A0A077Z591_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z591, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M62Low70.2Confident242 Ų242146.7 Ų146.7100%1.19269%0.69SS**  099.20-67.9-165.7-83.700109.2R3M1-R3 PolarHBondContact O-N 3.49Å
2G65Low72.2Confident81 Ų81134.7 Ų134.784%0.83563%0.634SS**  trans-75115.4-178.800000111K4G2-K4 PolarHBondContact O-N 2.86Å
3R61.7Low74Confident247 Ų247124.3 Ų124.393%0.93259%0.585SS**  trans-62.5101167.9-89.5-179.7-179.5157.70.4108M1 K5M1-R3 PolarHBondContact O-N 3.49Å; R3-K5 PolarHBondContact O-N 3.26Å
4K60.1Low75.5Confident209 Ų209115.8 Ų115.891%0.90954%0.544SS*.  trans-64.199.9169.1-162168.6-176.8178.30106.7G2 K6G2-K4 PolarHBondContact O-N 2.86Å; K4-K6 PolarHBondContact O-N 3.44Å
5K61.9Low76.8Confident194 Ų194108.1 Ų108.184%0.84351%0.508SS*.  trans-59.1104.5178.4-171.5167.8-178.4175.60107.2R3 K7R3-K5 PolarHBondContact O-N 3.26Å; K5-K7 PolarHBondContact O-N 3.02Å
6K61.7Low77.9Confident197 Ų197103.5 Ų103.586%0.85749%0.491SS*.  trans-56.5114172.2-170.3169.7-177.3178.90105.6K4 F8K4-K6 PolarHBondContact O-N 3.44Å; K6-F8 PolarHBondContact O-N 2.76Å
7K66.6Low78.8Confident129 Ų129102.2 Ų102.256%0.56149%0.488SS*.  trans-60.6113.4177.7-66178-176.2174.40105.7K5 V9 L98K5-K7 PolarHBondContact O-N 3.02Å; K7-V9 PolarHBondContact O-N 3.38Å; K7-L98 HydrophobicContact CD-CD1 4.4Å; K7-L98 VanDerWaalsContact NZ-CD2 3.29Å
8F72.1Confident79.5Confident170 Ų170103.2 Ų103.275%0.74649%0.486SS*.  trans-73.998.2175.6-173-92.9000106.4K6K6-F8 PolarHBondContact O-N 2.76Å
9V79.6Confident80.2Confident44 Ų44103.3 Ų103.327%0.26749%0.486SS..PPolyproline II helixtrans-78.5126.5172.1-177.60000106.6K7 E94K7-V9 PolarHBondContact O-N 3.38Å; V9-E94 HydrophobicContact CG2-CG 4.12Å
10K89.3Confident80.9Confident94 Ų9499.3 Ų99.341%0.40947%0.467SS..PPolyproline II helixtrans-63.2136.2177.8-69.3-168.8175.7-154.90109.9D21K10-D21 IonicContact NZ-OD1 3.26Å; K10-D21 PolarHBondContact NZ-OD1 3.43Å
11P92.4Very high81.4Confident7 Ų799.7 Ų99.75%0.04547%0.472CS..PPolyproline II helixtrans-60.3142.5174.124-32000110.2F20 L26 M82P11-F20 WeakPolarHBondContact CD-O 3.16Å; P11-F20 HydrophobicContact CG-CB 4.5Å; P11-F20 WeakPolarHBondContact CG-O 3.39Å; P11-F20 PolarHBondContact O-N 3.28Å; P11-L26 HydrophobicContact CB-CD2 3.89Å; P11-M82 HydrophobicContact CB-CG 3.96Å; P11-M82 HydrophobicContact CB-SD 3.75Å
12W94.4Very high83Confident2 Ų293 Ų931%0.00844%0.441CS..BIsolated β-bridgetrans-141.4155-174.970.3-80.2000111.5W14 N17 R18 E19 L26 I85 H93W12-W14 HydrophobicContact CH2-CB 4.24Å; W12-W14 AromaticContact CH2-CD1 3.6Å; W12-W14 HydrophobicContact CH2-CG 4.24Å; W12-W14 HydrophobicContact CZ3-CB 4.33Å; W12-N17 WeakPolarHBondContact CZ3-OD1 3.36Å; W12-R18 CarbonylContact C-O 3.46Å; W12-R18 VanDerWaalsContact CA-O 3.22Å; W12-R18 WeakPolarHBondContact CA-O 3.46Å; W12-E19 HydrophobicContact CB-CG 4.34Å; W12-L26 VanDerWaalsContact O-CD2 3.27Å; W12-L26 WeakPolarHBondContact O-CD2 3.34Å; W12-I85 HydrophobicContact CZ2-CD1 4.49Å; W12-I85 HydrophobicContact CZ2-CG2 4.3Å; W12-H93 AromaticContact CD1-CE1 3.47Å; W12-H93 VanDerWaalsContact CD1-CE1 3.47Å; W12-H93 AromaticContact CD1-CG 3.89Å; W12-H93 AromaticContact CD1-ND1 3.46Å; W12-H93 AromaticContact CD1-NE2 3.93Å; W12-H93 AromaticContact CD2-CD2 3.43Å; W12-H93 VanDerWaalsContact CD2-CD2 3.43Å; W12-H93 AromaticContact CD2-CE1 3.88Å; W12-H93 AromaticContact CD2-CG 3.77Å; W12-H93 AromaticContact CD2-NE2 3.53Å; W12-H93 AromaticContact CE2-CD2 3.61Å; W12-H93 AromaticContact CE2-CG 3.48Å; W12-H93 VanDerWaalsContact CE2-CG 3.48Å; W12-H93 AromaticContact CE2-ND1 3.89Å; W12-H93 AromaticContact CE3-CD2 3.66Å; W12-H93 AromaticContact CE3-NE2 3.88Å; W12-H93 AromaticContact CG-CD2 3.85Å; W12-H93 AromaticContact CG-CE1 3.43Å; W12-H93 VanDerWaalsContact CG-CE1 3.43Å; W12-H93 AromaticContact CG-ND1 3.81Å; W12-H93 AromaticContact CG-NE2 3.47Å; W12-H93 HydrophobicContact CH2-CB 4.39Å; W12-H93 HydrophobicContact CZ2-CB 3.74Å; W12-H93 AromaticContact CZ2-CG 3.9Å; W12-H93 AromaticContact NE1-CE1 3.95Å; W12-H93 AromaticContact NE1-CG 3.56Å; W12-H93 AromaticContact NE1-ND1 3.51Å
13C95.7Very high84.3Confident0 Ų092.3 Ų92.30%042%0.418CS..  trans-88.6113.3-179.7-175.50000111.4Y15 C16 N17 R18 F20 L26 H34C13-Y15 PolarHBondContact O-N 3.38Å; C13-C16 PolarHBondContact O-N 3.07Å; C13-C16 VanDerWaalsContact SG-SG 3.65Å; C13-N17 WeakPolarHBondContact O-CA 3.47Å; C13-N17 PolarHBondContact O-N 3.4Å; C13-R18 PolarHBondContact N-O 3.49Å; C13-F20 HydrophobicContact CB-CE2 3.98Å; C13-L26 VanDerWaalsContact CA-CD1 3.49Å; C13-L26 HydrophobicContact CB-CD1 3.56Å; C13-H34 VanDerWaalsContact SG-CD2 3.55Å; C13-H34 PolarHBondContact SG-NE2 2.88Å; C13-H34 VanDerWaalsContact SG-NE2 3.37Å
14W94.4Very high85.9Confident5 Ų588.7 Ų88.72%0.01941%0.409CS..THydrogen-bonded Turntrans-52.2-40.6176.4-170.479.2000113.3W12 R72 I77 I79 I85 P86 D89W12-W14 HydrophobicContact CH2-CB 4.24Å; W12-W14 AromaticContact CH2-CD1 3.6Å; W12-W14 HydrophobicContact CH2-CG 4.24Å; W12-W14 HydrophobicContact CZ3-CB 4.33Å; W14-R72 HydrophobicContact CD2-CB 4.07Å; W14-R72 HydrophobicContact CD2-CG 4.46Å; W14-R72 HydrophobicContact CE3-CB 3.9Å; W14-R72 VanDerWaalsContact CH2-CA 3.48Å; W14-R72 HydrophobicContact CH2-CB 3.53Å; W14-R72 HydrophobicContact CH2-CG 3.97Å; W14-R72 HydrophobicContact CZ2-CB 3.69Å; W14-R72 HydrophobicContact CZ2-CG 3.63Å; W14-R72 VanDerWaalsContact CZ3-C 3.48Å; W14-R72 HydrophobicContact CZ3-CB 3.66Å; W14-R72 WeakPolarHBondContact CZ3-O 3.48Å; W14-R72 PolarHBondContact O-NE 2.89Å; W14-R72 PolarHBondContact O-NH2 3.01Å; W14-I77 HydrophobicContact CH2-CD1 3.71Å; W14-I77 HydrophobicContact CZ2-CD1 4.13Å; W14-I79 HydrophobicContact CB-CD1 3.75Å; W14-I79 HydrophobicContact CD2-CD1 3.32Å; W14-I79 HydrophobicContact CE3-CD1 3.21Å; W14-I79 HydrophobicContact CG-CD1 3.59Å; W14-I79 HydrophobicContact CZ3-CD1 3.9Å; W14-I85 HydrophobicContact CB-CD1 4.26Å; W14-I85 HydrophobicContact CB-CG1 4.25Å; W14-I85 HydrophobicContact CG-CG2 4.39Å; W14-P86 HydrophobicContact CZ2-CG 4.42Å; W14-D89 PolarHBondContact NE1-OD2 3.48Å
15Y95.2Very high87.6Confident0 Ų081.6 Ų81.60%038%0.384CS..THydrogen-bonded Turntrans-69.4-37.3-177.7-58.2-68000114C13 H34 F35 I65 S68 V69 R72 I79C13-Y15 PolarHBondContact O-N 3.38Å; Y15-H34 VanDerWaalsContact CB-CE1 3.49Å; Y15-H34 WeakPolarHBondContact CB-CE1 3.3Å; Y15-H34 HydrophobicContact CD2-CB 4.14Å; Y15-H34 AromaticContact CD2-CD2 3.76Å; Y15-H34 AromaticContact CD2-CG 3.88Å; Y15-H34 HydrophobicContact CG-CB 4.45Å; Y15-H34 AromaticContact CG-CG 3.97Å; Y15-F35 AromaticContact CE2-CE1 3.84Å; Y15-F35 HydrophobicContact CE2-CE1 3.84Å; Y15-F35 HydrophobicContact CE2-CE2 4.44Å; Y15-F35 AromaticContact CE2-CZ 3.48Å; Y15-F35 HydrophobicContact CE2-CZ 3.48Å; Y15-F35 VanDerWaalsContact CE2-CZ 3.48Å; Y15-F35 AromaticContact CZ-CE1 3.9Å; Y15-F35 AromaticContact CZ-CZ 3.81Å; Y15-F35 WeakPolarHBondContact OH-CZ 3.04Å; Y15-I65 HydrophobicContact CD1-CB 4.46Å; Y15-I65 HydrophobicContact CD1-CD1 4.03Å; Y15-I65 HydrophobicContact CD1-CG2 4.14Å; Y15-I65 HydrophobicContact CE1-CB 4.45Å; Y15-I65 HydrophobicContact CE1-CD1 3.21Å; Y15-I65 HydrophobicContact CE1-CG1 4.39Å; Y15-I65 HydrophobicContact CE1-CG2 4.33Å; Y15-S68 CarbonylContact O-C 3.05Å; Y15-S68 WeakPolarHBondContact O-CA 3.26Å; Y15-V69 WeakPolarHBondContact O-CG2 3.45Å; Y15-V69 PolarHBondContact O-N 3.04Å; Y15-R72 VanDerWaalsContact CD1-O 3.27Å; Y15-R72 WeakPolarHBondContact CD1-O 3.29Å; Y15-I79 HydrophobicContact CE2-CB 4.46Å
16C94.5Very high89.2Confident35 Ų3572.4 Ų72.424%0.23634%0.343CS..THydrogen-bonded Turntrans-129.68-171.867.20000116.4C13 R18 H29 H34C13-C16 PolarHBondContact O-N 3.07Å; C13-C16 VanDerWaalsContact SG-SG 3.65Å; C16-R18 PolarHBondContact O-N 2.94Å; C16-H29 PolarHBondContact SG-NE2 3.38Å; C16-H34 PolarHBondContact SG-NE2 3.3Å; C16-H34 VanDerWaalsContact SG-NE2 3.42Å
17N92.6Very high90.8Very high81 Ų8163.4 Ų63.443%0.43331%0.305SS..  trans57.826.9-179.9-67.8-61.1000115.2W12 C13 R72W12-N17 WeakPolarHBondContact CZ3-OD1 3.36Å; C13-N17 WeakPolarHBondContact O-CA 3.47Å; C13-N17 PolarHBondContact O-N 3.4Å; N17-R72 PolarHBondContact ND2-NH2 2.97Å; N17-R72 PolarHBondContact OD1-NH2 3.38Å
18R92.6Very high92.2Very high120 Ų12063.3 Ų63.345%0.45331%0.307SS..  trans-89.8132.3175.9-65.6-174.376.5-165.56.7110.5W12 C13 C16 F20W12-R18 CarbonylContact C-O 3.46Å; W12-R18 VanDerWaalsContact CA-O 3.22Å; W12-R18 WeakPolarHBondContact CA-O 3.46Å; C13-R18 PolarHBondContact N-O 3.49Å; C16-R18 PolarHBondContact O-N 2.94Å; R18-F20 HydrophobicContact CB-CE2 3.81Å; R18-F20 HydrophobicContact CB-CZ 3.91Å; R18-F20 WeakPolarHBondContact O-CD2 3.24Å; R18-F20 VanDerWaalsContact O-CE2 3.23Å; R18-F20 WeakPolarHBondContact O-CE2 3.32Å
19E93.1Very high93.4Very high105 Ų10556 Ų5649%0.49128%0.275SS..BIsolated β-bridgetrans-87.8147.5174.9-60.9174.9110.600110.7W12W12-E19 HydrophobicContact CB-CG 4.34Å
20F93.9Very high94.2Very high24 Ų2454 Ų5411%0.10526%0.262CS..  trans-133.5156.5178.1-61.5-85000108.9P11 C13 R18 V25 L26 H29P11-F20 WeakPolarHBondContact CD-O 3.16Å; P11-F20 HydrophobicContact CG-CB 4.5Å; P11-F20 WeakPolarHBondContact CG-O 3.39Å; P11-F20 PolarHBondContact O-N 3.28Å; C13-F20 HydrophobicContact CB-CE2 3.98Å; R18-F20 HydrophobicContact CB-CE2 3.81Å; R18-F20 HydrophobicContact CB-CZ 3.91Å; R18-F20 WeakPolarHBondContact O-CD2 3.24Å; R18-F20 VanDerWaalsContact O-CE2 3.23Å; R18-F20 WeakPolarHBondContact O-CE2 3.32Å; F20-V25 HydrophobicContact CD1-CB 4.37Å; F20-V25 HydrophobicContact CD1-CG1 3.63Å; F20-V25 HydrophobicContact CE1-CG1 4.28Å; F20-V25 HydrophobicContact CG-CG1 4.46Å; F20-L26 HydrophobicContact CB-CB 4.24Å; F20-L26 HydrophobicContact CD2-CB 3.87Å; F20-L26 HydrophobicContact CD2-CD1 3.62Å; F20-L26 HydrophobicContact CD2-CG 4.33Å; F20-L26 HydrophobicContact CE2-CD1 3.73Å; F20-L26 HydrophobicContact CG-CB 4.13Å; F20-H29 HydrophobicContact CE1-CB 3.73Å; F20-H29 AromaticContact CE1-CG 3.86Å; F20-H29 HydrophobicContact CE2-CB 4.2Å; F20-H29 AromaticContact CE2-CD2 3.56Å; F20-H29 AromaticContact CE2-CG 3.86Å; F20-H29 HydrophobicContact CZ-CB 3.5Å; F20-H29 AromaticContact CZ-CD2 3.32Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.49Å; F20-H29 AromaticContact CZ-CE1 3.95Å; F20-H29 AromaticContact CZ-CG 3.16Å; F20-H29 AromaticContact CZ-ND1 3.6Å; F20-H29 AromaticContact CZ-NE2 3.81Å
21D91.9Very high94.4Very high107 Ų10751.5 Ų51.557%0.57225%0.252SS*.SBendtrans-82.6-27.2177.2-61.1-59.6000112K10K10-D21 IonicContact NZ-OD1 3.26Å; K10-D21 PolarHBondContact NZ-OD1 3.43Å
22D93.6Very high94.5Very high101 Ų10153.5 Ų53.554%0.5427%0.269SS..SBendtrans-127.5142.6-178.7-67-56.3000112.6K24 V25 L26D22-K24 PolarHBondContact O-N 3.25Å; D22-V25 HydrophobicContact CB-CB 4.39Å; D22-V25 HydrophobicContact CB-CG2 3.97Å; D22-V25 PolarHBondContact O-N 3.06Å; D22-V25 VanDerWaalsContact O-N 3.12Å; D22-L26 PolarHBondContact O-N 3.48Å; D22-L26 VanDerWaalsContact O-N 3.09Å
23D93.3Very high94.6Very high67 Ų6758 Ų5836%0.35829%0.289SS..Hα-helixtrans-61.7-33.9174.9-175.1-107.4000111.9V25 L26 V27 G81 M82D23-V25 VanDerWaalsContact C-N 3.32Å; D23-V25 PolarHBondContact O-N 2.97Å; D23-L26 WeakPolarHBondContact O-CB 3.29Å; D23-L26 PolarHBondContact O-N 3.44Å; D23-V27 WeakPolarHBondContact O-CG2 3.37Å; D23-V27 PolarHBondContact O-N 3.06Å; D23-G81 WeakPolarHBondContact OD2-CA 3.28Å; D23-M82 PolarHBondContact OD2-N 3.06Å
24K94.4Very high94.6Very high171 Ų17158.1 Ų58.174%0.74329%0.289SS*.Hα-helixtrans-61.8-40175.1-65-170.8178.5-171.60112.5D22 V27 Q28D22-K24 PolarHBondContact O-N 3.25Å; K24-V27 PolarHBondContact O-N 3.01Å; K24-Q28 WeakPolarHBondContact O-CG 3.34Å; K24-Q28 PolarHBondContact O-N 2.8Å
25V95.9Very high94.6Very high61 Ų6157.9 Ų57.937%0.3729%0.288SS..Hα-helixtrans-71.1-38.7178.7-1790000109.8F20 D22 D23 Q28 H29F20-V25 HydrophobicContact CD1-CB 4.37Å; F20-V25 HydrophobicContact CD1-CG1 3.63Å; F20-V25 HydrophobicContact CE1-CG1 4.28Å; F20-V25 HydrophobicContact CG-CG1 4.46Å; D22-V25 HydrophobicContact CB-CB 4.39Å; D22-V25 HydrophobicContact CB-CG2 3.97Å; D22-V25 PolarHBondContact O-N 3.06Å; D22-V25 VanDerWaalsContact O-N 3.12Å; D23-V25 VanDerWaalsContact C-N 3.32Å; D23-V25 PolarHBondContact O-N 2.97Å; V25-Q28 PolarHBondContact O-N 3.34Å; V25-H29 WeakPolarHBondContact O-CB 3.46Å; V25-H29 PolarHBondContact O-N 3.12Å
26L95.9Very high94.6Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-57.7-48.6171.9169.461000111.6P11 W12 C13 F20 D22 D23 Q28 H29 Q30 M82P11-L26 HydrophobicContact CB-CD2 3.89Å; W12-L26 VanDerWaalsContact O-CD2 3.27Å; W12-L26 WeakPolarHBondContact O-CD2 3.34Å; C13-L26 VanDerWaalsContact CA-CD1 3.49Å; C13-L26 HydrophobicContact CB-CD1 3.56Å; F20-L26 HydrophobicContact CB-CB 4.24Å; F20-L26 HydrophobicContact CD2-CB 3.87Å; F20-L26 HydrophobicContact CD2-CD1 3.62Å; F20-L26 HydrophobicContact CD2-CG 4.33Å; F20-L26 HydrophobicContact CE2-CD1 3.73Å; F20-L26 HydrophobicContact CG-CB 4.13Å; D22-L26 PolarHBondContact O-N 3.48Å; D22-L26 VanDerWaalsContact O-N 3.09Å; D23-L26 WeakPolarHBondContact O-CB 3.29Å; D23-L26 PolarHBondContact O-N 3.44Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.38Å; L26-H29 WeakPolarHBondContact O-CB 3.36Å; L26-H29 PolarHBondContact O-N 3.34Å; L26-H29 VanDerWaalsContact O-N 3.17Å; L26-Q30 HydrophobicContact CD1-CG 4.18Å; L26-Q30 WeakPolarHBondContact O-CG 3.14Å; L26-Q30 PolarHBondContact O-N 3.12Å; L26-M82 HydrophobicContact CD2-CG 4.15Å
27V95.5Very high94.7Very high8 Ų860 Ų605%0.04829%0.293CS..Hα-helixtrans-60.8-42.8177.5171.60000111.2D23 K24 H29 Q30 K31 Y80D23-V27 WeakPolarHBondContact O-CG2 3.37Å; D23-V27 PolarHBondContact O-N 3.06Å; K24-V27 PolarHBondContact O-N 3.01Å; V27-H29 VanDerWaalsContact C-N 3.33Å; V27-H29 PolarHBondContact O-N 3.14Å; V27-Q30 PolarHBondContact O-N 3.44Å; V27-K31 HydrophobicContact CG1-CD 4.35Å; V27-K31 WeakPolarHBondContact O-CG 3.43Å; V27-K31 PolarHBondContact O-N 3.45Å; V27-K31 VanDerWaalsContact O-N 3.09Å; V27-Y80 HydrophobicContact CG1-CE2 3.93Å; V27-Y80 HydrophobicContact CG2-CD1 4.43Å; V27-Y80 HydrophobicContact CG2-CE1 4.09Å
28Q96Very high94.6Very high128 Ų12861.3 Ų61.360%0.59830%0.297SS*.Hα-helixtrans-62.7-40.4175.6-74.5178.4-1700112.2K24 V25 L26 K31 A32K24-Q28 WeakPolarHBondContact O-CG 3.34Å; K24-Q28 PolarHBondContact O-N 2.8Å; V25-Q28 PolarHBondContact O-N 3.34Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.38Å; Q28-K31 PolarHBondContact O-N 2.81Å; Q28-A32 WeakPolarHBondContact O-CB 3.44Å; Q28-A32 PolarHBondContact O-N 2.86Å
29H96.7Very high94.7Very high16 Ų1659.3 Ų59.37%0.07429%0.294CS..Hα-helixtrans-62.3-46.3175.3163.875.9000112.1C16 F20 V25 L26 V27 K31 A32 K33 H34C16-H29 PolarHBondContact SG-NE2 3.38Å; F20-H29 HydrophobicContact CE1-CB 3.73Å; F20-H29 AromaticContact CE1-CG 3.86Å; F20-H29 HydrophobicContact CE2-CB 4.2Å; F20-H29 AromaticContact CE2-CD2 3.56Å; F20-H29 AromaticContact CE2-CG 3.86Å; F20-H29 HydrophobicContact CZ-CB 3.5Å; F20-H29 AromaticContact CZ-CD2 3.32Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.49Å; F20-H29 AromaticContact CZ-CE1 3.95Å; F20-H29 AromaticContact CZ-CG 3.16Å; F20-H29 AromaticContact CZ-ND1 3.6Å; F20-H29 AromaticContact CZ-NE2 3.81Å; V25-H29 WeakPolarHBondContact O-CB 3.46Å; V25-H29 PolarHBondContact O-N 3.12Å; L26-H29 WeakPolarHBondContact O-CB 3.36Å; L26-H29 PolarHBondContact O-N 3.34Å; L26-H29 VanDerWaalsContact O-N 3.17Å; V27-H29 VanDerWaalsContact C-N 3.33Å; V27-H29 PolarHBondContact O-N 3.14Å; H29-K31 VanDerWaalsContact C-N 3.35Å; H29-K31 PolarHBondContact O-N 3.17Å; H29-A32 PolarHBondContact O-N 3.13Å; H29-K33 WeakPolarHBondContact O-CB 3.48Å; H29-K33 PolarHBondContact O-N 3.33Å; H29-H34 AromaticContact NE2-NE2 3.51Å
30Q96.3Very high94.9Very high1 Ų156.9 Ų56.91%0.00529%0.289CS..Hα-helixtrans-56.3-48.5176.3-72.3169.2-13.900111.1L26 V27 A32 H34 F35 G81L26-Q30 HydrophobicContact CD1-CG 4.18Å; L26-Q30 WeakPolarHBondContact O-CG 3.14Å; L26-Q30 PolarHBondContact O-N 3.12Å; V27-Q30 PolarHBondContact O-N 3.44Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.34Å; Q30-H34 WeakPolarHBondContact O-CA 3.37Å; Q30-H34 WeakPolarHBondContact O-CB 3.32Å; Q30-H34 PolarHBondContact O-N 2.88Å; Q30-F35 HydrophobicContact CB-CD2 4.08Å; Q30-F35 HydrophobicContact CB-CE2 3.86Å; Q30-F35 PolarHBondContact O-N 3.12Å; Q30-G81 PolarHBondContact NE2-O 3.4Å; Q30-G81 VanDerWaalsContact NE2-O 3.11Å
31K94.7Very high94.9Very high42 Ų4261.1 Ų61.118%0.18331%0.308CS..Hα-helixtrans-60.4-39.8176.5-68.9174.6-178.4176.20113.6V27 Q28 H29 L44 Y45V27-K31 HydrophobicContact CG1-CD 4.35Å; V27-K31 WeakPolarHBondContact O-CG 3.43Å; V27-K31 PolarHBondContact O-N 3.45Å; V27-K31 VanDerWaalsContact O-N 3.09Å; Q28-K31 PolarHBondContact O-N 2.81Å; H29-K31 VanDerWaalsContact C-N 3.35Å; H29-K31 PolarHBondContact O-N 3.17Å; K31-L44 WeakPolarHBondContact CG-O 3.21Å; K31-Y45 VanDerWaalsContact NZ-CD1 3.33Å
32A94.7Very high95.1Very high49 Ų4961.6 Ų61.641%0.40531%0.305SS..Hα-helixtrans-79.4-36.6-17500000113Q28 H29 Q30Q28-A32 WeakPolarHBondContact O-CB 3.44Å; Q28-A32 PolarHBondContact O-N 2.86Å; H29-A32 PolarHBondContact O-N 3.13Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.34Å
33K95.2Very high95.2Very high98 Ų9863 Ų6343%0.42631%0.306SS..Hα-helixtrans-100.1-44.5-175-71.6-137-175.7-171.50114.3H29H29-K33 WeakPolarHBondContact O-CB 3.48Å; H29-K33 PolarHBondContact O-N 3.33Å
34H95.4Very high95.3Very high1 Ų161.1 Ų61.11%0.00530%0.297CS..THydrogen-bonded Turntrans-101.8-39.5-168.3-61.3-55.2000112.2C13 Y15 C16 H29 Q30 K36 L50 I65 P66 N67C13-H34 VanDerWaalsContact SG-CD2 3.55Å; C13-H34 PolarHBondContact SG-NE2 2.88Å; C13-H34 VanDerWaalsContact SG-NE2 3.37Å; Y15-H34 VanDerWaalsContact CB-CE1 3.49Å; Y15-H34 WeakPolarHBondContact CB-CE1 3.3Å; Y15-H34 HydrophobicContact CD2-CB 4.14Å; Y15-H34 AromaticContact CD2-CD2 3.76Å; Y15-H34 AromaticContact CD2-CG 3.88Å; Y15-H34 HydrophobicContact CG-CB 4.45Å; Y15-H34 AromaticContact CG-CG 3.97Å; C16-H34 PolarHBondContact SG-NE2 3.3Å; C16-H34 VanDerWaalsContact SG-NE2 3.42Å; H29-H34 AromaticContact NE2-NE2 3.51Å; Q30-H34 WeakPolarHBondContact O-CA 3.37Å; Q30-H34 WeakPolarHBondContact O-CB 3.32Å; Q30-H34 PolarHBondContact O-N 2.88Å; H34-K36 PolarHBondContact O-N 3.38Å; H34-L50 WeakPolarHBondContact O-CD2 3.5Å; H34-I65 HydrophobicContact CB-CG2 3.71Å; H34-P66 PolarHBondContact ND1-O 3.09Å; H34-P66 VanDerWaalsContact ND1-O 3.08Å; H34-P66 WeakPolarHBondContact O-CD 3.2Å; H34-P66 WeakPolarHBondContact O-CG 3.36Å; H34-N67 PolarHBondContact CE1-O 3.23Å; H34-N67 VanDerWaalsContact CE1-O 3.22Å
35F95.5Very high95.2Very high0 Ų059.6 Ų59.60%029%0.287CS..SBendtrans-101.531.8-175.8-50.5-39.4000113.3Y15 Q30 K43 L44 Y45 G47 I65Y15-F35 AromaticContact CE2-CE1 3.84Å; Y15-F35 HydrophobicContact CE2-CE1 3.84Å; Y15-F35 HydrophobicContact CE2-CE2 4.44Å; Y15-F35 AromaticContact CE2-CZ 3.48Å; Y15-F35 HydrophobicContact CE2-CZ 3.48Å; Y15-F35 VanDerWaalsContact CE2-CZ 3.48Å; Y15-F35 AromaticContact CZ-CE1 3.9Å; Y15-F35 AromaticContact CZ-CZ 3.81Å; Y15-F35 WeakPolarHBondContact OH-CZ 3.04Å; Q30-F35 HydrophobicContact CB-CD2 4.08Å; Q30-F35 HydrophobicContact CB-CE2 3.86Å; Q30-F35 PolarHBondContact O-N 3.12Å; F35-K43 WeakPolarHBondContact O-CA 3.37Å; F35-L44 HydrophobicContact CB-CB 4.28Å; F35-L44 WeakPolarHBondContact CB-O 3.39Å; F35-L44 PolarHBondContact O-N 3.43Å; F35-Y45 WeakPolarHBondContact CD2-O 3.48Å; F35-Y45 VanDerWaalsContact CE2-O 3.32Å; F35-Y45 WeakPolarHBondContact CE2-O 3.48Å; F35-G47 VanDerWaalsContact CE1-N 3.3Å; F35-I65 HydrophobicContact CE1-CD1 4.09Å
36K94.7Very high95.2Very high81 Ų8158.5 Ų58.535%0.35228%0.281SS..BIsolated β-bridgetrans-99.5122.1175.5-172.5-174.5178.2-165.10109.7H34 H38 H41H34-K36 PolarHBondContact O-N 3.38Å; K36-H38 PolarHBondContact O-N 3.46Å; K36-H41 VanDerWaalsContact CE-ND1 3.34Å; K36-H41 WeakPolarHBondContact CE-ND1 3.44Å
37C95.8Very high95Very high0 Ų058.5 Ų58.50%028%0.281CS..  trans-62.4129171.5-175.90000110.3L39 H41 K42 L50 H53C37-L39 VanDerWaalsContact C-N 3.26Å; C37-L39 PolarHBondContact O-N 3.03Å; C37-L39 PolarHBondContact SG-N 3.37Å; C37-L39 VanDerWaalsContact SG-N 3.38Å; C37-H41 WeakPolarHBondContact O-CA 3.34Å; C37-H41 PolarHBondContact O-N 2.89Å; C37-H41 PolarHBondContact O-ND1 3.17Å; C37-K42 HydrophobicContact CB-CB 4.48Å; C37-K42 PolarHBondContact N-O 3.45Å; C37-L50 HydrophobicContact CB-CD1 4.23Å; C37-H53 WeakPolarHBondContact CB-NE2 3.41Å; C37-H53 PolarHBondContact SG-NE2 3.3Å; C37-H53 VanDerWaalsContact SG-NE2 3.4Å
38H92.2Very high95Very high108 Ų10859.2 Ų59.250%0.529%0.285SS..THydrogen-bonded Turntrans-70.5-21.5176.663.3-57.9000113.3K36K36-H38 PolarHBondContact O-N 3.46Å
39L94.7Very high94.9Very high77 Ų7754.2 Ų54.240%0.40327%0.268SS..THydrogen-bonded Turntrans-95.2-48.2-173.1-58.1168.4000113C37 H58 E60C37-L39 VanDerWaalsContact C-N 3.26Å; C37-L39 PolarHBondContact O-N 3.03Å; C37-L39 PolarHBondContact SG-N 3.37Å; C37-L39 VanDerWaalsContact SG-N 3.38Å; L39-H58 HydrophobicContact CD1-CB 3.32Å; L39-E60 HydrophobicContact CD1-CB 4.05Å; L39-E60 HydrophobicContact CD1-CG 3.75Å
40C96.5Very high94.9Very high55 Ų5553.6 Ų53.637%0.37227%0.265SS..THydrogen-bonded Turntrans-111.51.3179.268.30000114.4K42 H53 H58C40-K42 PolarHBondContact O-N 3Å; C40-K42 WeakPolarHBondContact SG-CB 3.38Å; C40-H53 PolarHBondContact SG-CE1 3.32Å; C40-H53 PolarHBondContact SG-NE2 3.48Å; C40-H58 PolarHBondContact SG-NE2 3.22Å; C40-H58 VanDerWaalsContact SG-NE2 3.38Å
41H94.7Very high94.8Very high113 Ų11354.6 Ų54.652%0.52327%0.274SS..  trans58.515.9-177.2-57.8-42.8000115.6K36 C37 K43K36-H41 VanDerWaalsContact CE-ND1 3.34Å; K36-H41 WeakPolarHBondContact CE-ND1 3.44Å; C37-H41 WeakPolarHBondContact O-CA 3.34Å; C37-H41 PolarHBondContact O-N 2.89Å; C37-H41 PolarHBondContact O-ND1 3.17Å; H41-K43 PolarHBondContact O-N 3.47Å
42K95.3Very high94.8Very high117 Ų11756.2 Ų56.251%0.50928%0.283SS..  trans-63.5132.7170.4-171.9179.4-72.6-76.20109.8C37 C40 L44C37-K42 HydrophobicContact CB-CB 4.48Å; C37-K42 PolarHBondContact N-O 3.45Å; C40-K42 PolarHBondContact O-N 3Å; C40-K42 WeakPolarHBondContact SG-CB 3.38Å; K42-L44 HydrophobicContact CB-CD2 4.27Å; K42-L44 HydrophobicContact CD-CD1 4.31Å; K42-L44 HydrophobicContact CD-CD2 4.41Å; K42-L44 HydrophobicContact CG-CD2 4.06Å; K42-L44 WeakPolarHBondContact O-CD2 3.47Å
43K95.2Very high94.9Very high129 Ų12954.6 Ų54.656%0.56127%0.267SS*.BIsolated β-bridgetrans-95.1124175.8-60.4177.4-174.8175.30109.2F35 H41F35-K43 WeakPolarHBondContact O-CA 3.37Å; H41-K43 PolarHBondContact O-N 3.47Å
44L94.9Very high95Very high29 Ų2949.9 Ų49.915%0.15225%0.247CC..  trans-105.2169.6177.7-68.2-55.5000109.2K31 F35 K42 L50 H53K31-L44 WeakPolarHBondContact CG-O 3.21Å; F35-L44 HydrophobicContact CB-CB 4.28Å; F35-L44 WeakPolarHBondContact CB-O 3.39Å; F35-L44 PolarHBondContact O-N 3.43Å; K42-L44 HydrophobicContact CB-CD2 4.27Å; K42-L44 HydrophobicContact CD-CD1 4.31Å; K42-L44 HydrophobicContact CD-CD2 4.41Å; K42-L44 HydrophobicContact CG-CD2 4.06Å; K42-L44 WeakPolarHBondContact O-CD2 3.47Å; L44-L50 HydrophobicContact CD2-CD1 3.9Å; L44-L50 HydrophobicContact CG-CD1 4.49Å; L44-H53 HydrophobicContact CD1-CB 4.43Å; L44-H53 HydrophobicContact CD2-CB 4.33Å; L44-H53 HydrophobicContact CG-CB 4.32Å
45Y94.3Very high94.9Very high139 Ų13954.6 Ų54.655%0.54527%0.27SS..SBendtrans-100.1-19.5-174.9-71.2-112.6000112.9K31 F35 Y80K31-Y45 VanDerWaalsContact NZ-CD1 3.33Å; F35-Y45 WeakPolarHBondContact CD2-O 3.48Å; F35-Y45 VanDerWaalsContact CE2-O 3.32Å; F35-Y45 WeakPolarHBondContact CE2-O 3.48Å; Y45-Y80 HydrophobicContact CD1-CE2 4.24Å
46T94.6Very high95Very high38 Ų3860.6 Ų60.623%0.23330%0.298CS..SBendtrans-143.2159.9-172.561.30000111.6G49 L50T46-G49 PolarHBondContact O-N 3.09Å; T46-G49 PolarHBondContact OG1-N 2.95Å; T46-L50 PolarHBondContact O-N 3.2Å; T46-L50 VanDerWaalsContact O-N 3.14Å
47G93Very high95.1Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-59.3-52.7175.800000113.7F35 G49 L50 A51 T75F35-G47 VanDerWaalsContact CE1-N 3.3Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 2.89Å; G47-L50 WeakPolarHBondContact O-CB 3.38Å; G47-L50 PolarHBondContact O-N 3.45Å; G47-L50 VanDerWaalsContact O-N 3.12Å; G47-A51 PolarHBondContact O-N 2.89Å; G47-A51 VanDerWaalsContact O-N 3.13Å; G47-T75 CarbonylContact C-O 3.47Å
48P94.1Very high95.2Very high23 Ų2363.6 Ų63.615%0.14932%0.319CS..Hα-helixtrans-62.2-36.6177.9-23.131.5000112.1L50 A51 I52 T75 E78P48-L50 VanDerWaalsContact C-N 3.3Å; P48-L50 PolarHBondContact O-N 3.5Å; P48-A51 PolarHBondContact O-N 3.19Å; P48-I52 WeakPolarHBondContact O-CB 3.47Å; P48-I52 VanDerWaalsContact O-CG1 3.28Å; P48-I52 WeakPolarHBondContact O-CG1 3.42Å; P48-I52 PolarHBondContact O-N 2.89Å; P48-T75 WeakPolarHBondContact CA-O 3.4Å; P48-T75 WeakPolarHBondContact CD-O 3.35Å; P48-T75 WeakPolarHBondContact CG-O 3.4Å; P48-E78 HydrophobicContact CG-CG 3.62Å
49G95Very high95.3Very high23 Ų2366.3 Ų66.324%0.23733%0.33CS..Hα-helixtrans-61-37.4176.100000112.9T46 G47 H53T46-G49 PolarHBondContact O-N 3.09Å; T46-G49 PolarHBondContact OG1-N 2.95Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 2.89Å; G49-H53 WeakPolarHBondContact O-CB 3.36Å; G49-H53 PolarHBondContact O-N 3.39Å
50L95.4Very high95.3Very high3 Ų367.4 Ų67.42%0.01633%0.333CS..Hα-helixtrans-66.5-45.8173-17571.2000111.3H34 C37 L44 T46 G47 P48 H53 C54 I62 P66H34-L50 WeakPolarHBondContact O-CD2 3.5Å; C37-L50 HydrophobicContact CB-CD1 4.23Å; L44-L50 HydrophobicContact CD2-CD1 3.9Å; L44-L50 HydrophobicContact CG-CD1 4.49Å; T46-L50 PolarHBondContact O-N 3.2Å; T46-L50 VanDerWaalsContact O-N 3.14Å; G47-L50 WeakPolarHBondContact O-CB 3.38Å; G47-L50 PolarHBondContact O-N 3.45Å; G47-L50 VanDerWaalsContact O-N 3.12Å; P48-L50 VanDerWaalsContact C-N 3.3Å; P48-L50 PolarHBondContact O-N 3.5Å; L50-H53 PolarHBondContact O-N 3.11Å; L50-C54 PolarHBondContact O-N 3.31Å; L50-C54 PolarHBondContact O-SG 3.37Å; L50-C54 VanDerWaalsContact O-SG 3.4Å; L50-I62 HydrophobicContact CB-CD1 4.23Å; L50-I62 HydrophobicContact CD2-CD1 3.81Å; L50-I62 HydrophobicContact CG-CD1 3.6Å; L50-P66 HydrophobicContact CD2-CG 4.37Å
51A95Very high95.1Very high21 Ų2170.3 Ų70.317%0.17435%0.349CS..Hα-helixtrans-60.4-49.6179.800000112.4G47 P48 H53 C54 M55 I62 T75G47-A51 PolarHBondContact O-N 2.89Å; G47-A51 VanDerWaalsContact O-N 3.13Å; P48-A51 PolarHBondContact O-N 3.19Å; A51-H53 VanDerWaalsContact C-N 3.31Å; A51-H53 PolarHBondContact O-N 2.93Å; A51-C54 PolarHBondContact O-N 3.13Å; A51-M55 WeakPolarHBondContact O-CB 3.44Å; A51-M55 PolarHBondContact O-N 3.22Å; A51-I62 VanDerWaalsContact CA-CD1 3.42Å; A51-I62 HydrophobicContact CB-CD1 4.09Å; A51-I62 HydrophobicContact CB-CG1 4.16Å; A51-T75 HydrophobicContact CB-CG2 4.29Å
52I95.4Very high95Very high76 Ų7666.4 Ų66.439%0.3933%0.332SS..Hα-helixtrans-61.7-41.9176.6-65.5166.3000110.4P48 M55 Q56P48-I52 WeakPolarHBondContact O-CB 3.47Å; P48-I52 VanDerWaalsContact O-CG1 3.28Å; P48-I52 WeakPolarHBondContact O-CG1 3.42Å; P48-I52 PolarHBondContact O-N 2.89Å; I52-M55 PolarHBondContact O-N 3.08Å; I52-Q56 HydrophobicContact CG2-CG 3.95Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.4Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.32Å; I52-Q56 PolarHBondContact O-N 3.22Å
53H96.4Very high94.7Very high15 Ų1565.5 Ų65.57%0.06935%0.346CS..Hα-helixtrans-61-48.6178.4167.964.1000112.5C37 C40 L44 G49 L50 A51 M55 V57 H58C37-H53 WeakPolarHBondContact CB-NE2 3.41Å; C37-H53 PolarHBondContact SG-NE2 3.3Å; C37-H53 VanDerWaalsContact SG-NE2 3.4Å; C40-H53 PolarHBondContact SG-CE1 3.32Å; C40-H53 PolarHBondContact SG-NE2 3.48Å; L44-H53 HydrophobicContact CD1-CB 4.43Å; L44-H53 HydrophobicContact CD2-CB 4.33Å; L44-H53 HydrophobicContact CG-CB 4.32Å; G49-H53 WeakPolarHBondContact O-CB 3.36Å; G49-H53 PolarHBondContact O-N 3.39Å; L50-H53 PolarHBondContact O-N 3.11Å; A51-H53 VanDerWaalsContact C-N 3.31Å; A51-H53 PolarHBondContact O-N 2.93Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.18Å; H53-V57 WeakPolarHBondContact ND1-CG2 3.27Å; H53-V57 VanDerWaalsContact O-CB 3.29Å; H53-V57 WeakPolarHBondContact O-CB 3.23Å; H53-V57 WeakPolarHBondContact O-CG2 3.49Å; H53-V57 PolarHBondContact O-N 2.91Å; H53-H58 AromaticContact NE2-CD2 3.98Å; H53-H58 AromaticContact NE2-NE2 3.76Å
54C96.1Very high94.6Very high0 Ų062 Ų620%034%0.338CS..Iπ-helixtrans-60.9-44.7176.6-68.40000111.1L50 A51 H58 K59 E60 I62L50-C54 PolarHBondContact O-N 3.31Å; L50-C54 PolarHBondContact O-SG 3.37Å; L50-C54 VanDerWaalsContact O-SG 3.4Å; A51-C54 PolarHBondContact O-N 3.13Å; C54-H58 CarbonylContact O-C 3.47Å; C54-H58 WeakPolarHBondContact O-CA 3.27Å; C54-H58 WeakPolarHBondContact O-CB 3.09Å; C54-H58 PolarHBondContact O-N 3.48Å; C54-K59 PolarHBondContact O-N 3.46Å; C54-E60 CarbonylContact C-O 3.49Å; C54-E60 VanDerWaalsContact CB-O 3.3Å; C54-E60 WeakPolarHBondContact CB-O 3.42Å; C54-E60 PolarHBondContact O-N 3.42Å; C54-E60 VanDerWaalsContact O-N 3.12Å; C54-I62 HydrophobicContact CB-CD1 4.19Å; C54-I62 HydrophobicContact CB-CG1 4Å
55M95.2Very high94.5Very high99 Ų9960.9 Ų60.949%0.48833%0.332SS..Iπ-helixtrans-66.7-42.9-179.1-174.9176.16500112.2A51 I52 H53 K59 E60A51-M55 WeakPolarHBondContact O-CB 3.44Å; A51-M55 PolarHBondContact O-N 3.22Å; I52-M55 PolarHBondContact O-N 3.08Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.18Å; M55-K59 VanDerWaalsContact O-CA 3.24Å; M55-K59 WeakPolarHBondContact O-CA 3.43Å; M55-K59 PolarHBondContact O-N 3.38Å; M55-E60 WeakPolarHBondContact CA-O 3.12Å; M55-E60 PolarHBondContact N-O 3.2Å
56Q96.9Very high94.3Very high126 Ų12656.5 Ų56.559%0.58932%0.32SS*.Iπ-helixtrans-79-45.6-175.7-70.9-179.2-22.600112.8I52 K59I52-Q56 HydrophobicContact CG2-CG 3.95Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.4Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.32Å; I52-Q56 PolarHBondContact O-N 3.22Å; Q56-K59 PolarHBondContact O-NZ 2.92Å
57V97Very high94.1Very high89 Ų8960.4 Ų60.454%0.53934%0.34SS..Iπ-helixtrans-84.6-41.6-173.1-1800000111.3H53H53-V57 WeakPolarHBondContact ND1-CG2 3.27Å; H53-V57 VanDerWaalsContact O-CB 3.29Å; H53-V57 WeakPolarHBondContact O-CB 3.23Å; H53-V57 WeakPolarHBondContact O-CG2 3.49Å; H53-V57 PolarHBondContact O-N 2.91Å
58H96.5Very high94.1Very high56 Ų5661.7 Ų61.726%0.25935%0.349SS..Iπ-helixtrans-107.7-9.5-172.6-61-68.1000113.8L39 C40 H53 C54 E60L39-H58 HydrophobicContact CD1-CB 3.32Å; C40-H58 PolarHBondContact SG-NE2 3.22Å; C40-H58 VanDerWaalsContact SG-NE2 3.38Å; H53-H58 AromaticContact NE2-CD2 3.98Å; H53-H58 AromaticContact NE2-NE2 3.76Å; C54-H58 CarbonylContact O-C 3.47Å; C54-H58 WeakPolarHBondContact O-CA 3.27Å; C54-H58 WeakPolarHBondContact O-CB 3.09Å; C54-H58 PolarHBondContact O-N 3.48Å; H58-E60 HydrophobicContact CB-CB 4.19Å; H58-E60 HydrophobicContact CB-CG 4.11Å; H58-E60 PolarHBondContact O-N 2.9Å
59K95.8Very high94Very high164 Ų16463.3 Ų63.371%0.71336%0.358SS*.  trans59.431.8-172.9-55.3-67-178-69.10112.2C54 M55 Q56C54-K59 PolarHBondContact O-N 3.46Å; M55-K59 VanDerWaalsContact O-CA 3.24Å; M55-K59 WeakPolarHBondContact O-CA 3.43Å; M55-K59 PolarHBondContact O-N 3.38Å; Q56-K59 PolarHBondContact O-NZ 2.92Å
60E93.6Very high93.7Very high100 Ų10068.6 Ų68.647%0.46739%0.386SS..  trans-114.6130.5-178.2-74.9-70164.600110.5L39 C54 M55 H58L39-E60 HydrophobicContact CD1-CB 4.05Å; L39-E60 HydrophobicContact CD1-CG 3.75Å; C54-E60 CarbonylContact C-O 3.49Å; C54-E60 VanDerWaalsContact CB-O 3.3Å; C54-E60 WeakPolarHBondContact CB-O 3.42Å; C54-E60 PolarHBondContact O-N 3.42Å; C54-E60 VanDerWaalsContact O-N 3.12Å; M55-E60 WeakPolarHBondContact CA-O 3.12Å; M55-E60 PolarHBondContact N-O 3.2Å; H58-E60 HydrophobicContact CB-CB 4.19Å; H58-E60 HydrophobicContact CB-CG 4.11Å; H58-E60 PolarHBondContact O-N 2.9Å
61T92.8Very high93.3Very high117 Ų11775.4 Ų75.472%0.71842%0.423SS*.  trans-99.3122.5179.9-58.10000110
62I91.8Very high93Very high31 Ų3175.9 Ų75.916%0.15942%0.42CS..  trans-99.9114.9174.429.6166.2000110.5L50 A51 C54 S64L50-I62 HydrophobicContact CB-CD1 4.23Å; L50-I62 HydrophobicContact CD2-CD1 3.81Å; L50-I62 HydrophobicContact CG-CD1 3.6Å; A51-I62 VanDerWaalsContact CA-CD1 3.42Å; A51-I62 HydrophobicContact CB-CD1 4.09Å; A51-I62 HydrophobicContact CB-CG1 4.16Å; C54-I62 HydrophobicContact CB-CD1 4.19Å; C54-I62 HydrophobicContact CB-CG1 4Å; I62-S64 VanDerWaalsContact C-N 3.34Å
63A90.4Very high92.7Very high98 Ų9872.4 Ų72.481%0.8140%0.403SS*.SBendtrans-73.7-24.7178.300000113.3
64S92.7Very high92.4Very high55 Ų5574.4 Ų74.439%0.38542%0.418SS..SBendtrans-152.2152-175.9-176.20000111.2I62 G73I62-S64 VanDerWaalsContact C-N 3.34Å; S64-G73 WeakPolarHBondContact CA-O 3.4Å; S64-G73 WeakPolarHBondContact OG-CA 3.39Å; S64-G73 PolarHBondContact OG-O 2.88Å
65I92.6Very high92.2Very high5 Ų575.4 Ų75.43%0.02643%0.425CS..  trans-67.6131.8178-69.3167.4000109.7Y15 H34 F35 S68 G73 S74 T75Y15-I65 HydrophobicContact CD1-CB 4.46Å; Y15-I65 HydrophobicContact CD1-CD1 4.03Å; Y15-I65 HydrophobicContact CD1-CG2 4.14Å; Y15-I65 HydrophobicContact CE1-CB 4.45Å; Y15-I65 HydrophobicContact CE1-CD1 3.21Å; Y15-I65 HydrophobicContact CE1-CG1 4.39Å; Y15-I65 HydrophobicContact CE1-CG2 4.33Å; H34-I65 HydrophobicContact CB-CG2 3.71Å; F35-I65 HydrophobicContact CE1-CD1 4.09Å; I65-S68 PolarHBondContact O-N 2.8Å; I65-S68 PolarHBondContact O-OG 2.8Å; I65-G73 PolarHBondContact N-O 2.81Å; I65-S74 WeakPolarHBondContact CD1-O 3.03Å; I65-T75 HydrophobicContact CG1-CG2 3.89Å
66P90.5Very high92Very high47 Ų4778.9 Ų78.931%0.30544%0.44SS..THydrogen-bonded Turntrans-64.1145.6179.326.9-34.6000111.6H34 L50 S68H34-P66 PolarHBondContact ND1-O 3.09Å; H34-P66 VanDerWaalsContact ND1-O 3.08Å; H34-P66 WeakPolarHBondContact O-CD 3.2Å; H34-P66 WeakPolarHBondContact O-CG 3.36Å; L50-P66 HydrophobicContact CD2-CG 4.37Å; P66-S68 PolarHBondContact O-N 3.24Å
67N90.7Very high91.8Very high121 Ų12175.3 Ų75.365%0.64742%0.424SS*.THydrogen-bonded Turntrans61.919.4178.5-5674.2000114.8H34H34-N67 PolarHBondContact CE1-O 3.23Å; H34-N67 VanDerWaalsContact CE1-O 3.22Å
68S91.9Very high91.6Very high26 Ų2677.2 Ų77.218%0.18243%0.427CS..  trans-87.7158.8172.368.30000112.3Y15 I65 P66 G73Y15-S68 CarbonylContact O-C 3.05Å; Y15-S68 WeakPolarHBondContact O-CA 3.26Å; I65-S68 PolarHBondContact O-N 2.8Å; I65-S68 PolarHBondContact O-OG 2.8Å; P66-S68 PolarHBondContact O-N 3.24Å; S68-G73 WeakPolarHBondContact OG-CA 3.33Å
69V91.4Very high91.4Very high58 Ų5874.5 Ų74.535%0.35242%0.415SS..  trans-62.4142.6165.2176.70000109.1Y15 N71 R72 G73Y15-V69 WeakPolarHBondContact O-CG2 3.45Å; Y15-V69 PolarHBondContact O-N 3.04Å; V69-N71 PolarHBondContact O-N 3.24Å; V69-N71 VanDerWaalsContact O-N 3.08Å; V69-R72 CarbonylContact O-C 3.36Å; V69-R72 PolarHBondContact O-N 2.82Å; V69-G73 PolarHBondContact O-N 3.42Å
70T89.3Confident91.3Very high134 Ų13472 Ų7282%0.82240%0.402SS*.THydrogen-bonded Turntrans-51.7-35.8-175.1-48.60000113.8
71N87.1Confident91.2Very high146 Ų14667.3 Ų67.378%0.78138%0.379SS*.THydrogen-bonded Turntrans-88.2-4.4-179.5-66.8-37.6000114.4V69V69-N71 PolarHBondContact O-N 3.24Å; V69-N71 VanDerWaalsContact O-N 3.08Å
72R87.8Confident91.1Very high30 Ų3064.4 Ų64.411%0.11336%0.358CS..SBendtrans-133.837.1-173.1-61.9-165-52.6-162.43.1111.7W14 Y15 N17 V69 D89W14-R72 HydrophobicContact CD2-CB 4.07Å; W14-R72 HydrophobicContact CD2-CG 4.46Å; W14-R72 HydrophobicContact CE3-CB 3.9Å; W14-R72 VanDerWaalsContact CH2-CA 3.48Å; W14-R72 HydrophobicContact CH2-CB 3.53Å; W14-R72 HydrophobicContact CH2-CG 3.97Å; W14-R72 HydrophobicContact CZ2-CB 3.69Å; W14-R72 HydrophobicContact CZ2-CG 3.63Å; W14-R72 VanDerWaalsContact CZ3-C 3.48Å; W14-R72 HydrophobicContact CZ3-CB 3.66Å; W14-R72 WeakPolarHBondContact CZ3-O 3.48Å; W14-R72 PolarHBondContact O-NE 2.89Å; W14-R72 PolarHBondContact O-NH2 3.01Å; Y15-R72 VanDerWaalsContact CD1-O 3.27Å; Y15-R72 WeakPolarHBondContact CD1-O 3.29Å; N17-R72 PolarHBondContact ND2-NH2 2.97Å; N17-R72 PolarHBondContact OD1-NH2 3.38Å; V69-R72 CarbonylContact O-C 3.36Å; V69-R72 PolarHBondContact O-N 2.82Å; R72-D89 WeakPolarHBondContact CD-OD1 3.22Å; R72-D89 IonicContact NH1-OD1 2.88Å; R72-D89 PolarHBondContact NH1-OD1 3.08Å
73G90.1Very high91.1Very high4 Ų470 Ų704%0.04138%0.384CS..  trans-103.73.5-179.200000115.1S64 I65 S68 V69 T75S64-G73 WeakPolarHBondContact CA-O 3.4Å; S64-G73 WeakPolarHBondContact OG-CA 3.39Å; S64-G73 PolarHBondContact OG-O 2.88Å; I65-G73 PolarHBondContact N-O 2.81Å; S68-G73 WeakPolarHBondContact OG-CA 3.33Å; V69-G73 PolarHBondContact O-N 3.42Å; G73-T75 PolarHBondContact O-N 2.82Å
74S91Very high91.1Very high56 Ų5667.6 Ų67.639%0.39237%0.369SS..  trans-58.6125.9-176.1-51.30000111.6I65 E76I65-S74 WeakPolarHBondContact CD1-O 3.03Å; S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 3.05Å
75T91.3Very high91.1Very high22 Ų2265.6 Ų65.614%0.13535%0.354CS..THydrogen-bonded Turntrans-76.2-13.4177.948.40000113G47 P48 A51 I65 G73G47-T75 CarbonylContact C-O 3.47Å; P48-T75 WeakPolarHBondContact CA-O 3.4Å; P48-T75 WeakPolarHBondContact CD-O 3.35Å; P48-T75 WeakPolarHBondContact CG-O 3.4Å; A51-T75 HydrophobicContact CB-CG2 4.29Å; I65-T75 HydrophobicContact CG1-CG2 3.89Å; G73-T75 PolarHBondContact O-N 2.82Å
76E91.4Very high91Very high172 Ų17267.5 Ų67.580%0.80437%0.366SS*.THydrogen-bonded Turntrans-80.6-22.9-176.7-62.5176.6172.700113.3S74 E78S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 3.05Å; E76-E78 PolarHBondContact O-N 2.98Å
77I91.7Very high90.9Very high51 Ų5173.4 Ų73.426%0.26239%0.39SS..SBendtrans-85.4117.8-176.6-52.1175.8000109.3W14 I79 P86W14-I77 HydrophobicContact CH2-CD1 3.71Å; W14-I77 HydrophobicContact CZ2-CD1 4.13Å; I77-I79 HydrophobicContact CG2-CD1 4.1Å; I77-I79 HydrophobicContact CG2-CG1 3.81Å; I77-I79 PolarHBondContact O-N 2.88Å; I77-P86 HydrophobicContact CD1-CG 4.46Å
78E93Very high90.9Very high128 Ų12871.5 Ų71.560%0.59839%0.391SS*.  trans-83.499.8178.1-69-171.4170.200111.1P48 E76 G84P48-E78 HydrophobicContact CG-CG 3.62Å; E76-E78 PolarHBondContact O-N 2.98Å; E78-G84 WeakPolarHBondContact O-CA 3.4Å
79I93.1Very high90.9Very high0 Ų072.2 Ų72.20%039%0.393CS..  trans-110.4126177.1-56.5178.6000109.6W14 Y15 I77 E83 I85W14-I79 HydrophobicContact CB-CD1 3.75Å; W14-I79 HydrophobicContact CD2-CD1 3.32Å; W14-I79 HydrophobicContact CE3-CD1 3.21Å; W14-I79 HydrophobicContact CG-CD1 3.59Å; W14-I79 HydrophobicContact CZ3-CD1 3.9Å; Y15-I79 HydrophobicContact CE2-CB 4.46Å; I77-I79 HydrophobicContact CG2-CD1 4.1Å; I77-I79 HydrophobicContact CG2-CG1 3.81Å; I77-I79 PolarHBondContact O-N 2.88Å; I79-E83 WeakPolarHBondContact CA-O 3.33Å; I79-I85 HydrophobicContact CD1-CG1 4.33Å; I79-I85 HydrophobicContact CG2-CD1 4.47Å; I79-I85 HydrophobicContact CG2-CG1 3.75Å
80Y93Very high90.8Very high112 Ų11272.5 Ų72.544%0.43939%0.392SS..BIsolated β-bridgetrans-127.9105.9174-176.2-91.3000109.9V27 Y45 M82 E83V27-Y80 HydrophobicContact CG1-CE2 3.93Å; V27-Y80 HydrophobicContact CG2-CD1 4.43Å; V27-Y80 HydrophobicContact CG2-CE1 4.09Å; Y45-Y80 HydrophobicContact CD1-CE2 4.24Å; Y80-M82 PolarHBondContact O-N 3.38Å; Y80-E83 PolarHBondContact N-O 2.93Å; Y80-E83 WeakPolarHBondContact O-CB 3.47Å; Y80-E83 PolarHBondContact O-N 2.94Å
81G92.3Very high90.7Very high0 Ų073.6 Ų73.60%039%0.385CS..THydrogen-bonded Turntrans62.5-120.6-172.500000109.8D23 Q30D23-G81 WeakPolarHBondContact OD2-CA 3.28Å; Q30-G81 PolarHBondContact NE2-O 3.4Å; Q30-G81 VanDerWaalsContact NE2-O 3.11Å
82M90.2Very high90.8Very high56 Ų5669.4 Ų69.428%0.27637%0.371SS..THydrogen-bonded Turntrans-91.5-12.4170.7-64.3-166.771.500114.9P11 D23 L26 Y80P11-M82 HydrophobicContact CB-CG 3.96Å; P11-M82 HydrophobicContact CB-SD 3.75Å; D23-M82 PolarHBondContact OD2-N 3.06Å; L26-M82 HydrophobicContact CD2-CG 4.15Å; Y80-M82 PolarHBondContact O-N 3.38Å
83E92.3Very high90.8Very high150 Ų15069 Ų6970%0.70137%0.37SS*.BIsolated β-bridgetrans-75.3137.3179.4-61-76.8117.900110I79 Y80I79-E83 WeakPolarHBondContact CA-O 3.33Å; Y80-E83 PolarHBondContact N-O 2.93Å; Y80-E83 WeakPolarHBondContact O-CB 3.47Å; Y80-E83 PolarHBondContact O-N 2.94Å
84G90.7Very high90.7Very high47 Ų4772.6 Ų72.649%0.48539%0.386SS..THydrogen-bonded Turntrans85.40.3178.400000115.9E78E78-G84 WeakPolarHBondContact O-CA 3.4Å
85I91.3Very high90.5Very high13 Ų1373 Ų737%0.06739%0.392CS..  trans-69.4128.1172.1-62.2178.2000109.4W12 W14 I79 E87 D89 L90W12-I85 HydrophobicContact CZ2-CD1 4.49Å; W12-I85 HydrophobicContact CZ2-CG2 4.3Å; W14-I85 HydrophobicContact CB-CD1 4.26Å; W14-I85 HydrophobicContact CB-CG1 4.25Å; W14-I85 HydrophobicContact CG-CG2 4.39Å; I79-I85 HydrophobicContact CD1-CG1 4.33Å; I79-I85 HydrophobicContact CG2-CD1 4.47Å; I79-I85 HydrophobicContact CG2-CG1 3.75Å; I85-E87 PolarHBondContact O-N 3.03Å; I85-D89 HydrophobicContact CG2-CB 4.18Å; I85-L90 HydrophobicContact CG2-CB 4.28Å
86P90.8Very high90.3Very high44 Ų4474.3 Ų74.329%0.28641%0.406SS..  trans-53133.2175.3-26.434000112.4W14 I77 A88 D89 L90W14-P86 HydrophobicContact CZ2-CG 4.42Å; I77-P86 HydrophobicContact CD1-CG 4.46Å; P86-A88 PolarHBondContact O-N 3.1Å; P86-A88 VanDerWaalsContact O-N 3.11Å; P86-D89 PolarHBondContact O-N 3.36Å; P86-L90 PolarHBondContact O-N 3.02Å; P86-L90 VanDerWaalsContact O-N 3.1Å
87E89.6Confident89.9Confident172 Ų17268 Ų6880%0.80438%0.379SS*.Hα-helixtrans-57.3-32.8-175.2-63.9-172.3162.300113.1I85 L90 K91I85-E87 PolarHBondContact O-N 3.03Å; E87-L90 PolarHBondContact O-N 3.11Å; E87-K91 WeakPolarHBondContact O-CB 3.45Å; E87-K91 PolarHBondContact O-N 2.93Å
88A90.5Very high89.3Confident81 Ų8168.5 Ų68.567%0.66938%0.382SS*.Hα-helixtrans-61-45.5176.400000112.2P86 A92P86-A88 PolarHBondContact O-N 3.1Å; P86-A88 VanDerWaalsContact O-N 3.11Å; A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 2.95Å
89D90.6Very high88.3Confident41 Ų4164.7 Ų64.722%0.21938%0.377CS..Hα-helixtrans-68.6-39.3176.4-83.8-68.8000111.6W14 R72 I85 P86 A92 H93W14-D89 PolarHBondContact NE1-OD2 3.48Å; R72-D89 WeakPolarHBondContact CD-OD1 3.22Å; R72-D89 IonicContact NH1-OD1 2.88Å; R72-D89 PolarHBondContact NH1-OD1 3.08Å; I85-D89 HydrophobicContact CG2-CB 4.18Å; P86-D89 PolarHBondContact O-N 3.36Å; D89-A92 PolarHBondContact O-N 3.42Å; D89-H93 WeakPolarHBondContact O-CB 3.23Å; D89-H93 PolarHBondContact O-N 2.96Å
90L89.5Confident86.9Confident64 Ų6472.6 Ų72.634%0.33541%0.411SS..Hα-helixtrans-62.4-45.5-180-166142.2000110.8I85 P86 E87 H93 E94I85-L90 HydrophobicContact CG2-CB 4.28Å; P86-L90 PolarHBondContact O-N 3.02Å; P86-L90 VanDerWaalsContact O-N 3.1Å; E87-L90 PolarHBondContact O-N 3.11Å; L90-H93 PolarHBondContact O-N 2.66Å; L90-E94 PolarHBondContact O-N 3.26Å
91K88.1Confident85.3Confident156 Ų15672.5 Ų72.568%0.67842%0.423SS*.Hα-helixtrans-66.7-41.2175.5-173.4176.7-178.7178.80112.4E87 H93 E94 A95E87-K91 WeakPolarHBondContact O-CB 3.45Å; E87-K91 PolarHBondContact O-N 2.93Å; K91-H93 VanDerWaalsContact C-N 3.34Å; K91-E94 PolarHBondContact O-N 2.92Å; K91-A95 WeakPolarHBondContact O-CB 3.35Å; K91-A95 PolarHBondContact O-N 3.49Å
92A89.6Confident83.4Confident58 Ų5879.7 Ų79.748%0.47946%0.458SS..Hα-helixtrans-62.5-41.6176.700000111.6A88 D89 A95 A96A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 2.95Å; D89-A92 PolarHBondContact O-N 3.42Å; A92-A95 PolarHBondContact O-N 2.96Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.44Å
93H87.8Confident81.5Confident22 Ų2280 Ų8010%0.10247%0.469CS..Hα-helixtrans-66.7-45.4176.1-171.9-86.4000111.7W12 D89 L90 K91 A95 A96 V97W12-H93 AromaticContact CD1-CE1 3.47Å; W12-H93 VanDerWaalsContact CD1-CE1 3.47Å; W12-H93 AromaticContact CD1-CG 3.89Å; W12-H93 AromaticContact CD1-ND1 3.46Å; W12-H93 AromaticContact CD1-NE2 3.93Å; W12-H93 AromaticContact CD2-CD2 3.43Å; W12-H93 VanDerWaalsContact CD2-CD2 3.43Å; W12-H93 AromaticContact CD2-CE1 3.88Å; W12-H93 AromaticContact CD2-CG 3.77Å; W12-H93 AromaticContact CD2-NE2 3.53Å; W12-H93 AromaticContact CE2-CD2 3.61Å; W12-H93 AromaticContact CE2-CG 3.48Å; W12-H93 VanDerWaalsContact CE2-CG 3.48Å; W12-H93 AromaticContact CE2-ND1 3.89Å; W12-H93 AromaticContact CE3-CD2 3.66Å; W12-H93 AromaticContact CE3-NE2 3.88Å; W12-H93 AromaticContact CG-CD2 3.85Å; W12-H93 AromaticContact CG-CE1 3.43Å; W12-H93 VanDerWaalsContact CG-CE1 3.43Å; W12-H93 AromaticContact CG-ND1 3.81Å; W12-H93 AromaticContact CG-NE2 3.47Å; W12-H93 HydrophobicContact CH2-CB 4.39Å; W12-H93 HydrophobicContact CZ2-CB 3.74Å; W12-H93 AromaticContact CZ2-CG 3.9Å; W12-H93 AromaticContact NE1-CE1 3.95Å; W12-H93 AromaticContact NE1-CG 3.56Å; W12-H93 AromaticContact NE1-ND1 3.51Å; D89-H93 WeakPolarHBondContact O-CB 3.23Å; D89-H93 PolarHBondContact O-N 2.96Å; L90-H93 PolarHBondContact O-N 2.66Å; K91-H93 VanDerWaalsContact C-N 3.34Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.89Å; H93-A96 PolarHBondContact O-N 3.19Å; H93-V97 WeakPolarHBondContact CE1-CG2 3.29Å; H93-V97 WeakPolarHBondContact O-CG2 3.31Å; H93-V97 PolarHBondContact O-N 3.4Å
94E87.1Confident79.1Confident79 Ų7978.9 Ų78.937%0.36948%0.475SS..Hα-helixtrans-58.4-44.2175.9-173.8-179.4172.700111.5V9 L90 K91 L98V9-E94 HydrophobicContact CG2-CG 4.12Å; L90-E94 PolarHBondContact O-N 3.26Å; K91-E94 PolarHBondContact O-N 2.92Å; E94-L98 VanDerWaalsContact O-CB 3.23Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.94Å
95A87Confident77Confident64 Ų6480 Ų8053%0.52949%0.487SS..Hα-helixtrans-63.1-41.8176.100000112.1K91 A92 H93 G99K91-A95 WeakPolarHBondContact O-CB 3.35Å; K91-A95 PolarHBondContact O-N 3.49Å; A92-A95 PolarHBondContact O-N 2.96Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.89Å; A95-G99 PolarHBondContact O-N 2.8Å
96A86.5Confident75.2Confident51 Ų5185.6 Ų85.642%0.42152%0.521SS..Hα-helixtrans-66.2-43.3178.700000112.5A92 H93 K100A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.44Å; H93-A96 PolarHBondContact O-N 3.19Å; A96-K100 WeakPolarHBondContact O-CB 3.48Å; A96-K100 VanDerWaalsContact O-CG 3.29Å; A96-K100 WeakPolarHBondContact O-CG 3.35Å; A96-K100 PolarHBondContact O-N 2.86Å; A96-K100 VanDerWaalsContact O-N 3.07Å
97V83Confident73.6Confident38 Ų3888 Ų8823%0.2354%0.537CS..Hα-helixtrans-68.6-42.7178.6174.40000110.9H93 K100 T101H93-V97 WeakPolarHBondContact CE1-CG2 3.29Å; H93-V97 WeakPolarHBondContact O-CG2 3.31Å; H93-V97 PolarHBondContact O-N 3.4Å; V97-K100 PolarHBondContact O-N 3.34Å; V97-T101 PolarHBondContact O-N 3.3Å; V97-T101 VanDerWaalsContact O-N 3.08Å; V97-T101 PolarHBondContact O-OG1 2.88Å
98L78.4Confident71.5Confident62 Ų6286.2 Ų86.233%0.32554%0.54SS..Hα-helixtrans-67.5-40.4178.3-17464.2000111.8K7 E94 K100 T101 M102K7-L98 HydrophobicContact CD-CD1 4.4Å; K7-L98 VanDerWaalsContact NZ-CD2 3.29Å; E94-L98 VanDerWaalsContact O-CB 3.23Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.94Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3Å; L98-T101 PolarHBondContact O-N 3.08Å; L98-M102 PolarHBondContact O-N 3.49Å
99G72.4Confident69.6Low49 Ų4990.3 Ų90.351%0.50555%0.547SS..Hα-helixtrans-62.4-39.3175.600000112.7A95A95-G99 PolarHBondContact O-N 2.8Å
100K64.6Low67.4Low165 Ų16593.9 Ų93.972%0.71758%0.575SS**Hα-helixtrans-67.8-36.2175.5-76175.4174.8-165.30113.1A96 V97 L98 M102 A103A96-K100 WeakPolarHBondContact O-CB 3.48Å; A96-K100 VanDerWaalsContact O-CG 3.29Å; A96-K100 WeakPolarHBondContact O-CG 3.35Å; A96-K100 PolarHBondContact O-N 2.86Å; A96-K100 VanDerWaalsContact O-N 3.07Å; V97-K100 PolarHBondContact O-N 3.34Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3Å; K100-M102 PolarHBondContact O-N 3.4Å; K100-A103 PolarHBondContact O-N 3.07Å
101T57.9Low65.3Low111 Ų11195.3 Ų95.368%0.68160%0.596SS**Hα-helixtrans-71.9-18.7-176.9-52.50000112.6V97 L98V97-T101 PolarHBondContact O-N 3.3Å; V97-T101 VanDerWaalsContact O-N 3.08Å; V97-T101 PolarHBondContact O-OG1 2.88Å; L98-T101 PolarHBondContact O-N 3.08Å
102M53.4Low63.2Low151 Ų15191.9 Ų91.974%0.74461%0.605SS**THydrogen-bonded Turntrans-92.7-1.7176.5-70.1-178.1154.600114.2L98 K100 P104L98-M102 PolarHBondContact O-N 3.49Å; K100-M102 PolarHBondContact O-N 3.4Å; M102-P104 WeakPolarHBondContact O-CD 3.35Å
103A49.9Very low61.9Low62 Ų6296.3 Ų96.351%0.51262%0.62SS.*  trans-111.694.717700000110.6K100 G105K100-A103 PolarHBondContact O-N 3.07Å; A103-G105 PolarHBondContact O-N 2.95Å
104P42.8Very low60.8Low127 Ų127100.2 Ų100.283%0.82565%0.647SS**  trans-71.7112.4168.128.7-28.1000109M102M102-P104 WeakPolarHBondContact O-CD 3.35Å
105G45Very low59Low70 Ų70103 Ų10372%0.72267%0.671SS**  trans8553.1145.500000119.3A103A103-G105 PolarHBondContact O-N 2.95Å
106V55.2Low57.5Low131 Ų131106.5 Ų106.579%0.79469%0.686SS**  trans-124.2112.5157.2-67.80000110.9
107P56.3Low55.7Low95 Ų95108.9 Ų108.962%0.61771%0.706SS**  trans-63.3158.4168.127.7-31.7000109.5M109P107-M109 PolarHBondContact O-N 3.32Å
108P46.5Very low54.1Low133 Ų133110.3 Ų110.386%0.86473%0.728SS**  trans-72.781.7179.932.3-32.1000108.4S110P108-S110 PolarHBondContact O-N 3.28Å
109M49.4Very low52.9Low167 Ų167116 Ų11682%0.82375%0.753SS**  trans-78.1100.3165.2-76.9-171.514600107.3P107P107-M109 PolarHBondContact O-N 3.32Å
110S45.8Very low52.2Low116 Ų116122 Ų12281%0.81177%0.768SS**  trans-0.7119.3137.7-51.60000114.6P108P108-S110 PolarHBondContact O-N 3.28Å
111A45.1Very low51.2Low94 Ų94119 Ų11978%0.77777%0.766SS**  trans152.777.5144.400000110.8
112G43.2Very low51.3Low84 Ų84119.5 Ų119.587%0.86677%0.773SS**  trans-103.770162.400000109.7
113I63.1Low51.3Low152 Ų152118.5 Ų118.578%0.77978%0.778SS**  trans-94.8125.9167.2-57.6177.4000106.5
114P63.3Low51.4Low104 Ų104119.9 Ų119.968%0.67579%0.79SS**  trans-67.9152.1-17928.5-34.1000111.5V116P114-V116 PolarHBondContact O-N 3.42Å; P114-V116 VanDerWaalsContact O-N 3.14Å
115P50.2Low52.1Low136 Ų136124.6 Ų124.688%0.88379%0.791SS**  trans-75.7106.5-176.531.1-31.4000109.6
116V55Low53Low139 Ų139129 Ų12984%0.84279%0.793SS**  trans-97.2111164.564.30000108.6P114P114-V116 PolarHBondContact O-N 3.42Å; P114-V116 VanDerWaalsContact O-N 3.14Å
117A48.3Very low52.6Low101 Ų101128.2 Ų128.284%0.83579%0.79SS**  trans-64.2137.8166.400000109.6
118G50.4Low52.3Low67 Ų67127.5 Ų127.569%0.69180%0.8SS**  trans139.9105.1161.800000115.5
119Q53.9Low53.1Low181 Ų181129.7 Ų129.785%0.84680%0.801SS**  trans57.1107.5140.2-103.397.75900120.8
120Q56.3Low53.4Low177 Ų177127 Ų12783%0.82780%0.796SS**  78.7143.1123.7-100.7-153.6-104.600122.2
121P44.7Very low54Low102 Ų102126.7 Ų126.766%0.66279%0.794SS**  trans-99.3151.7-171.138.5-30.4000112.9
122S59.3Low55Low120 Ų120128.2 Ų128.284%0.83980%0.796SS**  trans-163.7131.1156.9-73.50000110.3
123P53.2Low55.7Low131 Ų131132 Ų13285%0.85180%0.795SS**  trans-103.2133.5176.635.8-26.4000111.8
124A52.9Low55.6Low91 Ų91131.4 Ų131.475%0.75280%0.798SS**  trans-167.8116.9161.400000108.2
125R56.4Low56Low226 Ų226132 Ų13285%0.85380%0.802SS**  56.2121.6103.1-92.7179.3129.2176.8-3.1111.7
126Q63.7Low56.1Low162 Ų162131.2 Ų131.276%0.75780%0.797SS**  cis-174.1177.735-106.5-142.8-68.700110.6
127P47.8Very low56.4Low115 Ų115130.3 Ų130.375%0.74780%0.797SS**  trans-102.1159.9-152.339.3-33.5000115.1
128G49.9Very low57.2Low79 Ų79131.4 Ų131.481%0.81479%0.793SS**  trans-165.6119.6171.900000113.8
129M64.1Low57.9Low179 Ų179135.1 Ų135.188%0.88280%0.802SS**  trans-64.8-167.7179.2-61.9-1687700114.5
130P54.1Low57.8Low111 Ų111132 Ų13272%0.72180%0.797SS**  cis-134164-11.31610.2000115.7
131S58.1Low57.9Low110 Ų110127.4 Ų127.477%0.76980%0.797SS**PPolyproline II helixtrans-79152.1167.7-55.60000113.2
132P66.6Low58.9Low126 Ų126131.1 Ų131.182%0.81881%0.808SS**PPolyproline II helixtrans-97.2145.7160.19.99.4000112.9
133L59.2Low58.7Low164 Ų164130.9 Ų130.986%0.85980%0.803SS**PPolyproline II helixtrans-61149.1-175-77.458.6000114.6
134V61.2Low58.8Low139 Ų139129.2 Ų129.284%0.84280%0.801SS**  trans-104.7131.6155.2-69.20000109
135P70.2Confident59.1Low115 Ų115130 Ų13075%0.74781%0.808SS**  trans-89.9151.1169.831.6-29.3000112
136P52.8Low59.1Low121 Ų121123 Ų12379%0.78681%0.805SS**  trans-90.7136.3-179.235-29.1000110.9
137S62.2Low59.3Low119 Ų119121.8 Ų121.883%0.83281%0.809SS**  trans-128.3117.2170.2-71.50000111.9
138V64.3Low59.9Low125 Ų125121.8 Ų121.876%0.75881%0.809SS**  trans-51.4139.8173.7-1530000112.7P140V138-P140 HydrophobicContact CG1-CG 3.97Å
139V64.5Low60.8Low144 Ų144123 Ų12387%0.87380%0.802SS**  trans-128.8110.6159-68.40000110.4
140P53.3Low60.7Low116 Ų116122.8 Ų122.875%0.75380%0.802SS**  trans-107.9140.4162-2.123.1000111.3V138V138-P140 HydrophobicContact CG1-CG 3.97Å
141G57.6Low61.1Low80 Ų80125.2 Ų125.283%0.82581%0.805SS**  trans141.4102.6159.200000116.4
142M65.1Low60.9Low180 Ų180125.6 Ų125.689%0.88781%0.808SS**  trans-70.3-168.5161.2-52.1175.465.900110.4
143P54.8Low60.3Low115 Ų115123.1 Ų123.175%0.74780%0.798SS**  cis-140.9-177.5-2.332.3-7.4000116.2
144A55.2Low60.4Low97 Ų97125.9 Ų125.980%0.80280%0.799SS**  trans-28.3149.1166.100000119.7
145A59.2Low60.4Low108 Ų108124.6 Ų124.689%0.89379%0.793SS**  160.5145.1120.900000111
146G57.2Low59.7Low78 Ų78123.1 Ų123.180%0.80479%0.791SS**  trans137.889.915700000115.5
147T67.3Low59.7Low136 Ų136122.6 Ų122.683%0.83479%0.79SS**PPolyproline II helixtrans-63.8155.3165.238.20000112.6
148P60.3Low59.2Low115 Ų115122.3 Ų122.375%0.74779%0.788SS**PPolyproline II helixtrans-89.8144-179.634.4-32.3000112.7
149P69.6Low58.9Low104 Ų104122.2 Ų122.268%0.67579%0.788SS**PPolyproline II helixtrans-91.7132.4168.732.7-29.8000112.8
150M62.7Low58.2Low175 Ų175125.8 Ų125.886%0.86279%0.787SS**PPolyproline II helixtrans-57.8141.4156.443.3-86.5157.600113
151M62.1Low58.1Low163 Ų163128.6 Ų128.680%0.80379%0.79SS**  trans-152.3111.4163.155.2-139.4-83.500108.2
152S54.5Low58.3Low117 Ų117131.4 Ų131.482%0.81879%0.791SS**  69.595.497.5-56.90000111.4
153A52.3Low57.9Low75 Ų75127.6 Ų127.662%0.6278%0.782SS**  75.1125.27200000114.9
154Y62.4Low58.2Low222 Ų222128.6 Ų128.687%0.87179%0.789SS**  trans89160.9157.7-48.9-68.9000119.2
155P59.9Low58Low111 Ų111127.2 Ų127.272%0.72178%0.784SS**  -139.3179.8-77.738.9-19000114
156A55.5Low57.9Low85 Ų85126.9 Ų126.970%0.70278%0.781SS**  trans52.1126.4143.700000122.7
157S53.6Low57.9Low109 Ų109129.9 Ų129.976%0.76278%0.784SS**  trans65.8114138.657.60000119.8
158S52.8Low57.3Low113 Ų113127.8 Ų127.879%0.7978%0.775SS**  trans-157.9113.1131.2-82.10000110.4
159T56.5Low57.3Low124 Ų124130.3 Ų130.376%0.76178%0.781SS**  trans-45.8133.1164.1-56.90000112.2
160Y49.5Very low56.8Low219 Ų219132 Ų13286%0.85979%0.785SS**  trans-140.3118.2149.9-88.1-77.3000110.6
161Q52.8Low56.5Low174 Ų174128.8 Ų128.881%0.81378%0.775SS**  trans-60.3141.6168-73.2-171.9-96.300110.8
162V60.2Low56.2Low140 Ų140129.4 Ų129.485%0.84877%0.773SS**  trans-103.5115.3164.1174.20000108.1
163S57.2Low56.5Low100 Ų100134.2 Ų134.270%0.69977%0.773SS**  trans-91137163.2-64.90000108.8G165S163-G165 PolarHBondContact O-N 3.22Å
164P60.6Low56.7Low135 Ų135137.4 Ų137.488%0.87778%0.779SS**  trans-85.8112.4174.831.6-27.3000109.5
165G52.6Low56.5Low68 Ų68132.5 Ų132.570%0.70177%0.767SS**  trans-133110178.200000111.9S163S163-G165 PolarHBondContact O-N 3.22Å
166A55.9Low56.3Low102 Ų102131.8 Ų131.884%0.84376%0.764SS**  trans3996.4153.200000118.6S168A166-S168 PolarHBondContact O-N 2.73Å
167V57.7Low56.5Low140 Ų140133 Ų13385%0.84876%0.762SS**  trans-79.7103.4159.4-174.30000108.3
168S55Low56.7Low93 Ų93137.6 Ų137.665%0.6576%0.764SS**  trans-64.8137.1175.3-1780000111.8A166 N170A166-S168 PolarHBondContact O-N 2.73Å; S168-N170 PolarHBondContact O-N 3.21Å
169L60.4Low57Low167 Ų167136.9 Ų136.987%0.87476%0.76SS**G310 helixtrans-62.512.5-171.2-102.396.4000117.1
170N59.2Low57Low141 Ų141140.7 Ų140.775%0.75476%0.761SS**G310 helixtrans-93.31.8-167.9-116.24.8000116.1S168S168-N170 PolarHBondContact O-N 3.21Å
171T56.8Low57.6Low106 Ų106135.3 Ų135.365%0.6576%0.756SS**G310 helixtrans-91.1-10.1-179-35.80000113.6R173T171-R173 PolarHBondContact O-N 3.14Å
172F55.3Low57.8Low176 Ų176136.6 Ų136.677%0.77276%0.759SS**Hα-helixtrans-78.3-15.3-174.2-117.7-91.6000114.9
173R59.8Low57.9Low219 Ų219141 Ų14183%0.82676%0.761SS**Hα-helixtrans-83.6-19.2-179.9-92.4-171.4166.6-171.7-3.1115.1T171T171-R173 PolarHBondContact O-N 3.14Å
174L56.6Low57.7Low141 Ų141147.5 Ų147.574%0.73879%0.786SS**Hα-helixtrans-78.5-26.3179.1-107.582.4000113.5
175L57.8Low57.6Low119 Ų119148.1 Ų148.162%0.62378%0.782SS**Hα-helixtrans-74.6-26.1-179.7-67173.8000112.9
176C57Low57.8Low97 Ų97152.3 Ų152.366%0.65579%0.786SS**Hα-helixtrans-74.9-27-178.5-151.10000113
177V59.9Low57.9Low109 Ų109155.1 Ų155.166%0.66178%0.783SS**Hα-helixtrans-78.6-28.9179.1-176.50000111.7
178Y56.5Low58Low206 Ų206156 Ų15681%0.80878%0.779SS**Hα-helixtrans-80.9-23.2-178.7-120.1-97.6000114Y180Y178-Y180 VanDerWaalsContact C-N 3.35Å
179S60.5Low58.1Low99 Ų99159.9 Ų159.969%0.69279%0.787SS**THydrogen-bonded Turntrans-81.3-8.5177.7-67.30000114.6
180Y55.9Low58Low203 Ų203159.5 Ų159.580%0.79678%0.781SS**SBendtrans-94.1-15.4-179.2-135.4-92.6000114Y178Y178-Y180 VanDerWaalsContact C-N 3.35Å
181S62.1Low57.9Low106 Ų106160.8 Ų160.874%0.74178%0.783SS**THydrogen-bonded Turntrans-91-1-178.5-85.10000115.4
182F56.1Low58Low201 Ų201165 Ų16588%0.88279%0.793SS**THydrogen-bonded Turntrans-111.618.9-177.9-140.1-94.5000113.6
183R63.9Low58.2Low233 Ų233164.1 Ų164.188%0.87980%0.795SS**  trans-127.227.4-176.6-128.7179.3-164.5-171.23.9114.3
184L52.5Low58.1Low236 Ų236159.1 Ų159.1100%1.23679%0.792SS**  trans-114.10167.2-88.9156.5000109.6

Retrieved 184 of 184 residues in 42 ms (Link to these results)

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