152-N156 CarbonylContact O-C 3.59Å; H152-N156 WeakPolarHBondContact O-CA 3.31Å; H152-N156 PolarHBondContact O-N 3.5Å; H152-L157 HydrophobicContact CB-CB 4.04Å; H152-L157 PolarHBondContact O-N 3.25Å
153R93.1Very high95.3Very high79 Ų7950.7 Ų50.730%0.29824%0.237SC..Hα-helixtrans-70.9-42.7176.1-63.217562.6-165.5-0111.5V150 F151 K155 N156 A217 T220 L222V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 2.73Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 2.96Å; R153-K155 PolarHBondContact O-N 2.81Å; R153-N156 PolarHBondContact O-N 3.08Å; R153-A217 PolarHBondContact NH1-O 3.24Å; R153-A217 VanDerWaalsContact NH1-O 3.1Å; R153-T220 PolarHBondContact NH1-O 2.78Å; R153-T220 PolarHBondContact NH2-O 2.86Å; R153-L222 HydrophobicContact CB-CD1 4.15Å; R153-L222 HydrophobicContact CB-CD2 3.87Å; R153-L222 HydrophobicContact CG-CD2 4.47Å
154K92.5Very high95.1Very high62 Ų6246.9 Ų46.927%0.2722%0.22SC..Hα-helixtrans-60.6-29.1176.9-64-170.9178.7-168.10112.7V150 F151 L222 D228V150-K154 PolarHBondContact O-N 2.71Å; F151-K154 PolarHBondContact O-N 2.96Å; K154-L222 HydrophobicContact CG-CD1 4.37Å; K154-D228 IonicContact NZ-OD2 2.72Å; K154-D228 PolarHBondContact NZ-OD2 3.07Å
155K94.1Very high94.8Very high112 Ų11249.8 Ų49.849%0.48723%0.233SC..THydrogen-bonded Turntrans-113.58.3-177.8-61.8-57.1-179.1-1690114.8F151 H152 R153 L157F151-K155 HydrophobicContact CD1-CG 4.5Å; F151-K155 HydrophobicContact CD2-CG 4.5Å; F151-K155 HydrophobicContact CE1-CB 4.38Å; F151-K155 HydrophobicContact CE1-CG 3.9Å; F151-K155 HydrophobicContact CE2-CG 3.9Å; F151-K155 HydrophobicContact CZ-CG 3.57Å; F151-K155 PolarHBondContact O-N 3.3Å; H152-K155 CarbonylContact O-C 3.53Å; H152-K155 PolarHBondContact O-N 3.31Å; R153-K155 PolarHBondContact O-N 2.81Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 HydrophobicContact CB-CD1 4.15Å; K155-L157 HydrophobicContact CB-CD2 4.16Å; K155-L157 HydrophobicContact CB-CG 3.83Å; K155-L157 WeakPolarHBondContact O-CD2 3.38Å; K155-L157 PolarHBondContact O-N 2.68Å
156N93.1Very high94.6Very high152 Ų15244 Ų4481%0.81321%0.209SC*.THydrogen-bonded Turntrans53.243.9-177.3-166.431.3000114.2H152 R153H152-N156 CarbonylContact O-C 3.59Å; H152-N156 WeakPolarHBondContact O-CA 3.31Å; H152-N156 PolarHBondContact O-N 3.5Å; R153-N156 PolarHBondContact O-N 3.08Å
157L96.6Very high94.5Very high20 Ų2045.4 Ų45.411%0.10522%0.216CC..  trans-97.7152.9176.7-45.3-176.9000110.3I130 F151 H152 K155I130-L157 HydrophobicContact CB-CD2 4Å; I130-L157 HydrophobicContact CD1-CD2 4.49Å; I130-L157 HydrophobicContact CG2-CD1 4.31Å; I130-L157 HydrophobicContact CG2-CD2 4.48Å; F151-L157 HydrophobicContact CD1-CD1 4.22Å; F151-L157 HydrophobicContact CE1-CD1 3.98Å; H152-L157 HydrophobicContact CB-CB 4.04Å; H152-L157 PolarHBondContact O-N 3.25Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 HydrophobicContact CB-CD1 4.15Å; K155-L157 HydrophobicContact CB-CD2 4.16Å; K155-L157 HydrophobicContact CB-CG 3.83Å; K155-L157 WeakPolarHBondContact O-CD2 3.38Å; K155-L157 PolarHBondContact O-N 2.68Å
158Q97.6Very high94.6Very high59 Ų5939.1 Ų39.128%0.27619%0.188SC..EExtended strand (participates in β ladder)trans-78.1140.1167.1-177.661.452.500110.3V131 L132 Y160 W176V131-Q158 WeakPolarHBondContact CA-O 3.48Å; V131-Q158 HydrophobicContact CG2-CB 4.35Å; L132-Q158 PolarHBondContact N-O 3.3Å; Q158-Y160 HydrophobicContact CG-CD2 4.01Å; Q158-Y160 HydrophobicContact CG-CE1 4.48Å; Q158-Y160 HydrophobicContact CG-CE2 3.33Å; Q158-W176 HydrophobicContact CB-CD2 3.69Å; Q158-W176 VanDerWaalsContact CB-CE2 3.42Å; Q158-W176 HydrophobicContact CB-CE3 4.09Å; Q158-W176 HydrophobicContact CB-CG 4.15Å; Q158-W176 HydrophobicContact CB-CH2 4.02Å; Q158-W176 HydrophobicContact CB-CZ2 3.61Å; Q158-W176 HydrophobicContact CB-CZ3 4.23Å; Q158-W176 HydrophobicContact CG-CD2 3.94Å; Q158-W176 HydrophobicContact CG-CG 3.83Å; Q158-W176 VanDerWaalsContact OE1-NE1 3.13Å
159Y98.3Very high94.7Very high12 Ų1237.8 Ų37.85%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-113.8142.1173.3178.4-102.7000112F103 L132 I149 D161 L214F103-Y159 AromaticContact CE1-CE2 3.69Å; F103-Y159 HydrophobicContact CE1-CE2 3.69Å; F103-Y159 AromaticContact CZ-CE2 3.75Å; F103-Y159 HydrophobicContact CZ-CE2 3.75Å; L132-Y159 HydrophobicContact CB-CD2 4.12Å; L132-Y159 HydrophobicContact CD2-CD2 3.94Å; L132-Y159 HydrophobicContact CD2-CE2 4.48Å; L132-Y159 HydrophobicContact CG-CD2 3.86Å; L132-Y159 HydrophobicContact CG-CE2 4.34Å; L132-Y159 VanDerWaalsContact O-CA 3.3Å; L132-Y159 WeakPolarHBondContact O-CA 3.32Å; L132-Y159 VanDerWaalsContact O-CD2 3.26Å; L132-Y159 WeakPolarHBondContact O-CD2 3.09Å; I149-Y159 HydrophobicContact CD1-CE1 4.32Å; I149-Y159 HydrophobicContact CD1-CE2 4.34Å; I149-Y159 WeakPolarHBondContact CD1-OH 3.38Å; I149-Y159 HydrophobicContact CG2-CD2 3.82Å; I149-Y159 HydrophobicContact CG2-CE1 4.44Å; I149-Y159 HydrophobicContact CG2-CE2 3.72Å; I149-Y159 HydrophobicContact CG2-CG 4.21Å; Y159-D161 WeakPolarHBondContact CE1-OD1 3Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 2.87Å; Y159-L214 HydrophobicContact CD1-CD1 4.33Å; Y159-L214 HydrophobicContact CD1-CD2 3.7Å; Y159-L214 HydrophobicContact CE1-CD1 3.95Å; Y159-L214 HydrophobicContact CE1-CD2 3.47Å; Y159-L214 VanDerWaalsContact CE1-CD2 3.47Å; Y159-L214 HydrophobicContact CE1-CG 4.37Å
160Y98.4Very high94.4Very high42 Ų4237.9 Ų37.917%0.16518%0.177CC..EExtended strand (participates in β ladder)trans-138.3134.3166.1-66.1-66.4000112V131 L132 C133 G134 Q158 K172 P173 W176V131-Y160 HydrophobicContact CG1-CD2 3.75Å; V131-Y160 HydrophobicContact CG1-CE2 4.26Å; L132-Y160 PolarHBondContact O-N 3.25Å; C133-Y160 WeakPolarHBondContact CA-O 3.18Å; G134-Y160 PolarHBondContact N-O 3.49Å; Q158-Y160 HydrophobicContact CG-CD2 4.01Å; Q158-Y160 HydrophobicContact CG-CE1 4.48Å; Q158-Y160 HydrophobicContact CG-CE2 3.33Å; Y160-K172 HydrophobicContact CD1-CB 3.94Å; Y160-K172 HydrophobicContact CD1-CD 3.84Å; Y160-K172 HydrophobicContact CD2-CB 4.07Å; Y160-K172 HydrophobicContact CE1-CB 3.9Å; Y160-K172 HydrophobicContact CE1-CD 3.8Å; Y160-K172 HydrophobicContact CE1-CG 4.43Å; Y160-K172 HydrophobicContact CE2-CB 4Å; Y160-K172 HydrophobicContact CG-CB 4.04Å; Y160-P173 HydrophobicContact CD2-CG 4.14Å; Y160-W176 HydrophobicContact CE2-CB 4.04Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å
161D98.1Very high94.2Very high2 Ų239.6 Ų39.61%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-70.9126.5157.1-90.4-2.2000108.3V137 R142 Y159 Y168 N169 L214V137-D161 HydrophobicContact CG1-CB 3.84Å; R142-D161 IonicContact CZ-OD1 2.68Å; R142-D161 IonicContact CZ-OD2 3.64Å; R142-D161 IonicContact NH1-OD1 3.22Å; R142-D161 IonicContact NH1-OD2 3.69Å; R142-D161 PolarHBondContact NH1-OD2 2.78Å; R142-D161 IonicContact NH2-OD1 2.69Å; R142-D161 PolarHBondContact NH2-OD1 2.95Å; R142-D161 IonicContact NH2-OD2 2.83Å; R142-D161 PolarHBondContact NH2-OD2 3.29Å; Y159-D161 WeakPolarHBondContact CE1-OD1 3Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 2.87Å; D161-Y168 HydrophobicContact CB-CE1 4.29Å; D161-N169 WeakPolarHBondContact O-CB 3.18Å; D161-N169 PolarHBondContact O-ND2 3.16Å; D161-L214 HydrophobicContact CB-CD1 4.21Å
162I97.6Very high94.2Very high0 Ų041.9 Ų41.90%019%0.193CC..  trans-132.4157.9178.368168.3000111.3F39 M102 C133 G134 N135 K136 V137 Y168 N169 P173F39-I162 HydrophobicContact CD2-CD1 3.75Å; F39-I162 HydrophobicContact CE2-CD1 3.69Å; F39-I162 HydrophobicContact CZ-CD1 4.46Å; M102-I162 HydrophobicContact CE-CD1 3.83Å; C133-I162 HydrophobicContact CB-CD1 3.76Å; C133-I162 HydrophobicContact CB-CG1 4.16Å; G134-I162 PolarHBondContact O-N 3.21Å; N135-I162 CarbonylContact C-O 3.58Å; N135-I162 WeakPolarHBondContact CA-O 3.38Å; N135-I162 HydrophobicContact CB-CD1 4.2Å; N135-I162 HydrophobicContact CB-CG1 3.94Å; N135-I162 PolarHBondContact OD1-O 3.27Å; K136-I162 PolarHBondContact N-O 2.84Å; V137-I162 WeakPolarHBondContact CG2-O 3.49Å; V137-I162 PolarHBondContact N-O 2.75Å; I162-Y168 WeakPolarHBondContact CA-O 3.37Å; I162-N169 HydrophobicContact CG2-CB 4.12Å; I162-P173 HydrophobicContact CG2-CG 4.26Å
163S96.3Very high94.3Very high0 Ų040.3 Ų40.30%019%0.186CC..BIsolated β-bridgetrans-137.1108.9164.8165.90000109.8D138 K165 S166 N167 Y168D138-S163 VanDerWaalsContact CG-OG 3.24Å; D138-S163 VanDerWaalsContact OD1-CB 3.32Å; D138-S163 WeakPolarHBondContact OD1-CB 3.36Å; D138-S163 PolarHBondContact OD1-OG 3.44Å; S163-K165 PolarHBondContact O-N 3.49Å; S163-K165 VanDerWaalsContact O-N 3.16Å; S163-K165 PolarHBondContact OG-N 2.97Å; S163-S166 WeakPolarHBondContact CB-OG 3.36Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 PolarHBondContact OG-N 3.08Å; S163-S166 VanDerWaalsContact OG-N 3.11Å; S163-S166 PolarHBondContact OG-OG 3.08Å; S163-N167 WeakPolarHBondContact O-CA 3.36Å; S163-N167 PolarHBondContact O-N 2.97Å; S163-Y168 PolarHBondContact N-O 3.18Å; S163-Y168 PolarHBondContact O-N 3.34Å
164A92.3Very high94.5Very high2 Ų236.6 Ų36.62%0.01717%0.172CC..THydrogen-bonded Turntrans-61-19.6171.100000112.2T38 F39 R42 N135 F170T38-A164 HydrophobicContact CG2-CB 4.29Å; F39-A164 HydrophobicContact CB-CB 4.28Å; R42-A164 WeakPolarHBondContact CD-O 3.21Å; R42-A164 PolarHBondContact NE-O 3.09Å; R42-A164 VanDerWaalsContact NE-O 3.1Å; R42-A164 PolarHBondContact NH1-O 3.18Å; N135-A164 PolarHBondContact OD1-N 3.02Å; N135-A164 VanDerWaalsContact OD1-N 3.07Å; A164-F170 HydrophobicContact CB-CE2 4.25Å
165K90.6Very high94.8Very high65 Ų6535 Ų3528%0.28317%0.166SC..THydrogen-bonded Turntrans-82.1-31.7178.9-163.6179.4-170.1-170.80113.3R42 F48 D138 S163 E199 V200R42-K165 VanDerWaalsContact NH1-C 3.28Å; R42-K165 PolarHBondContact NH1-O 3.12Å; R42-K165 VanDerWaalsContact NH2-C 3.29Å; R42-K165 PolarHBondContact NH2-O 2.89Å; F48-K165 HydrophobicContact CD2-CB 4.35Å; F48-K165 HydrophobicContact CD2-CG 4.27Å; F48-K165 HydrophobicContact CE1-CG 4.37Å; F48-K165 HydrophobicContact CE2-CB 3.75Å; F48-K165 HydrophobicContact CE2-CG 3.82Å; F48-K165 HydrophobicContact CZ-CB 4.17Å; F48-K165 HydrophobicContact CZ-CD 4.23Å; F48-K165 HydrophobicContact CZ-CG 3.88Å; D138-K165 WeakPolarHBondContact OD2-CD 3.48Å; S163-K165 PolarHBondContact O-N 3.49Å; S163-K165 VanDerWaalsContact O-N 3.16Å; S163-K165 PolarHBondContact OG-N 2.97Å; K165-E199 HydrophobicContact CG-CB 4.22Å; K165-E199 PolarHBondContact O-N 2.85Å; K165-V200 HydrophobicContact CD-CB 4.2Å; K165-V200 HydrophobicContact CD-CG2 3.78Å; K165-V200 VanDerWaalsContact CE-CG2 3.42Å; K165-V200 HydrophobicContact CG-CB 4.31Å; K165-V200 HydrophobicContact CG-CG2 4.27Å
166S90.1Very high95Very high11 Ų1131.7 Ų31.78%0.07715%0.15CC..THydrogen-bonded Turntrans-109.8-1.7-176.163.20000114.8S163 Y168 P198 V200S163-S166 WeakPolarHBondContact CB-OG 3.36Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 PolarHBondContact OG-N 3.08Å; S163-S166 VanDerWaalsContact OG-N 3.11Å; S163-S166 PolarHBondContact OG-OG 3.08Å; S166-Y168 PolarHBondContact O-N 3.41Å; S166-Y168 WeakPolarHBondContact OG-CB 3.34Å; S166-Y168 PolarHBondContact OG-N 3.38Å; S166-P198 WeakPolarHBondContact O-CB 3.31Å; S166-V200 WeakPolarHBondContact CA-O 3.22Å; S166-V200 WeakPolarHBondContact CB-O 3.22Å
167N90.3Very high95.2Very high33 Ų3324.4 Ų24.418%0.17611%0.112CC..THydrogen-bonded Turntrans62.713.4-168.5-57-33.3000114R42 S163 N169 F170 L195 A196R42-N167 PolarHBondContact NE-OD1 3.06Å; R42-N167 PolarHBondContact NH2-ND2 3.33Å; R42-N167 PolarHBondContact NH2-OD1 3.3Å; S163-N167 WeakPolarHBondContact O-CA 3.36Å; S163-N167 PolarHBondContact O-N 2.97Å; N167-N169 PolarHBondContact O-N 2.85Å; N167-F170 HydrophobicContact CB-CB 4.41Å; N167-F170 WeakPolarHBondContact O-CB 3.49Å; N167-F170 PolarHBondContact O-N 3.27Å; N167-L195 HydrophobicContact CB-CD1 4.32Å; N167-A196 PolarHBondContact ND2-O 3.27Å
168Y93.3Very high95.2Very high37 Ų3723.5 Ų23.515%0.14511%0.107CC..BIsolated β-bridgetrans-63.8124.8178.7-176.7-109.9000111.3V137 D161 I162 S163 S166 F170 M202 A207V137-Y168 HydrophobicContact CG2-CD1 3.69Å; V137-Y168 HydrophobicContact CG2-CE1 4.2Å; D161-Y168 HydrophobicContact CB-CE1 4.29Å; I162-Y168 WeakPolarHBondContact CA-O 3.37Å; S163-Y168 PolarHBondContact N-O 3.18Å; S163-Y168 PolarHBondContact O-N 3.34Å; S166-Y168 PolarHBondContact O-N 3.41Å; S166-Y168 WeakPolarHBondContact OG-CB 3.34Å; S166-Y168 PolarHBondContact OG-N 3.38Å; Y168-F170 PolarHBondContact O-N 2.91Å; Y168-F170 VanDerWaalsContact O-N 3.08Å; Y168-M202 HydrophobicContact CD2-CB 4.44Å; Y168-M202 HydrophobicContact CD2-CG 4.03Å; Y168-M202 HydrophobicContact CG-CG 4.1Å; Y168-A207 HydrophobicContact CD2-CB 4.41Å; Y168-A207 HydrophobicContact CE2-CB 3.67Å
169N93.6Very high95.2Very high26 Ų2624.3 Ų24.314%0.13911%0.108CC..THydrogen-bonded Turntrans52.323.8-178.1-69.7-26.3000115D161 I162 N167 E171 K172 P173D161-N169 WeakPolarHBondContact O-CB 3.18Å; D161-N169 PolarHBondContact O-ND2 3.16Å; I162-N169 HydrophobicContact CG2-CB 4.12Å; N167-N169 PolarHBondContact O-N 2.85Å; N169-E171 VanDerWaalsContact C-N 3.3Å; N169-E171 PolarHBondContact O-N 3.07Å; N169-K172 HydrophobicContact CB-CB 4.47Å; N169-K172 HydrophobicContact CB-CD 3.91Å; N169-K172 HydrophobicContact CB-CG 4.18Å; N169-K172 PolarHBondContact O-N 2.97Å; N169-K172 VanDerWaalsContact OD1-CD 3.31Å; N169-K172 WeakPolarHBondContact OD1-CD 3.48Å; N169-K172 WeakPolarHBondContact OD1-CE 3.35Å; N169-K172 PolarHBondContact OD1-NZ 2.99Å; N169-P173 WeakPolarHBondContact O-CD 3.49Å
170F89.3Confident95.2Very high5 Ų529.8 Ų29.82%0.02213%0.131CC..THydrogen-bonded Turntrans-60.8-36-167.3-163.6-121.2000113.9F39 R42 H43 A164 N167 Y168 L195F39-F170 AromaticContact CD2-CD2 3.59Å; F39-F170 HydrophobicContact CD2-CD2 3.59Å; F39-F170 AromaticContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CZ 4.22Å; F39-F170 AromaticContact CE2-CD2 3.54Å; F39-F170 HydrophobicContact CE2-CD2 3.54Å; F39-F170 AromaticContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CG 4.3Å; F39-F170 HydrophobicContact CG-CE2 4.08Å; F39-F170 WeakPolarHBondContact O-CZ 3.37Å; R42-F170 HydrophobicContact CB-CE1 4.4Å; R42-F170 HydrophobicContact CB-CE2 4.43Å; R42-F170 HydrophobicContact CB-CZ 3.66Å; R42-F170 HydrophobicContact CG-CE1 4.11Å; R42-F170 HydrophobicContact CG-CE2 4.43Å; R42-F170 HydrophobicContact CG-CZ 3.7Å; H43-F170 HydrophobicContact CB-CE1 4.37Å; H43-F170 AromaticContact CD2-CD1 3.9Å; H43-F170 AromaticContact CD2-CE1 3.57Å; H43-F170 AromaticContact CE1-CD1 3.18Å; H43-F170 WeakPolarHBondContact CE1-CD1 3.36Å; H43-F170 AromaticContact CE1-CD2 3.87Å; H43-F170 AromaticContact CE1-CE1 2.91Å; H43-F170 WeakPolarHBondContact CE1-CE1 3.48Å; H43-F170 AromaticContact CE1-CE2 3.62Å; H43-F170 AromaticContact CE1-CG 3.65Å; H43-F170 AromaticContact CE1-CZ 3.12Å; H43-F170 WeakPolarHBondContact CE1-CZ 3.44Å; H43-F170 AromaticContact CG-CE1 3.43Å; H43-F170 VanDerWaalsContact CG-CE1 3.43Å; H43-F170 AromaticContact CG-CZ 3.84Å; H43-F170 AromaticContact ND1-CD1 3.82Å; H43-F170 AromaticContact ND1-CE1 3.04Å; H43-F170 WeakPolarHBondContact ND1-CE1 3.48Å; H43-F170 AromaticContact ND1-CE2 3.86Å; H43-F170 AromaticContact ND1-CZ 3.04Å; H43-F170 WeakPolarHBondContact ND1-CZ 3.5Å; H43-F170 AromaticContact NE2-CD1 3.24Å; H43-F170 WeakPolarHBondContact NE2-CD1 3.25Å; H43-F170 AromaticContact NE2-CE1 3.28Å; H43-F170 VanDerWaalsContact NE2-CE1 3.28Å; H43-F170 WeakPolarHBondContact NE2-CE1 3.46Å; H43-F170 AromaticContact NE2-CG 3.95Å; H43-F170 AromaticContact NE2-CZ 3.97Å; A164-F170 HydrophobicContact CB-CE2 4.25Å; N167-F170 HydrophobicContact CB-CB 4.41Å; N167-F170 WeakPolarHBondContact O-CB 3.49Å; N167-F170 PolarHBondContact O-N 3.27Å; Y168-F170 PolarHBondContact O-N 2.91Å; Y168-F170 VanDerWaalsContact O-N 3.08Å; F170-L195 HydrophobicContact CD1-CD1 3.71Å; F170-L195 HydrophobicContact CD1-CD2 4.05Å; F170-L195 HydrophobicContact CE1-CD1 4.17Å; F170-L195 HydrophobicContact CE1-CD2 3.67Å
171E91.9Very high95.1Very high60 Ų6029.2 Ų29.228%0.2813%0.131SC..THydrogen-bonded Turntrans-88.8-18.4-178.870.4-169.3158.900114.1N169 F174 L175 F189N169-E171 VanDerWaalsContact C-N 3.3Å; N169-E171 PolarHBondContact O-N 3.07Å; E171-F174 PolarHBondContact O-N 3.11Å; E171-F174 VanDerWaalsContact O-N 3.08Å; E171-L175 PolarHBondContact O-N 2.83Å; E171-F189 HydrophobicContact CB-CD2 4.17Å; E171-F189 HydrophobicContact CB-CE2 4.03Å; E171-F189 HydrophobicContact CG-CD2 4.5Å
172K95.9Very high94.9Very high68 Ų6832 Ų3230%0.29615%0.145SC..Hα-helixtrans-56.6-42.1-173.4-69.4-167.51761680113.3Y160 N169 F174 L175 W176Y160-K172 HydrophobicContact CD1-CB 3.94Å; Y160-K172 HydrophobicContact CD1-CD 3.84Å; Y160-K172 HydrophobicContact CD2-CB 4.07Å; Y160-K172 HydrophobicContact CE1-CB 3.9Å; Y160-K172 HydrophobicContact CE1-CD 3.8Å; Y160-K172 HydrophobicContact CE1-CG 4.43Å; Y160-K172 HydrophobicContact CE2-CB 4Å; Y160-K172 HydrophobicContact CG-CB 4.04Å; N169-K172 HydrophobicContact CB-CB 4.47Å; N169-K172 HydrophobicContact CB-CD 3.91Å; N169-K172 HydrophobicContact CB-CG 4.18Å; N169-K172 PolarHBondContact O-N 2.97Å; N169-K172 VanDerWaalsContact OD1-CD 3.31Å; N169-K172 WeakPolarHBondContact OD1-CD 3.48Å; N169-K172 WeakPolarHBondContact OD1-CE 3.35Å; N169-K172 PolarHBondContact OD1-NZ 2.99Å; K172-F174 PolarHBondContact O-N 2.58Å; K172-L175 PolarHBondContact O-N 3.27Å; K172-W176 WeakPolarHBondContact O-CB 3.49Å; K172-W176 PolarHBondContact O-N 2.79Å
173P98.2Very high94.7Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-58.1-46175.4-26.236.2000112.8F39 I100 V131 C133 Y160 I162 N169 L177F39-P173 HydrophobicContact CZ-CG 4.41Å; I100-P173 HydrophobicContact CD1-CB 3.84Å; I100-P173 HydrophobicContact CG1-CB 4.45Å; V131-P173 HydrophobicContact CB-CB 4.44Å; V131-P173 HydrophobicContact CG1-CB 4Å; V131-P173 HydrophobicContact CG1-CG 4.4Å; C133-P173 VanDerWaalsContact SG-CG 3.52Å; Y160-P173 HydrophobicContact CD2-CG 4.14Å; I162-P173 HydrophobicContact CG2-CG 4.26Å; N169-P173 WeakPolarHBondContact O-CD 3.49Å; P173-L177 WeakPolarHBondContact O-CB 3.43Å; P173-L177 VanDerWaalsContact O-CG 3.26Å; P173-L177 WeakPolarHBondContact O-CG 3.44Å; P173-L177 PolarHBondContact O-N 3.47Å
174F97.5Very high94.7Very high1 Ų136.2 Ų36.20%0.00418%0.182CC..Hα-helixtrans-68.9-38.5-178.8-65.4-80.9000112.4L26 F39 H43 L63 F65 Y74 V76 I100 E171 K172 L177 A178 F189L26-F174 HydrophobicContact CD1-CD1 4.08Å; L26-F174 HydrophobicContact CD1-CE1 3.84Å; F39-F174 AromaticContact CE1-CE2 3.43Å; F39-F174 HydrophobicContact CE1-CE2 3.43Å; F39-F174 VanDerWaalsContact CE1-CE2 3.43Å; F39-F174 AromaticContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CZ-CD2 4.24Å; F39-F174 AromaticContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CE2 3.41Å; F39-F174 VanDerWaalsContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CZ 4.12Å; H43-F174 AromaticContact CE1-CE2 3.31Å; H43-F174 WeakPolarHBondContact CE1-CE2 3.34Å; H43-F174 AromaticContact ND1-CE2 3.93Å; H43-F174 AromaticContact NE2-CD2 3.7Å; H43-F174 AromaticContact NE2-CE2 3.38Å; H43-F174 WeakPolarHBondContact NE2-CE2 3.13Å; L63-F174 HydrophobicContact CD1-CE1 3.95Å; L63-F174 HydrophobicContact CD1-CZ 3.73Å; F65-F174 HydrophobicContact CE1-CB 4.08Å; F65-F174 HydrophobicContact CE1-CD2 4.28Å; F65-F174 HydrophobicContact CE1-CG 4.14Å; F65-F174 HydrophobicContact CE2-CB 4.16Å; F65-F174 AromaticContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD2 4.46Å; F65-F174 HydrophobicContact CE2-CE1 4.12Å; F65-F174 AromaticContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CZ-CB 3.81Å; F65-F174 AromaticContact CZ-CD1 3.72Å; F65-F174 HydrophobicContact CZ-CD1 3.72Å; F65-F174 AromaticContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CE1 4.16Å; F65-F174 HydrophobicContact CZ-CE2 4.13Å; F65-F174 AromaticContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CG 3.45Å; F65-F174 VanDerWaalsContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CZ 4.34Å; Y74-F174 AromaticContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CE1 4.33Å; Y74-F174 HydrophobicContact CE2-CB 4.17Å; Y74-F174 AromaticContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CG-CD1 4.17Å; Y74-F174 PolarHBondContact OH-O 3.49Å; V76-F174 HydrophobicContact CG2-CE1 4.19Å; I100-F174 HydrophobicContact CD1-CE1 4.5Å; I100-F174 HydrophobicContact CD1-CZ 4.38Å; E171-F174 PolarHBondContact O-N 3.11Å; E171-F174 VanDerWaalsContact O-N 3.08Å; K172-F174 PolarHBondContact O-N 2.58Å; F174-L177 PolarHBondContact O-N 3.11Å; F174-A178 VanDerWaalsContact O-CB 3.32Å; F174-A178 WeakPolarHBondContact O-CB 3.48Å; F174-A178 PolarHBondContact O-N 2.78Å; F174-F189 HydrophobicContact CB-CE2 4.28Å; F174-F189 HydrophobicContact CB-CZ 4.01Å
175L97.2Very high94.8Very high28 Ų2840.5 Ų40.515%0.14721%0.21CC..Hα-helixtrans-65.7-44.8178.1-177.659.9000111.4E171 K172 A178 R179 L187 F189E171-L175 PolarHBondContact O-N 2.83Å; K172-L175 PolarHBondContact O-N 3.27Å; L175-A178 PolarHBondContact O-N 3.42Å; L175-R179 WeakPolarHBondContact O-CG 3.28Å; L175-R179 PolarHBondContact O-N 3.36Å; L175-L187 HydrophobicContact CD1-CD2 3.72Å; L175-F189 HydrophobicContact CB-CD2 4.36Å; L175-F189 HydrophobicContact CB-CE2 3.8Å; L175-F189 HydrophobicContact CB-CZ 3.93Å; L175-F189 HydrophobicContact CD1-CD1 3.96Å; L175-F189 HydrophobicContact CD1-CD2 4.38Å; L175-F189 HydrophobicContact CD1-CE1 3.95Å; L175-F189 HydrophobicContact CD1-CE2 4.36Å; L175-F189 HydrophobicContact CD1-CG 4.2Å; L175-F189 HydrophobicContact CD1-CZ 4.16Å
176W98.3Very high95Very high42 Ų4242.6 Ų42.616%0.15923%0.225CC..Hα-helixtrans-63.1-44.3176.9-174.696.9000111.8P129 V131 Q158 Y160 K172 A178 R179 K180P129-W176 HydrophobicContact CB-CH2 4.34Å; P129-W176 HydrophobicContact CB-CZ3 3.86Å; V131-W176 HydrophobicContact CG2-CD2 4.23Å; V131-W176 HydrophobicContact CG2-CE3 3.42Å; V131-W176 VanDerWaalsContact CG2-CE3 3.42Å; V131-W176 HydrophobicContact CG2-CZ3 3.85Å; Q158-W176 HydrophobicContact CB-CD2 3.69Å; Q158-W176 VanDerWaalsContact CB-CE2 3.42Å; Q158-W176 HydrophobicContact CB-CE3 4.09Å; Q158-W176 HydrophobicContact CB-CG 4.15Å; Q158-W176 HydrophobicContact CB-CH2 4.02Å; Q158-W176 HydrophobicContact CB-CZ2 3.61Å; Q158-W176 HydrophobicContact CB-CZ3 4.23Å; Q158-W176 HydrophobicContact CG-CD2 3.94Å; Q158-W176 HydrophobicContact CG-CG 3.83Å; Q158-W176 VanDerWaalsContact OE1-NE1 3.13Å; Y160-W176 HydrophobicContact CE2-CB 4.04Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å; K172-W176 WeakPolarHBondContact O-CB 3.49Å; K172-W176 PolarHBondContact O-N 2.79Å; W176-A178 VanDerWaalsContact C-N 3.32Å; W176-A178 PolarHBondContact O-N 2.83Å; W176-R179 PolarHBondContact O-N 2.6Å; W176-K180 HydrophobicContact CD2-CG 4.02Å; W176-K180 HydrophobicContact CE3-CG 3.97Å; W176-K180 HydrophobicContact CH2-CD 4.39Å; W176-K180 HydrophobicContact CH2-CG 3.78Å; W176-K180 HydrophobicContact CZ2-CD 4.17Å; W176-K180 HydrophobicContact CZ2-CG 3.81Å; W176-K180 HydrophobicContact CZ3-CG 3.86Å; W176-K180 WeakPolarHBondContact O-CG 3.24Å; W176-K180 PolarHBondContact O-N 2.98Å
177L98.3Very high95.3Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-60.1-42.5174.7-73175.6000111.4L26 Y74 C98 I100 P129 V131 P173 F174 R179 K180 L181L26-L177 HydrophobicContact CD1-CD1 3.59Å; L26-L177 HydrophobicContact CG-CD1 4.46Å; Y74-L177 HydrophobicContact CE1-CB 4.47Å; C98-L177 HydrophobicContact CB-CD1 4.18Å; C98-L177 HydrophobicContact CB-CD2 3.75Å; C98-L177 HydrophobicContact CB-CG 4.42Å; I100-L177 HydrophobicContact CD1-CD1 4.34Å; I100-L177 HydrophobicContact CG1-CD1 3.98Å; P129-L177 HydrophobicContact CB-CD2 3.86Å; P129-L177 HydrophobicContact CG-CD2 4.22Å; P129-L177 WeakPolarHBondContact O-CD2 3.46Å; V131-L177 HydrophobicContact CG2-CD1 4.27Å; V131-L177 HydrophobicContact CG2-CD2 3.83Å; V131-L177 HydrophobicContact CG2-CG 3.73Å; P173-L177 WeakPolarHBondContact O-CB 3.43Å; P173-L177 VanDerWaalsContact O-CG 3.26Å; P173-L177 WeakPolarHBondContact O-CG 3.44Å; P173-L177 PolarHBondContact O-N 3.47Å; F174-L177 PolarHBondContact O-N 3.11Å; L177-R179 PolarHBondContact O-N 3.37Å; L177-K180 PolarHBondContact O-N 3.02Å; L177-L181 HydrophobicContact CB-CD1 4.44Å; L177-L181 WeakPolarHBondContact O-CB 3.12Å; L177-L181 WeakPolarHBondContact O-CD1 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.44Å
178A96.9Very high95.5Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-61.6-46.5179.600000110.8I72 Y74 F174 L175 W176 K180 L181 I182 L187I72-A178 HydrophobicContact CD1-CB 4.04Å; Y74-A178 WeakPolarHBondContact OH-CA 3.37Å; Y74-A178 WeakPolarHBondContact OH-CB 3.38Å; Y74-A178 PolarHBondContact OH-N 2.86Å; F174-A178 VanDerWaalsContact O-CB 3.32Å; F174-A178 WeakPolarHBondContact O-CB 3.48Å; F174-A178 PolarHBondContact O-N 2.78Å; L175-A178 PolarHBondContact O-N 3.42Å; W176-A178 VanDerWaalsContact C-N 3.32Å; W176-A178 PolarHBondContact O-N 2.83Å; A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.18Å; A178-L181 PolarHBondContact O-N 3.02Å; A178-I182 VanDerWaalsContact O-CB 3.28Å; A178-I182 WeakPolarHBondContact O-CB 3.18Å; A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.66Å; A178-L187 HydrophobicContact CB-CD1 4.29Å; A178-L187 HydrophobicContact CB-CD2 3.76Å
179R97.5Very high95.5Very high77 Ų7745.7 Ų45.729%0.29124%0.238SC..Hα-helixtrans-57.4-42.7175.9-70.9170.6174.9176.6-5.4112.1L175 W176 L177 G183 D184 P185 L187L175-R179 WeakPolarHBondContact O-CG 3.28Å; L175-R179 PolarHBondContact O-N 3.36Å; W176-R179 PolarHBondContact O-N 2.6Å; L177-R179 PolarHBondContact O-N 3.37Å; R179-G183 WeakPolarHBondContact O-CA 3.04Å; R179-G183 PolarHBondContact O-N 3.09Å; R179-D184 WeakPolarHBondContact CA-O 3.04Å; R179-D184 WeakPolarHBondContact CB-O 3.42Å; R179-D184 WeakPolarHBondContact CG-O 3.22Å; R179-D184 PolarHBondContact O-N 3.33Å; R179-P185 PolarHBondContact NE-O 3.06Å; R179-L187 HydrophobicContact CG-CB 3.98Å; R179-L187 PolarHBondContact NE-O 3.3Å; R179-L187 PolarHBondContact NH2-O 2.87Å
180K97.4Very high95.4Very high126 Ų12649 Ų4955%0.54826%0.259SS..Hα-helixtrans-70.4-42.3179-71.7-64.5-174.6-179.80113.3P129 W176 L177 A178P129-K180 HydrophobicContact CB-CB 3.95Å; P129-K180 HydrophobicContact CB-CG 4.45Å; P129-K180 HydrophobicContact CG-CB 4.36Å; W176-K180 HydrophobicContact CD2-CG 4.02Å; W176-K180 HydrophobicContact CE3-CG 3.97Å; W176-K180 HydrophobicContact CH2-CD 4.39Å; W176-K180 HydrophobicContact CH2-CG 3.78Å; W176-K180 HydrophobicContact CZ2-CD 4.17Å; W176-K180 HydrophobicContact CZ2-CG 3.81Å; W176-K180 HydrophobicContact CZ3-CG 3.86Å; W176-K180 WeakPolarHBondContact O-CG 3.24Å; W176-K180 PolarHBondContact O-N 2.98Å; L177-K180 PolarHBondContact O-N 3.02Å; A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.18Å
181L95.6Very high94.9Very high31 Ų3151.2 Ų51.216%0.16228%0.278CS..Hα-helixtrans-71.7-38.6-178.2-71.2166000112.5F24 Y74 Q97 C98 P129 L177 A178F24-L181 HydrophobicContact CB-CD1 4.15Å; F24-L181 HydrophobicContact CD1-CB 4.29Å; F24-L181 HydrophobicContact CD1-CD1 3.81Å; F24-L181 HydrophobicContact CD1-CD2 4.03Å; F24-L181 HydrophobicContact CD1-CG 4.27Å; F24-L181 HydrophobicContact CD2-CD1 4.06Å; F24-L181 HydrophobicContact CE1-CB 3.82Å; F24-L181 HydrophobicContact CE1-CD1 4.19Å; F24-L181 HydrophobicContact CE1-CD2 4.16Å; F24-L181 HydrophobicContact CE1-CG 4.29Å; F24-L181 HydrophobicContact CE2-CB 4.36Å; F24-L181 HydrophobicContact CE2-CD1 4.42Å; F24-L181 HydrophobicContact CG-CD1 3.73Å; F24-L181 HydrophobicContact CZ-CB 3.87Å; F24-L181 HydrophobicContact CZ-CD1 4.49Å; Y74-L181 HydrophobicContact CE1-CD1 3.81Å; Q97-L181 HydrophobicContact CB-CD2 4.34Å; Q97-L181 WeakPolarHBondContact O-CD2 2.91Å; C98-L181 HydrophobicContact CB-CD1 4.03Å; C98-L181 HydrophobicContact CB-CD2 4.43Å; P129-L181 HydrophobicContact CG-CD2 3.79Å; P129-L181 HydrophobicContact CG-CG 4.06Å; L177-L181 HydrophobicContact CB-CD1 4.44Å; L177-L181 WeakPolarHBondContact O-CB 3.12Å; L177-L181 WeakPolarHBondContact O-CD1 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.44Å; A178-L181 PolarHBondContact O-N 3.02Å
182I94.2Very high93.6Very high59 Ų5954.6 Ų54.630%0.30330%0.295SS..Hα-helixtrans-82-25.1178.2-59.5-61.3000111.5A22 F24 I72 A178 D184 L187A22-I182 HydrophobicContact CB-CD1 4.44Å; F24-I182 HydrophobicContact CE2-CD1 4.08Å; F24-I182 HydrophobicContact CZ-CD1 3.82Å; I72-I182 HydrophobicContact CD1-CD1 4.08Å; I72-I182 HydrophobicContact CD1-CG1 3.8Å; A178-I182 VanDerWaalsContact O-CB 3.28Å; A178-I182 WeakPolarHBondContact O-CB 3.18Å; A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.66Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 HydrophobicContact CG2-CB 4.15Å; I182-L187 HydrophobicContact CB-CD1 4.06Å; I182-L187 HydrophobicContact CG1-CD1 3.84Å; I182-L187 HydrophobicContact CG2-CD1 4.18Å
183G95Very high92.2Very high62 Ų6252.9 Ų52.964%0.63929%0.291SS*.THydrogen-bonded Turntrans76.919.7-17500000113.7R179R179-G183 WeakPolarHBondContact O-CA 3.04Å; R179-G183 PolarHBondContact O-N 3.09Å
184D95.1Very high90.6Very high27 Ų2757.9 Ų57.914%0.14433%0.332CS..  trans-116107.5176.7-174.6-3.6000110.5R69 R179 I182 N186 L187R69-D184 IonicContact CZ-OD2 2.75Å; R69-D184 VanDerWaalsContact CZ-OD2 3.22Å; R69-D184 IonicContact NE-OD2 3.73Å; R69-D184 PolarHBondContact NE-OD2 3.07Å; R69-D184 IonicContact NH2-OD2 3.02Å; R69-D184 PolarHBondContact NH2-OD2 2.97Å; R179-D184 WeakPolarHBondContact CA-O 3.04Å; R179-D184 WeakPolarHBondContact CB-O 3.42Å; R179-D184 WeakPolarHBondContact CG-O 3.22Å; R179-D184 PolarHBondContact O-N 3.33Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 HydrophobicContact CG2-CB 4.15Å; D184-N186 PolarHBondContact O-N 2.94Å; D184-N186 WeakPolarHBondContact OD1-CA 3.43Å; D184-N186 WeakPolarHBondContact OD1-CB 3.14Å; D184-N186 PolarHBondContact OD1-N 2.85Å; D184-L187 HydrophobicContact CB-CB 4.34Å; D184-L187 WeakPolarHBondContact O-CB 3.2Å; D184-L187 PolarHBondContact O-N 3.34Å
185P94.6Very high89.2Confident93 Ų9360 Ų6060%0.60434%0.343SS*.THydrogen-bonded Turntrans-68-19.8177.428.5-34.3000113.5R179 L187R179-P185 PolarHBondContact NE-O 3.06Å; P185-L187 VanDerWaalsContact C-N 3.31Å
186N95.6Very high88Confident109 Ų10960.3 Ų60.358%0.58335%0.35SS*.THydrogen-bonded Turntrans-91.98.6179.7-55.1-50.8000112.6N68 D184 E188N68-N186 PolarHBondContact ND2-O 3.06Å; D184-N186 PolarHBondContact O-N 2.94Å; D184-N186 WeakPolarHBondContact OD1-CA 3.43Å; D184-N186 WeakPolarHBondContact OD1-CB 3.14Å; D184-N186 PolarHBondContact OD1-N 2.85Å; N186-E188 PolarHBondContact O-N 2.86Å
187L95.7Very high86.8Confident0 Ų063.8 Ų63.80%038%0.378CS..  trans-65131.6172.7-174.5154.3000109.5T67 N68 R69 I72 L175 A178 R179 I182 D184 P185 F189T67-L187 HydrophobicContact CG2-CD1 4.45Å; T67-L187 HydrophobicContact CG2-CD2 3.91Å; T67-L187 HydrophobicContact CG2-CG 4.34Å; N68-L187 WeakPolarHBondContact OD1-CA 3.3Å; R69-L187 HydrophobicContact CG-CD1 4.42Å; I72-L187 HydrophobicContact CD1-CD1 3.91Å; L175-L187 HydrophobicContact CD1-CD2 3.72Å; A178-L187 HydrophobicContact CB-CD1 4.29Å; A178-L187 HydrophobicContact CB-CD2 3.76Å; R179-L187 HydrophobicContact CG-CB 3.98Å; R179-L187 PolarHBondContact NE-O 3.3Å; R179-L187 PolarHBondContact NH2-O 2.87Å; I182-L187 HydrophobicContact CB-CD1 4.06Å; I182-L187 HydrophobicContact CG1-CD1 3.84Å; I182-L187 HydrophobicContact CG2-CD1 4.18Å; D184-L187 HydrophobicContact CB-CB 4.34Å; D184-L187 WeakPolarHBondContact O-CB 3.2Å; D184-L187 PolarHBondContact O-N 3.34Å; P185-L187 VanDerWaalsContact C-N 3.31Å; L187-F189 HydrophobicContact CD2-CE1 4.44Å
188E94.7Very high85.9Confident113 Ų11366.2 Ų66.253%0.52839%0.393SS..  trans-135.1150.4-179.6-68.2-175.416700110.6T67 N68 N186T67-E188 CarbonylContact C-O 3.58Å; T67-E188 WeakPolarHBondContact CA-O 3.15Å; T67-E188 WeakPolarHBondContact CB-O 3.43Å; N68-E188 PolarHBondContact N-O 3.33Å; N68-E188 PolarHBondContact OD1-N 3.43Å; N68-E188 PolarHBondContact OD1-O 3.49Å; N186-E188 PolarHBondContact O-N 2.86Å
189F93.2Very high84.9Confident32 Ų3270 Ų7014%0.1441%0.411CS..EExtended strand (participates in β ladder)trans-79.2126169.9-64.4-23.3000109.7F65 H66 T67 E171 F174 L175 L187F65-F189 HydrophobicContact CB-CD1 4.21Å; F65-F189 HydrophobicContact CB-CE1 3.75Å; F65-F189 HydrophobicContact CB-CZ 4.03Å; F65-F189 HydrophobicContact CD1-CD2 4.12Å; F65-F189 HydrophobicContact CD1-CE1 4.1Å; F65-F189 AromaticContact CD1-CE2 3.56Å; F65-F189 HydrophobicContact CD1-CE2 3.56Å; F65-F189 AromaticContact CD1-CZ 3.54Å; F65-F189 HydrophobicContact CD1-CZ 3.54Å; F65-F189 AromaticContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CZ 4.19Å; F65-F189 HydrophobicContact CG-CE1 4.13Å; F65-F189 HydrophobicContact CG-CE2 4.35Å; F65-F189 AromaticContact CG-CZ 3.87Å; F65-F189 HydrophobicContact CG-CZ 3.87Å; H66-F189 WeakPolarHBondContact O-CA 3.12Å; T67-F189 HydrophobicContact CG2-CD1 3.93Å; T67-F189 HydrophobicContact CG2-CE1 4.06Å; E171-F189 HydrophobicContact CB-CD2 4.17Å; E171-F189 HydrophobicContact CB-CE2 4.03Å; E171-F189 HydrophobicContact CG-CD2 4.5Å; F174-F189 HydrophobicContact CB-CE2 4.28Å; F174-F189 HydrophobicContact CB-CZ 4.01Å; L175-F189 HydrophobicContact CB-CD2 4.36Å; L175-F189 HydrophobicContact CB-CE2 3.8Å; L175-F189 HydrophobicContact CB-CZ 3.93Å; L175-F189 HydrophobicContact CD1-CD1 3.96Å; L175-F189 HydrophobicContact CD1-CD2 4.38Å; L175-F189 HydrophobicContact CD1-CE1 3.95Å; L175-F189 HydrophobicContact CD1-CE2 4.36Å; L175-F189 HydrophobicContact CD1-CG 4.2Å; L175-F189 HydrophobicContact CD1-CZ 4.16Å; L187-F189 HydrophobicContact CD2-CE1 4.44Å
190V90.6Very high84.2Confident97 Ų9768.7 Ų68.759%0.58841%0.412SS*.EExtended strand (participates in β ladder)trans-95.3-13-177.2-65.50000112.8H66 N68H66-V190 HydrophobicContact CB-CG2 3.98Å; H66-V190 WeakPolarHBondContact O-CG2 3.36Å; H66-V190 PolarHBondContact O-N 3.26Å; N68-V190 HydrophobicContact CB-CG1 3.84Å
191A78.8Confident83.7Confident50 Ų5070.8 Ų70.841%0.41342%0.423SS..EExtended strand (participates in β ladder)trans-140.1129.7171.300000108.4H66H66-A191 HydrophobicContact CB-CB 4.43Å
192M66.1Low83.3Confident132 Ų13270.5 Ų70.565%0.6542%0.422SS*.  trans-67.3137.1167.7-63.5-169.383.500108.2A194M192-A194 PolarHBondContact O-N 2.94Å
193P65.3Low83.1Confident32 Ų3271 Ų7121%0.20843%0.425CS..  trans-51.2140.7164.4-21.632000108.9F65 L195F65-P193 HydrophobicContact CD1-CG 4.21Å; F65-P193 HydrophobicContact CE1-CG 4.06Å; P193-L195 HydrophobicContact CB-CD2 4.38Å; P193-L195 HydrophobicContact CB-CG 4.48Å; P193-L195 PolarHBondContact O-N 3.41Å
194A65.8Low82.8Confident104 Ų10473.1 Ų73.186%0.8643%0.427SS*.  trans-67.582176.600000109.6M192M192-A194 PolarHBondContact O-N 2.94Å
195L67.8Low82.7Confident46 Ų4675.6 Ų75.624%0.24145%0.447CS..PPolyproline II helixtrans-79.6138.3177.4-61.6175.7000109R42 N167 F170 P193R42-L195 VanDerWaalsContact O-CD2 3.22Å; R42-L195 WeakPolarHBondContact O-CD2 3.24Å; N167-L195 HydrophobicContact CB-CD1 4.32Å; F170-L195 HydrophobicContact CD1-CD1 3.71Å; F170-L195 HydrophobicContact CD1-CD2 4.05Å; F170-L195 HydrophobicContact CE1-CD1 4.17Å; F170-L195 HydrophobicContact CE1-CD2 3.67Å; P193-L195 HydrophobicContact CB-CD2 4.38Å; P193-L195 HydrophobicContact CB-CG 4.48Å; P193-L195 PolarHBondContact O-N 3.41Å
196A70.8Confident82.4Confident34 Ų3472.6 Ų72.628%0.28143%0.425SS..PPolyproline II helixtrans-63.7155.6169.900000109.8G46 N167G46-A196 WeakPolarHBondContact O-CB 3.37Å; N167-A196 PolarHBondContact ND2-O 3.27Å
197P74.4Confident82.1Confident115 Ų11568 Ų6875%0.74740%0.402SS*.PPolyproline II helixtrans-53143.7176.2-24.333.3000111.1E199P197-E199 PolarHBondContact O-N 2.82Å
198P79.5Confident81.9Confident51 Ų5170.7 Ų70.733%0.33143%0.425SS..PPolyproline II helixtrans-67.3137-177.928.2-34.5000111.9R42 S166 V200R42-P198 VanDerWaalsContact NH2-CA 3.34Å; S166-P198 WeakPolarHBondContact O-CB 3.31Å; P198-V200 PolarHBondContact O-N 2.85Å
199E76.1Confident81.8Confident79 Ų7970.5 Ų70.537%0.36942%0.422SS..SBendtrans-63.5-29.2174.1-70.7-155.9164.600112.9F48 K50 K165 P197F48-E199 HydrophobicContact CB-CG 3.77Å; F48-E199 HydrophobicContact CD1-CG 4.17Å; F48-E199 WeakPolarHBondContact CD1-OE1 3.44Å; F48-E199 WeakPolarHBondContact CD1-OE2 3.32Å; F48-E199 HydrophobicContact CG-CG 4.12Å; K50-E199 VanDerWaalsContact CE-CD 3.41Å; K50-E199 WeakPolarHBondContact CE-OE1 3.35Å; K50-E199 VanDerWaalsContact CE-OE2 3.24Å; K50-E199 WeakPolarHBondContact CE-OE2 3.4Å; K50-E199 IonicContact NZ-OE1 3.51Å; K165-E199 HydrophobicContact CG-CB 4.22Å; K165-E199 PolarHBondContact O-N 2.85Å; P197-E199 PolarHBondContact O-N 2.82Å
200V83.1Confident81.7Confident50 Ų5069.5 Ų69.530%0.30342%0.418SS..SBendtrans-135.8132.5176.9172.50000107.7K165 S166 P198K165-V200 HydrophobicContact CD-CB 4.2Å; K165-V200 HydrophobicContact CD-CG2 3.78Å; K165-V200 VanDerWaalsContact CE-CG2 3.42Å; K165-V200 HydrophobicContact CG-CB 4.31Å; K165-V200 HydrophobicContact CG-CG2 4.27Å; S166-V200 WeakPolarHBondContact CA-O 3.22Å; S166-V200 WeakPolarHBondContact CB-O 3.22Å; P198-V200 PolarHBondContact O-N 2.85Å
201Q84.9Confident81.8Confident170 Ų17069.2 Ų69.279%0.79441%0.41SS*.PPolyproline II helixtrans-78131170.8-67.6-178.6-5.200109.4D203Q201-D203 PolarHBondContact O-N 2.83Å
202M87.8Confident82.5Confident26 Ų2672.8 Ų72.813%0.12842%0.418CS..PPolyproline II helixtrans-66.5126.9169.6-171.665-176.200108.3V137 D138 Y168 P204 L206 A207 Y210V137-M202 HydrophobicContact CB-CE 4.43Å; V137-M202 HydrophobicContact CG2-CE 3.92Å; V137-M202 HydrophobicContact CG2-SD 4.26Å; D138-M202 HydrophobicContact CB-SD 4.34Å; Y168-M202 HydrophobicContact CD2-CB 4.44Å; Y168-M202 HydrophobicContact CD2-CG 4.03Å; Y168-M202 HydrophobicContact CG-CG 4.1Å; M202-P204 VanDerWaalsContact O-CD 3.31Å; M202-P204 WeakPolarHBondContact O-CD 3.35Å; M202-L206 HydrophobicContact CE-CB 4.31Å; M202-L206 HydrophobicContact CE-CD2 4Å; M202-L206 HydrophobicContact CE-CG 4Å; M202-A207 HydrophobicContact CE-CB 4.35Å; M202-A207 HydrophobicContact CG-CB 4.04Å; M202-Y210 HydrophobicContact CE-CD2 3.93Å; M202-Y210 HydrophobicContact CE-CE2 4.01Å
203D90.2Very high83.7Confident68 Ų6869.4 Ų69.436%0.36440%0.401SS..PPolyproline II helixtrans-62.4118.8175179-19.3000109.1Q201 S205 L206 A207Q201-D203 PolarHBondContact O-N 2.83Å; D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 2.74Å; D203-S205 WeakPolarHBondContact OD1-CB 3.39Å; D203-S205 PolarHBondContact OD1-N 2.78Å; D203-S205 PolarHBondContact OD1-OG 2.88Å; D203-S205 PolarHBondContact OD2-OG 2.82Å; D203-L206 HydrophobicContact CB-CB 3.84Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.1Å; D203-A207 PolarHBondContact O-N 3.32Å
204P89.6Confident84.9Confident107 Ų10769.8 Ų69.870%0.69540%0.401SS*.Hα-helixtrans-58.5-34.9-177.2-25.635000113.3M202 L206 A207 A208M202-P204 VanDerWaalsContact O-CD 3.31Å; M202-P204 WeakPolarHBondContact O-CD 3.35Å; P204-L206 VanDerWaalsContact C-N 3.34Å; P204-A207 PolarHBondContact O-N 2.85Å; P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 3.49Å
205S91.6Very high86.1Confident80 Ų8070.1 Ų70.156%0.55939%0.385SS*.Hα-helixtrans-68.4-37.5178.370.60000111.4D203 K209D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 2.74Å; D203-S205 WeakPolarHBondContact OD1-CB 3.39Å; D203-S205 PolarHBondContact OD1-N 2.78Å; D203-S205 PolarHBondContact OD1-OG 2.88Å; D203-S205 PolarHBondContact OD2-OG 2.82Å; S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.84Å
206L89.2Confident87.2Confident29 Ų2971.3 Ų71.315%0.15239%0.394CS..Hα-helixtrans-70.6-40.3176.3-172.662.2000111.6M202 D203 P204 K209 Y210M202-L206 HydrophobicContact CE-CB 4.31Å; M202-L206 HydrophobicContact CE-CD2 4Å; M202-L206 HydrophobicContact CE-CG 4Å; D203-L206 HydrophobicContact CB-CB 3.84Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.1Å; P204-L206 VanDerWaalsContact C-N 3.34Å; L206-K209 PolarHBondContact O-N 2.8Å; L206-Y210 HydrophobicContact CD1-CD2 4.45Å; L206-Y210 HydrophobicContact CD1-CE1 3.96Å; L206-Y210 HydrophobicContact CD1-CE2 3.84Å; L206-Y210 HydrophobicContact CD2-CE2 3.97Å; L206-Y210 HydrophobicContact CG-CD2 4.11Å; L206-Y210 HydrophobicContact CG-CE2 3.59Å; L206-Y210 PolarHBondContact O-N 3.37Å
207A89.7Confident88Confident12 Ų1270.4 Ų70.410%0.09939%0.386CS..Hα-helixtrans-60.5-49.8175.400000111.5Y168 M202 D203 P204 K209 Y210 E211Y168-A207 HydrophobicContact CD2-CB 4.41Å; Y168-A207 HydrophobicContact CE2-CB 3.67Å; M202-A207 HydrophobicContact CE-CB 4.35Å; M202-A207 HydrophobicContact CG-CB 4.04Å; D203-A207 PolarHBondContact O-N 3.32Å; P204-A207 PolarHBondContact O-N 2.85Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.41Å; A207-Y210 PolarHBondContact O-N 3.42Å; A207-E211 PolarHBondContact O-N 2.94Å
208A91.4Very high88.6Confident57 Ų5768 Ų6847%0.47137%0.372SS..Hα-helixtrans-59.6-43.7177.300000111.8P204 Y210 E211 E212P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 3.49Å; A208-Y210 PolarHBondContact O-N 3.24Å; A208-E211 PolarHBondContact O-N 3.16Å; A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.06Å
209K92.7Very high88.9Confident109 Ų10973.3 Ų73.347%0.47439%0.392SS..Hα-helixtrans-59.3-45.8175.8179.9-179.7176.3178.70112.4S205 L206 A207 E211 E212 E213S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.84Å; L206-K209 PolarHBondContact O-N 2.8Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.41Å; K209-E211 VanDerWaalsContact C-N 3.34Å; K209-E212 PolarHBondContact O-N 2.83Å; K209-E213 WeakPolarHBondContact CE-OE1 3.47Å; K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CB 3.21Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.98Å
210Y91.5Very high89.4Confident12 Ų1273 Ų735%0.04740%0.396CS..Hα-helixtrans-67.4-35.3179-70.7-27.9000112.6V137 R142 M202 L206 A207 A208 E213 L214V137-Y210 HydrophobicContact CB-CD2 4.25Å; V137-Y210 HydrophobicContact CB-CE2 4.07Å; V137-Y210 WeakPolarHBondContact O-CE2 3.19Å; R142-Y210 VanDerWaalsContact NH1-CD1 3.25Å; R142-Y210 VanDerWaalsContact NH1-CG 3.3Å; M202-Y210 HydrophobicContact CE-CD2 3.93Å; M202-Y210 HydrophobicContact CE-CE2 4.01Å; L206-Y210 HydrophobicContact CD1-CD2 4.45Å; L206-Y210 HydrophobicContact CD1-CE1 3.96Å; L206-Y210 HydrophobicContact CD1-CE2 3.84Å; L206-Y210 HydrophobicContact CD2-CE2 3.97Å; L206-Y210 HydrophobicContact CG-CD2 4.11Å; L206-Y210 HydrophobicContact CG-CE2 3.59Å; L206-Y210 PolarHBondContact O-N 3.37Å; A207-Y210 PolarHBondContact O-N 3.42Å; A208-Y210 PolarHBondContact O-N 3.24Å; Y210-E213 PolarHBondContact O-N 2.84Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 2.88Å; Y210-L214 PolarHBondContact O-N 3.02Å
211E91.3Very high89.5Confident90 Ų9074.6 Ų74.642%0.42142%0.415SS..Hα-helixtrans-64.8-44.4173.9-173.6161.1-153.500111.7A207 A208 K209 L214 Q215A207-E211 PolarHBondContact O-N 2.94Å; A208-E211 PolarHBondContact O-N 3.16Å; K209-E211 VanDerWaalsContact C-N 3.34Å; E211-L214 PolarHBondContact O-N 3.34Å; E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.26Å
212E93Very high89.2Confident126 Ų12669.6 Ų69.659%0.58939%0.393SS*.Hα-helixtrans-60.6-47.4173.6-174.6-177.6-172.400111.6A208 K209 L214 Q215 V216A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.06Å; K209-E212 PolarHBondContact O-N 2.83Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.16Å; E212-V216 WeakPolarHBondContact O-CG2 3.2Å; E212-V216 PolarHBondContact O-N 2.96Å
213E91.7Very high88.6Confident61 Ų6171.5 Ų71.529%0.28541%0.407SS..Hα-helixtrans-59.2-36.9177.5-76.7-178.3-177.600112.4A146 K209 Y210 A217A146-E213 HydrophobicContact CB-CB 3.87Å; K209-E213 WeakPolarHBondContact CE-OE1 3.47Å; K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CB 3.21Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.98Å; Y210-E213 PolarHBondContact O-N 2.84Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.21Å
214L90.3Very high87.6Confident40 Ų4074.7 Ų74.721%0.20942%0.424CS..Hα-helixtrans-70.7-41.4175.3-75.9169.8000112.4A146 Y159 D161 Y210 E211 E212 A217 S218A146-L214 HydrophobicContact CB-CD2 3.77Å; A146-L214 HydrophobicContact CB-CG 4.1Å; Y159-L214 HydrophobicContact CD1-CD1 4.33Å; Y159-L214 HydrophobicContact CD1-CD2 3.7Å; Y159-L214 HydrophobicContact CE1-CD1 3.95Å; Y159-L214 HydrophobicContact CE1-CD2 3.47Å; Y159-L214 VanDerWaalsContact CE1-CD2 3.47Å; Y159-L214 HydrophobicContact CE1-CG 4.37Å; D161-L214 HydrophobicContact CB-CD1 4.21Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 2.88Å; Y210-L214 PolarHBondContact O-N 3.02Å; E211-L214 PolarHBondContact O-N 3.34Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; L214-A217 PolarHBondContact O-N 2.92Å; L214-S218 WeakPolarHBondContact O-CB 3.35Å; L214-S218 PolarHBondContact O-N 3.24Å
215Q90.7Very high86.1Confident111 Ų11177.1 Ų77.152%0.51943%0.426SS..Hα-helixtrans-60.8-47.7175.3-73.5-179.410.100110.9E211 E212 A217 S218 Q219E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.26Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.16Å; Q215-A217 PolarHBondContact O-N 3.16Å; Q215-S218 PolarHBondContact O-N 2.72Å; Q215-S218 PolarHBondContact O-OG 3.22Å; Q215-Q219 PolarHBondContact O-N 2.86Å
216V91.8Very high84.1Confident71 Ų7181.4 Ų81.443%0.4344%0.438SS..Hα-helixtrans-59.7-47.7176.2173.40000110.9E212 S218 Q219 T220E212-V216 WeakPolarHBondContact O-CG2 3.2Å; E212-V216 PolarHBondContact O-N 2.96Å; V216-S218 VanDerWaalsContact C-N 3.26Å; V216-S218 PolarHBondContact O-N 3.43Å; V216-Q219 PolarHBondContact O-N 3.11Å; V216-Q219 VanDerWaalsContact O-N 3.12Å; V216-T220 PolarHBondContact O-N 3.2Å; V216-T220 PolarHBondContact O-OG1 2.73Å; V216-T220 VanDerWaalsContact O-OG1 3.11Å
217A88.4Confident82.2Confident15 Ų1586.6 Ų86.612%0.12447%0.466CS..Hα-helixtrans-64.2-28.8179.800000113.4A146 R153 E213 L214 Q215 Q219A146-A217 HydrophobicContact CB-CB 4.23Å; R153-A217 PolarHBondContact NH1-O 3.24Å; R153-A217 VanDerWaalsContact NH1-O 3.1Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.21Å; L214-A217 PolarHBondContact O-N 2.92Å; Q215-A217 PolarHBondContact O-N 3.16Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 2.9Å
218S85.9Confident80.3Confident65 Ų6591.8 Ų91.846%0.45549%0.492SS..Hα-helixtrans-69.1-27.8175.977.10000112.9L214 Q215 V216L214-S218 WeakPolarHBondContact O-CB 3.35Å; L214-S218 PolarHBondContact O-N 3.24Å; Q215-S218 PolarHBondContact O-N 2.72Å; Q215-S218 PolarHBondContact O-OG 3.22Å; V216-S218 VanDerWaalsContact C-N 3.26Å; V216-S218 PolarHBondContact O-N 3.43Å
219Q86.5Confident77.5Confident161 Ų16199.8 Ų99.875%0.75253%0.525SS*.Hα-helixtrans-90.4-19.6179.7-63.9175.55.400113Q215 V216 A217Q215-Q219 PolarHBondContact O-N 2.86Å; V216-Q219 PolarHBondContact O-N 3.11Å; V216-Q219 VanDerWaalsContact O-N 3.12Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 2.9Å
220T86.4Confident76.7Confident74 Ų7499.3 Ų99.345%0.45453%0.528SS..SBendtrans-68.3143.6174.7-48.40000111R153 V216R153-T220 PolarHBondContact NH1-O 2.78Å; R153-T220 PolarHBondContact NH2-O 2.86Å; V216-T220 PolarHBondContact O-N 3.2Å; V216-T220 PolarHBondContact O-OG1 2.73Å; V216-T220 VanDerWaalsContact O-OG1 3.11Å
221A84.2Confident76Confident83 Ų83103.9 Ų103.969%0.68655%0.553SS**PPolyproline II helixtrans-57.8150.5169.900000111.1
222L80.4Confident75.1Confident64 Ų64104.7 Ų104.734%0.33556%0.56SS.*PPolyproline II helixtrans-70.3140171.1-69.3172.5000108.7V150 R153 K154V150-L222 HydrophobicContact CB-CD2 3.87Å; V150-L222 HydrophobicContact CG1-CD2 4.09Å; R153-L222 HydrophobicContact CB-CD1 4.15Å; R153-L222 HydrophobicContact CB-CD2 3.87Å; R153-L222 HydrophobicContact CG-CD2 4.47Å; K154-L222 HydrophobicContact CG-CD1 4.37Å
223P74Confident74.1Confident66 Ų66103.4 Ų103.443%0.42956%0.559SS.*PPolyproline II helixtrans-61.1146.6168.525.6-30.9000109.9
224D69.3Low73Confident135 Ų135106.1 Ų106.172%0.72258%0.576SS**PPolyproline II helixtrans-59.9146.9-179.9-66.6-41.5000110.8E226 D227D224-E226 PolarHBondContact O-N 2.83Å; D224-D227 PolarHBondContact O-N 2.97Å
225E57.9Low71.8Confident158 Ų158110.5 Ų110.574%0.73860%0.6SS**G310 helixtrans-64-13.4-173-67-165.1149.500114.2D227E225-D227 VanDerWaalsContact C-N 3.28Å; E225-D227 PolarHBondContact O-N 2.9Å
226E49.6Very low70.4Confident171 Ų171110.4 Ų110.480%0.79961%0.606SS**G310 helixtrans-71.3-17-178.7-65.7-171.8165.700114D224 D228D224-E226 PolarHBondContact O-N 2.83Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.98Å
227D50.4Low68.8Low138 Ų138113.5 Ų113.574%0.73862%0.619SS**G310 helixtrans-81.8-5.5-179.2-88.9-19.1000114.4D224 E225D224-D227 PolarHBondContact O-N 2.97Å; E225-D227 VanDerWaalsContact C-N 3.28Å; E225-D227 PolarHBondContact O-N 2.9Å
228D48Very low67.2Low121 Ų121121.7 Ų121.765%0.64766%0.661SS**G310 helixtrans-100.511.6-177.2-81.2-34.5000113.8K154 E226K154-D228 IonicContact NZ-OD2 2.72Å; K154-D228 PolarHBondContact NZ-OD2 3.07Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.98Å
229L33.6Very low65.5Low224 Ų224126.8 Ų126.8100%1.17368%0.679SS**  trans-88.60174-81.2167.1000113.4

Retrieved 229 of 229 residues in 346.1 ms (Link to these results)