A0A096N1X7_PAPAN Loading...

THAP domain containing 3

AlphaFold DB (A0A2K5MTC2), UniProt , Accession A0A096N1X7, Species PAPAN (Papio anubis, Olive baboon), Gene THAP3, Length 239 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.2Low82Confident231 Ų23184.1 Ų84.1100%1.13845%0.449SS*.  0129.70-91.2147.981.900110.9K3M1-K3 PolarHBondContact O-N 3.47Å
2P59.9Low82.7Confident67 Ų6778.7 Ų78.744%0.43542%0.42SS..PPolyproline II helixtrans-67.5131.3176.4-14.328.5000110.1R13P2-R13 HydrophobicContact CB-CG 4.14Å
3K80.7Confident83.2Confident89 Ų8983.9 Ų83.939%0.38743%0.43SS..PPolyproline II helixtrans-76.1127.3180-59.4172.6-175160.30109.2M1 Y14 V53M1-K3 PolarHBondContact O-N 3.47Å; K3-Y14 PolarHBondContact O-N 3.13Å; K3-V53 HydrophobicContact CB-CG2 3.81Å; K3-V53 HydrophobicContact CD-CG1 4.28Å
4S90.1Very high83.2Confident74 Ų7489.3 Ų89.352%0.51744%0.444SS..BIsolated β-bridgetrans-103.6149.9171.151.20000110.4V53S4-V53 WeakPolarHBondContact O-CG2 3.44Å
5C92.3Very high83Confident10 Ų1086.7 Ų86.77%0.06844%0.438CS..BIsolated β-bridgetrans-64.4139.2173.9-168.80000110.4A7 C10 N12 V53 C55C5-A7 VanDerWaalsContact SG-CB 3.55Å; C5-C10 HydrophobicContact CB-CB 4.13Å; C5-C10 VanDerWaalsContact CB-SG 3.58Å; C5-C10 VanDerWaalsContact SG-SG 3.63Å; C5-N12 HydrophobicContact CB-CB 4.19Å; C5-N12 PolarHBondContact N-O 3.29Å; C5-V53 CarbonylContact C-O 3.42Å; C5-C55 HydrophobicContact CB-CB 4.34Å; C5-C55 PolarHBondContact SG-N 2.78Å
6A91.4Very high82.2Confident12 Ų1287.6 Ų87.610%0.09946%0.455CS..  trans-90.3-10.1178.300000114R43 F46 T52 V53 I54A6-R43 PolarHBondContact O-NH2 3.36Å; A6-F46 HydrophobicContact CB-CE2 4.38Å; A6-F46 HydrophobicContact CB-CZ 3.79Å; A6-T52 HydrophobicContact CB-CG2 3.41Å; A6-T52 VanDerWaalsContact CB-CG2 3.41Å; A6-V53 WeakPolarHBondContact CB-O 3.39Å; A6-V53 PolarHBondContact N-O 3.41Å; A6-I54 HydrophobicContact CB-CD1 3.88Å
7A89.9Confident82Confident4 Ų495.8 Ų95.83%0.03348%0.479CS..SBendtrans-55.8145.2176.300000111.2C5 Q9 C10 I54 H58 F82C5-A7 VanDerWaalsContact SG-CB 3.55Å; A7-Q9 PolarHBondContact O-N 3.08Å; A7-C10 HydrophobicContact CB-CB 3.7Å; A7-C10 PolarHBondContact O-N 3.42Å; A7-I54 HydrophobicContact CB-CD1 4.13Å; A7-H58 WeakPolarHBondContact CB-NE2 3.39Å; A7-F82 HydrophobicContact CB-CD1 4.4Å; A7-F82 HydrophobicContact CB-CE1 3.69Å
8R84.3Confident81.8Confident116 Ų11698.6 Ų98.644%0.43848%0.482SS..THydrogen-bonded Turntrans-61.4139.1174.4-74-177.3126-142.9-0.7109.6C10 G42 R43 F84R8-C10 PolarHBondContact O-N 3.49Å; R8-C10 VanDerWaalsContact O-N 3.08Å; R8-G42 WeakPolarHBondContact CD-O 3.43Å; R8-G42 PolarHBondContact NE-O 3.41Å; R8-R43 HydrophobicContact CG-CB 4.31Å; R8-F84 HydrophobicContact CB-CD1 4.34Å; R8-F84 HydrophobicContact CB-CE1 3.93Å
9Q83.2Confident81.4Confident170 Ų170103.3 Ų103.379%0.79450%0.5SS*.THydrogen-bonded Turntrans57.821.3177-53.7175.217.200114.4A7A7-Q9 PolarHBondContact O-N 3.08Å
10C88.4Confident81.3Confident25 Ų25105.2 Ų105.217%0.16951%0.508CS..  trans-105.1112.3177.4-171.40000110.6C5 A7 R8 N12 C55 H58C5-C10 HydrophobicContact CB-CB 4.13Å; C5-C10 VanDerWaalsContact CB-SG 3.58Å; C5-C10 VanDerWaalsContact SG-SG 3.63Å; A7-C10 HydrophobicContact CB-CB 3.7Å; A7-C10 PolarHBondContact O-N 3.42Å; R8-C10 PolarHBondContact O-N 3.49Å; R8-C10 VanDerWaalsContact O-N 3.08Å; C10-N12 VanDerWaalsContact C-N 3.28Å; C10-N12 PolarHBondContact O-N 3.42Å; C10-C55 VanDerWaalsContact SG-SG 3.64Å; C10-H58 PolarHBondContact SG-NE2 3.01Å
11C87.1Confident81.6Confident127 Ų127101 Ų10186%0.85849%0.488SS*.  trans-90.510.1179.1-61.60000113.2R13C11-R13 PolarHBondContact O-N 3.04Å
12N89.9Confident83.3Confident19 Ų1991.9 Ų91.910%0.10245%0.446CS..  trans-66.1123.3-177.9-80.4-25.6000111.3C5 C10 L21 C55 E57C5-N12 HydrophobicContact CB-CB 4.19Å; C5-N12 PolarHBondContact N-O 3.29Å; C10-N12 VanDerWaalsContact C-N 3.28Å; C10-N12 PolarHBondContact O-N 3.42Å; N12-L21 HydrophobicContact CB-CD2 3.83Å; N12-C55 HydrophobicContact CB-CB 4.32Å; N12-C55 PolarHBondContact ND2-SG 3.06Å; N12-E57 PolarHBondContact ND2-OE2 2.95Å
13R89.1Confident84.8Confident147 Ų14790.6 Ų90.656%0.55543%0.433SS*.BIsolated β-bridgetrans-123.6150.1177.5-161177.2-168.4-1611.5109.9P2 C11 S15 F23P2-R13 HydrophobicContact CB-CG 4.14Å; C11-R13 PolarHBondContact O-N 3.04Å; R13-S15 PolarHBondContact O-N 3.19Å; R13-F23 VanDerWaalsContact C-CZ 3.45Å
14Y83.7Confident85.3Confident159 Ų15987.3 Ų87.362%0.62442%0.419SS*.  trans-55117.1172.6-169.3-88.5000109.9K3 F23K3-Y14 PolarHBondContact O-N 3.13Å; Y14-F23 AromaticContact CD2-CD2 3.93Å; Y14-F23 HydrophobicContact CD2-CD2 3.93Å; Y14-F23 HydrophobicContact CD2-CE2 4.07Å
15S80Confident85.4Confident50 Ų5089.9 Ų89.935%0.3542%0.418SS..  trans-144.2137.5-179.1-176.40000109.9R13 R17 R18R13-S15 PolarHBondContact O-N 3.19Å; S15-R17 PolarHBondContact O-N 3.27Å; S15-R17 PolarHBondContact OG-N 3.17Å; S15-R18 PolarHBondContact O-N 2.94Å
16S70.8Confident85.5Confident102 Ų10289.8 Ų89.871%0.71342%0.416SS*.THydrogen-bonded Turntrans-62.9-21.6173.7520000113
17R78.6Confident85.5Confident227 Ų22790 Ų9086%0.85742%0.416SS*.THydrogen-bonded Turntrans-71.8-28.5178.7-64.5-161.7-76.7179.5-5.2113.3S15S15-R17 PolarHBondContact O-N 3.27Å; S15-R17 PolarHBondContact OG-N 3.17Å
18R77.3Confident85.5Confident145 Ų14594.2 Ų94.255%0.54743%0.434SS..  trans-108.870.9179.2-66.5-157.3-175.4-170.54.1111.4S15 Q20 L21S15-R18 PolarHBondContact O-N 2.94Å; R18-Q20 PolarHBondContact O-N 3.18Å; R18-Q20 VanDerWaalsContact O-N 3.12Å; R18-L21 HydrophobicContact CB-CB 4.19Å; R18-L21 PolarHBondContact O-N 3.3Å
19K74.3Confident85.8Confident189 Ų18994 Ų9482%0.82245%0.45SS*.THydrogen-bonded Turntrans-59.1-23.8-179.2-64.2-177.6-178.1177.30114.1
20Q80.8Confident86.1Confident140 Ų14090.1 Ų90.165%0.65443%0.428SS*.THydrogen-bonded Turntrans-82.2-15-177.7-66.7-60.5-21.900114.4R18 K71R18-Q20 PolarHBondContact O-N 3.18Å; R18-Q20 VanDerWaalsContact O-N 3.12Å; Q20-K71 PolarHBondContact O-NZ 2.84Å; Q20-K71 VanDerWaalsContact O-NZ 3.09Å
21L87.8Confident86.2Confident19 Ų1992.6 Ų92.610%0.09944%0.444CS..  trans-88.7116.1-176.2-16974.3000110N12 R18 F23 C55 E57N12-L21 HydrophobicContact CB-CD2 3.83Å; R18-L21 HydrophobicContact CB-CB 4.19Å; R18-L21 PolarHBondContact O-N 3.3Å; L21-F23 HydrophobicContact CD2-CE2 3.92Å; L21-F23 HydrophobicContact CD2-CZ 3.63Å; L21-F23 HydrophobicContact CG-CE2 4.21Å; L21-F23 HydrophobicContact CG-CZ 4.28Å; L21-C55 HydrophobicContact CD1-CB 3.86Å; L21-C55 HydrophobicContact CD2-CB 4.29Å; L21-C55 HydrophobicContact CG-CB 4.11Å; L21-E57 HydrophobicContact CD1-CG 3.88Å
22T89.6Confident86.5Confident39 Ų3992.5 Ų92.524%0.23943%0.431CS..  trans-103.7152.3176.754.90000111.1H24 C55 S56 K71T22-H24 PolarHBondContact OG1-NE2 3.43Å; T22-C55 CarbonylContact O-C 3.58Å; T22-C55 VanDerWaalsContact O-CA 3.25Å; T22-C55 WeakPolarHBondContact O-CA 3.33Å; T22-S56 PolarHBondContact N-OG 3.44Å; T22-S56 PolarHBondContact O-N 2.82Å; T22-S56 WeakPolarHBondContact OG1-CB 3.25Å; T22-K71 HydrophobicContact CG2-CB 4.27Å; T22-K71 HydrophobicContact CG2-CD 4.44Å
23F90.9Very high86.6Confident39 Ų3992.4 Ų92.417%0.17143%0.43CS..EExtended strand (participates in β ladder)trans-118.3127.6-179.7-67.5-93.8000110R13 Y14 L21 V53 C55R13-F23 VanDerWaalsContact C-CZ 3.45Å; Y14-F23 AromaticContact CD2-CD2 3.93Å; Y14-F23 HydrophobicContact CD2-CD2 3.93Å; Y14-F23 HydrophobicContact CD2-CE2 4.07Å; L21-F23 HydrophobicContact CD2-CE2 3.92Å; L21-F23 HydrophobicContact CD2-CZ 3.63Å; L21-F23 HydrophobicContact CG-CE2 4.21Å; L21-F23 HydrophobicContact CG-CZ 4.28Å; F23-V53 HydrophobicContact CB-CB 4.25Å; F23-V53 HydrophobicContact CB-CG2 4.18Å; F23-V53 HydrophobicContact CD1-CG2 3.76Å; F23-V53 HydrophobicContact CG-CG2 4.37Å; F23-C55 HydrophobicContact CD1-CB 4.13Å; F23-C55 HydrophobicContact CE1-CB 3.95Å; F23-C55 HydrophobicContact CZ-CB 4.47Å
24H92.3Very high86.8Confident21 Ų2186.9 Ų86.910%0.09741%0.412CS..EExtended strand (participates in β ladder)trans-112.8135-174.4-57.8-71.3000110.4T22 W37 V53 I54 F59 F64 K71 L73T22-H24 PolarHBondContact OG1-NE2 3.43Å; H24-W37 HydrophobicContact CB-CH2 4.29Å; H24-V53 CarbonylContact O-C 3.53Å; H24-V53 VanDerWaalsContact O-CA 3.23Å; H24-V53 WeakPolarHBondContact O-CA 3.4Å; H24-V53 WeakPolarHBondContact O-CB 3.44Å; H24-I54 PolarHBondContact N-O 3.31Å; H24-I54 PolarHBondContact O-N 3.19Å; H24-F59 HydrophobicContact CB-CE2 4.46Å; H24-F64 AromaticContact NE2-CE1 3.77Å; H24-K71 PolarHBondContact CE1-O 2.94Å; H24-L73 HydrophobicContact CB-CD1 3.63Å; H24-L73 VanDerWaalsContact CG-CD1 3.47Å
25R92.8Very high87.1Confident127 Ų12784.7 Ų84.748%0.47941%0.406SS..EExtended strand (participates in β ladder)trans-82.6153.6175.8-67.5-176.1-175.5-113.313.2110.2Q50 V53R25-Q50 PolarHBondContact NH1-O 2.78Å; R25-V53 HydrophobicContact CG-CG1 4Å
26F92.8Very high87.7Confident8 Ų886.2 Ų86.24%0.03541%0.407CS..  trans-65.1142.7175-75.8-98.5000111.6F28 L34 W37 V38 I41 F46 P48 T52 I54F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 HydrophobicContact CB-CD2 4.34Å; F26-F28 HydrophobicContact CB-CE2 3.81Å; F26-F28 HydrophobicContact CB-CZ 3.97Å; F26-F28 VanDerWaalsContact O-CD2 3.29Å; F26-F28 WeakPolarHBondContact O-CD2 3.47Å; F26-F28 PolarHBondContact O-N 3.25Å; F26-L34 HydrophobicContact CB-CD1 3.75Å; F26-L34 HydrophobicContact CD1-CD1 3.62Å; F26-L34 HydrophobicContact CG-CD1 4.11Å; F26-W37 HydrophobicContact CD1-CB 4.18Å; F26-W37 AromaticContact CD1-CE3 3.79Å; F26-W37 HydrophobicContact CD1-CE3 3.79Å; F26-W37 HydrophobicContact CE1-CB 4.08Å; F26-W37 AromaticContact CE1-CE3 3.98Å; F26-W37 HydrophobicContact CE1-CE3 3.98Å; F26-W37 HydrophobicContact CG-CE3 4.24Å; F26-V38 HydrophobicContact CE1-CG2 4.5Å; F26-I41 HydrophobicContact CE1-CD1 3.6Å; F26-I41 HydrophobicContact CZ-CD1 3.44Å; F26-I41 VanDerWaalsContact CZ-CD1 3.44Å; F26-F46 HydrophobicContact CE1-CE1 4.21Å; F26-F46 AromaticContact CZ-CE1 3.85Å; F26-F46 HydrophobicContact CZ-CE1 3.85Å; F26-F46 HydrophobicContact CZ-CZ 4.24Å; F26-P48 HydrophobicContact CB-CB 4.3Å; F26-P48 HydrophobicContact CD1-CB 3.71Å; F26-P48 HydrophobicContact CD1-CG 3.77Å; F26-P48 HydrophobicContact CD2-CB 3.74Å; F26-P48 HydrophobicContact CE1-CB 3.85Å; F26-P48 HydrophobicContact CE1-CG 4.05Å; F26-P48 HydrophobicContact CE2-CB 3.94Å; F26-P48 HydrophobicContact CG-CB 3.63Å; F26-P48 HydrophobicContact CG-CG 4.07Å; F26-P48 HydrophobicContact CZ-CB 3.97Å; F26-T52 HydrophobicContact CD2-CG2 4.3Å; F26-T52 WeakPolarHBondContact CD2-O 3.35Å; F26-T52 HydrophobicContact CE2-CG2 3.7Å; F26-T52 HydrophobicContact CZ-CG2 4.42Å; F26-I54 HydrophobicContact CE2-CD1 4.39Å; F26-I54 HydrophobicContact CE2-CG1 3.85Å; F26-I54 HydrophobicContact CZ-CD1 4.03Å; F26-I54 HydrophobicContact CZ-CG1 3.68Å
27P91.3Very high88.8Confident16 Ų1681.7 Ų81.710%0.10437%0.374CS..  trans-80.171.6-177.533.4-36.1000111.6S29 R30 L33 L34 W37P27-S29 PolarHBondContact O-N 2.89Å; P27-S29 VanDerWaalsContact O-N 3.12Å; P27-R30 CarbonylContact O-C 3.59Å; P27-R30 PolarHBondContact O-N 3.48Å; P27-R30 VanDerWaalsContact O-O 3.14Å; P27-L33 HydrophobicContact CB-CD2 4.03Å; P27-L33 HydrophobicContact CG-CB 4.11Å; P27-L33 HydrophobicContact CG-CD2 3.73Å; P27-L33 HydrophobicContact CG-CG 3.86Å; P27-L34 HydrophobicContact CG-CB 4.42Å; P27-W37 HydrophobicContact CG-CD2 4.44Å
28F90.8Very high89.4Confident94 Ų9472.4 Ų72.441%0.41234%0.343SS..THydrogen-bonded Turntrans-60-23.5179.9-68.3-75.4000114.5F26 R30 L34 P48 K49F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 HydrophobicContact CB-CD2 4.34Å; F26-F28 HydrophobicContact CB-CE2 3.81Å; F26-F28 HydrophobicContact CB-CZ 3.97Å; F26-F28 VanDerWaalsContact O-CD2 3.29Å; F26-F28 WeakPolarHBondContact O-CD2 3.47Å; F26-F28 PolarHBondContact O-N 3.25Å; F28-R30 PolarHBondContact O-N 3.32Å; F28-L34 HydrophobicContact CD1-CD2 4.04Å; F28-L34 HydrophobicContact CE1-CD2 4.36Å; F28-P48 WeakPolarHBondContact CE1-O 3.35Å; F28-P48 HydrophobicContact CZ-CB 4.37Å; F28-P48 WeakPolarHBondContact CZ-O 3.16Å; F28-K49 VanDerWaalsContact CZ-C 3.46Å; F28-K49 WeakPolarHBondContact CZ-O 3.18Å
29S90.6Very high89.9Confident110 Ų11071.8 Ų71.877%0.76935%0.349SS*.THydrogen-bonded Turntrans-73.7-11.417555.60000113.8P27P27-S29 PolarHBondContact O-N 2.89Å; P27-S29 VanDerWaalsContact O-N 3.12Å
30R90.2Very high90.7Very high90 Ų9064.1 Ų64.134%0.3432%0.318SS..  trans-133.492.7-175.5-68.5-172.6-68.1137.8-3110.2P27 F28 E32 L33 L34 H75P27-R30 CarbonylContact O-C 3.59Å; P27-R30 PolarHBondContact O-N 3.48Å; P27-R30 VanDerWaalsContact O-O 3.14Å; F28-R30 PolarHBondContact O-N 3.32Å; R30-E32 VanDerWaalsContact C-N 3.31Å; R30-E32 PolarHBondContact O-N 3.14Å; R30-L33 HydrophobicContact CB-CB 4.29Å; R30-L33 VanDerWaalsContact CZ-CD2 3.41Å; R30-L33 VanDerWaalsContact NH1-CD2 3.32Å; R30-L33 PolarHBondContact O-N 3.41Å; R30-L34 WeakPolarHBondContact O-CB 3.31Å; R30-L34 PolarHBondContact O-N 3.08Å; R30-H75 PolarHBondContact NH1-O 3.1Å; R30-H75 PolarHBondContact NH2-O 3.37Å
31P90.6Very high91.1Very high77 Ų7757.5 Ų57.550%0.529%0.287SS..Hα-helixtrans-63.4-35.1-172.224.5-33.7000112.9L34 K35P31-L34 WeakPolarHBondContact O-CB 3.16Å; P31-L34 PolarHBondContact O-N 2.82Å; P31-K35 VanDerWaalsContact O-CG 3.3Å; P31-K35 WeakPolarHBondContact O-CG 3.45Å; P31-K35 PolarHBondContact O-N 3.49Å
32E91.8Very high90.7Very high125 Ų12558.2 Ų58.258%0.58430%0.299SS*.Hα-helixtrans-64.6-47.4179.3-58.4-46.8128.200112.2R30 L34 K35 E36R30-E32 VanDerWaalsContact C-N 3.31Å; R30-E32 PolarHBondContact O-N 3.14Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.28Å; E32-K35 PolarHBondContact O-N 3.29Å; E32-K35 IonicContact OE1-NZ 2.82Å; E32-K35 PolarHBondContact OE1-NZ 3.26Å; E32-K35 IonicContact OE2-NZ 3.08Å; E32-K35 PolarHBondContact OE2-NZ 2.91Å; E32-K35 VanDerWaalsContact OE2-NZ 3.08Å; E32-E36 PolarHBondContact O-N 3.19Å
33L92.6Very high90.3Very high16 Ų1661.4 Ų61.48%0.08431%0.307CS..Hα-helixtrans-65.8-35.7175.7-172.569.1000111.6P27 R30 E36 W37 H75 V78P27-L33 HydrophobicContact CB-CD2 4.03Å; P27-L33 HydrophobicContact CG-CB 4.11Å; P27-L33 HydrophobicContact CG-CD2 3.73Å; P27-L33 HydrophobicContact CG-CG 3.86Å; R30-L33 HydrophobicContact CB-CB 4.29Å; R30-L33 VanDerWaalsContact CZ-CD2 3.41Å; R30-L33 VanDerWaalsContact NH1-CD2 3.32Å; R30-L33 PolarHBondContact O-N 3.41Å; L33-E36 PolarHBondContact O-N 2.92Å; L33-W37 PolarHBondContact O-N 2.99Å; L33-H75 WeakPolarHBondContact CD2-O 3.33Å; L33-V78 HydrophobicContact CD1-CG1 3.38Å
34L92.6Very high89.8Confident32 Ų3262.6 Ų62.617%0.16833%0.33CS..Hα-helixtrans-61.2-44.3176.5178.760.6000111.6F26 P27 F28 R30 P31 E32 E36 W37 V38 P48F26-L34 HydrophobicContact CB-CD1 3.75Å; F26-L34 HydrophobicContact CD1-CD1 3.62Å; F26-L34 HydrophobicContact CG-CD1 4.11Å; P27-L34 HydrophobicContact CG-CB 4.42Å; F28-L34 HydrophobicContact CD1-CD2 4.04Å; F28-L34 HydrophobicContact CE1-CD2 4.36Å; R30-L34 WeakPolarHBondContact O-CB 3.31Å; R30-L34 PolarHBondContact O-N 3.08Å; P31-L34 WeakPolarHBondContact O-CB 3.16Å; P31-L34 PolarHBondContact O-N 2.82Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.28Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.04Å; L34-W37 PolarHBondContact O-N 2.89Å; L34-V38 WeakPolarHBondContact O-CG2 3.08Å; L34-V38 PolarHBondContact O-N 3.35Å; L34-V38 VanDerWaalsContact O-N 3.07Å; L34-P48 HydrophobicContact CD1-CG 3.81Å
35K91.1Very high89.2Confident113 Ų11370 Ų7049%0.49137%0.37SS..Hα-helixtrans-58.2-47.7175.6-70.4166.5-171.4166.90110.5P31 E32 W37 V38 L39P31-K35 VanDerWaalsContact O-CG 3.3Å; P31-K35 WeakPolarHBondContact O-CG 3.45Å; P31-K35 PolarHBondContact O-N 3.49Å; E32-K35 PolarHBondContact O-N 3.29Å; E32-K35 IonicContact OE1-NZ 2.82Å; E32-K35 PolarHBondContact OE1-NZ 3.26Å; E32-K35 IonicContact OE2-NZ 3.08Å; E32-K35 PolarHBondContact OE2-NZ 2.91Å; E32-K35 VanDerWaalsContact OE2-NZ 3.08Å; K35-W37 PolarHBondContact O-N 3.33Å; K35-V38 PolarHBondContact O-N 2.84Å; K35-V38 VanDerWaalsContact O-N 3.14Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.37Å; K35-L39 PolarHBondContact O-N 3Å
36E91.9Very high88.9Confident82 Ų8265.3 Ų65.338%0.38335%0.353SS..Hα-helixtrans-60.6-42.4179.5-167.6177.5177.400112.6E32 L33 L34 V38 L39 N40 V78E32-E36 PolarHBondContact O-N 3.19Å; L33-E36 PolarHBondContact O-N 2.92Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.04Å; E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 3.34Å; E36-L39 PolarHBondContact O-N 3.42Å; E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.07Å; E36-V78 HydrophobicContact CB-CG1 4.49Å; E36-V78 HydrophobicContact CG-CG1 3.96Å; E36-V78 WeakPolarHBondContact OE1-CG1 3.38Å; E36-V78 VanDerWaalsContact OE2-CG1 3.28Å; E36-V78 WeakPolarHBondContact OE2-CG1 3.5Å
37W93.5Very high88.7Confident7 Ų773.1 Ų73.13%0.02739%0.39CS..Hα-helixtrans-60.2-43.4174.5-7940.1000112.2H24 F26 P27 L33 L34 K35 I41 F59 L73 A77 P79H24-W37 HydrophobicContact CB-CH2 4.29Å; F26-W37 HydrophobicContact CD1-CB 4.18Å; F26-W37 AromaticContact CD1-CE3 3.79Å; F26-W37 HydrophobicContact CD1-CE3 3.79Å; F26-W37 HydrophobicContact CE1-CB 4.08Å; F26-W37 AromaticContact CE1-CE3 3.98Å; F26-W37 HydrophobicContact CE1-CE3 3.98Å; F26-W37 HydrophobicContact CG-CE3 4.24Å; P27-W37 HydrophobicContact CG-CD2 4.44Å; L33-W37 PolarHBondContact O-N 2.99Å; L34-W37 PolarHBondContact O-N 2.89Å; K35-W37 PolarHBondContact O-N 3.33Å; W37-I41 VanDerWaalsContact O-CD1 3.24Å; W37-I41 WeakPolarHBondContact O-CD1 3.2Å; W37-I41 WeakPolarHBondContact O-CG1 3.14Å; W37-I41 PolarHBondContact O-N 3.5Å; W37-F59 HydrophobicContact CE3-CZ 4.34Å; W37-F59 AromaticContact CH2-CE1 3.77Å; W37-F59 HydrophobicContact CH2-CE1 3.77Å; W37-F59 HydrophobicContact CH2-CE2 4.49Å; W37-F59 AromaticContact CH2-CZ 3.38Å; W37-F59 HydrophobicContact CH2-CZ 3.38Å; W37-F59 AromaticContact CZ2-CE1 3.54Å; W37-F59 HydrophobicContact CZ2-CE1 3.54Å; W37-F59 AromaticContact CZ2-CZ 3.69Å; W37-F59 HydrophobicContact CZ2-CZ 3.69Å; W37-F59 HydrophobicContact CZ3-CE1 4.41Å; W37-F59 AromaticContact CZ3-CZ 3.74Å; W37-F59 HydrophobicContact CZ3-CZ 3.74Å; W37-L73 HydrophobicContact CH2-CD1 3.6Å; W37-L73 HydrophobicContact CZ2-CD1 3.82Å; W37-A77 PolarHBondContact NE1-O 2.97Å; W37-P79 HydrophobicContact CB-CG 4.32Å; W37-P79 VanDerWaalsContact CD1-CD 3.44Å; W37-P79 HydrophobicContact CD2-CG 4.13Å; W37-P79 HydrophobicContact CE3-CG 4.48Å; W37-P79 HydrophobicContact CG-CG 4.04Å
38V91.6Very high88.6Confident32 Ų3273.3 Ų73.319%0.19439%0.391CS..Hα-helixtrans-65.7-41.8178.9170.90000111.1F26 L34 K35 E36 I41 F46 P48F26-V38 HydrophobicContact CE1-CG2 4.5Å; L34-V38 WeakPolarHBondContact O-CG2 3.08Å; L34-V38 PolarHBondContact O-N 3.35Å; L34-V38 VanDerWaalsContact O-N 3.07Å; K35-V38 PolarHBondContact O-N 2.84Å; K35-V38 VanDerWaalsContact O-N 3.14Å; E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 3.34Å; V38-I41 PolarHBondContact O-N 3.34Å; V38-F46 HydrophobicContact CG1-CD1 4.34Å; V38-F46 WeakPolarHBondContact CG1-O 3.15Å; V38-F46 HydrophobicContact CG2-CD1 4.34Å; V38-P48 HydrophobicContact CG2-CG 3.78Å
39L88.9Confident88.6Confident131 Ų13176.5 Ų76.569%0.68641%0.405SS*.Hα-helixtrans-60.4-49.3176.1-70.7172.8000111.1K35 E36 I41 G42K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.37Å; K35-L39 PolarHBondContact O-N 3Å; E36-L39 PolarHBondContact O-N 3.42Å; L39-I41 VanDerWaalsContact C-N 3.28Å; L39-I41 PolarHBondContact O-N 3.21Å; L39-G42 WeakPolarHBondContact O-CA 3.47Å; L39-G42 PolarHBondContact O-N 2.95Å
40N90Very high88.4Confident29 Ų2977.9 Ų77.916%0.15540%0.399CS..Hα-helixtrans-66.8-29.5-176.6-66.2-9.7000113E36 G42 P79 F82 F84 Q85E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.07Å; N40-G42 PolarHBondContact O-N 3.01Å; N40-P79 HydrophobicContact CB-CG 4.48Å; N40-P79 WeakPolarHBondContact CB-O 3.48Å; N40-P79 PolarHBondContact ND2-O 3.38Å; N40-F82 VanDerWaalsContact C-CE2 3.5Å; N40-F82 HydrophobicContact CB-CD2 4.37Å; N40-F82 HydrophobicContact CB-CE2 3.81Å; N40-F82 WeakPolarHBondContact O-CD2 3.3Å; N40-F82 WeakPolarHBondContact O-CE2 3.3Å; N40-F84 WeakPolarHBondContact O-CE2 3.48Å; N40-F84 VanDerWaalsContact O-CZ 3.31Å; N40-F84 WeakPolarHBondContact O-CZ 3.26Å; N40-Q85 PolarHBondContact O-NE2 3.05Å
41I88.7Confident88.4Confident0 Ų080 Ų800%041%0.413CS..Hα-helixtrans-65.3-19.6173.4-70.5162.5000111.9F26 W37 V38 L39 R43 F46 I54 F82 F84F26-I41 HydrophobicContact CE1-CD1 3.6Å; F26-I41 HydrophobicContact CZ-CD1 3.44Å; F26-I41 VanDerWaalsContact CZ-CD1 3.44Å; W37-I41 VanDerWaalsContact O-CD1 3.24Å; W37-I41 WeakPolarHBondContact O-CD1 3.2Å; W37-I41 WeakPolarHBondContact O-CG1 3.14Å; W37-I41 PolarHBondContact O-N 3.5Å; V38-I41 PolarHBondContact O-N 3.34Å; L39-I41 VanDerWaalsContact C-N 3.28Å; L39-I41 PolarHBondContact O-N 3.21Å; I41-R43 HydrophobicContact CG2-CB 4.11Å; I41-R43 PolarHBondContact O-N 3.3Å; I41-F46 HydrophobicContact CD1-CE1 3.98Å; I41-F46 HydrophobicContact CG2-CD1 4.46Å; I41-I54 HydrophobicContact CD1-CD1 3.65Å; I41-I54 HydrophobicContact CD1-CG1 4.1Å; I41-I54 HydrophobicContact CG1-CD1 4.1Å; I41-F82 HydrophobicContact CB-CZ 4.42Å; I41-F82 HydrophobicContact CG1-CE1 4.29Å; I41-F82 HydrophobicContact CG1-CZ 3.71Å; I41-F84 WeakPolarHBondContact O-CZ 3.35Å
42G80.1Confident88.4Confident35 Ų3577.7 Ų77.736%0.36140%0.397SS..THydrogen-bonded Turntrans63.526.117100000113.9R8 L39 N40R8-G42 WeakPolarHBondContact CD-O 3.43Å; R8-G42 PolarHBondContact NE-O 3.41Å; L39-G42 WeakPolarHBondContact O-CA 3.47Å; L39-G42 PolarHBondContact O-N 2.95Å; N40-G42 PolarHBondContact O-N 3.01Å
43R81.8Confident88.4Confident106 Ų10671.9 Ų71.940%0.437%0.37SS..  trans-104.2114.9177.7-169.4-171.4-63.4-153.43109.3A6 R8 I41 F46A6-R43 PolarHBondContact O-NH2 3.36Å; R8-R43 HydrophobicContact CG-CB 4.31Å; I41-R43 HydrophobicContact CG2-CB 4.11Å; I41-R43 PolarHBondContact O-N 3.3Å; R43-F46 HydrophobicContact CB-CB 3.79Å; R43-F46 HydrophobicContact CB-CG 4.3Å; R43-F46 HydrophobicContact CG-CB 3.95Å; R43-F46 WeakPolarHBondContact O-CB 3.25Å; R43-F46 PolarHBondContact O-N 3.3Å
44G78.9Confident88.5Confident64 Ų6471.1 Ų71.166%0.6637%0.366SS*.THydrogen-bonded Turntrans-57.8138.817300000111.5F46G44-F46 PolarHBondContact O-N 3.33Å; G44-F46 VanDerWaalsContact O-N 3.13Å
45N81.1Confident88.5Confident175 Ų17569.6 Ų69.694%0.93636%0.358SS*.THydrogen-bonded Turntrans57.224.8178.4-54.2-39.7000115Q47N45-Q47 PolarHBondContact O-N 2.88Å
46F86.6Confident88.5Confident29 Ų2964.9 Ų64.913%0.12734%0.34CS..  trans-82.2115.2178.9179.5-113.9000111.8A6 F26 V38 I41 R43 G44 P48 T52A6-F46 HydrophobicContact CB-CE2 4.38Å; A6-F46 HydrophobicContact CB-CZ 3.79Å; F26-F46 HydrophobicContact CE1-CE1 4.21Å; F26-F46 AromaticContact CZ-CE1 3.85Å; F26-F46 HydrophobicContact CZ-CE1 3.85Å; F26-F46 HydrophobicContact CZ-CZ 4.24Å; V38-F46 HydrophobicContact CG1-CD1 4.34Å; V38-F46 WeakPolarHBondContact CG1-O 3.15Å; V38-F46 HydrophobicContact CG2-CD1 4.34Å; I41-F46 HydrophobicContact CD1-CE1 3.98Å; I41-F46 HydrophobicContact CG2-CD1 4.46Å; R43-F46 HydrophobicContact CB-CB 3.79Å; R43-F46 HydrophobicContact CB-CG 4.3Å; R43-F46 HydrophobicContact CG-CB 3.95Å; R43-F46 WeakPolarHBondContact O-CB 3.25Å; R43-F46 PolarHBondContact O-N 3.3Å; G44-F46 PolarHBondContact O-N 3.33Å; G44-F46 VanDerWaalsContact O-N 3.13Å; F46-P48 HydrophobicContact CE1-CB 4Å; F46-P48 HydrophobicContact CE1-CG 4.42Å; F46-P48 HydrophobicContact CZ-CB 4.22Å; F46-T52 HydrophobicContact CE2-CG2 4.25Å; F46-T52 HydrophobicContact CZ-CG2 3.64Å
47Q88.6Confident88.5Confident172 Ų17265.8 Ų65.880%0.80434%0.344SS*.  trans-107.6108.4169.9-69.3-171.4-2.700110.1N45 K49N45-Q47 PolarHBondContact O-N 2.88Å; Q47-K49 PolarHBondContact O-N 2.9Å
48P89.3Confident88.5Confident21 Ų2166.4 Ų66.414%0.13635%0.347CS..  trans-66.2132.417726.4-32.4000110.1F26 F28 L34 V38 F46 T52F26-P48 HydrophobicContact CB-CB 4.3Å; F26-P48 HydrophobicContact CD1-CB 3.71Å; F26-P48 HydrophobicContact CD1-CG 3.77Å; F26-P48 HydrophobicContact CD2-CB 3.74Å; F26-P48 HydrophobicContact CE1-CB 3.85Å; F26-P48 HydrophobicContact CE1-CG 4.05Å; F26-P48 HydrophobicContact CE2-CB 3.94Å; F26-P48 HydrophobicContact CG-CB 3.63Å; F26-P48 HydrophobicContact CG-CG 4.07Å; F26-P48 HydrophobicContact CZ-CB 3.97Å; F28-P48 WeakPolarHBondContact CE1-O 3.35Å; F28-P48 HydrophobicContact CZ-CB 4.37Å; F28-P48 WeakPolarHBondContact CZ-O 3.16Å; L34-P48 HydrophobicContact CD1-CG 3.81Å; V38-P48 HydrophobicContact CG2-CG 3.78Å; F46-P48 HydrophobicContact CE1-CB 4Å; F46-P48 HydrophobicContact CE1-CG 4.42Å; F46-P48 HydrophobicContact CZ-CB 4.22Å; P48-T52 HydrophobicContact CB-CG2 4.3Å
49K89.8Confident88.5Confident161 Ų16165.2 Ų65.270%0.734%0.339SS*.  trans-93.2169.2172.6-62-176.8-179.8-178.40110F28 Q47 H51 T52F28-K49 VanDerWaalsContact CZ-C 3.46Å; F28-K49 WeakPolarHBondContact CZ-O 3.18Å; Q47-K49 PolarHBondContact O-N 2.9Å; K49-H51 PolarHBondContact O-N 3.48Å; K49-T52 PolarHBondContact N-OG1 3.43Å; K49-T52 VanDerWaalsContact O-CB 3.25Å; K49-T52 WeakPolarHBondContact O-CB 3.24Å; K49-T52 PolarHBondContact O-N 3.29Å; K49-T52 PolarHBondContact O-OG1 3.11Å
50Q87.5Confident88.6Confident138 Ų13863.7 Ų63.765%0.64532%0.324SS*.THydrogen-bonded Turntrans-54.5-31.1-177.5-66.5-172.80.100114.5R25R25-Q50 PolarHBondContact NH1-O 2.78Å
51H88.9Confident88.5Confident135 Ų13567.4 Ų67.463%0.62535%0.35SS*.THydrogen-bonded Turntrans-96.2-3.1-178.5-52.3-66.7000113.8K49K49-H51 PolarHBondContact O-N 3.48Å
52T91Very high88.4Confident29 Ų2972.1 Ų72.118%0.17837%0.372CS..  trans-70.5135.7175.9-50.40000109A6 F26 F46 P48 K49A6-T52 HydrophobicContact CB-CG2 3.41Å; A6-T52 VanDerWaalsContact CB-CG2 3.41Å; F26-T52 HydrophobicContact CD2-CG2 4.3Å; F26-T52 WeakPolarHBondContact CD2-O 3.35Å; F26-T52 HydrophobicContact CE2-CG2 3.7Å; F26-T52 HydrophobicContact CZ-CG2 4.42Å; F46-T52 HydrophobicContact CE2-CG2 4.25Å; F46-T52 HydrophobicContact CZ-CG2 3.64Å; P48-T52 HydrophobicContact CB-CG2 4.3Å; K49-T52 PolarHBondContact N-OG1 3.43Å; K49-T52 VanDerWaalsContact O-CB 3.25Å; K49-T52 WeakPolarHBondContact O-CB 3.24Å; K49-T52 PolarHBondContact O-N 3.29Å; K49-T52 PolarHBondContact O-OG1 3.11Å
53V92.9Very high88.9Confident2 Ų271.3 Ų71.31%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-138.8158.1-175.5-65.50000111.9K3 S4 C5 A6 F23 H24 R25K3-V53 HydrophobicContact CB-CG2 3.81Å; K3-V53 HydrophobicContact CD-CG1 4.28Å; S4-V53 WeakPolarHBondContact O-CG2 3.44Å; C5-V53 CarbonylContact C-O 3.42Å; A6-V53 WeakPolarHBondContact CB-O 3.39Å; A6-V53 PolarHBondContact N-O 3.41Å; F23-V53 HydrophobicContact CB-CB 4.25Å; F23-V53 HydrophobicContact CB-CG2 4.18Å; F23-V53 HydrophobicContact CD1-CG2 3.76Å; F23-V53 HydrophobicContact CG-CG2 4.37Å; H24-V53 CarbonylContact O-C 3.53Å; H24-V53 VanDerWaalsContact O-CA 3.23Å; H24-V53 WeakPolarHBondContact O-CA 3.4Å; H24-V53 WeakPolarHBondContact O-CB 3.44Å; R25-V53 HydrophobicContact CG-CG1 4Å
54I93.5Very high89.2Confident0 Ų068 Ų680%035%0.349CS..EExtended strand (participates in β ladder)trans-120.4138.7172.3-60.6-67.7000108.6A6 A7 H24 F26 I41 H58 F59A6-I54 HydrophobicContact CB-CD1 3.88Å; A7-I54 HydrophobicContact CB-CD1 4.13Å; H24-I54 PolarHBondContact N-O 3.31Å; H24-I54 PolarHBondContact O-N 3.19Å; F26-I54 HydrophobicContact CE2-CD1 4.39Å; F26-I54 HydrophobicContact CE2-CG1 3.85Å; F26-I54 HydrophobicContact CZ-CD1 4.03Å; F26-I54 HydrophobicContact CZ-CG1 3.68Å; I41-I54 HydrophobicContact CD1-CD1 3.65Å; I41-I54 HydrophobicContact CD1-CG1 4.1Å; I41-I54 HydrophobicContact CG1-CD1 4.1Å; I54-H58 HydrophobicContact CG2-CB 3.75Å; I54-F59 HydrophobicContact CB-CE2 4.16Å; I54-F59 HydrophobicContact CB-CZ 4.44Å; I54-F59 HydrophobicContact CG2-CE2 3.68Å; I54-F59 HydrophobicContact CG2-CZ 4.17Å
55C92.2Very high89.7Confident0 Ų066.7 Ų66.70%033%0.33CS..EExtended strand (participates in β ladder)trans-80.2160.1177.264.10000112.4C5 C10 N12 L21 T22 F23 E57 H58C5-C55 HydrophobicContact CB-CB 4.34Å; C5-C55 PolarHBondContact SG-N 2.78Å; C10-C55 VanDerWaalsContact SG-SG 3.64Å; N12-C55 HydrophobicContact CB-CB 4.32Å; N12-C55 PolarHBondContact ND2-SG 3.06Å; L21-C55 HydrophobicContact CD1-CB 3.86Å; L21-C55 HydrophobicContact CD2-CB 4.29Å; L21-C55 HydrophobicContact CG-CB 4.11Å; T22-C55 CarbonylContact O-C 3.58Å; T22-C55 VanDerWaalsContact O-CA 3.25Å; T22-C55 WeakPolarHBondContact O-CA 3.33Å; F23-C55 HydrophobicContact CD1-CB 4.13Å; F23-C55 HydrophobicContact CE1-CB 3.95Å; F23-C55 HydrophobicContact CZ-CB 4.47Å; C55-E57 PolarHBondContact O-N 2.95Å; C55-E57 VanDerWaalsContact O-N 3.16Å; C55-H58 PolarHBondContact O-N 2.76Å; C55-H58 PolarHBondContact SG-CD2 3.16Å
56S91.4Very high89.6Confident15 Ų1562.9 Ų62.911%0.10532%0.323CS..G310 helixtrans-60.3-24.5-175.950.40000115.3T22 H58 F59T22-S56 PolarHBondContact N-OG 3.44Å; T22-S56 PolarHBondContact O-N 2.82Å; T22-S56 WeakPolarHBondContact OG1-CB 3.25Å; S56-H58 PolarHBondContact O-N 3.03Å; S56-F59 PolarHBondContact O-N 2.95Å; S56-F59 VanDerWaalsContact O-N 3.11Å
57E91.7Very high88.7Confident101 Ų10170.1 Ų70.147%0.47236%0.355SS..G310 helixtrans-62.5-20.9179.9-71.4175-175.200113.8N12 L21 C55 F59N12-E57 PolarHBondContact ND2-OE2 2.95Å; L21-E57 HydrophobicContact CD1-CG 3.88Å; C55-E57 PolarHBondContact O-N 2.95Å; C55-E57 VanDerWaalsContact O-N 3.16Å; E57-F59 VanDerWaalsContact C-N 3.3Å
58H93.3Very high87.5Confident20 Ų2064.5 Ų64.59%0.09334%0.343CS..G310 helixtrans-85.6-4.5178.5-61.9-61.3000113.8A7 C10 I54 C55 S56 P79 T80 V81 F82A7-H58 WeakPolarHBondContact CB-NE2 3.39Å; C10-H58 PolarHBondContact SG-NE2 3.01Å; I54-H58 HydrophobicContact CG2-CB 3.75Å; C55-H58 PolarHBondContact O-N 2.76Å; C55-H58 PolarHBondContact SG-CD2 3.16Å; S56-H58 PolarHBondContact O-N 3.03Å; H58-P79 HydrophobicContact CB-CB 4.04Å; H58-P79 CarbonylContact O-C 3.45Å; H58-P79 WeakPolarHBondContact O-CA 3.13Å; H58-T80 PolarHBondContact O-N 2.74Å; H58-V81 WeakPolarHBondContact CA-O 3.36Å; H58-V81 PolarHBondContact ND1-O 3.28Å; H58-V81 PolarHBondContact O-N 3.13Å; H58-F82 HydrophobicContact CB-CE1 4.16Å; H58-F82 HydrophobicContact CB-CZ 4.19Å; H58-F82 AromaticContact CG-CE1 3.78Å; H58-F82 AromaticContact ND1-CD1 3.57Å; H58-F82 AromaticContact ND1-CE1 3.53Å
59F92.3Very high86.3Confident7 Ų771.9 Ų71.93%0.03138%0.382CS..SBendtrans-108.6138.8178.6-61.9-87.9000109.1H24 W37 I54 S56 E57 C63 F64 L73 P79H24-F59 HydrophobicContact CB-CE2 4.46Å; W37-F59 HydrophobicContact CE3-CZ 4.34Å; W37-F59 AromaticContact CH2-CE1 3.77Å; W37-F59 HydrophobicContact CH2-CE1 3.77Å; W37-F59 HydrophobicContact CH2-CE2 4.49Å; W37-F59 AromaticContact CH2-CZ 3.38Å; W37-F59 HydrophobicContact CH2-CZ 3.38Å; W37-F59 AromaticContact CZ2-CE1 3.54Å; W37-F59 HydrophobicContact CZ2-CE1 3.54Å; W37-F59 AromaticContact CZ2-CZ 3.69Å; W37-F59 HydrophobicContact CZ2-CZ 3.69Å; W37-F59 HydrophobicContact CZ3-CE1 4.41Å; W37-F59 AromaticContact CZ3-CZ 3.74Å; W37-F59 HydrophobicContact CZ3-CZ 3.74Å; I54-F59 HydrophobicContact CB-CE2 4.16Å; I54-F59 HydrophobicContact CB-CZ 4.44Å; I54-F59 HydrophobicContact CG2-CE2 3.68Å; I54-F59 HydrophobicContact CG2-CZ 4.17Å; S56-F59 PolarHBondContact O-N 2.95Å; S56-F59 VanDerWaalsContact O-N 3.11Å; E57-F59 VanDerWaalsContact C-N 3.3Å; F59-C63 HydrophobicContact CB-CB 4.19Å; F59-F64 HydrophobicContact CB-CE2 3.74Å; F59-F64 HydrophobicContact CB-CZ 3.73Å; F59-F64 HydrophobicContact CG-CZ 4.43Å; F59-L73 HydrophobicContact CB-CD2 3.97Å; F59-L73 HydrophobicContact CD1-CD1 3.94Å; F59-L73 HydrophobicContact CD1-CD2 3.59Å; F59-L73 HydrophobicContact CD1-CG 4.44Å; F59-L73 HydrophobicContact CD2-CD1 4.32Å; F59-L73 HydrophobicContact CD2-CD2 4.1Å; F59-L73 HydrophobicContact CE1-CD1 3.51Å; F59-L73 HydrophobicContact CE1-CD2 4.09Å; F59-L73 HydrophobicContact CE1-CG 4.47Å; F59-L73 HydrophobicContact CE2-CD1 3.94Å; F59-L73 HydrophobicContact CG-CD1 4.32Å; F59-L73 HydrophobicContact CG-CD2 3.6Å; F59-L73 HydrophobicContact CZ-CD1 3.53Å; F59-P79 HydrophobicContact CD1-CB 4.23Å; F59-P79 HydrophobicContact CE1-CB 3.81Å; F59-P79 HydrophobicContact CE1-CG 4.22Å; F59-P79 HydrophobicContact CE2-CB 4.39Å; F59-P79 HydrophobicContact CZ-CB 3.88Å; F59-P79 HydrophobicContact CZ-CG 4.31Å
60R91.1Very high85.3Confident98 Ų9873.6 Ų73.637%0.3738%0.384SS..  trans-67.5153.1173-56.3175.748.5157.7-0110.7E62 C63 F64 V81R60-E62 WeakPolarHBondContact CB-OE2 3.23Å; R60-E62 IonicContact CZ-OE1 3.74Å; R60-E62 IonicContact CZ-OE2 3.71Å; R60-E62 IonicContact NE-OE1 3.7Å; R60-E62 IonicContact NE-OE2 3.01Å; R60-E62 PolarHBondContact NE-OE2 3.12Å; R60-E62 IonicContact NH2-OE1 2.9Å; R60-E62 PolarHBondContact NH2-OE1 3.12Å; R60-E62 IonicContact NH2-OE2 3.59Å; R60-E62 PolarHBondContact O-N 3.33Å; R60-E62 VanDerWaalsContact O-N 3.1Å; R60-C63 VanDerWaalsContact O-CB 3.26Å; R60-C63 WeakPolarHBondContact O-CB 3.37Å; R60-C63 PolarHBondContact O-N 2.82Å; R60-F64 WeakPolarHBondContact O-CD2 3.35Å; R60-F64 WeakPolarHBondContact O-CE2 2.93Å; R60-V81 HydrophobicContact CG-CG2 3.79Å
61P87.1Confident84.7Confident107 Ų10771.4 Ų71.470%0.69537%0.372SS*.G310 helixtrans-54.3-31.2179.2-26.735.9000113.8C63 F64P61-C63 VanDerWaalsContact C-N 3.26Å; P61-C63 PolarHBondContact O-N 3.39Å; P61-F64 PolarHBondContact O-N 2.95Å
62E88.3Confident84.5Confident99 Ų9969.2 Ų69.246%0.46337%0.365SS..G310 helixtrans-73.9-17.4-179-45.384.6170.200112.8R60 F64 K74R60-E62 WeakPolarHBondContact CB-OE2 3.23Å; R60-E62 IonicContact CZ-OE1 3.74Å; R60-E62 IonicContact CZ-OE2 3.71Å; R60-E62 IonicContact NE-OE1 3.7Å; R60-E62 IonicContact NE-OE2 3.01Å; R60-E62 PolarHBondContact NE-OE2 3.12Å; R60-E62 IonicContact NH2-OE1 2.9Å; R60-E62 PolarHBondContact NH2-OE1 3.12Å; R60-E62 IonicContact NH2-OE2 3.59Å; R60-E62 PolarHBondContact O-N 3.33Å; R60-E62 VanDerWaalsContact O-N 3.1Å; E62-F64 PolarHBondContact O-N 3.31Å; E62-K74 WeakPolarHBondContact O-CD 3.29Å; E62-K74 WeakPolarHBondContact O-CE 3.28Å; E62-K74 PolarHBondContact O-NZ 3.49Å
63C89.3Confident84.4Confident19 Ų1969.6 Ų69.613%0.12837%0.366CS..G310 helixtrans-73.4-11.8175-63.10000112.6F59 R60 P61 L73 K74 A77F59-C63 HydrophobicContact CB-CB 4.19Å; R60-C63 VanDerWaalsContact O-CB 3.26Å; R60-C63 WeakPolarHBondContact O-CB 3.37Å; R60-C63 PolarHBondContact O-N 2.82Å; P61-C63 VanDerWaalsContact C-N 3.26Å; P61-C63 PolarHBondContact O-N 3.39Å; C63-L73 HydrophobicContact CB-CD2 4.32Å; C63-L73 WeakPolarHBondContact O-CA 3.42Å; C63-K74 WeakPolarHBondContact O-CB 3.35Å; C63-K74 WeakPolarHBondContact O-CG 3.42Å; C63-K74 PolarHBondContact O-N 3.23Å; C63-A77 HydrophobicContact CB-CB 3.79Å
64F89.6Confident84.3Confident35 Ų3574.5 Ų74.515%0.15439%0.387CS..BIsolated β-bridgetrans-90.5143.2178.4-62.6-84.6000111.4H24 F59 R60 P61 E62 A66 K71 N72 L73 K74H24-F64 AromaticContact NE2-CE1 3.77Å; F59-F64 HydrophobicContact CB-CE2 3.74Å; F59-F64 HydrophobicContact CB-CZ 3.73Å; F59-F64 HydrophobicContact CG-CZ 4.43Å; R60-F64 WeakPolarHBondContact O-CD2 3.35Å; R60-F64 WeakPolarHBondContact O-CE2 2.93Å; P61-F64 PolarHBondContact O-N 2.95Å; E62-F64 PolarHBondContact O-N 3.31Å; F64-A66 PolarHBondContact O-N 3.44Å; F64-K71 HydrophobicContact CD1-CB 3.87Å; F64-K71 HydrophobicContact CE1-CB 4.21Å; F64-N72 WeakPolarHBondContact CA-O 3.42Å; F64-L73 HydrophobicContact CD1-CD2 3.89Å; F64-L73 HydrophobicContact CE1-CD2 3.6Å; F64-L73 HydrophobicContact CE1-CG 4.42Å; F64-L73 HydrophobicContact CG-CD2 4.49Å; F64-L73 HydrophobicContact CZ-CD2 3.96Å; F64-K74 WeakPolarHBondContact O-CE 3.26Å
65S88.1Confident83.8Confident38 Ų3880.7 Ų80.727%0.26642%0.416SS..  trans-71.2123.8170.3-179.50000109.3F67 N72S65-F67 PolarHBondContact O-N 3.14Å; S65-F67 PolarHBondContact OG-N 3.36Å; S65-F67 PolarHBondContact OG-O 3.06Å; S65-N72 PolarHBondContact N-O 3.16Å
66A78.6Confident83.6Confident95 Ų9585.8 Ų85.879%0.78544%0.442SS*.SBendtrans-69.4-14.9170.600000112.5F64F64-A66 PolarHBondContact O-N 3.44Å
67F69.2Low83.6Confident180 Ų18085.2 Ų85.279%0.78944%0.439SS*.SBendtrans-98.4114.6-179.8-56.7-78.9000110.1S65S65-F67 PolarHBondContact O-N 3.14Å; S65-F67 PolarHBondContact OG-N 3.36Å; S65-F67 PolarHBondContact OG-O 3.06Å
68G62.5Low83.6Confident54 Ų5481.4 Ų81.456%0.55742%0.422SS*.SBendtrans126.2158.7170.300000114.6R70G68-R70 PolarHBondContact O-N 3.25Å
69N64.8Low83.5Confident177 Ų17780.4 Ų80.495%0.94742%0.418SS*.SBendtrans-76.6-2.8-175.9-52.13.8000113
70R68.4Low83.3Confident197 Ų19782.4 Ų82.474%0.74343%0.43SS*.SBendtrans-127.9141.1179.8-59.8-173.7-165.5176.14.8108.9G68 N72G68-R70 PolarHBondContact O-N 3.25Å; R70-N72 PolarHBondContact O-N 2.91Å
71K73.9Confident83Confident91 Ų9181 Ų8140%0.39643%0.433SS..  trans-67.373.6174-61.6-177.7-173.4172.80110.3Q20 T22 H24 F64Q20-K71 PolarHBondContact O-NZ 2.84Å; Q20-K71 VanDerWaalsContact O-NZ 3.09Å; T22-K71 HydrophobicContact CG2-CB 4.27Å; T22-K71 HydrophobicContact CG2-CD 4.44Å; H24-K71 PolarHBondContact CE1-O 2.94Å; F64-K71 HydrophobicContact CD1-CB 3.87Å; F64-K71 HydrophobicContact CE1-CB 4.21Å
72N85.3Confident82.8Confident90 Ų9076.6 Ų76.648%0.48140%0.403SS..PPolyproline II helixtrans-82.3140.8176.2-73.1-34.9000109.9F64 S65 R70F64-N72 WeakPolarHBondContact CA-O 3.42Å; S65-N72 PolarHBondContact N-O 3.16Å; R70-N72 PolarHBondContact O-N 2.91Å
73L89.5Confident81.9Confident37 Ų3776.9 Ų76.919%0.19442%0.422CS..BIsolated β-bridgetrans-71.8142.3173.2-68.7175000110.5H24 W37 F59 C63 F64 A77H24-L73 HydrophobicContact CB-CD1 3.63Å; H24-L73 VanDerWaalsContact CG-CD1 3.47Å; W37-L73 HydrophobicContact CH2-CD1 3.6Å; W37-L73 HydrophobicContact CZ2-CD1 3.82Å; F59-L73 HydrophobicContact CB-CD2 3.97Å; F59-L73 HydrophobicContact CD1-CD1 3.94Å; F59-L73 HydrophobicContact CD1-CD2 3.59Å; F59-L73 HydrophobicContact CD1-CG 4.44Å; F59-L73 HydrophobicContact CD2-CD1 4.32Å; F59-L73 HydrophobicContact CD2-CD2 4.1Å; F59-L73 HydrophobicContact CE1-CD1 3.51Å; F59-L73 HydrophobicContact CE1-CD2 4.09Å; F59-L73 HydrophobicContact CE1-CG 4.47Å; F59-L73 HydrophobicContact CE2-CD1 3.94Å; F59-L73 HydrophobicContact CG-CD1 4.32Å; F59-L73 HydrophobicContact CG-CD2 3.6Å; F59-L73 HydrophobicContact CZ-CD1 3.53Å; C63-L73 HydrophobicContact CB-CD2 4.32Å; C63-L73 WeakPolarHBondContact O-CA 3.42Å; F64-L73 HydrophobicContact CD1-CD2 3.89Å; F64-L73 HydrophobicContact CE1-CD2 3.6Å; F64-L73 HydrophobicContact CE1-CG 4.42Å; F64-L73 HydrophobicContact CG-CD2 4.49Å; F64-L73 HydrophobicContact CZ-CD2 3.96Å; L73-A77 HydrophobicContact CB-CB 3.8Å; L73-A77 HydrophobicContact CD2-CB 4.02Å; L73-A77 HydrophobicContact CG-CB 4.32Å
74K89.6Confident81Confident104 Ų10479.4 Ų79.445%0.45243%0.431SS..PPolyproline II helixtrans-59.9158.8167.8-70.8178.1179.7170.30109.7E62 C63 F64 N76 A77E62-K74 WeakPolarHBondContact O-CD 3.29Å; E62-K74 WeakPolarHBondContact O-CE 3.28Å; E62-K74 PolarHBondContact O-NZ 3.49Å; C63-K74 WeakPolarHBondContact O-CB 3.35Å; C63-K74 WeakPolarHBondContact O-CG 3.42Å; C63-K74 PolarHBondContact O-N 3.23Å; F64-K74 WeakPolarHBondContact O-CE 3.26Å; K74-N76 VanDerWaalsContact C-N 3.28Å; K74-N76 PolarHBondContact O-N 2.9Å; K74-A77 HydrophobicContact CB-CB 4.42Å; K74-A77 VanDerWaalsContact O-CB 3.26Å; K74-A77 WeakPolarHBondContact O-CB 3.46Å; K74-A77 PolarHBondContact O-N 3.28Å; K74-A77 VanDerWaalsContact O-N 3.13Å
75H84.6Confident79.7Confident131 Ų13181.2 Ų81.261%0.60644%0.44SS*.THydrogen-bonded Turntrans-58.3-38.7-18061.4-73.5000112R30 L33R30-H75 PolarHBondContact NH1-O 3.1Å; R30-H75 PolarHBondContact NH2-O 3.37Å; L33-H75 WeakPolarHBondContact CD2-O 3.33Å
76N86.4Confident77.7Confident106 Ų10685.7 Ų85.757%0.56746%0.461SS*.THydrogen-bonded Turntrans-98.422.1179.1-55.9-26.2000113.6K74K74-N76 VanDerWaalsContact C-N 3.28Å; K74-N76 PolarHBondContact O-N 2.9Å
77A92Very high76.4Confident3 Ų386.6 Ų86.63%0.02546%0.459CS..  trans-71.1134.418000000111.5W37 C63 L73 K74W37-A77 PolarHBondContact NE1-O 2.97Å; C63-A77 HydrophobicContact CB-CB 3.79Å; L73-A77 HydrophobicContact CB-CB 3.8Å; L73-A77 HydrophobicContact CD2-CB 4.02Å; L73-A77 HydrophobicContact CG-CB 4.32Å; K74-A77 HydrophobicContact CB-CB 4.42Å; K74-A77 VanDerWaalsContact O-CB 3.26Å; K74-A77 WeakPolarHBondContact O-CB 3.46Å; K74-A77 PolarHBondContact O-N 3.28Å; K74-A77 VanDerWaalsContact O-N 3.13Å
78V92.1Very high75.1Confident21 Ų2184.1 Ų84.113%0.12746%0.458CS..  trans-128.8141.4178.9-670000109.3L33 E36 T80L33-V78 HydrophobicContact CD1-CG1 3.38Å; E36-V78 HydrophobicContact CB-CG1 4.49Å; E36-V78 HydrophobicContact CG-CG1 3.96Å; E36-V78 WeakPolarHBondContact OE1-CG1 3.38Å; E36-V78 VanDerWaalsContact OE2-CG1 3.28Å; E36-V78 WeakPolarHBondContact OE2-CG1 3.5Å; V78-T80 HydrophobicContact CG2-CG2 3.8Å; V78-T80 PolarHBondContact O-N 2.79Å
79P90.3Very high74.4Confident0 Ų089.3 Ų89.30%047%0.468CS..  trans-75118.7174.930.8-31.2000107.6W37 N40 H58 F59 F82W37-P79 HydrophobicContact CB-CG 4.32Å; W37-P79 VanDerWaalsContact CD1-CD 3.44Å; W37-P79 HydrophobicContact CD2-CG 4.13Å; W37-P79 HydrophobicContact CE3-CG 4.48Å; W37-P79 HydrophobicContact CG-CG 4.04Å; N40-P79 HydrophobicContact CB-CG 4.48Å; N40-P79 WeakPolarHBondContact CB-O 3.48Å; N40-P79 PolarHBondContact ND2-O 3.38Å; H58-P79 HydrophobicContact CB-CB 4.04Å; H58-P79 CarbonylContact O-C 3.45Å; H58-P79 WeakPolarHBondContact O-CA 3.13Å; F59-P79 HydrophobicContact CD1-CB 4.23Å; F59-P79 HydrophobicContact CE1-CB 3.81Å; F59-P79 HydrophobicContact CE1-CG 4.22Å; F59-P79 HydrophobicContact CE2-CB 4.39Å; F59-P79 HydrophobicContact CZ-CB 3.88Å; F59-P79 HydrophobicContact CZ-CG 4.31Å; P79-F82 HydrophobicContact CB-CE2 3.78Å; P79-F82 HydrophobicContact CB-CZ 3.76Å; P79-F82 HydrophobicContact CG-CE2 4.16Å; P79-F82 HydrophobicContact CG-CZ 4.17Å; P79-F82 WeakPolarHBondContact O-CE2 3.49Å
80T89.1Confident73.6Confident48 Ų4887.4 Ų87.429%0.29445%0.454SS..  trans-124.8-11.2-178.544.80000112.4H58 V78 F82H58-T80 PolarHBondContact O-N 2.74Å; V78-T80 HydrophobicContact CG2-CG2 3.8Å; V78-T80 PolarHBondContact O-N 2.79Å; T80-F82 PolarHBondContact O-N 2.71Å
81V85Confident72.3Confident69 Ų6984.3 Ų84.342%0.41846%0.456SS..  trans-91.392.4-179.3-173.80000108.7H58 R60H58-V81 WeakPolarHBondContact CA-O 3.36Å; H58-V81 PolarHBondContact ND1-O 3.28Å; H58-V81 PolarHBondContact O-N 3.13Å; R60-V81 HydrophobicContact CG-CG2 3.79Å
82F81.8Confident71.2Confident14 Ų1491.3 Ų91.36%0.06148%0.48CS..  trans-132.5134.6175.8-68.6-72.4000110.1A7 N40 I41 H58 P79 T80 F84 Q85A7-F82 HydrophobicContact CB-CD1 4.4Å; A7-F82 HydrophobicContact CB-CE1 3.69Å; N40-F82 VanDerWaalsContact C-CE2 3.5Å; N40-F82 HydrophobicContact CB-CD2 4.37Å; N40-F82 HydrophobicContact CB-CE2 3.81Å; N40-F82 WeakPolarHBondContact O-CD2 3.3Å; N40-F82 WeakPolarHBondContact O-CE2 3.3Å; I41-F82 HydrophobicContact CB-CZ 4.42Å; I41-F82 HydrophobicContact CG1-CE1 4.29Å; I41-F82 HydrophobicContact CG1-CZ 3.71Å; H58-F82 HydrophobicContact CB-CE1 4.16Å; H58-F82 HydrophobicContact CB-CZ 4.19Å; H58-F82 AromaticContact CG-CE1 3.78Å; H58-F82 AromaticContact ND1-CD1 3.57Å; H58-F82 AromaticContact ND1-CE1 3.53Å; P79-F82 HydrophobicContact CB-CE2 3.78Å; P79-F82 HydrophobicContact CB-CZ 3.76Å; P79-F82 HydrophobicContact CG-CE2 4.16Å; P79-F82 HydrophobicContact CG-CZ 4.17Å; P79-F82 WeakPolarHBondContact O-CE2 3.49Å; T80-F82 PolarHBondContact O-N 2.71Å; F82-F84 HydrophobicContact CB-CD1 3.9Å; F82-F84 HydrophobicContact CB-CD2 4.35Å; F82-F84 HydrophobicContact CB-CE1 3.46Å; F82-F84 VanDerWaalsContact CB-CE1 3.46Å; F82-F84 HydrophobicContact CB-CE2 3.94Å; F82-F84 HydrophobicContact CB-CG 4.32Å; F82-F84 HydrophobicContact CB-CZ 3.46Å; F82-F84 VanDerWaalsContact CB-CZ 3.46Å; F82-F84 AromaticContact CD1-CE1 3.53Å; F82-F84 HydrophobicContact CD1-CE1 3.53Å; F82-F84 AromaticContact CD1-CZ 3.65Å; F82-F84 HydrophobicContact CD1-CZ 3.65Å; F82-F84 HydrophobicContact CD2-CZ 4.07Å; F82-F84 HydrophobicContact CE1-CE1 4.46Å; F82-F84 HydrophobicContact CE1-CZ 4.39Å; F82-F84 AromaticContact CG-CE1 3.66Å; F82-F84 HydrophobicContact CG-CE1 3.66Å; F82-F84 HydrophobicContact CG-CE2 4.25Å; F82-F84 AromaticContact CG-CZ 3.45Å; F82-F84 HydrophobicContact CG-CZ 3.45Å; F82-F84 VanDerWaalsContact CG-CZ 3.45Å; F82-F84 PolarHBondContact O-N 2.66Å; F82-Q85 HydrophobicContact CB-CG 4.3Å; F82-Q85 PolarHBondContact O-N 3.17Å
83A68.9Low69.2Low106 Ų10695.1 Ų95.188%0.87650%0.495SS*.THydrogen-bonded Turntrans-67-8.2-177.500000114.5
84F71.1Confident66.9Low71 Ų7199.7 Ų99.731%0.31152%0.52SS..THydrogen-bonded Turntrans-103.11.3-178.457.6-100.1000113.9R8 N40 I41 F82R8-F84 HydrophobicContact CB-CD1 4.34Å; R8-F84 HydrophobicContact CB-CE1 3.93Å; N40-F84 WeakPolarHBondContact O-CE2 3.48Å; N40-F84 VanDerWaalsContact O-CZ 3.31Å; N40-F84 WeakPolarHBondContact O-CZ 3.26Å; I41-F84 WeakPolarHBondContact O-CZ 3.35Å; F82-F84 HydrophobicContact CB-CD1 3.9Å; F82-F84 HydrophobicContact CB-CD2 4.35Å; F82-F84 HydrophobicContact CB-CE1 3.46Å; F82-F84 VanDerWaalsContact CB-CE1 3.46Å; F82-F84 HydrophobicContact CB-CE2 3.94Å; F82-F84 HydrophobicContact CB-CG 4.32Å; F82-F84 HydrophobicContact CB-CZ 3.46Å; F82-F84 VanDerWaalsContact CB-CZ 3.46Å; F82-F84 AromaticContact CD1-CE1 3.53Å; F82-F84 HydrophobicContact CD1-CE1 3.53Å; F82-F84 AromaticContact CD1-CZ 3.65Å; F82-F84 HydrophobicContact CD1-CZ 3.65Å; F82-F84 HydrophobicContact CD2-CZ 4.07Å; F82-F84 HydrophobicContact CE1-CE1 4.46Å; F82-F84 HydrophobicContact CE1-CZ 4.39Å; F82-F84 AromaticContact CG-CE1 3.66Å; F82-F84 HydrophobicContact CG-CE1 3.66Å; F82-F84 HydrophobicContact CG-CE2 4.25Å; F82-F84 AromaticContact CG-CZ 3.45Å; F82-F84 HydrophobicContact CG-CZ 3.45Å; F82-F84 VanDerWaalsContact CG-CZ 3.45Å; F82-F84 PolarHBondContact O-N 2.66Å
85Q61.9Low64.4Low74 Ų74101.5 Ų101.535%0.34654%0.54SS..SBendtrans-95110.8172.9-63.5-172.911.900108.2N40 F82N40-Q85 PolarHBondContact O-NE2 3.05Å; F82-Q85 HydrophobicContact CB-CG 4.3Å; F82-Q85 PolarHBondContact O-N 3.17Å
86D47Very low62.2Low132 Ų132102.3 Ų102.371%0.70655%0.549SS*.  trans-56145.9166.1-81.1-56.4000109.5T88D86-T88 PolarHBondContact O-N 3.16Å
87P50.3Low60.4Low114 Ų114103.4 Ų103.474%0.7456%0.562SS**G310 helixtrans-58.9-3.1-173.4-23.832.8000116.3Q89P87-Q89 VanDerWaalsContact C-N 3.32Å; P87-Q89 PolarHBondContact O-N 2.95Å
88T43.5Very low57.5Low127 Ų127107.9 Ų107.978%0.77960%0.598SS**G310 helixtrans-79.21.1-166.2-11.60000115.6D86D86-T88 PolarHBondContact O-N 3.16Å
89Q47.4Very low54.8Low163 Ų163112 Ų11276%0.76263%0.628SS**G310 helixtrans-115.218.2-179.6-66.9-163.45.400115.8P87 V91P87-Q89 VanDerWaalsContact C-N 3.32Å; P87-Q89 PolarHBondContact O-N 2.95Å; Q89-V91 PolarHBondContact O-N 3.42Å
90Q47.4Very low52.2Low137 Ų137118.9 Ų118.964%0.6466%0.66SS**  trans-92.426.2174.7-73.2-161.283.100115.3
91V41.8Very low49.5Very low132 Ų132127.1 Ų127.180%0.869%0.686SS**  trans-128.382.6171.7-174.50000110Q89Q89-V91 PolarHBondContact O-N 3.42Å
92R50Low46.9Very low238 Ų238126.8 Ų126.890%0.89870%0.696SS**  trans-148.268.2157.2-56.7-170.7-170.4-131.7-2.3109.8
93E42.7Very low44.5Very low171 Ų171133.9 Ų133.980%0.79974%0.735SS**SBendtrans-118.6111.7157.5-174.7164.915500107.9
94N41.1Very low42.6Very low133 Ų133132.5 Ų132.571%0.71172%0.723SS**  trans58.9106.9161.8-57.8-46000119.7
95T37.8Very low40.8Very low142 Ų142134.5 Ų134.587%0.87175%0.746SS**  trans-168.8141.8131.8-61.90000109.5
96D38Very low39.4Very low148 Ų148136.3 Ų136.379%0.79177%0.767SS**  trans-54161-177.2-62.4-70.3000116.6
97P48.9Very low38.8Very low129 Ų129134 Ų13484%0.83876%0.761SS**  trans-90.4128.2-169.734.6-29.5000112.5
98A32.1Very low37.9Very low96 Ų96137 Ų13779%0.79377%0.765SS**  trans-133.9109.1167.300000110.9
99S35.3Very low37.2Very low108 Ų108138.7 Ų138.776%0.75576%0.762SS**  trans62.8127.8138.4-123.40000122.7
100E34.5Very low36.2Very low144 Ų144137.9 Ų137.967%0.67376%0.758SS**  trans74.5148.8145.8-49.2-140.498.400118.4
101R33.9Very low35.3Very low221 Ų221140.2 Ų140.283%0.83477%0.766SS**  cis175.6146-18176.9-172.3-63.5-982.5103.7
102G30.1Very low34.6Very low62 Ų62139.6 Ų139.664%0.63976%0.762SS**  trans115.9103.4166.500000112.7
103N30.9Very low33.5Very low164 Ų164134.9 Ų134.988%0.87776%0.755SS**  61.5138.986.2112.222.9000112
104A29Very low33.2Very low76 Ų76132.3 Ų132.363%0.62875%0.752SS**  cis-157.3151.611.500000110.9
105S32.6Very low32.4Very low113 Ų113133.9 Ų133.979%0.7976%0.756SS**  trans49.7116131.8-60.50000120.9
106S33.2Very low31.9Very low112 Ų112131.8 Ų131.878%0.78375%0.752SS**  96.4142.4102.3-140.90000111.1
107S34.3Very low31.2Very low83 Ų83128.2 Ų128.258%0.5875%0.75SS**  cis-165.8149.814.3-104.20000108
108Q30.8Very low30.2Very low177 Ų177127.6 Ų127.683%0.82776%0.756SS**  trans49.1142.3134.2-50.8177.6-8.200118.9
109K28.8Very low30Very low163 Ų163126.1 Ų126.171%0.70975%0.75SS**  173.215451.3-167.1173.3163.5176.20110
110E27.4Very low29.6Very low147 Ų147130.4 Ų130.469%0.68776%0.758SS**  trans67.6116.8155.7-117.7119.197.300119.6
111K28.6Very low29.3Very low185 Ų185130.3 Ų130.380%0.80476%0.763SS**  55.1115.264.2-138.4-177.3-171.1-86.70110.3
112V26.5Very low29.2Very low119 Ų119125 Ų12572%0.72176%0.76SS**  179.9146.783.8160.30000109
113L26.5Very low29.7Very low140 Ų140127.5 Ų127.573%0.73376%0.764SS**  trans-96.4153163.8-154101.8000109.2E115L113-E115 HydrophobicContact CD2-CB 4.43Å; L113-E115 HydrophobicContact CD2-CG 3.94Å
114P36.4Very low29.5Very low116 Ų116122.8 Ų122.875%0.75376%0.755SS**  -142.4143.5105.827.8-8.6000112.1
115E25.7Very low29.9Very low167 Ų167130.4 Ų130.478%0.7877%0.767SS**  73131.366.8-93.6-85.397.500116.8L113L113-E115 HydrophobicContact CD2-CB 4.43Å; L113-E115 HydrophobicContact CD2-CG 3.94Å
116A27Very low29.8Very low97 Ų97133.6 Ų133.680%0.80277%0.767SS**  trans66.6140.6166.300000119
117G23.4Very low30Very low73 Ų73137.2 Ų137.275%0.75377%0.774SS**  cis170.2175.14.900000110.4
118A28.4Very low29.7Very low116 Ų116140.5 Ų140.596%0.95979%0.785SS**  trans65.7145.117100000117.2
119G27.5Very low29.6Very low65 Ų65139.1 Ų139.167%0.6779%0.789SS**  cis178.4152.34.100000107.1
120E25.8Very low29.6Very low198 Ų198135.3 Ų135.393%0.92579%0.788SS**  trans34.5124.7150-49.5-172.8117.900120.4
121D28Very low29.6Very low142 Ų142135.3 Ų135.376%0.75979%0.791SS**  179.4135.8110-171.351.6000110.5
122S33.3Very low29.6Very low110 Ų110133.7 Ų133.777%0.76979%0.787SS**  trans-114143.7164-71.40000107.3
123P40.2Very low29.6Very low114 Ų114134.8 Ų134.874%0.7478%0.784SS**  trans-136.4131132.114.76.5000113
124G26.8Very low29.9Very low66 Ų66135.9 Ų135.968%0.6879%0.79SS**  trans-75.5160.6175.300000114.5
125R37.8Very low29.5Very low236 Ų236138.4 Ų138.489%0.89179%0.792SS**  trans-143.999.2155.6-70.3-165.9173.8-172.2-2.3111.2
126K30.1Very low29.6Very low179 Ų179138.6 Ų138.678%0.77880%0.797SS**  trans-1.2129.9131.441.2171.3-179.1-78.70117.1
127M36.4Very low30.2Very low188 Ų188139.3 Ų139.393%0.92679%0.794SS**  -165127.8124.243.5-168.416200111
128D28.8Very low30.8Very low153 Ų153141.9 Ų141.982%0.81880%0.797SS**  trans-66.3146.2172.8-56.5-88.4000112
129T29.3Very low30.8Very low148 Ų148144.2 Ų144.291%0.90879%0.793SS**  trans-151.4119.6145-66.90000107.9
130A27.9Very low30.9Very low83 Ų83145.9 Ų145.969%0.68680%0.801SS**  trans-85.8164.2-177.400000112.4
131L26.9Very low31Very low146 Ų146145.7 Ų145.776%0.76480%0.8SS**  trans65.8116.4154.7-111.9137.6000117.3
132E28.8Very low31.1Very low151 Ų151142.4 Ų142.471%0.70680%0.8SS**  -173.6134.793.3-154.8119.2107.900112.8
133E26.4Very low31.3Very low142 Ų142143 Ų14366%0.66480%0.801SS**  trans46.6122149.9-85.4171.488.500125
134L33.3Very low30.9Very low164 Ų164143.6 Ų143.686%0.85980%0.802SS**  trans-54.4134.8152.7-63.5160000111.5
135Q28.3Very low31.4Very low169 Ų169150.2 Ų150.279%0.7981%0.812SS**  trans-161.2117144.3-102150.755.800111.4
136L27.5Very low31.1Very low170 Ų170147.2 Ų147.289%0.8981%0.808SS**  trans-120166.9151.8-73.4171.6000105.9
137P40.5Very low31.1Very low113 Ų113145.1 Ų145.173%0.73481%0.81SS**  -115.8-168.2-62.835-17.8000110.1
138P34Very low30.9Very low127 Ų127143.1 Ų143.183%0.82580%0.803SS**  -144.6156.911531.7-13.6000116
139N29.9Very low31.1Very low164 Ų164141.5 Ų141.588%0.87780%0.8SS**  trans-51.9144166.7-90.1-63.9000112.7
140A28.9Very low30.8Very low100 Ų100146 Ų14683%0.82680%0.801SS**  trans-153.6143141.500000110.9
141E28.5Very low31.2Very low194 Ų194152.9 Ų152.991%0.90781%0.809SS**  trans-74.8136.3-169.1-58.9167.3108.400113.4
142G29.1Very low31.8Very low73 Ų73151.7 Ų151.775%0.75381%0.81SS**  trans53.4179.3153.200000119.7
143P38Very low31.8Very low122 Ų122153.1 Ų153.179%0.79282%0.817SS**  cis-127.3154.4-2.531.4-11.5000115.4
144V32.3Very low32.1Very low128 Ų128150.9 Ų150.978%0.77682%0.823SS**  trans-7.3120.1151.6-175.20000116.3Q146V144-Q146 HydrophobicContact CG1-CG 4.26Å
145K37.1Very low32.1Very low204 Ų204149.8 Ų149.889%0.88782%0.823SS**  trans-120.3120152.3-81-175.2179.9179.90110.5
146Q30.9Very low32.5Very low174 Ų174150.5 Ų150.581%0.81383%0.826SS**  trans-66.7128.3177.3-55175.645.100108.9V144V144-Q146 HydrophobicContact CG1-CG 4.26Å
147V30.9Very low32.7Very low135 Ų135148.7 Ų148.782%0.81882%0.822SS**  trans-104.2110.5166.3173.20000106.8
148L30.8Very low32.4Very low146 Ų146150 Ų15076%0.76483%0.828SS**PPolyproline II helixtrans-66.5152.7174.8-85155.6000111.4
149P33Very low32.3Very low119 Ų119147.6 Ų147.677%0.77383%0.826SS**PPolyproline II helixtrans-75.1140.8-177.8-7.725.1000111.8R151P149-R151 PolarHBondContact O-N 3.35Å
150W23.7Very low32.6Very low243 Ų243150.6 Ų150.692%0.9283%0.825SS**PPolyproline II helixtrans-61.5127.3177.9-75.862.6000112
151R36.8Very low33.3Very low227 Ų227151.7 Ų151.786%0.85782%0.824SS**PPolyproline II helixtrans-90.7126.7168179.1-168.8-88.5-162.8-4.7108.6P149P149-R151 PolarHBondContact O-N 3.35Å
152P39Very low33.8Very low121 Ų121146.7 Ų146.779%0.78682%0.815SS**PPolyproline II helixtrans-77.5127.4167.8-14.930.7000110.6
153Q28.5Very low34Very low181 Ų181146.7 Ų146.785%0.84682%0.815SS**PPolyproline II helixtrans-71138.5173.4-72.9-179.121.900110.8
154A33.2Very low34.4Very low95 Ų95147.2 Ų147.279%0.78582%0.818SS**PPolyproline II helixtrans-70.1133.8166.300000109.9
155T32.3Very low35.1Very low140 Ų140146.3 Ų146.386%0.85982%0.824SS**  trans-123105.5162.50.20000107.2
156E37.4Very low35.2Very low184 Ų184139.7 Ų139.786%0.8681%0.814SS**  trans-83.8121.8168-73.1-101138.500108.6
157V32.3Very low36.1Very low133 Ų133140.3 Ų140.381%0.80682%0.822SS**  trans-150.1104.9153.3176.50000110.1
158V33.4Very low36.8Very low141 Ų141145.6 Ų145.686%0.85583%0.827SS**  trans60.8124.3134.2-174.60000121.6
159G31.7Very low37.6Very low76 Ų76149.6 Ų149.678%0.78483%0.832SS**  trans114.1100.913100000119.7
160R36.9Very low38.1Very low227 Ų227149.2 Ų149.286%0.85783%0.83SS**  trans-69.8168.8173.2-155159171.2-111.1-1.9111.4
161P44.5Very low39.2Very low123 Ų123143.4 Ų143.480%0.79982%0.824SS**  cis-149.5-171.434.342.5-17.4000120.2
162A37.4Very low39.6Very low88 Ų88137.3 Ų137.373%0.72782%0.816SS**  trans-92.6157.8-152.400000117.3
163G34.4Very low40Very low73 Ų73141.5 Ų141.575%0.75382%0.822SS**  trans122.5157.5145.300000116.2
164P45.6Very low41.1Very low133 Ų133140.1 Ų140.186%0.86482%0.815SS**  cis-123.9-180-27.236.7-19.4000113.2
165A47.2Very low41.7Very low109 Ų109140.9 Ų140.990%0.90181%0.812SS**  trans-53.7131.2-174.800000115.4
166G38.9Very low42.6Very low65 Ų65138.2 Ų138.267%0.6780%0.799SS**  trans-139116167.500000110.2R168G166-R168 PolarHBondContact O-N 3.37Å
167L50.3Low43.4Very low188 Ų188136.1 Ų136.198%0.98479%0.794SS**  trans-32.1106.2179.2-73.8143000115
168R44.5Very low44.8Very low245 Ų245137 Ų13793%0.92579%0.789SS**  trans-91108163.9-77.6-86.9-168.4170.21.7109G166G166-R168 PolarHBondContact O-N 3.37Å
169R47.7Very low46.1Very low230 Ų230134 Ų13487%0.86877%0.774SS**  trans-34.2139.3164.4-156.6174.6-159171.94.3112
170P44.9Very low47.4Very low112 Ų112137.3 Ų137.373%0.72776%0.764SS**PPolyproline II helixtrans-61.9135.7-179.724.8-31.6000109.8S172P170-S172 PolarHBondContact O-N 3.18Å
171P46.7Very low48.6Very low121 Ų121130.7 Ų130.779%0.78676%0.758SS**PPolyproline II helixtrans-63.5128.2176.125.2-30000108.6K173P171-K173 PolarHBondContact O-N 3.36Å
172S44.4Very low49.4Very low99 Ų99133 Ų13369%0.69276%0.763SS**PPolyproline II helixtrans-46.8121.6171.949.30000110P170 Q174P170-S172 PolarHBondContact O-N 3.18Å; S172-Q174 PolarHBondContact O-N 3.08Å
173K47.7Very low51Low209 Ų209132 Ų13291%0.90975%0.745SS**  trans-65.774.9167.3-67.8-179.1179.4-178.50109.2P171P171-K173 PolarHBondContact O-N 3.36Å
174Q50.8Low53.5Low151 Ų151133.4 Ų133.471%0.70674%0.735SS**  trans-77.5121.7158.5-77.9-86.9-57.900106S172 S176S172-Q174 PolarHBondContact O-N 3.08Å; Q174-S176 VanDerWaalsContact C-N 3.25Å; Q174-S176 PolarHBondContact O-N 3.3Å
175P46.6Very low55.6Low111 Ų111133.8 Ų133.872%0.72173%0.729SS**  trans-69.494.4173.129.5-29.2000106.4D177P175-D177 PolarHBondContact O-N 3.06Å
176S51.9Low57.8Low84 Ų84133 Ų13359%0.58771%0.71SS**  trans-60.5123.1164.5-64.90000106.5Q174 H178 S179Q174-S176 VanDerWaalsContact C-N 3.25Å; Q174-S176 PolarHBondContact O-N 3.3Å; S176-H178 PolarHBondContact O-N 3.24Å; S176-S179 PolarHBondContact O-N 3.12Å
177D54.4Low60.3Low141 Ų141132.5 Ų132.575%0.75470%0.696SS**THydrogen-bonded Turntrans-6421.7175.7-81.4-36.1000113.7P175P175-D177 PolarHBondContact O-N 3.06Å
178H60.4Low62.2Low152 Ų152126.8 Ų126.870%0.70467%0.666SS**THydrogen-bonded Turntrans-103.719.2175.4-52.6-44000112.3S176 Y180 A181S176-H178 PolarHBondContact O-N 3.24Å; H178-Y180 PolarHBondContact O-N 3.18Å; H178-A181 PolarHBondContact O-N 3.3Å
179S60.2Low64.5Low77 Ų77120.9 Ų120.954%0.53865%0.647SS.*THydrogen-bonded Turntrans-63.212.1171.5-179.30000114.9S176S176-S179 PolarHBondContact O-N 3.12Å
180Y59.8Low66.7Low145 Ų145116.7 Ų116.757%0.56964%0.635SS**THydrogen-bonded Turntrans-91-20.3173.8-65.6-80.2000112.6H178 L182 L188H178-Y180 PolarHBondContact O-N 3.18Å; Y180-L182 VanDerWaalsContact C-N 3.33Å; Y180-L182 PolarHBondContact O-N 3.09Å; Y180-L188 HydrophobicContact CD1-CD1 3.91Å
181A62.8Low69.1Low89 Ų89115.4 Ų115.474%0.73662%0.618SS**THydrogen-bonded Turntrans-77.2-13.3-173.700000114.6H178H178-A181 PolarHBondContact O-N 3.3Å
182L60.5Low71.4Confident171 Ų171114.4 Ų114.490%0.89561%0.606SS**THydrogen-bonded Turntrans-118.57.1-174.3-61.5178.5000114.1Y180Y180-L182 VanDerWaalsContact C-N 3.33Å; Y180-L182 PolarHBondContact O-N 3.09Å
183L71.6Confident73.9Confident67 Ų67116 Ų11635%0.35160%0.6SS.*SBendtrans-89.3130.1177.8-68.3174000110.1K191L183-K191 HydrophobicContact CD1-CD 4.45Å
184D86.7Confident76.3Confident102 Ų102111.8 Ų111.855%0.54559%0.587SS.*  trans-54.2148.5167.8173.750000110.9D186 S187 L188D184-D186 PolarHBondContact O-N 2.84Å; D184-D186 PolarHBondContact OD2-N 3.26Å; D184-S187 WeakPolarHBondContact O-CA 3.46Å; D184-S187 WeakPolarHBondContact O-CB 3.49Å; D184-S187 PolarHBondContact O-N 2.76Å; D184-L188 PolarHBondContact O-N 3.45Å
185L89.9Confident78.5Confident141 Ų141107.5 Ų107.574%0.73857%0.571SS**Hα-helixtrans-59.1-36.8-170.5-152.879.7000111.7L188 K189L185-L188 PolarHBondContact O-N 2.92Å; L185-K189 WeakPolarHBondContact O-CB 3.41Å; L185-K189 PolarHBondContact O-N 3.41Å
186D92Very high80.9Confident93 Ų93106.8 Ų106.850%0.49756%0.561SS.*Hα-helixtrans-69.1-35.2176.5-80.5-57000112.6D184 K189 K190D184-D186 PolarHBondContact O-N 2.84Å; D184-D186 PolarHBondContact OD2-N 3.26Å; D186-K189 PolarHBondContact O-N 2.88Å; D186-K190 WeakPolarHBondContact O-CB 3.32Å; D186-K190 VanDerWaalsContact O-CG 3.3Å; D186-K190 WeakPolarHBondContact O-CG 3.41Å; D186-K190 PolarHBondContact O-N 2.77Å
187S91.4Very high83.1Confident55 Ų55110.2 Ų110.239%0.38557%0.565SS.*Hα-helixtrans-66.8-41.6174.4-65.10000111.2D184 K190 K191D184-S187 WeakPolarHBondContact O-CA 3.46Å; D184-S187 WeakPolarHBondContact O-CB 3.49Å; D184-S187 PolarHBondContact O-N 2.76Å; S187-K190 PolarHBondContact O-N 3.2Å; S187-K191 WeakPolarHBondContact O-CB 3.37Å; S187-K191 PolarHBondContact O-N 2.75Å
188L90.8Very high85.2Confident68 Ų68109 Ų10936%0.35656%0.555SS.*Hα-helixtrans-65-42.6175.3-171.268.9000111.4Y180 D184 L185 K191 L192Y180-L188 HydrophobicContact CD1-CD1 3.91Å; D184-L188 PolarHBondContact O-N 3.45Å; L185-L188 PolarHBondContact O-N 2.92Å; L188-K191 PolarHBondContact O-N 2.89Å; L188-L192 WeakPolarHBondContact O-CB 3.36Å; L188-L192 PolarHBondContact O-N 3.25Å
189K92.7Very high86.9Confident120 Ų120105 Ų10552%0.52254%0.539SS..Hα-helixtrans-59.2-49.1175.8-176.6178.8177.9-177.10111.3L185 D186 K191 L192 F193L185-K189 WeakPolarHBondContact O-CB 3.41Å; L185-K189 PolarHBondContact O-N 3.41Å; D186-K189 PolarHBondContact O-N 2.88Å; K189-K191 PolarHBondContact O-N 3.48Å; K189-L192 WeakPolarHBondContact O-CB 3.35Å; K189-L192 PolarHBondContact O-N 2.91Å; K189-F193 HydrophobicContact CG-CD2 3.96Å; K189-F193 HydrophobicContact CG-CE2 3.85Å; K189-F193 VanDerWaalsContact O-CD2 3.25Å; K189-F193 WeakPolarHBondContact O-CD2 3.3Å; K189-F193 PolarHBondContact O-N 3.21Å
190K94.9Very high88.7Confident142 Ų142106.1 Ų106.162%0.61754%0.536SS*.Hα-helixtrans-59.6-47.4176.6-74170.9-176.1172.40111.4D186 S187 L192 F193 L194D186-K190 WeakPolarHBondContact O-CB 3.32Å; D186-K190 VanDerWaalsContact O-CG 3.3Å; D186-K190 WeakPolarHBondContact O-CG 3.41Å; D186-K190 PolarHBondContact O-N 2.77Å; S187-K190 PolarHBondContact O-N 3.2Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 3.01Å; K190-F193 PolarHBondContact O-N 3.45Å; K190-L194 WeakPolarHBondContact O-CG 3.34Å; K190-L194 PolarHBondContact O-N 3.33Å
191K94.5Very high90.5Very high85 Ų85105.8 Ų105.837%0.3754%0.537SS..Hα-helixtrans-59.4-45.2177.7-169.9174-176.3179.20111.2L183 S187 L188 K189 F193 L194 T195L183-K191 HydrophobicContact CD1-CD 4.45Å; S187-K191 WeakPolarHBondContact O-CB 3.37Å; S187-K191 PolarHBondContact O-N 2.75Å; L188-K191 PolarHBondContact O-N 2.89Å; K189-K191 PolarHBondContact O-N 3.48Å; K191-F193 PolarHBondContact O-N 3.49Å; K191-L194 PolarHBondContact O-N 3.36Å; K191-T195 WeakPolarHBondContact O-CB 3.41Å; K191-T195 PolarHBondContact O-N 3.28Å; K191-T195 PolarHBondContact O-OG1 3.22Å
192L95.3Very high92.2Very high101 Ų101105.4 Ų105.453%0.52952%0.522SS..Hα-helixtrans-57.5-50.1176.5178.162.9000111.4L188 K189 K190 L194 T195 L196L188-L192 WeakPolarHBondContact O-CB 3.36Å; L188-L192 PolarHBondContact O-N 3.25Å; K189-L192 WeakPolarHBondContact O-CB 3.35Å; K189-L192 PolarHBondContact O-N 2.91Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 3.01Å; L192-L194 PolarHBondContact O-N 2.91Å; L192-T195 PolarHBondContact O-N 2.96Å; L192-L196 HydrophobicContact CD1-CD1 4.11Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.24Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.34Å
193F97.8Very high94Very high131 Ų131105.9 Ų105.958%0.57551%0.512SS*.Hα-helixtrans-60.7-43.7178.9-87.2-72.9000112.7K189 K190 K191 L196 K197K189-F193 HydrophobicContact CG-CD2 3.96Å; K189-F193 HydrophobicContact CG-CE2 3.85Å; K189-F193 VanDerWaalsContact O-CD2 3.25Å; K189-F193 WeakPolarHBondContact O-CD2 3.3Å; K189-F193 PolarHBondContact O-N 3.21Å; K190-F193 PolarHBondContact O-N 3.45Å; K191-F193 PolarHBondContact O-N 3.49Å; F193-L196 PolarHBondContact O-N 2.99Å; F193-K197 PolarHBondContact O-N 2.83Å
194L97.3Very high95.2Very high121 Ų121108.5 Ų108.563%0.63452%0.521SS*.Hα-helixtrans-62.1-47.4176.9-69.1174.6000111.3K190 K191 L192 L196 K197 E198K190-L194 WeakPolarHBondContact O-CG 3.34Å; K190-L194 PolarHBondContact O-N 3.33Å; K191-L194 PolarHBondContact O-N 3.36Å; L192-L194 PolarHBondContact O-N 2.91Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.24Å; L194-K197 PolarHBondContact O-N 3.23Å; L194-E198 PolarHBondContact O-N 3.14Å
195T96Very high95.8Very high61 Ų61110.5 Ų110.537%0.37452%0.521SS..Hα-helixtrans-62.5-37.9177.6-60.20000111.9K191 L192 E198 N199K191-T195 WeakPolarHBondContact O-CB 3.41Å; K191-T195 PolarHBondContact O-N 3.28Å; K191-T195 PolarHBondContact O-OG1 3.22Å; L192-T195 PolarHBondContact O-N 2.96Å; T195-E198 PolarHBondContact O-N 2.98Å; T195-N199 WeakPolarHBondContact O-CB 3.43Å; T195-N199 PolarHBondContact O-N 3.32Å; T195-N199 PolarHBondContact O-ND2 3.43Å
196L97.8Very high96.2Very high97 Ų97107.5 Ų107.551%0.50851%0.505SS..Hα-helixtrans-65.3-44175.6-73.6175.3000111.8L192 F193 L194 E198 N199 E200L192-L196 HydrophobicContact CD1-CD1 4.11Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.24Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.34Å; F193-L196 PolarHBondContact O-N 2.99Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 3.24Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-E198 PolarHBondContact O-N 2.74Å; L196-N199 WeakPolarHBondContact O-CB 3.34Å; L196-N199 PolarHBondContact O-N 2.94Å; L196-E200 PolarHBondContact O-N 2.87Å
197K98.3Very high96.4Very high156 Ų156109.8 Ų109.868%0.67851%0.513SS*.Hα-helixtrans-61.6-41.8176.3-172.8176.9-177.7177.20111.7F193 L194 E200 K201F193-K197 PolarHBondContact O-N 2.83Å; L194-K197 PolarHBondContact O-N 3.23Å; K197-E200 PolarHBondContact O-N 3.32Å; K197-K201 PolarHBondContact O-N 3.31Å
198E97.8Very high96.7Very high116 Ų116109.8 Ų109.854%0.54252%0.516SS..Hα-helixtrans-64.2-44174.3-175.5171.7-16100111.8L194 T195 L196 E200 K201 L202L194-E198 PolarHBondContact O-N 3.14Å; T195-E198 PolarHBondContact O-N 2.98Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-E198 PolarHBondContact O-N 2.74Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.33Å; E198-K201 WeakPolarHBondContact O-CB 3.37Å; E198-K201 PolarHBondContact O-N 3.12Å; E198-K201 VanDerWaalsContact O-N 3.13Å; E198-L202 HydrophobicContact CG-CD1 4.17Å; E198-L202 HydrophobicContact CG-CG 4.38Å; E198-L202 WeakPolarHBondContact O-CG 3.39Å; E198-L202 PolarHBondContact O-N 2.93Å
199N96.6Very high97.1Very high68 Ų68111.8 Ų111.836%0.36452%0.524SS..Hα-helixtrans-59-41.4175.4-92.2-84.4000112.2T195 L196 L202 R203T195-N199 WeakPolarHBondContact O-CB 3.43Å; T195-N199 PolarHBondContact O-N 3.32Å; T195-N199 PolarHBondContact O-ND2 3.43Å; L196-N199 WeakPolarHBondContact O-CB 3.34Å; L196-N199 PolarHBondContact O-N 2.94Å; N199-L202 PolarHBondContact O-N 3.32Å; N199-R203 WeakPolarHBondContact O-CB 3.4Å; N199-R203 VanDerWaalsContact O-CG 3.24Å; N199-R203 WeakPolarHBondContact O-CG 3.46Å; N199-R203 PolarHBondContact O-N 3.31Å
200E98.2Very high97.3Very high100 Ų100113.5 Ų113.547%0.46753%0.527SS..Hα-helixtrans-61.5-45.7174.7-166.6-164.6150.100111.2L196 K197 E198 L202 R203 K204L196-E200 PolarHBondContact O-N 2.87Å; K197-E200 PolarHBondContact O-N 3.32Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.33Å; E200-L202 VanDerWaalsContact C-N 3.35Å; E200-L202 PolarHBondContact O-N 3.4Å; E200-R203 PolarHBondContact O-N 2.88Å; E200-K204 WeakPolarHBondContact O-CG 3.46Å; E200-K204 PolarHBondContact O-N 2.92Å; E200-K204 WeakPolarHBondContact OE1-CE 3.44Å; E200-K204 IonicContact OE1-NZ 2.66Å; E200-K204 PolarHBondContact OE1-NZ 3.17Å
201K98.4Very high97.4Very high137 Ų137110.4 Ų110.460%0.59652%0.517SS*.Hα-helixtrans-58.8-45.6175.5-177.4-178.2179.1-178.40111.5K197 E198 K204 R205K197-K201 PolarHBondContact O-N 3.31Å; E198-K201 WeakPolarHBondContact O-CB 3.37Å; E198-K201 PolarHBondContact O-N 3.12Å; E198-K201 VanDerWaalsContact O-N 3.13Å; K201-K204 PolarHBondContact O-N 2.9Å; K201-R205 WeakPolarHBondContact O-CG 3.4Å; K201-R205 PolarHBondContact O-N 3.27Å
202L98.3Very high97.6Very high81 Ų81110.4 Ų110.442%0.42452%0.524SS..Hα-helixtrans-63.7-42.3177.9-69.7174.2000111.7E198 N199 E200 K204 R205 L206E198-L202 HydrophobicContact CG-CD1 4.17Å; E198-L202 HydrophobicContact CG-CG 4.38Å; E198-L202 WeakPolarHBondContact O-CG 3.39Å; E198-L202 PolarHBondContact O-N 2.93Å; N199-L202 PolarHBondContact O-N 3.32Å; E200-L202 VanDerWaalsContact C-N 3.35Å; E200-L202 PolarHBondContact O-N 3.4Å; L202-K204 PolarHBondContact O-N 2.9Å; L202-R205 PolarHBondContact O-N 3.25Å; L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 2.88Å
203R97.1Very high97.7Very high181 Ų181111 Ų11168%0.68353%0.525SS*.Hα-helixtrans-59.7-44.7175-75172.7-179.2-177.51.5111.8N199 E200 L206 Q207N199-R203 WeakPolarHBondContact O-CB 3.4Å; N199-R203 VanDerWaalsContact O-CG 3.24Å; N199-R203 WeakPolarHBondContact O-CG 3.46Å; N199-R203 PolarHBondContact O-N 3.31Å; E200-R203 PolarHBondContact O-N 2.88Å; R203-L206 PolarHBondContact O-N 3.49Å; R203-Q207 WeakPolarHBondContact O-CB 3.43Å; R203-Q207 PolarHBondContact O-N 3.35Å
204K98.1Very high97.6Very high123 Ų123110.5 Ų110.554%0.53552%0.524SS..Hα-helixtrans-61.5-45.2175.9-72179.2-176171.40111.8E200 K201 L202 L206 Q207 A208E200-K204 WeakPolarHBondContact O-CG 3.46Å; E200-K204 PolarHBondContact O-N 2.92Å; E200-K204 WeakPolarHBondContact OE1-CE 3.44Å; E200-K204 IonicContact OE1-NZ 2.66Å; E200-K204 PolarHBondContact OE1-NZ 3.17Å; K201-K204 PolarHBondContact O-N 2.9Å; L202-K204 PolarHBondContact O-N 2.9Å; K204-L206 PolarHBondContact O-N 2.89Å; K204-Q207 PolarHBondContact O-N 3.47Å; K204-A208 PolarHBondContact O-N 3.47Å
205R98.2Very high97.6Very high143 Ų143112.1 Ų112.154%0.5452%0.522SS..Hα-helixtrans-60-45.5175.9-72.3176.671-174.94.3111.8K201 L202 Q207 A208 Q209K201-R205 WeakPolarHBondContact O-CG 3.4Å; K201-R205 PolarHBondContact O-N 3.27Å; L202-R205 PolarHBondContact O-N 3.25Å; R205-Q207 VanDerWaalsContact C-N 3.34Å; R205-Q207 PolarHBondContact O-N 3.29Å; R205-A208 PolarHBondContact O-N 3.4Å; R205-Q209 WeakPolarHBondContact O-CG 3.46Å; R205-Q209 PolarHBondContact O-N 2.95Å
206L98.3Very high97.6Very high79 Ų79114.3 Ų114.341%0.41453%0.529SS..Hα-helixtrans-63.7-40.7178.5-174.265.3000111.6L202 R203 K204 Q209 R210L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 2.88Å; R203-L206 PolarHBondContact O-N 3.49Å; K204-L206 PolarHBondContact O-N 2.89Å; L206-Q209 PolarHBondContact O-N 3.3Å; L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.33Å; L206-R210 PolarHBondContact O-N 3.48Å
207Q97.3Very high97.5Very high140 Ų140112.1 Ų112.165%0.65452%0.522SS*.Hα-helixtrans-62.5-43.8175.5-173.31797.700111.7R203 K204 R205 R210 L211R203-Q207 WeakPolarHBondContact O-CB 3.43Å; R203-Q207 PolarHBondContact O-N 3.35Å; K204-Q207 PolarHBondContact O-N 3.47Å; R205-Q207 VanDerWaalsContact C-N 3.34Å; R205-Q207 PolarHBondContact O-N 3.29Å; Q207-R210 PolarHBondContact O-N 3.3Å; Q207-L211 PolarHBondContact O-N 3.42Å
208A98Very high97.2Very high56 Ų56107.1 Ų107.146%0.46351%0.507SS..Hα-helixtrans-61.6-46.1175.800000111.7K204 R205 R210 L211 V212K204-A208 PolarHBondContact O-N 3.47Å; R205-A208 PolarHBondContact O-N 3.4Å; A208-R210 VanDerWaalsContact C-N 3.35Å; A208-R210 PolarHBondContact O-N 3.02Å; A208-L211 PolarHBondContact O-N 3Å; A208-V212 WeakPolarHBondContact O-CG2 3.37Å; A208-V212 PolarHBondContact O-N 3.4Å
209Q97.7Very high97Very high110 Ų110110 Ų11051%0.51451%0.513SS..Hα-helixtrans-59.9-43.1175.8-75.2-179.9-14.300112.2R205 L206 L211 V212 M213R205-Q209 WeakPolarHBondContact O-CG 3.46Å; R205-Q209 PolarHBondContact O-N 2.95Å; L206-Q209 PolarHBondContact O-N 3.3Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.45Å; Q209-V212 PolarHBondContact O-N 2.96Å; Q209-M213 WeakPolarHBondContact O-CG 3.5Å; Q209-M213 PolarHBondContact O-N 3.33Å
210R97.3Very high96.9Very high156 Ų156111.9 Ų111.959%0.58952%0.522SS*.Hα-helixtrans-59-42.5175.1-74.3173.5-177.9-1751.4111.9L206 Q207 A208 M213 Q214L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.33Å; L206-R210 PolarHBondContact O-N 3.48Å; Q207-R210 PolarHBondContact O-N 3.3Å; A208-R210 VanDerWaalsContact C-N 3.35Å; A208-R210 PolarHBondContact O-N 3.02Å; R210-M213 HydrophobicContact CG-CE 4.18Å; R210-M213 PolarHBondContact O-N 3.18Å; R210-Q214 WeakPolarHBondContact O-CB 3.4Å; R210-Q214 PolarHBondContact O-N 2.89Å
211L97.9Very high96.5Very high76 Ų76114.3 Ų114.340%0.39853%0.527SS..Hα-helixtrans-64.9-40.8177.7-175.264.1000111.9Q207 A208 Q209 Q214 R215Q207-L211 PolarHBondContact O-N 3.42Å; A208-L211 PolarHBondContact O-N 3Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.45Å; L211-Q214 PolarHBondContact O-N 2.85Å; L211-R215 WeakPolarHBondContact O-CG 3.46Å; L211-R215 PolarHBondContact O-N 3.46Å
212V97.9Very high96Very high86 Ų86110.4 Ų110.452%0.52152%0.52SS..Hα-helixtrans-61.7-50.2174.8173.30000110.5A208 Q209 Q214 R215 M216A208-V212 WeakPolarHBondContact O-CG2 3.37Å; A208-V212 PolarHBondContact O-N 3.4Å; Q209-V212 PolarHBondContact O-N 2.96Å; V212-Q214 VanDerWaalsContact C-N 3.26Å; V212-Q214 PolarHBondContact O-N 3.41Å; V212-R215 PolarHBondContact O-N 2.89Å; V212-M216 HydrophobicContact CG1-CG 4.4Å; V212-M216 WeakPolarHBondContact O-CG 3.35Å; V212-M216 PolarHBondContact O-N 2.99Å
213M96.9Very high95.2Very high113 Ų113110.5 Ų110.556%0.55753%0.527SS*.Hα-helixtrans-58.7-39.1176.7-70.6-172.8-66.300112Q209 R210 M216 S217Q209-M213 WeakPolarHBondContact O-CG 3.5Å; Q209-M213 PolarHBondContact O-N 3.33Å; R210-M213 HydrophobicContact CG-CE 4.18Å; R210-M213 PolarHBondContact O-N 3.18Å; M213-M216 PolarHBondContact O-N 3.47Å; M213-S217 WeakPolarHBondContact O-CB 3.26Å; M213-S217 PolarHBondContact O-N 3.4Å; M213-S217 PolarHBondContact O-OG 3.36Å
214Q96.6Very high94.4Very high120 Ų120109.7 Ų109.756%0.56153%0.528SS*.Hα-helixtrans-64.4-45.5176.4-171.6-177.525.700111.7R210 L211 V212 S217 S218R210-Q214 WeakPolarHBondContact O-CB 3.4Å; R210-Q214 PolarHBondContact O-N 2.89Å; L211-Q214 PolarHBondContact O-N 2.85Å; V212-Q214 VanDerWaalsContact C-N 3.26Å; V212-Q214 PolarHBondContact O-N 3.41Å; Q214-S217 PolarHBondContact O-N 3.36Å; Q214-S218 PolarHBondContact O-N 3.22Å; Q214-S218 PolarHBondContact O-OG 2.86Å; Q214-S218 VanDerWaalsContact O-OG 3.12Å
215R97.4Very high93.1Very high156 Ų156105.7 Ų105.759%0.58952%0.523SS*.Hα-helixtrans-61.7-45.6176.2-74175.7-180179.80111.6L211 V212 S217 S218 R219L211-R215 WeakPolarHBondContact O-CG 3.46Å; L211-R215 PolarHBondContact O-N 3.46Å; V212-R215 PolarHBondContact O-N 2.89Å; R215-S217 VanDerWaalsContact C-N 3.34Å; R215-S217 PolarHBondContact O-N 3.37Å; R215-S218 PolarHBondContact O-N 3.46Å; R215-R219 WeakPolarHBondContact O-CG 3.25Å; R215-R219 PolarHBondContact O-N 2.84Å
216M96.4Very high91.2Very high106 Ų106105.6 Ų105.652%0.52253%0.528SS..Hα-helixtrans-60-45.2175.6-69-56.6-68.500111.2V212 M213 S218 R219 L220V212-M216 HydrophobicContact CG1-CG 4.4Å; V212-M216 WeakPolarHBondContact O-CG 3.35Å; V212-M216 PolarHBondContact O-N 2.99Å; M213-M216 PolarHBondContact O-N 3.47Å; M216-S218 VanDerWaalsContact C-N 3.33Å; M216-S218 PolarHBondContact O-N 2.97Å; M216-R219 PolarHBondContact O-N 3.32Å; M216-L220 WeakPolarHBondContact O-CG 3.35Å; M216-L220 PolarHBondContact O-N 2.92Å
217S93.9Very high89.4Confident51 Ų51111.5 Ų111.536%0.35755%0.545SS..Hα-helixtrans-61.9-39.9176.8-58.80000112.3M213 Q214 R215 L220 R221M213-S217 WeakPolarHBondContact O-CB 3.26Å; M213-S217 PolarHBondContact O-N 3.4Å; M213-S217 PolarHBondContact O-OG 3.36Å; Q214-S217 PolarHBondContact O-N 3.36Å; R215-S217 VanDerWaalsContact C-N 3.34Å; R215-S217 PolarHBondContact O-N 3.37Å; S217-L220 PolarHBondContact O-N 3.36Å; S217-R221 WeakPolarHBondContact O-CG 3.1Å; S217-R221 PolarHBondContact O-N 2.99Å
218S92.9Very high87.5Confident52 Ų52107.1 Ų107.136%0.36454%0.537SS..Hα-helixtrans-64-42.6174.7-64.40000112.1Q214 R215 M216 R221 A222Q214-S218 PolarHBondContact O-N 3.22Å; Q214-S218 PolarHBondContact O-OG 2.86Å; Q214-S218 VanDerWaalsContact O-OG 3.12Å; R215-S218 PolarHBondContact O-N 3.46Å; M216-S218 VanDerWaalsContact C-N 3.33Å; M216-S218 PolarHBondContact O-N 2.97Å; S218-R221 PolarHBondContact O-N 2.95Å; S218-R221 PolarHBondContact OG-NH2 3.44Å; S218-A222 PolarHBondContact O-N 3.44Å
219R94.7Very high85.5Confident176 Ų176110.3 Ų110.366%0.66455%0.545SS*.Hα-helixtrans-61.6-45.8175-71.7176.3179.5-121.40.2111.6R215 M216 R221 A222 C223R215-R219 WeakPolarHBondContact O-CG 3.25Å; R215-R219 PolarHBondContact O-N 2.84Å; M216-R219 PolarHBondContact O-N 3.32Å; R219-R221 VanDerWaalsContact C-N 3.29Å; R219-R221 PolarHBondContact O-N 2.9Å; R219-A222 PolarHBondContact O-N 3.13Å; R219-A222 VanDerWaalsContact O-N 3.14Å; R219-C223 PolarHBondContact O-N 3.05Å; R219-C223 PolarHBondContact O-SG 3Å; R219-C223 VanDerWaalsContact O-SG 3.33Å
220L92.9Very high83.4Confident107 Ų107112.6 Ų112.656%0.5656%0.556SS**Hα-helixtrans-59.9-39.3176.4-70.2173.9000112.1M216 S217 K224M216-L220 WeakPolarHBondContact O-CG 3.35Å; M216-L220 PolarHBondContact O-N 2.92Å; S217-L220 PolarHBondContact O-N 3.36Å; L220-K224 WeakPolarHBondContact O-CB 3.43Å; L220-K224 WeakPolarHBondContact O-CG 3.3Å; L220-K224 PolarHBondContact O-N 3.21Å
221R90.3Very high81.5Confident152 Ų152109.4 Ų109.457%0.57456%0.563SS**Hα-helixtrans-64.7-42.7173.8-73.7-171.1-61.8-88.50.5112.2S217 S218 R219 K224 G225S217-R221 WeakPolarHBondContact O-CG 3.1Å; S217-R221 PolarHBondContact O-N 2.99Å; S218-R221 PolarHBondContact O-N 2.95Å; S218-R221 PolarHBondContact OG-NH2 3.44Å; R219-R221 VanDerWaalsContact C-N 3.29Å; R219-R221 PolarHBondContact O-N 2.9Å; R221-K224 PolarHBondContact O-N 3.38Å; R221-G225 PolarHBondContact O-N 3.49Å
222A88.4Confident79.3Confident54 Ų54116.5 Ų116.545%0.44658%0.584SS.*Hα-helixtrans-62.6-46.7176.700000111.9S218 R219 K224 G225 H226S218-A222 PolarHBondContact O-N 3.44Å; R219-A222 PolarHBondContact O-N 3.13Å; R219-A222 VanDerWaalsContact O-N 3.14Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.01Å; A222-G225 PolarHBondContact O-N 2.96Å; A222-G225 VanDerWaalsContact O-N 3.16Å; A222-H226 PolarHBondContact O-CD2 2.84Å; A222-H226 VanDerWaalsContact O-CD2 3.32Å; A222-H226 PolarHBondContact O-N 3.47Å; A222-H226 VanDerWaalsContact O-N 3.08Å
223C81.3Confident77.3Confident84 Ų84120 Ų12057%0.56860%0.599SS**Hα-helixtrans-61.5-37.7176.6-63.70000112.6R219 R227R219-C223 PolarHBondContact O-N 3.05Å; R219-C223 PolarHBondContact O-SG 3Å; R219-C223 VanDerWaalsContact O-SG 3.33Å; C223-R227 PolarHBondContact O-N 3.34Å
224K79.6Confident74.9Confident163 Ų163117.5 Ų117.571%0.70960%0.602SS**Hα-helixtrans-67.1-39.4174.1-76.8-178.1178.1-171.70112.5L220 R221 A222 R227 G228L220-K224 WeakPolarHBondContact O-CB 3.43Å; L220-K224 WeakPolarHBondContact O-CG 3.3Å; L220-K224 PolarHBondContact O-N 3.21Å; R221-K224 PolarHBondContact O-N 3.38Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.01Å; K224-R227 PolarHBondContact O-N 3.31Å; K224-G228 PolarHBondContact O-N 3.28Å; K224-G228 VanDerWaalsContact O-N 3.12Å
225G70.1Confident72.8Confident40 Ų40117.8 Ų117.841%0.41262%0.615SS.*Hα-helixtrans-62.6-40.5176.700000113.2R221 A222 G228 L229R221-G225 PolarHBondContact O-N 3.49Å; A222-G225 PolarHBondContact O-N 2.96Å; A222-G225 VanDerWaalsContact O-N 3.16Å; G225-G228 PolarHBondContact O-N 3.44Å; G225-L229 PolarHBondContact O-N 2.99Å
226H60.2Low70.5Confident140 Ų140119.8 Ų119.865%0.64863%0.631SS**Hα-helixtrans-67.6-38.5176.9-82.6-110.7000113.1A222 G228 L229 Q230A222-H226 PolarHBondContact O-CD2 2.84Å; A222-H226 VanDerWaalsContact O-CD2 3.32Å; A222-H226 PolarHBondContact O-N 3.47Å; A222-H226 VanDerWaalsContact O-N 3.08Å; H226-G228 VanDerWaalsContact C-N 3.33Å; H226-G228 PolarHBondContact O-N 3.25Å; H226-L229 PolarHBondContact O-N 2.94Å; H226-Q230 PolarHBondContact O-N 3Å
227R59.6Low68.5Low204 Ų204123.7 Ų123.777%0.7765%0.648SS**Hα-helixtrans-65.5-34.7173.4-84.7-173.8-179.4-112.91.6112.8C223 K224 A231C223-R227 PolarHBondContact O-N 3.34Å; K224-R227 PolarHBondContact O-N 3.31Å; R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 3.44Å; R227-A231 VanDerWaalsContact O-N 3.14Å
228G57.3Low66.2Low47 Ų47130.9 Ų130.949%0.48568%0.676SS.*Hα-helixtrans-68.5-31.6175.900000113.9K224 G225 H226K224-G228 PolarHBondContact O-N 3.28Å; K224-G228 VanDerWaalsContact O-N 3.12Å; G225-G228 PolarHBondContact O-N 3.44Å; H226-G228 VanDerWaalsContact C-N 3.33Å; H226-G228 PolarHBondContact O-N 3.25Å
229L55.8Low64.6Low124 Ų124137.2 Ų137.265%0.64972%0.72SS**Hα-helixtrans-78.7-40.2175.9-75.1165.7000112.5G225 H226 A231 R232G225-L229 PolarHBondContact O-N 2.99Å; H226-L229 PolarHBondContact O-N 2.94Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 2.66Å; L229-R232 PolarHBondContact O-N 3.48Å
230Q54.8Low63.1Low158 Ų158135.3 Ų135.374%0.73872%0.723SS**Hα-helixtrans-64.4-33.4174.2-97.1178.210.600112.8H226 R232H226-Q230 PolarHBondContact O-N 3Å; Q230-R232 PolarHBondContact O-N 2.94Å
231A55.5Low61.6Low88 Ų88136.8 Ų136.873%0.72773%0.732SS**THydrogen-bonded Turntrans-71.7-12.4177.200000114.2R227 L229R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 3.44Å; R227-A231 VanDerWaalsContact O-N 3.14Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 2.66Å
232R53.5Low60Low225 Ų225135.9 Ų135.985%0.84974%0.74SS**THydrogen-bonded Turntrans-97.2-7.5179.9-118.4-168.4-177.6-143.40.8114.3L229 Q230L229-R232 PolarHBondContact O-N 3.48Å; Q230-R232 PolarHBondContact O-N 2.94Å
233L53.9Low58.3Low159 Ų159140.8 Ų140.883%0.83276%0.758SS**  trans-115.671.2175.6-69.1165.6000108.1
234G47.8Very low56.9Low61 Ų61144.3 Ų144.363%0.62977%0.77SS**  trans-106.2153.2170.400000110.4
235P52.8Low55.4Low127 Ų127143.1 Ų143.183%0.82577%0.774SS**PPolyproline II helixtrans-73131.7-13928.7-34.1000113.7
236E48.5Very low54.3Low198 Ų198150.4 Ų150.493%0.92580%0.8SS**PPolyproline II helixtrans-61133160.6-94.5-164.793.100109.2
237Q54.1Low53.8Low187 Ų187151.2 Ų151.287%0.87481%0.811SS**PPolyproline II helixtrans-67.9130-173.6-60-164.78.800111
238Q46.3Very low53.4Low203 Ų203146.8 Ų146.895%0.94982%0.815SS**  trans-89111.5160.9-108.3160.6-23.400107.7
239S60.1Low53Low185 Ų185155.9 Ų155.9100%1.29485%0.845SS**  trans-95.60172-166.10000111.1

Retrieved 239 of 239 residues in 750.2 ms (Link to these results)

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