A0A096N751_PAPAN Loading...

DNA damage-induced apoptosis suppressor protein

May be an anti-apoptotic protein involved in DNA repair or cell survival.

AlphaFold DB , UniProt , Accession A0A096N751, Species PAPAN (Papio anubis, Olive baboon), Gene DDIAS, Length 1,004 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
1M30.5Very low72Confident217 Ų217109.5 Ų109.5100%1.06950%0.5SS*.  0114.60-65.417885.600108.3R3M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.35Å
2N35.8Very low73.8Confident169 Ų169100.5 Ų100.590%0.90446%0.459SS*.  trans-8182.2175-72.43.1000109.7R4N2-R4 PolarHBondContact O-N 3.46Å
3R53.6Low75.2Confident137 Ų13799.5 Ų99.552%0.51746%0.458SS..  trans-59.9117.4163.6-75.2-172.5173.8-164.90.2107.3M1 R5 T131 N132M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.35Å; R3-R5 PolarHBondContact O-N 3.38Å; R3-T131 PolarHBondContact NH1-O 2.67Å; R3-N132 PolarHBondContact NH1-OD1 3.11Å
4R60.8Low76.4Confident245 Ų24594.7 Ų94.793%0.92545%0.445SS*.  trans-60.4111.6177.5-67.1-178.3179.2179-0.7108.1N2 K6N2-R4 PolarHBondContact O-N 3.46Å; R4-K6 PolarHBondContact O-N 3.21Å
5R72.8Confident77.5Confident90 Ų9089.5 Ų89.534%0.3442%0.421SS..PPolyproline II helixtrans-63124173.5-55.4177.3-1681632.2107R3 E432R3-R5 PolarHBondContact O-N 3.38Å; R5-E432 IonicContact NH2-OE2 3.64Å
6K84.4Confident78Confident72 Ų7289.9 Ų89.931%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-93124168.8-178.8-174.7163-156.60107.8R4 E65 V130 F133R4-K6 PolarHBondContact O-N 3.21Å; K6-E65 IonicContact NZ-OE1 3.56Å; K6-E65 PolarHBondContact NZ-OE1 3.37Å; K6-E65 IonicContact NZ-OE2 2.69Å; K6-V130 PolarHBondContact N-O 3.03Å; K6-V130 PolarHBondContact O-N 3.45Å; K6-F133 HydrophobicContact CB-CD2 3.87Å; K6-F133 HydrophobicContact CB-CE2 4.4Å; K6-F133 HydrophobicContact CB-CG 4.24Å; K6-F133 HydrophobicContact CD-CD1 4.02Å; K6-F133 HydrophobicContact CD-CD2 3.83Å; K6-F133 HydrophobicContact CD-CE1 3.88Å; K6-F133 HydrophobicContact CD-CE2 3.7Å; K6-F133 HydrophobicContact CD-CG 4.01Å; K6-F133 HydrophobicContact CD-CZ 3.73Å; K6-F133 HydrophobicContact CG-CD2 4.3Å; K6-F133 HydrophobicContact CG-CE2 4.39Å
7F88.9Confident78.2Confident116 Ų11687.2 Ų87.251%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-77.9133.4165.8-63.9-73000110I127 F128F7-I127 HydrophobicContact CB-CG2 4.05Å; F7-I127 HydrophobicContact CD1-CG2 4Å; F7-I127 HydrophobicContact CG-CG2 4.4Å; F7-F128 CarbonylContact C-O 3.58Å; F7-F128 WeakPolarHBondContact CA-O 3.36Å
8L89.1Confident78.3Confident1 Ų186.5 Ų86.51%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-131.3108.9-175.3-179.5129.3000108.3A10 E65 I72 F128 V130 F133 L160L8-A10 HydrophobicContact CD2-CB 3.54Å; L8-A10 HydrophobicContact CG-CB 4.45Å; L8-E65 HydrophobicContact CD1-CB 4.21Å; L8-E65 HydrophobicContact CD1-CG 4.17Å; L8-E65 VanDerWaalsContact CD1-OE1 3.27Å; L8-E65 WeakPolarHBondContact CD1-OE1 3.4Å; L8-E65 HydrophobicContact CG-CB 4.35Å; L8-E65 HydrophobicContact CG-CG 4.33Å; L8-I72 HydrophobicContact CD2-CD1 3.61Å; L8-F128 HydrophobicContact CD2-CD2 4.24Å; L8-F128 PolarHBondContact N-O 2.83Å; L8-F128 PolarHBondContact O-N 3.33Å; L8-V130 HydrophobicContact CB-CG2 4.29Å; L8-F133 HydrophobicContact CD1-CE2 3.7Å; L8-F133 HydrophobicContact CD1-CZ 3.6Å; L8-L160 HydrophobicContact CD1-CD1 4.49Å
9L91.3Very high78.6Confident108 Ų10885.8 Ų85.857%0.56542%0.423SS*.EExtended strand (participates in β ladder)trans-79.5116170.7176.962.5000108F126 I127 P168L9-F126 WeakPolarHBondContact CA-O 3.3Å; L9-I127 HydrophobicContact CD1-CG1 4Å; L9-P168 HydrophobicContact CD1-CB 4.48Å; L9-P168 HydrophobicContact CD1-CG 3.81Å
10A92Very high79.1Confident2 Ų281.7 Ų81.72%0.01740%0.402CS..EExtended strand (participates in β ladder)trans-145.4145.7-178.900000112.4L8 V63 A64 E65 S125 F126 F128L8-A10 HydrophobicContact CD2-CB 3.54Å; L8-A10 HydrophobicContact CG-CB 4.45Å; A10-V63 HydrophobicContact CB-CB 3.94Å; A10-V63 HydrophobicContact CB-CG2 3.78Å; A10-A64 VanDerWaalsContact CA-O 3.3Å; A10-A64 WeakPolarHBondContact CA-O 3.37Å; A10-A64 WeakPolarHBondContact CB-O 3.48Å; A10-E65 HydrophobicContact CB-CB 4.45Å; A10-S125 WeakPolarHBondContact O-CA 3.49Å; A10-F126 PolarHBondContact N-O 3.01Å; A10-F126 PolarHBondContact O-N 3.32Å; A10-F128 HydrophobicContact CB-CD2 4.31Å; A10-F128 HydrophobicContact CB-CE2 4.23Å
11S93.1Very high79.7Confident48 Ų4879.1 Ų79.134%0.33639%0.39SS..EExtended strand (participates in β ladder)trans-88.7133.1175.9-48.50000110.2V63 A64 Q124 S125S11-V63 CarbonylContact O-C 3.54Å; S11-V63 WeakPolarHBondContact O-CA 3.44Å; S11-V63 WeakPolarHBondContact O-CB 3.27Å; S11-A64 PolarHBondContact N-O 3.23Å; S11-A64 VanDerWaalsContact N-O 3.13Å; S11-A64 PolarHBondContact O-N 3.33Å; S11-Q124 WeakPolarHBondContact CA-O 3.39Å; S11-S125 WeakPolarHBondContact CB-OG 3.49Å; S11-S125 PolarHBondContact OG-OG 2.84Å
12V93.6Very high82.6Confident1 Ų170.1 Ų70.11%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-82.2127.6178.6179.50000109.3L61 V63 F121 V122 G123 Q124 F126 F128V12-L61 HydrophobicContact CG1-CB 4.34Å; V12-L61 HydrophobicContact CG1-CD2 4.03Å; V12-L61 HydrophobicContact CG2-CD1 3.97Å; V12-V63 HydrophobicContact CG2-CG1 4.1Å; V12-F121 VanDerWaalsContact CB-O 3.23Å; V12-F121 WeakPolarHBondContact CB-O 3.06Å; V12-V122 HydrophobicContact CG1-CG2 4.32Å; V12-G123 PolarHBondContact O-N 3.41Å; V12-Q124 PolarHBondContact N-O 3.3Å; V12-F126 HydrophobicContact CG2-CD2 3.75Å; V12-F126 HydrophobicContact CG2-CE2 3.86Å; V12-F128 HydrophobicContact CG2-CZ 4.21Å
13L92Very high85.1Confident87 Ų8763.1 Ų63.146%0.45531%0.308SS..EExtended strand (participates in β ladder)trans-101.7-32.2-179.2-57.4-176.2000113K62 A64 L69L13-K62 PolarHBondContact N-O 3.25Å; L13-A64 HydrophobicContact CD1-CB 4.15Å; L13-A64 HydrophobicContact CG-CB 4.38Å; L13-L69 HydrophobicContact CD1-CD2 3.44Å; L13-L69 VanDerWaalsContact CD1-CD2 3.44Å
14A92.4Very high86.7Confident33 Ų3356.6 Ų56.627%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-163.2158.4179.700000111.1K62A14-K62 HydrophobicContact CB-CB 4.35Å; A14-K62 PolarHBondContact N-O 3.14Å; A14-K62 PolarHBondContact O-N 2.73Å
15L92.2Very high87.9Confident17 Ų1745.2 Ų45.29%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-74.4164.3160.5-53.8-174.4000110.3F20 L59 L61 T114 V117 E118 V122L15-F20 HydrophobicContact CD1-CE1 3.97Å; L15-F20 HydrophobicContact CD1-CZ 3.88Å; L15-L59 HydrophobicContact CD2-CD1 4.21Å; L15-L61 HydrophobicContact CD2-CD2 3.43Å; L15-L61 VanDerWaalsContact CD2-CD2 3.43Å; L15-T114 HydrophobicContact CD1-CG2 4.29Å; L15-V117 HydrophobicContact CD1-CB 4Å; L15-V117 HydrophobicContact CD1-CG1 3.66Å; L15-V117 HydrophobicContact CD2-CG1 3.97Å; L15-V117 HydrophobicContact CG-CG1 4.5Å; L15-E118 HydrophobicContact CD1-CB 4.47Å; L15-E118 HydrophobicContact CD1-CG 3.49Å; L15-E118 VanDerWaalsContact CD1-CG 3.49Å; L15-E118 HydrophobicContact CG-CG 3.85Å; L15-V122 HydrophobicContact CG-CG2 4.47Å
16Q86.3Confident88.3Confident96 Ų9648.4 Ų48.445%0.44926%0.26SS..SBendtrans-126-7.3174.5-61.9-72.5-102.700113.4S60 K62 V71Q16-S60 PolarHBondContact N-O 3.34Å; Q16-K62 HydrophobicContact CG-CB 4.01Å; Q16-V71 HydrophobicContact CG-CG1 4.35Å
17N81.3Confident88.2Confident44 Ų4453.1 Ų53.124%0.23528%0.281CS..  trans-144.9139.6-179.7-72.994.8000108.9F20 S60N17-F20 WeakPolarHBondContact O-CE1 3.43Å; N17-S60 WeakPolarHBondContact OD1-CB 3.3Å; N17-S60 PolarHBondContact OD1-OG 3.4Å
18S79.4Confident87.8Confident74 Ų7449.5 Ų49.552%0.51727%0.269SS..SBendtrans-84.2-24167.649.10000113F20S18-F20 WeakPolarHBondContact O-CD2 3.26Å; S18-F20 WeakPolarHBondContact O-CE2 3.28Å; S18-F20 PolarHBondContact O-N 3.33Å
19S83.8Confident87.4Confident73 Ų7351.5 Ų51.551%0.5128%0.278SS..  trans-84.6102.9176.8-174.70000111.2
20F89.8Confident87Confident3 Ų346.6 Ų46.61%0.01325%0.253CS..  trans-90.6-14.4-176.5-53.6-62000115L15 N17 S18 Y57 K58 L59 F83 L113 T114 V117L15-F20 HydrophobicContact CD1-CE1 3.97Å; L15-F20 HydrophobicContact CD1-CZ 3.88Å; N17-F20 WeakPolarHBondContact O-CE1 3.43Å; S18-F20 WeakPolarHBondContact O-CD2 3.26Å; S18-F20 WeakPolarHBondContact O-CE2 3.28Å; S18-F20 PolarHBondContact O-N 3.33Å; F20-Y57 CarbonylContact O-C 3.54Å; F20-Y57 WeakPolarHBondContact O-CA 3.31Å; F20-K58 CarbonylContact C-O 3.58Å; F20-K58 WeakPolarHBondContact CA-O 3.38Å; F20-K58 PolarHBondContact O-N 2.9Å; F20-L59 HydrophobicContact CD1-CD1 3.68Å; F20-L59 HydrophobicContact CE1-CD1 3.84Å; F20-F83 HydrophobicContact CB-CE1 4.31Å; F20-F83 HydrophobicContact CB-CZ 4.21Å; F20-F83 HydrophobicContact CG-CE1 4.46Å; F20-F83 HydrophobicContact CG-CZ 4.32Å; F20-L113 HydrophobicContact CD2-CD2 3.99Å; F20-L113 HydrophobicContact CD2-CG 4.11Å; F20-L113 HydrophobicContact CE2-CD2 4.46Å; F20-L113 HydrophobicContact CE2-CG 4.21Å; F20-T114 HydrophobicContact CZ-CG2 4.29Å; F20-V117 HydrophobicContact CD1-CG1 4.27Å; F20-V117 HydrophobicContact CD1-CG2 4.43Å; F20-V117 HydrophobicContact CD2-CG2 3.97Å; F20-V117 HydrophobicContact CE1-CB 4.18Å; F20-V117 HydrophobicContact CE1-CG1 3.76Å; F20-V117 HydrophobicContact CE1-CG2 4.23Å; F20-V117 HydrophobicContact CE2-CB 4.2Å; F20-V117 HydrophobicContact CE2-CG2 3.74Å; F20-V117 HydrophobicContact CG-CG2 4.32Å; F20-V117 HydrophobicContact CZ-CB 3.86Å; F20-V117 HydrophobicContact CZ-CG1 3.96Å; F20-V117 HydrophobicContact CZ-CG2 3.88Å
21I91.3Very high86.7Confident28 Ų2853.1 Ų53.114%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-130.7145.3-172.251.9170.8000111.5Y55 R56 Y57 A87 L90 Y91I21-Y55 HydrophobicContact CB-CD1 4.48Å; I21-R56 WeakPolarHBondContact CA-O 3.34Å; I21-Y57 HydrophobicContact CG2-CD1 3.57Å; I21-Y57 HydrophobicContact CG2-CE1 3.6Å; I21-A87 HydrophobicContact CG2-CB 3.96Å; I21-L90 HydrophobicContact CG2-CD2 4.4Å; I21-Y91 HydrophobicContact CD1-CD2 3.8Å; I21-Y91 HydrophobicContact CD1-CG 4.34Å
22Y89.9Confident86.4Confident29 Ų2951.5 Ų51.511%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-139.2147.1175.267.1-84.1000112.2R31 Y55 R56 K58 F75Y22-R31 HydrophobicContact CD2-CB 4.28Å; Y22-R31 HydrophobicContact CD2-CG 4.34Å; Y22-Y55 WeakPolarHBondContact O-CA 3.5Å; Y22-R56 WeakPolarHBondContact CD1-O 3.35Å; Y22-R56 HydrophobicContact CE1-CB 3.87Å; Y22-R56 WeakPolarHBondContact CE1-O 3.39Å; Y22-R56 HydrophobicContact CE2-CB 4.24Å; Y22-R56 PolarHBondContact N-O 3.3Å; Y22-R56 PolarHBondContact O-N 3.1Å; Y22-K58 HydrophobicContact CD1-CB 3.81Å; Y22-K58 HydrophobicContact CE1-CB 3.92Å; Y22-F75 HydrophobicContact CE1-CD1 4.21Å
23P88.8Confident85.8Confident22 Ų2256.4 Ų56.414%0.14329%0.289CS..EExtended strand (participates in β ladder)trans-70133176.629.2-35000110.4R31 I32 L34 Y55P23-R31 CarbonylContact O-C 3.56Å; P23-R31 VanDerWaalsContact O-CA 3.3Å; P23-R31 WeakPolarHBondContact O-CA 3Å; P23-I32 HydrophobicContact CB-CB 4.5Å; P23-I32 PolarHBondContact O-N 3.02Å; P23-L34 HydrophobicContact CB-CD1 4.06Å; P23-L34 HydrophobicContact CB-CG 4.3Å; P23-L34 HydrophobicContact CG-CD1 3.91Å; P23-L34 HydrophobicContact CG-CG 4.23Å; P23-Y55 HydrophobicContact CB-CD1 4.4Å; P23-Y55 HydrophobicContact CB-CE1 3.85Å; P23-Y55 HydrophobicContact CG-CE1 4.39Å
24S88.2Confident85.1Confident0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-141.5145.7-165.7750000112.5Q26 I32 N54 R56S24-Q26 PolarHBondContact O-N 3.22Å; S24-I32 WeakPolarHBondContact O-CD1 3.5Å; S24-N54 CarbonylContact C-O 3.57Å; S24-N54 WeakPolarHBondContact CA-O 3.5Å; S24-N54 PolarHBondContact N-O 3.11Å; S24-N54 PolarHBondContact OG-O 2.85Å; S24-R56 WeakPolarHBondContact OG-CD 3.48Å; S24-R56 WeakPolarHBondContact OG-CG 3.43Å
25C86.1Confident84.2Confident6 Ų658.2 Ų58.24%0.04130%0.298CS..  trans-74.9124-176.9-175.60000111.9K27 C28 F29 S30 I32 C41 C44C25-K27 PolarHBondContact O-N 3.44Å; C25-K27 VanDerWaalsContact O-N 3.1Å; C25-K27 PolarHBondContact SG-N 3.37Å; C25-C28 PolarHBondContact O-N 3.02Å; C25-F29 WeakPolarHBondContact O-CA 3.45Å; C25-F29 PolarHBondContact O-N 3.12Å; C25-S30 PolarHBondContact N-O 2.94Å; C25-I32 HydrophobicContact CB-CG1 4.15Å; C25-C41 HydrophobicContact CB-CB 3.98Å; C25-C44 PolarHBondContact SG-SG 2.97Å
26Q81.1Confident83.1Confident157 Ų15762.9 Ų62.973%0.73433%0.332SS*.THydrogen-bonded Turntrans-56.5-27.3176-165.2-1771700113.8S24S24-Q26 PolarHBondContact O-N 3.22Å
27K81.2Confident82.3Confident171 Ų17166.6 Ų66.674%0.74335%0.346SS*.THydrogen-bonded Turntrans-91.9-19.6-178.4-60.9-165.1-176.1-177.30115.4C25C25-K27 PolarHBondContact O-N 3.44Å; C25-K27 VanDerWaalsContact O-N 3.1Å; C25-K27 PolarHBondContact SG-N 3.37Å
28C81.5Confident82Confident39 Ų3973.5 Ų73.526%0.26437%0.369SS..THydrogen-bonded Turntrans-151.46.8-174.166.80000115.6C25 S30 C44C25-C28 PolarHBondContact O-N 3.02Å; C28-S30 PolarHBondContact O-N 2.64Å; C28-S30 PolarHBondContact SG-OG 3.34Å; C28-C44 VanDerWaalsContact SG-SG 3.61Å
29F80.3Confident82Confident44 Ų4470.3 Ų70.319%0.19335%0.347CS..  trans56.7-1.8173.7-50.3-57.7000118.2C25 A427C25-F29 WeakPolarHBondContact O-CA 3.45Å; C25-F29 PolarHBondContact O-N 3.12Å; F29-A427 HydrophobicContact CD2-CB 3.76Å; F29-A427 HydrophobicContact CE2-CB 3.76Å
30S82.8Confident82Confident4 Ų472.7 Ų72.73%0.02835%0.348CS..PPolyproline II helixtrans-61.9147.4169.3650000111.7C25 C28 I32 C41C25-S30 PolarHBondContact N-O 2.94Å; C28-S30 PolarHBondContact O-N 2.64Å; C28-S30 PolarHBondContact SG-OG 3.34Å; S30-I32 PolarHBondContact O-N 3.37Å; S30-C41 PolarHBondContact OG-SG 3.05Å
31R85.9Confident81.7Confident139 Ų13972.6 Ų72.653%0.52535%0.347SS..BIsolated β-bridgetrans-47.1134.3171.6-170179.3-175.8-177.83111.1Y22 P23 P42Y22-R31 HydrophobicContact CD2-CB 4.28Å; Y22-R31 HydrophobicContact CD2-CG 4.34Å; P23-R31 CarbonylContact O-C 3.56Å; P23-R31 VanDerWaalsContact O-CA 3.3Å; P23-R31 WeakPolarHBondContact O-CA 3Å; R31-P42 WeakPolarHBondContact O-CD 3.24Å
32I87Confident81.2Confident14 Ų1475.2 Ų75.27%0.07237%0.366CS..PPolyproline II helixtrans-92.7143.3172.3-60.9165.1000109P23 S24 C25 S30 S39 K40P23-I32 HydrophobicContact CB-CB 4.5Å; P23-I32 PolarHBondContact O-N 3.02Å; S24-I32 WeakPolarHBondContact O-CD1 3.5Å; C25-I32 HydrophobicContact CB-CG1 4.15Å; S30-I32 PolarHBondContact O-N 3.37Å; I32-S39 VanDerWaalsContact CG2-C 3.47Å; I32-K40 VanDerWaalsContact CG2-N 3.32Å
33I80.8Confident80.9Confident104 Ų10478.5 Ų78.553%0.53338%0.381SS..EExtended strand (participates in β ladder)trans-84.3118.9162.2-52.7176.2000107.6V35 K40I33-V35 HydrophobicContact CG2-CG2 3.88Å; I33-K40 PolarHBondContact N-O 3.01Å; I33-K40 VanDerWaalsContact N-O 3.15Å; I33-K40 PolarHBondContact O-N 3.16Å
34L77.4Confident80.6Confident73 Ų7380.1 Ų80.138%0.38239%0.392SS..EExtended strand (participates in β ladder)trans-85.9117.6172.5-69.5171.3000108.7P23 A53P23-L34 HydrophobicContact CB-CD1 4.06Å; P23-L34 HydrophobicContact CB-CG 4.3Å; P23-L34 HydrophobicContact CG-CD1 3.91Å; P23-L34 HydrophobicContact CG-CG 4.23Å; L34-A53 HydrophobicContact CD2-CB 4.21Å
35V73.9Confident80.2Confident86 Ų8682.3 Ų82.352%0.52142%0.415SS..EExtended strand (participates in β ladder)trans-117.493.4177.8-174.40000108I33 K37 R38I33-V35 HydrophobicContact CG2-CG2 3.88Å; V35-K37 PolarHBondContact O-N 3.36Å; V35-R38 PolarHBondContact N-O 2.81Å; V35-R38 PolarHBondContact O-N 3.36Å
36S69Low79.7Confident115 Ų11583.6 Ų83.680%0.80442%0.424SS*.THydrogen-bonded Turntrans53-90.2-176.6-42.90000113.5S50S36-S50 PolarHBondContact O-OG 3.46Å
37K69.3Low79.5Confident173 Ų17381.2 Ų81.275%0.75242%0.42SS*.THydrogen-bonded Turntrans-107.9-1.3-179-65.4-171.3178.1-176.30114.3V35 S50V35-K37 PolarHBondContact O-N 3.36Å; K37-S50 WeakPolarHBondContact CA-OG 3.41Å; K37-S50 PolarHBondContact O-N 2.87Å
38R74.4Confident79Confident190 Ų19074.7 Ų74.772%0.71740%0.402SS*.EExtended strand (participates in β ladder)trans-123.2135.8-178.2-69.6-180177.6164.5-0.4111.5V35 G48V35-R38 PolarHBondContact N-O 2.81Å; V35-R38 PolarHBondContact O-N 3.36Å; R38-G48 CarbonylContact C-O 3.55Å; R38-G48 WeakPolarHBondContact CA-O 3.49Å
39S80.5Confident78.5Confident7 Ų778.9 Ų78.95%0.04942%0.417CS..EExtended strand (participates in β ladder)trans-103.3110.1-179.660.60000108.5I32 T47 G48 E49I32-S39 VanDerWaalsContact CG2-C 3.47Å; S39-T47 CarbonylContact O-C 3.57Å; S39-T47 VanDerWaalsContact O-CA 3.3Å; S39-T47 WeakPolarHBondContact O-CA 3.49Å; S39-G48 PolarHBondContact N-O 2.9Å; S39-G48 PolarHBondContact O-N 2.83Å; S39-G48 WeakPolarHBondContact OG-CA 3.31Å; S39-G48 PolarHBondContact OG-O 3.24Å; S39-E49 PolarHBondContact OG-O 3.04Å
40K81.9Confident77.7Confident122 Ų12278.7 Ų78.753%0.5342%0.421SS..EExtended strand (participates in β ladder)trans-107.1113-176.9-173.8179.8179.2-176.90111.6I32 I33 P42 T47I32-K40 VanDerWaalsContact CG2-N 3.32Å; I33-K40 PolarHBondContact N-O 3.01Å; I33-K40 VanDerWaalsContact N-O 3.15Å; I33-K40 PolarHBondContact O-N 3.16Å; K40-P42 WeakPolarHBondContact O-CD 3.48Å; K40-T47 HydrophobicContact CG-CG2 4.29Å
41C85.3Confident76.7Confident1 Ų182.1 Ų82.11%0.00746%0.457CS..  trans-75.2123.5172.4178.60000110.9C25 S30 K43 C44 G45 C46C25-C41 HydrophobicContact CB-CB 3.98Å; S30-C41 PolarHBondContact OG-SG 3.05Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.18Å; C41-K43 PolarHBondContact SG-N 3.35Å; C41-K43 VanDerWaalsContact SG-N 3.43Å; C41-C44 PolarHBondContact SG-N 2.88Å; C41-C44 PolarHBondContact SG-SG 3.3Å; C41-G45 VanDerWaalsContact O-CA 3.32Å; C41-G45 WeakPolarHBondContact O-CA 3.34Å; C41-G45 PolarHBondContact O-N 2.98Å; C41-C46 HydrophobicContact CB-CB 4.06Å; C41-C46 WeakPolarHBondContact CB-O 3.49Å; C41-C46 PolarHBondContact N-O 2.82Å
42P81.1Confident75.8Confident83 Ų8381.6 Ų81.654%0.53947%0.465SS..THydrogen-bonded Turntrans-71.7-24.617828.5-34.3000113.4R31 K40R31-P42 WeakPolarHBondContact O-CD 3.24Å; K40-P42 WeakPolarHBondContact O-CD 3.48Å
43K82.1Confident75.2Confident99 Ų9981.5 Ų81.543%0.4347%0.466SS..THydrogen-bonded Turntrans-88.2-46.3-174.3-60.3-153.2-178.4-165.50114.7C41 S419C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.18Å; C41-K43 PolarHBondContact SG-N 3.35Å; C41-K43 VanDerWaalsContact SG-N 3.43Å; K43-S419 PolarHBondContact NZ-O 3.41Å; K43-S419 PolarHBondContact NZ-OG 3.02Å
44C83.7Confident75.4Confident55 Ų5579.3 Ų79.337%0.37246%0.455SS..THydrogen-bonded Turntrans-100.44178.665.80000114.1C25 C28 C41 C46C25-C44 PolarHBondContact SG-SG 2.97Å; C28-C44 VanDerWaalsContact SG-SG 3.61Å; C41-C44 PolarHBondContact SG-N 2.88Å; C41-C44 PolarHBondContact SG-SG 3.3Å; C44-C46 HydrophobicContact CB-CB 4.47Å; C44-C46 WeakPolarHBondContact CB-SG 3.39Å; C44-C46 PolarHBondContact O-N 2.69Å; C44-C46 WeakPolarHBondContact SG-CB 3.47Å; C44-C46 CovalentContact SG-SG 2.04Å; C44-C46 PolarHBondContact SG-SG 3.12Å
45G79.6Confident76Confident46 Ų4676.5 Ų76.547%0.47444%0.44SS..  trans66.3-6.9-172.200000114.8C41 T47C41-G45 VanDerWaalsContact O-CA 3.32Å; C41-G45 WeakPolarHBondContact O-CA 3.34Å; C41-G45 PolarHBondContact O-N 2.98Å; G45-T47 PolarHBondContact O-N 3.23Å
46C75.1Confident76.8Confident34 Ų3473.1 Ų73.123%0.2342%0.418CS..  trans-56119.4-171.8-49.20000112C41 C44C41-C46 HydrophobicContact CB-CB 4.06Å; C41-C46 WeakPolarHBondContact CB-O 3.49Å; C41-C46 PolarHBondContact N-O 2.82Å; C44-C46 HydrophobicContact CB-CB 4.47Å; C44-C46 WeakPolarHBondContact CB-SG 3.39Å; C44-C46 PolarHBondContact O-N 2.69Å; C44-C46 WeakPolarHBondContact SG-CB 3.47Å; C44-C46 CovalentContact SG-SG 2.04Å; C44-C46 PolarHBondContact SG-SG 3.12Å
47T77.8Confident77.9Confident106 Ų10667.7 Ų67.765%0.6538%0.38SS*.EExtended strand (participates in β ladder)trans-101128.2172.150.60000110.6S39 K40 G45S39-T47 CarbonylContact O-C 3.57Å; S39-T47 VanDerWaalsContact O-CA 3.3Å; S39-T47 WeakPolarHBondContact O-CA 3.49Å; K40-T47 HydrophobicContact CG-CG2 4.29Å; G45-T47 PolarHBondContact O-N 3.23Å
48G69.8Low79Confident35 Ų3561.6 Ų61.636%0.36135%0.353SS..EExtended strand (participates in β ladder)trans-124.4-175.9167.800000111.6R38 S39R38-G48 CarbonylContact C-O 3.55Å; R38-G48 WeakPolarHBondContact CA-O 3.49Å; S39-G48 PolarHBondContact N-O 2.9Å; S39-G48 PolarHBondContact O-N 2.83Å; S39-G48 WeakPolarHBondContact OG-CA 3.31Å; S39-G48 PolarHBondContact OG-O 3.24Å
49E71.6Confident79.8Confident127 Ų12752.6 Ų52.659%0.59332%0.319SS*.EExtended strand (participates in β ladder)trans-81.2156.9167.3-61.7178.514100110.1S39 N52S39-E49 PolarHBondContact OG-O 3.04Å; E49-N52 PolarHBondContact OE2-ND2 3.22Å
50S63.2Low80.4Confident39 Ų3952.5 Ų52.527%0.27332%0.319SS..SBendtrans-70.4-40.2179.955.80000112.8S36 K37 N52 A53S36-S50 PolarHBondContact O-OG 3.46Å; K37-S50 WeakPolarHBondContact CA-OG 3.41Å; K37-S50 PolarHBondContact O-N 2.87Å; S50-N52 PolarHBondContact O-N 3.3Å; S50-A53 VanDerWaalsContact O-CB 3.3Å; S50-A53 WeakPolarHBondContact O-CB 3.29Å; S50-A53 PolarHBondContact O-N 3.04Å; S50-A53 VanDerWaalsContact O-N 3.14Å
51G61.9Low80.9Confident76 Ų7646.7 Ų46.778%0.78429%0.293SS*.THydrogen-bonded Turntrans-65.6-16.5178.600000114.8
52N65.6Low81.3Confident128 Ų12850.5 Ų50.568%0.68431%0.31SS*.THydrogen-bonded Turntrans-106.417.8177.6-72-50.4000112.6E49 S50E49-N52 PolarHBondContact OE2-ND2 3.22Å; S50-N52 PolarHBondContact O-N 3.3Å
53A74.7Confident81.8Confident12 Ų1246.5 Ų46.510%0.09928%0.284CS..PPolyproline II helixtrans-69.8130.6175.400000111.5L34 S50 Y55L34-A53 HydrophobicContact CD2-CB 4.21Å; S50-A53 VanDerWaalsContact O-CB 3.3Å; S50-A53 WeakPolarHBondContact O-CB 3.29Å; S50-A53 PolarHBondContact O-N 3.04Å; S50-A53 VanDerWaalsContact O-N 3.14Å; A53-Y55 HydrophobicContact CB-CE2 4.17Å; A53-Y55 VanDerWaalsContact O-CD2 3.31Å; A53-Y55 WeakPolarHBondContact O-CD2 3.32Å; A53-Y55 VanDerWaalsContact O-CE2 3.28Å; A53-Y55 WeakPolarHBondContact O-CE2 3.45Å
54N85.8Confident82.3Confident58 Ų5843 Ų4331%0.3127%0.273SS..EExtended strand (participates in β ladder)trans-87.3131.6176.7-174.963.1000111S24 S88S24-N54 CarbonylContact C-O 3.57Å; S24-N54 WeakPolarHBondContact CA-O 3.5Å; S24-N54 PolarHBondContact N-O 3.11Å; S24-N54 PolarHBondContact OG-O 2.85Å; N54-S88 PolarHBondContact OD1-OG 3.04Å
55Y89.3Confident82.5Confident15 Ų1542.3 Ų42.36%0.05927%0.265CS..EExtended strand (participates in β ladder)trans-96.6154-179.4-70-96.7000111.6I21 Y22 P23 A53 S88 Y91I21-Y55 HydrophobicContact CB-CD1 4.48Å; Y22-Y55 WeakPolarHBondContact O-CA 3.5Å; P23-Y55 HydrophobicContact CB-CD1 4.4Å; P23-Y55 HydrophobicContact CB-CE1 3.85Å; P23-Y55 HydrophobicContact CG-CE1 4.39Å; A53-Y55 HydrophobicContact CB-CE2 4.17Å; A53-Y55 VanDerWaalsContact O-CD2 3.31Å; A53-Y55 WeakPolarHBondContact O-CD2 3.32Å; A53-Y55 VanDerWaalsContact O-CE2 3.28Å; A53-Y55 WeakPolarHBondContact O-CE2 3.45Å; Y55-S88 PolarHBondContact N-OG 3.03Å; Y55-Y91 HydrophobicContact CD1-CD2 4.2Å; Y55-Y91 HydrophobicContact CD1-CG 4.23Å; Y55-Y91 AromaticContact CD2-CD1 3.64Å; Y55-Y91 HydrophobicContact CD2-CD1 3.64Å; Y55-Y91 HydrophobicContact CD2-CD2 4.44Å; Y55-Y91 HydrophobicContact CD2-CE1 4.2Å; Y55-Y91 AromaticContact CD2-CG 3.75Å; Y55-Y91 HydrophobicContact CD2-CG 3.75Å; Y55-Y91 HydrophobicContact CE1-CD1 4.46Å; Y55-Y91 AromaticContact CE1-CD2 3.86Å; Y55-Y91 HydrophobicContact CE1-CD2 3.86Å; Y55-Y91 HydrophobicContact CE1-CE1 4.47Å; Y55-Y91 AromaticContact CE1-CE2 3.88Å; Y55-Y91 HydrophobicContact CE1-CE2 3.88Å; Y55-Y91 HydrophobicContact CE1-CG 4.14Å; Y55-Y91 AromaticContact CE2-CD1 3.24Å; Y55-Y91 HydrophobicContact CE2-CD1 3.24Å; Y55-Y91 HydrophobicContact CE2-CD2 4.13Å; Y55-Y91 AromaticContact CE2-CE1 3.33Å; Y55-Y91 HydrophobicContact CE2-CE1 3.33Å; Y55-Y91 HydrophobicContact CE2-CE2 4.2Å; Y55-Y91 AromaticContact CE2-CG 3.65Å; Y55-Y91 HydrophobicContact CE2-CG 3.65Å; Y55-Y91 AromaticContact CE2-CZ 3.81Å; Y55-Y91 HydrophobicContact CG-CD1 4.42Å; Y55-Y91 HydrophobicContact CG-CD2 4.5Å; Y55-Y91 HydrophobicContact CG-CG 4.07Å; Y55-Y91 AromaticContact CZ-CD1 3.73Å; Y55-Y91 AromaticContact CZ-CD2 3.84Å; Y55-Y91 AromaticContact CZ-CE1 3.51Å; Y55-Y91 AromaticContact CZ-CE2 3.63Å; Y55-Y91 AromaticContact CZ-CG 3.86Å; Y55-Y91 AromaticContact CZ-CZ 3.44Å; Y55-Y91 VanDerWaalsContact CZ-CZ 3.44Å; Y55-Y91 WeakPolarHBondContact OH-CE1 3.3Å; Y55-Y91 PolarHBondContact OH-OH 3.35Å; Y55-Y91 VanDerWaalsContact OH-OH 3.11Å
56R90.4Very high82.5Confident15 Ų1545.3 Ų45.36%0.05728%0.278CS..EExtended strand (participates in β ladder)trans-133.4149171.4-78.5172.473.792.53.6110.1I21 Y22 S24 E430I21-R56 WeakPolarHBondContact CA-O 3.34Å; Y22-R56 WeakPolarHBondContact CD1-O 3.35Å; Y22-R56 HydrophobicContact CE1-CB 3.87Å; Y22-R56 WeakPolarHBondContact CE1-O 3.39Å; Y22-R56 HydrophobicContact CE2-CB 4.24Å; Y22-R56 PolarHBondContact N-O 3.3Å; Y22-R56 PolarHBondContact O-N 3.1Å; S24-R56 WeakPolarHBondContact OG-CD 3.48Å; S24-R56 WeakPolarHBondContact OG-CG 3.43Å; R56-E430 IonicContact CZ-OE1 2.68Å; R56-E430 IonicContact CZ-OE2 3.46Å; R56-E430 IonicContact NH1-OE1 3.44Å; R56-E430 PolarHBondContact NH1-OE1 3.42Å; R56-E430 IonicContact NH1-OE2 2.69Å; R56-E430 PolarHBondContact NH1-OE2 3.29Å; R56-E430 IonicContact NH2-OE1 3.32Å; R56-E430 PolarHBondContact NH2-OE1 3.05Å; R56-E430 IonicContact NH2-OE2 2.73Å; R56-E430 PolarHBondContact NH2-OE2 3.46Å
57Y92.6Very high82.6Confident0 Ų051.5 Ų51.50%031%0.309CS..EExtended strand (participates in β ladder)trans-74.5144.8175.8-70.6-63.3000112.5F20 I21 F75 G76 L79 D80 F83 L85 A87 L90F20-Y57 CarbonylContact O-C 3.54Å; F20-Y57 WeakPolarHBondContact O-CA 3.31Å; I21-Y57 HydrophobicContact CG2-CD1 3.57Å; I21-Y57 HydrophobicContact CG2-CE1 3.6Å; Y57-F75 WeakPolarHBondContact O-CA 3.44Å; Y57-G76 PolarHBondContact O-N 3.48Å; Y57-L79 HydrophobicContact CD2-CB 3.8Å; Y57-L79 HydrophobicContact CG-CB 4.03Å; Y57-L79 HydrophobicContact CG-CD1 4.38Å; Y57-D80 VanDerWaalsContact CD2-OD1 3.22Å; Y57-D80 WeakPolarHBondContact CD2-OD1 3.12Å; Y57-D80 WeakPolarHBondContact CE2-OD1 3.22Å; Y57-F83 HydrophobicContact CD1-CD1 4.41Å; Y57-F83 HydrophobicContact CD1-CD2 4.31Å; Y57-F83 HydrophobicContact CD1-CE1 4.37Å; Y57-F83 HydrophobicContact CD1-CE2 4.28Å; Y57-F83 HydrophobicContact CD1-CG 4.37Å; Y57-F83 HydrophobicContact CD1-CZ 4.31Å; Y57-F83 HydrophobicContact CE1-CB 4.21Å; Y57-F83 AromaticContact CE1-CD1 3.61Å; Y57-F83 HydrophobicContact CE1-CD1 3.61Å; Y57-F83 HydrophobicContact CE1-CD2 4.08Å; Y57-F83 AromaticContact CE1-CE1 3.91Å; Y57-F83 HydrophobicContact CE1-CE1 3.91Å; Y57-F83 HydrophobicContact CE1-CE2 4.35Å; Y57-F83 AromaticContact CE1-CG 3.69Å; Y57-F83 HydrophobicContact CE1-CG 3.69Å; Y57-F83 HydrophobicContact CE1-CZ 4.28Å; Y57-F83 HydrophobicContact CE2-CB 4.02Å; Y57-F83 HydrophobicContact CE2-CD2 4.36Å; Y57-F83 HydrophobicContact CE2-CG 4.17Å; Y57-F83 AromaticContact CZ-CD1 3.87Å; Y57-F83 AromaticContact CZ-CG 3.58Å; Y57-F83 VanDerWaalsContact OH-CB 3.26Å; Y57-F83 WeakPolarHBondContact OH-CB 3.22Å; Y57-L85 WeakPolarHBondContact CE2-O 3.45Å; Y57-L85 PolarHBondContact OH-O 3.32Å; Y57-A87 HydrophobicContact CD1-CB 4.02Å; Y57-A87 HydrophobicContact CD2-CB 3.79Å; Y57-A87 HydrophobicContact CE1-CB 4.03Å; Y57-A87 HydrophobicContact CE2-CB 3.83Å; Y57-A87 VanDerWaalsContact CE2-N 3.3Å; Y57-A87 HydrophobicContact CG-CB 3.88Å; Y57-A87 VanDerWaalsContact CZ-CA 3.49Å; Y57-L90 HydrophobicContact CE1-CD2 3.72Å; Y57-L90 WeakPolarHBondContact OH-CB 3.48Å
58K92Very high82.9Confident46 Ų4653 Ų5320%0.231%0.307CS..EExtended strand (participates in β ladder)trans-136.4110.7166.2173.6-167174.5-165.90107.1F20 Y22 T73 V74 F75F20-K58 CarbonylContact C-O 3.58Å; F20-K58 WeakPolarHBondContact CA-O 3.38Å; F20-K58 PolarHBondContact O-N 2.9Å; Y22-K58 HydrophobicContact CD1-CB 3.81Å; Y22-K58 HydrophobicContact CE1-CB 3.92Å; K58-T73 HydrophobicContact CG-CG2 3.73Å; K58-V74 WeakPolarHBondContact CA-O 3.45Å; K58-F75 HydrophobicContact CB-CD1 4.08Å; K58-F75 HydrophobicContact CB-CE1 4.05Å; K58-F75 HydrophobicContact CD-CE1 4.17Å; K58-F75 HydrophobicContact CG-CD1 4.14Å; K58-F75 HydrophobicContact CG-CE1 3.67Å; K58-F75 HydrophobicContact CG-CZ 4.27Å
59L92.6Very high83.8Confident1 Ų155.2 Ų55.21%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-116.8114.8177.8-177.464.1000109.7L15 F20 L61 T73 V74 L79 F83 V117 F121L15-L59 HydrophobicContact CD2-CD1 4.21Å; F20-L59 HydrophobicContact CD1-CD1 3.68Å; F20-L59 HydrophobicContact CE1-CD1 3.84Å; L59-L61 HydrophobicContact CD1-CD2 4Å; L59-L61 HydrophobicContact CD2-CD1 4.11Å; L59-L61 HydrophobicContact CD2-CD2 3.96Å; L59-L61 HydrophobicContact CD2-CG 4.21Å; L59-L61 HydrophobicContact CG-CD1 4.36Å; L59-L61 HydrophobicContact CG-CD2 3.71Å; L59-L61 HydrophobicContact CG-CG 3.95Å; L59-T73 CarbonylContact O-C 3.56Å; L59-T73 WeakPolarHBondContact O-CA 3.44Å; L59-V74 HydrophobicContact CB-CB 4.47Å; L59-V74 PolarHBondContact N-O 3.25Å; L59-V74 PolarHBondContact O-N 3.42Å; L59-L79 HydrophobicContact CB-CD1 3.66Å; L59-L79 HydrophobicContact CB-CD2 4.3Å; L59-L79 HydrophobicContact CD2-CD2 3.74Å; L59-F83 HydrophobicContact CD2-CE2 4.45Å; L59-V117 HydrophobicContact CD1-CG1 3.73Å; L59-F121 HydrophobicContact CD2-CD1 3.98Å; L59-F121 HydrophobicContact CD2-CD2 3.95Å; L59-F121 HydrophobicContact CD2-CE1 3.7Å; L59-F121 HydrophobicContact CD2-CE2 3.66Å; L59-F121 HydrophobicContact CD2-CG 4.1Å; L59-F121 HydrophobicContact CD2-CZ 3.52Å
60S92Very high84.6Confident5 Ų549.5 Ų49.54%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-99.3118177.5-56.90000110.5Q16 N17Q16-S60 PolarHBondContact N-O 3.34Å; N17-S60 WeakPolarHBondContact OD1-CB 3.3Å; N17-S60 PolarHBondContact OD1-OG 3.4Å
61L92.8Very high85.9Confident0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-119.3133.6-174.2-57.9178000110.6V12 L15 L59 V63 V71 I72 V74 F121 F128V12-L61 HydrophobicContact CG1-CB 4.34Å; V12-L61 HydrophobicContact CG1-CD2 4.03Å; V12-L61 HydrophobicContact CG2-CD1 3.97Å; L15-L61 HydrophobicContact CD2-CD2 3.43Å; L15-L61 VanDerWaalsContact CD2-CD2 3.43Å; L59-L61 HydrophobicContact CD1-CD2 4Å; L59-L61 HydrophobicContact CD2-CD1 4.11Å; L59-L61 HydrophobicContact CD2-CD2 3.96Å; L59-L61 HydrophobicContact CD2-CG 4.21Å; L59-L61 HydrophobicContact CG-CD1 4.36Å; L59-L61 HydrophobicContact CG-CD2 3.71Å; L59-L61 HydrophobicContact CG-CG 3.95Å; L61-V63 HydrophobicContact CB-CG1 3.86Å; L61-V71 CarbonylContact O-C 3.59Å; L61-V71 WeakPolarHBondContact O-CA 3.35Å; L61-I72 PolarHBondContact N-O 3.28Å; L61-I72 PolarHBondContact O-N 2.75Å; L61-V74 HydrophobicContact CD1-CG2 4.41Å; L61-F121 HydrophobicContact CD2-CB 4.41Å; L61-F128 HydrophobicContact CD1-CE1 3.83Å; L61-F128 HydrophobicContact CD1-CZ 3.85Å
62K93.1Very high87.3Confident80 Ų8045.3 Ų45.335%0.34824%0.242SC..EExtended strand (participates in β ladder)trans-89.6118.9166.1-175.4176.8179.8-179.60107.9L13 A14 Q16L13-K62 PolarHBondContact N-O 3.25Å; A14-K62 HydrophobicContact CB-CB 4.35Å; A14-K62 PolarHBondContact N-O 3.14Å; A14-K62 PolarHBondContact O-N 2.73Å; Q16-K62 HydrophobicContact CG-CB 4.01Å
63V92.4Very high88.5Confident0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans-127.6160.3-171.6-48.40000112.7A10 S11 V12 L61 L69 S70 I72 F128A10-V63 HydrophobicContact CB-CB 3.94Å; A10-V63 HydrophobicContact CB-CG2 3.78Å; S11-V63 CarbonylContact O-C 3.54Å; S11-V63 WeakPolarHBondContact O-CA 3.44Å; S11-V63 WeakPolarHBondContact O-CB 3.27Å; V12-V63 HydrophobicContact CG2-CG1 4.1Å; L61-V63 HydrophobicContact CB-CG1 3.86Å; V63-L69 WeakPolarHBondContact O-CA 3.4Å; V63-S70 PolarHBondContact N-O 3.35Å; V63-S70 PolarHBondContact O-N 3.02Å; V63-I72 HydrophobicContact CG1-CD1 4.24Å; V63-I72 HydrophobicContact CG1-CG1 4.47Å; V63-I72 HydrophobicContact CG2-CD1 3.62Å; V63-I72 HydrophobicContact CG2-CG1 3.85Å; V63-F128 HydrophobicContact CG1-CE2 4.24Å; V63-F128 HydrophobicContact CG1-CZ 4.25Å
64A92.3Very high89.3Confident25 Ų2539.5 Ų39.521%0.20721%0.21CC..EExtended strand (participates in β ladder)trans-115.4120.4171.200000112A10 S11 L13 K68 L69A10-A64 VanDerWaalsContact CA-O 3.3Å; A10-A64 WeakPolarHBondContact CA-O 3.37Å; A10-A64 WeakPolarHBondContact CB-O 3.48Å; S11-A64 PolarHBondContact N-O 3.23Å; S11-A64 VanDerWaalsContact N-O 3.13Å; S11-A64 PolarHBondContact O-N 3.33Å; L13-A64 HydrophobicContact CD1-CB 4.15Å; L13-A64 HydrophobicContact CG-CB 4.38Å; A64-K68 WeakPolarHBondContact CA-O 3.35Å; A64-L69 HydrophobicContact CB-CD2 4.41Å
65E88.4Confident89.4Confident40 Ų4038.1 Ų38.119%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-105.2109162.1178.7-167-134.200107K6 L8 A10 N67 K68K6-E65 IonicContact NZ-OE1 3.56Å; K6-E65 PolarHBondContact NZ-OE1 3.37Å; K6-E65 IonicContact NZ-OE2 2.69Å; L8-E65 HydrophobicContact CD1-CB 4.21Å; L8-E65 HydrophobicContact CD1-CG 4.17Å; L8-E65 VanDerWaalsContact CD1-OE1 3.27Å; L8-E65 WeakPolarHBondContact CD1-OE1 3.4Å; L8-E65 HydrophobicContact CG-CB 4.35Å; L8-E65 HydrophobicContact CG-CG 4.33Å; A10-E65 HydrophobicContact CB-CB 4.45Å; E65-N67 PolarHBondContact O-N 3.45Å; E65-K68 PolarHBondContact N-O 3.47Å; E65-K68 WeakPolarHBondContact O-CA 3.39Å; E65-K68 VanDerWaalsContact O-CB 3.31Å; E65-K68 WeakPolarHBondContact O-CB 3.17Å; E65-K68 PolarHBondContact O-N 3.22Å
66S79.6Confident89.3Confident109 Ų10937.4 Ų37.476%0.76220%0.198SC*.THydrogen-bonded Turntrans40.464.8172-56.80000114.8K68S66-K68 VanDerWaalsContact C-N 3.26Å; S66-K68 PolarHBondContact O-N 2.95Å
67N76.5Confident89Confident165 Ų16539.2 Ų39.288%0.88221%0.213SC*.THydrogen-bonded Turntrans68.16-177.5-53.7-15.8000116.3E65E65-N67 PolarHBondContact O-N 3.45Å
68K84.9Confident88.8Confident138 Ų13840.6 Ų40.660%0.622%0.223SC*.EExtended strand (participates in β ladder)trans-105120.6174.3-61173.2-176.2169.40111A64 E65 S66A64-K68 WeakPolarHBondContact CA-O 3.35Å; E65-K68 PolarHBondContact N-O 3.47Å; E65-K68 WeakPolarHBondContact O-CA 3.39Å; E65-K68 VanDerWaalsContact O-CB 3.31Å; E65-K68 WeakPolarHBondContact O-CB 3.17Å; E65-K68 PolarHBondContact O-N 3.22Å; S66-K68 VanDerWaalsContact C-N 3.26Å; S66-K68 PolarHBondContact O-N 2.95Å
69L89.2Confident88.7Confident80 Ų8038.4 Ų38.442%0.41921%0.213SC..EExtended strand (participates in β ladder)trans-79.3126171.8-63.5179.2000110.5L13 V63 A64L13-L69 HydrophobicContact CD1-CD2 3.44Å; L13-L69 VanDerWaalsContact CD1-CD2 3.44Å; V63-L69 WeakPolarHBondContact O-CA 3.4Å; A64-L69 HydrophobicContact CB-CD2 4.41Å
70S87.9Confident88.7Confident7 Ų740.3 Ų40.35%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-130.6155.9173.5-57.90000109.8V63 R158V63-S70 PolarHBondContact N-O 3.35Å; V63-S70 PolarHBondContact O-N 3.02Å; S70-R158 WeakPolarHBondContact CA-O 3.16Å; S70-R158 WeakPolarHBondContact CB-O 3.28Å
71V90.1Very high88.5Confident28 Ų2845.2 Ų45.217%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-107.4121.3169.1176.50000107.3Q16 L61 A157 R158 S159 L160Q16-V71 HydrophobicContact CG-CG1 4.35Å; L61-V71 CarbonylContact O-C 3.59Å; L61-V71 WeakPolarHBondContact O-CA 3.35Å; V71-A157 HydrophobicContact CG2-CB 4.18Å; V71-R158 PolarHBondContact N-O 2.87Å; V71-S159 CarbonylContact O-C 3.51Å; V71-S159 WeakPolarHBondContact O-CA 3.45Å; V71-L160 PolarHBondContact O-N 3.16Å
72I90.9Very high88.4Confident0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-107.4125.1176-60179.7000108.5L8 L61 V63 V74 F128 L160 A162L8-I72 HydrophobicContact CD2-CD1 3.61Å; L61-I72 PolarHBondContact N-O 3.28Å; L61-I72 PolarHBondContact O-N 2.75Å; V63-I72 HydrophobicContact CG1-CD1 4.24Å; V63-I72 HydrophobicContact CG1-CG1 4.47Å; V63-I72 HydrophobicContact CG2-CD1 3.62Å; V63-I72 HydrophobicContact CG2-CG1 3.85Å; I72-V74 HydrophobicContact CG2-CG2 4.02Å; I72-F128 HydrophobicContact CD1-CB 3.95Å; I72-F128 HydrophobicContact CD1-CD1 4Å; I72-F128 HydrophobicContact CD1-CD2 3.56Å; I72-F128 HydrophobicContact CD1-CE1 4.38Å; I72-F128 HydrophobicContact CD1-CE2 3.98Å; I72-F128 HydrophobicContact CD1-CG 3.56Å; I72-F128 HydrophobicContact CD1-CZ 4.36Å; I72-F128 HydrophobicContact CG2-CD1 3.97Å; I72-F128 HydrophobicContact CG2-CE1 4.34Å; I72-F128 HydrophobicContact CG2-CG 4.45Å; I72-L160 CarbonylContact C-O 3.6Å; I72-L160 WeakPolarHBondContact CA-O 3.31Å; I72-L160 HydrophobicContact CG1-CB 4.17Å; I72-A162 HydrophobicContact CG2-CB 3.6Å
73T91.6Very high88.3Confident18 Ų1843.1 Ų43.111%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-99.6120.4162.8-46.80000109.7K58 L59 F75 L160 A162K58-T73 HydrophobicContact CG-CG2 3.73Å; L59-T73 CarbonylContact O-C 3.56Å; L59-T73 WeakPolarHBondContact O-CA 3.44Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE1 4.05Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 VanDerWaalsContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.42Å; T73-F75 VanDerWaalsContact CG2-CZ 3.42Å; T73-L160 PolarHBondContact N-O 2.82Å; T73-A162 PolarHBondContact O-N 2.95Å
74V91Very high88.2Confident0 Ų045 Ų450%026%0.263CS..EExtended strand (participates in β ladder)trans-96.2139.8174.3-168.10000108.5K58 L59 L61 I72 C78 L79 F128 A162 I165K58-V74 WeakPolarHBondContact CA-O 3.45Å; L59-V74 HydrophobicContact CB-CB 4.47Å; L59-V74 PolarHBondContact N-O 3.25Å; L59-V74 PolarHBondContact O-N 3.42Å; L61-V74 HydrophobicContact CD1-CG2 4.41Å; I72-V74 HydrophobicContact CG2-CG2 4.02Å; V74-C78 VanDerWaalsContact CG1-SG 3.57Å; V74-L79 HydrophobicContact CB-CD1 4.08Å; V74-L79 HydrophobicContact CB-CD2 4.35Å; V74-L79 HydrophobicContact CB-CG 4.43Å; V74-L79 HydrophobicContact CG1-CD1 3.96Å; V74-L79 HydrophobicContact CG1-CD2 3.95Å; V74-L79 HydrophobicContact CG1-CG 3.86Å; V74-F128 HydrophobicContact CG2-CD1 4.07Å; V74-F128 HydrophobicContact CG2-CE1 3.91Å; V74-A162 HydrophobicContact CG2-CB 4.22Å; V74-I165 HydrophobicContact CG1-CB 4.33Å; V74-I165 HydrophobicContact CG1-CG2 3.99Å
75F88.8Confident88.1Confident28 Ų2846.3 Ų46.312%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-134.2150-176.6-68.4-87.7000113.1Y22 Y57 K58 T73 C78 V161 L422 L426Y22-F75 HydrophobicContact CE1-CD1 4.21Å; Y57-F75 WeakPolarHBondContact O-CA 3.44Å; K58-F75 HydrophobicContact CB-CD1 4.08Å; K58-F75 HydrophobicContact CB-CE1 4.05Å; K58-F75 HydrophobicContact CD-CE1 4.17Å; K58-F75 HydrophobicContact CG-CD1 4.14Å; K58-F75 HydrophobicContact CG-CE1 3.67Å; K58-F75 HydrophobicContact CG-CZ 4.27Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE1 4.05Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 VanDerWaalsContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.42Å; T73-F75 VanDerWaalsContact CG2-CZ 3.42Å; F75-C78 PolarHBondContact O-SG 3.04Å; F75-V161 HydrophobicContact CD2-CG1 3.91Å; F75-V161 HydrophobicContact CE2-CG1 3.97Å; F75-L422 HydrophobicContact CD2-CD2 4.26Å; F75-L422 HydrophobicContact CE2-CD2 4.22Å; F75-L426 HydrophobicContact CB-CD1 3.98Å
76G85.9Confident88.3Confident1 Ų148 Ų481%0.0128%0.28CS..SBendtrans83.9-164168.400000114.8Y57 C78 L79Y57-G76 PolarHBondContact O-N 3.48Å; G76-C78 PolarHBondContact O-N 2.95Å; G76-L79 PolarHBondContact O-N 2.86Å
77S84.9Confident88.8Confident53 Ų5343 Ų4337%0.37124%0.244SC..G310 helixtrans-70.9-7.9-171.251.20000114.8L79 D80S77-L79 PolarHBondContact O-N 3.41Å; S77-D80 WeakPolarHBondContact CB-OD2 3.36Å; S77-D80 WeakPolarHBondContact O-CB 3.18Å; S77-D80 PolarHBondContact O-N 2.85Å
78C87.8Confident89.5Confident29 Ų2936.3 Ų36.320%0.19621%0.211CC..G310 helixtrans-63.1-7.8171.269.90000113.9V74 F75 G76 I165V74-C78 VanDerWaalsContact CG1-SG 3.57Å; F75-C78 PolarHBondContact O-SG 3.04Å; G76-C78 PolarHBondContact O-N 2.95Å; C78-I165 VanDerWaalsContact O-CG2 3.31Å; C78-I165 WeakPolarHBondContact O-CG2 3.46Å
79L90.9Very high89.7Confident0 Ų030.8 Ų30.80%019%0.193CC..G310 helixtrans-98.5-14.5171.9-69.5166.1000113.4Y57 L59 V74 G76 S77 T81 F82 F83 F121 I165Y57-L79 HydrophobicContact CD2-CB 3.8Å; Y57-L79 HydrophobicContact CG-CB 4.03Å; Y57-L79 HydrophobicContact CG-CD1 4.38Å; L59-L79 HydrophobicContact CB-CD1 3.66Å; L59-L79 HydrophobicContact CB-CD2 4.3Å; L59-L79 HydrophobicContact CD2-CD2 3.74Å; V74-L79 HydrophobicContact CB-CD1 4.08Å; V74-L79 HydrophobicContact CB-CD2 4.35Å; V74-L79 HydrophobicContact CB-CG 4.43Å; V74-L79 HydrophobicContact CG1-CD1 3.96Å; V74-L79 HydrophobicContact CG1-CD2 3.95Å; V74-L79 HydrophobicContact CG1-CG 3.86Å; G76-L79 PolarHBondContact O-N 2.86Å; S77-L79 PolarHBondContact O-N 3.41Å; L79-T81 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.26Å; L79-F82 PolarHBondContact O-N 3.03Å; L79-F83 HydrophobicContact CB-CD2 4.04Å; L79-F83 HydrophobicContact CB-CE2 4.26Å; L79-F83 HydrophobicContact CD2-CE2 4.42Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 PolarHBondContact O-N 2.85Å; L79-F121 HydrophobicContact CD2-CE1 4.43Å; L79-F121 HydrophobicContact CD2-CZ 4.14Å; L79-I165 HydrophobicContact CD2-CG2 4.07Å
80D91.1Very high89.7Confident40 Ų4027 Ų2721%0.21417%0.174CC..Hα-helixtrans-58.9-37-175.2-65.1-8.9000111.8Y57 S77 F82 G84Y57-D80 VanDerWaalsContact CD2-OD1 3.22Å; Y57-D80 WeakPolarHBondContact CD2-OD1 3.12Å; Y57-D80 WeakPolarHBondContact CE2-OD1 3.22Å; S77-D80 WeakPolarHBondContact CB-OD2 3.36Å; S77-D80 WeakPolarHBondContact O-CB 3.18Å; S77-D80 PolarHBondContact O-N 2.85Å; D80-F82 VanDerWaalsContact C-N 3.3Å; D80-F82 PolarHBondContact O-N 3.4Å; D80-G84 PolarHBondContact O-N 2.86Å
81T88.9Confident89.8Confident109 Ų10929.7 Ų29.767%0.66918%0.183SC*.Hα-helixtrans-68.8-24.5176.9530000114.1L79L79-T81 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.26Å
82F90.1Very high89.7Confident35 Ų3537.7 Ų37.715%0.15421%0.21CC..Hα-helixtrans-90.3-36.7178.9-64.8-91.3000111.2L79 D80 G84 F121 F126 I165 L167 T176 V177L79-F82 PolarHBondContact O-N 3.03Å; D80-F82 VanDerWaalsContact C-N 3.3Å; D80-F82 PolarHBondContact O-N 3.4Å; F82-G84 VanDerWaalsContact C-N 3.35Å; F82-F121 HydrophobicContact CB-CE1 4.29Å; F82-F121 HydrophobicContact CB-CZ 3.67Å; F82-F121 HydrophobicContact CD1-CE1 4.21Å; F82-F121 HydrophobicContact CD1-CZ 4.41Å; F82-F121 HydrophobicContact CG-CE1 4.3Å; F82-F121 HydrophobicContact CG-CZ 4.17Å; F82-F126 HydrophobicContact CD1-CE1 4.26Å; F82-F126 HydrophobicContact CE1-CD1 4.1Å; F82-F126 AromaticContact CE1-CE1 3.76Å; F82-F126 HydrophobicContact CE1-CE1 3.76Å; F82-I165 HydrophobicContact CD2-CG2 4.19Å; F82-I165 HydrophobicContact CE2-CG2 3.73Å; F82-I165 HydrophobicContact CZ-CG1 4.36Å; F82-I165 HydrophobicContact CZ-CG2 4.35Å; F82-L167 HydrophobicContact CE1-CD1 4.33Å; F82-L167 HydrophobicContact CE1-CG 4.04Å; F82-T176 WeakPolarHBondContact O-CA 3.34Å; F82-T176 WeakPolarHBondContact O-CB 3.47Å; F82-V177 PolarHBondContact O-N 3.46Å
83F91.3Very high89.5Confident1 Ų139.8 Ų39.80%0.00422%0.218CC..Hα-helixtrans-78-19.2175.8-82.2-100.1000113.4F20 Y57 L59 L79 L85 L90 V117 F121 V177 I178F20-F83 HydrophobicContact CB-CE1 4.31Å; F20-F83 HydrophobicContact CB-CZ 4.21Å; F20-F83 HydrophobicContact CG-CE1 4.46Å; F20-F83 HydrophobicContact CG-CZ 4.32Å; Y57-F83 HydrophobicContact CD1-CD1 4.41Å; Y57-F83 HydrophobicContact CD1-CD2 4.31Å; Y57-F83 HydrophobicContact CD1-CE1 4.37Å; Y57-F83 HydrophobicContact CD1-CE2 4.28Å; Y57-F83 HydrophobicContact CD1-CG 4.37Å; Y57-F83 HydrophobicContact CD1-CZ 4.31Å; Y57-F83 HydrophobicContact CE1-CB 4.21Å; Y57-F83 AromaticContact CE1-CD1 3.61Å; Y57-F83 HydrophobicContact CE1-CD1 3.61Å; Y57-F83 HydrophobicContact CE1-CD2 4.08Å; Y57-F83 AromaticContact CE1-CE1 3.91Å; Y57-F83 HydrophobicContact CE1-CE1 3.91Å; Y57-F83 HydrophobicContact CE1-CE2 4.35Å; Y57-F83 AromaticContact CE1-CG 3.69Å; Y57-F83 HydrophobicContact CE1-CG 3.69Å; Y57-F83 HydrophobicContact CE1-CZ 4.28Å; Y57-F83 HydrophobicContact CE2-CB 4.02Å; Y57-F83 HydrophobicContact CE2-CD2 4.36Å; Y57-F83 HydrophobicContact CE2-CG 4.17Å; Y57-F83 AromaticContact CZ-CD1 3.87Å; Y57-F83 AromaticContact CZ-CG 3.58Å; Y57-F83 VanDerWaalsContact OH-CB 3.26Å; Y57-F83 WeakPolarHBondContact OH-CB 3.22Å; L59-F83 HydrophobicContact CD2-CE2 4.45Å; L79-F83 HydrophobicContact CB-CD2 4.04Å; L79-F83 HydrophobicContact CB-CE2 4.26Å; L79-F83 HydrophobicContact CD2-CE2 4.42Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 PolarHBondContact O-N 2.85Å; F83-L85 PolarHBondContact O-N 3.13Å; F83-L90 HydrophobicContact CD1-CD2 3.85Å; F83-L90 HydrophobicContact CE1-CD2 4.2Å; F83-V117 HydrophobicContact CE1-CG2 3.64Å; F83-V117 HydrophobicContact CZ-CG1 4.37Å; F83-V117 HydrophobicContact CZ-CG2 3.81Å; F83-F121 HydrophobicContact CE2-CE2 4Å; F83-F121 HydrophobicContact CE2-CZ 4.21Å; F83-F121 HydrophobicContact CZ-CE2 4.47Å; F83-V177 HydrophobicContact CB-CB 4.43Å; F83-V177 HydrophobicContact CB-CG2 4.48Å; F83-V177 HydrophobicContact CD1-CB 3.81Å; F83-V177 HydrophobicContact CD1-CG1 3.88Å; F83-V177 HydrophobicContact CD1-CG2 3.84Å; F83-V177 HydrophobicContact CD2-CG2 4.23Å; F83-V177 HydrophobicContact CE1-CB 4.3Å; F83-V177 HydrophobicContact CE1-CG1 4.01Å; F83-V177 HydrophobicContact CE1-CG2 4.08Å; F83-V177 HydrophobicContact CE2-CG2 4.44Å; F83-V177 HydrophobicContact CG-CB 4.17Å; F83-V177 HydrophobicContact CG-CG2 3.94Å; F83-V177 HydrophobicContact CZ-CG2 4.37Å; F83-I178 WeakPolarHBondContact O-CB 3.34Å; F83-I178 WeakPolarHBondContact O-CG2 3.29Å; F83-I178 PolarHBondContact O-N 2.89Å; F83-I178 VanDerWaalsContact O-N 3.16Å
84G89.9Confident89.3Confident39 Ų3939.9 Ų39.940%0.40222%0.218SC..SBendtrans76.6-9.1-178.100000114.3D80 F82D80-G84 PolarHBondContact O-N 2.86Å; F82-G84 VanDerWaalsContact C-N 3.35Å
85L90.9Very high88.9Confident53 Ų5345.6 Ų45.628%0.27725%0.245SC..SBendtrans-134152.5174.4-65.9177.8000109.7Y57 F83 L90 Y93 I178Y57-L85 WeakPolarHBondContact CE2-O 3.45Å; Y57-L85 PolarHBondContact OH-O 3.32Å; F83-L85 PolarHBondContact O-N 3.13Å; L85-L90 HydrophobicContact CB-CB 4.39Å; L85-L90 HydrophobicContact CD1-CB 4.49Å; L85-L90 HydrophobicContact CD1-CD1 4.39Å; L85-Y93 HydrophobicContact CD1-CD2 4.45Å; L85-I178 HydrophobicContact CD1-CB 4.32Å; L85-I178 HydrophobicContact CD1-CD1 3.91Å; L85-I178 HydrophobicContact CD1-CG1 3.81Å; L85-I178 HydrophobicContact CG-CB 4.32Å; L85-I178 HydrophobicContact CG-CG1 4.2Å; L85-I178 HydrophobicContact CG-CG2 4.3Å
86T91.8Very high88.5Confident76 Ų7646.6 Ų46.647%0.46625%0.251SS..  trans-63.8153.4163.765.30000110.2S88 G89 L90T86-S88 PolarHBondContact O-N 3.11Å; T86-S88 VanDerWaalsContact O-N 3.16Å; T86-G89 CarbonylContact O-C 3.6Å; T86-G89 WeakPolarHBondContact O-CA 3.23Å; T86-G89 PolarHBondContact O-N 3.05Å; T86-G89 PolarHBondContact OG1-N 2.76Å; T86-L90 PolarHBondContact O-N 3.01Å
87A91.1Very high87.5Confident2 Ų250.6 Ų50.62%0.01728%0.277CS..Hα-helixtrans-55.3-35.8-179.600000113.9I21 Y57 Y91I21-A87 HydrophobicContact CG2-CB 3.96Å; Y57-A87 HydrophobicContact CD1-CB 4.02Å; Y57-A87 HydrophobicContact CD2-CB 3.79Å; Y57-A87 HydrophobicContact CE1-CB 4.03Å; Y57-A87 HydrophobicContact CE2-CB 3.83Å; Y57-A87 VanDerWaalsContact CE2-N 3.3Å; Y57-A87 HydrophobicContact CG-CB 3.88Å; Y57-A87 VanDerWaalsContact CZ-CA 3.49Å; A87-Y91 WeakPolarHBondContact O-CB 3.41Å; A87-Y91 PolarHBondContact O-N 3.34Å
88S89.8Confident86.8Confident25 Ų2554.4 Ų54.418%0.17529%0.294CS..Hα-helixtrans-70.8-33.5173.2-60.50000112.7N54 Y55 T86 R92N54-S88 PolarHBondContact OD1-OG 3.04Å; Y55-S88 PolarHBondContact N-OG 3.03Å; T86-S88 PolarHBondContact O-N 3.11Å; T86-S88 VanDerWaalsContact O-N 3.16Å; S88-R92 WeakPolarHBondContact O-CB 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.47Å; S88-R92 PolarHBondContact O-N 3.5Å; S88-R92 VanDerWaalsContact O-N 3.08Å
89G89.2Confident86Confident23 Ų2358.4 Ų58.424%0.23731%0.307CS..Hα-helixtrans-66.2-43.8171.600000112.2T86 R92 Y93T86-G89 CarbonylContact O-C 3.6Å; T86-G89 WeakPolarHBondContact O-CA 3.23Å; T86-G89 PolarHBondContact O-N 3.05Å; T86-G89 PolarHBondContact OG1-N 2.76Å; G89-R92 PolarHBondContact O-N 3.12Å; G89-Y93 WeakPolarHBondContact O-CB 3.44Å; G89-Y93 PolarHBondContact O-N 3.2Å
90L90.5Very high85.3Confident1 Ų159 Ų591%0.00531%0.311CS..Hα-helixtrans-65.5-43.7175.6-175.969.1000111.8I21 Y57 F83 L85 T86 R92 Y93 I94 L113 I178I21-L90 HydrophobicContact CG2-CD2 4.4Å; Y57-L90 HydrophobicContact CE1-CD2 3.72Å; Y57-L90 WeakPolarHBondContact OH-CB 3.48Å; F83-L90 HydrophobicContact CD1-CD2 3.85Å; F83-L90 HydrophobicContact CE1-CD2 4.2Å; L85-L90 HydrophobicContact CB-CB 4.39Å; L85-L90 HydrophobicContact CD1-CB 4.49Å; L85-L90 HydrophobicContact CD1-CD1 4.39Å; T86-L90 PolarHBondContact O-N 3.01Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.06Å; L90-Y93 WeakPolarHBondContact O-CB 3.42Å; L90-Y93 PolarHBondContact O-N 3.42Å; L90-Y93 VanDerWaalsContact O-N 3.16Å; L90-I94 HydrophobicContact CD1-CD1 4.2Å; L90-I94 HydrophobicContact CD1-CG1 4.44Å; L90-I94 HydrophobicContact CD2-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.8Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 3.12Å; L90-L113 HydrophobicContact CD1-CD1 4.38Å; L90-L113 HydrophobicContact CD2-CD1 4.42Å; L90-I178 HydrophobicContact CD1-CD1 4.43Å
91Y88.7Confident84.2Confident63 Ų6358.6 Ų58.625%0.24731%0.31CS..Hα-helixtrans-57.2-46.1174.2-179-107.5000111.6I21 Y55 A87 Y93 I94 Q95I21-Y91 HydrophobicContact CD1-CD2 3.8Å; I21-Y91 HydrophobicContact CD1-CG 4.34Å; Y55-Y91 HydrophobicContact CD1-CD2 4.2Å; Y55-Y91 HydrophobicContact CD1-CG 4.23Å; Y55-Y91 AromaticContact CD2-CD1 3.64Å; Y55-Y91 HydrophobicContact CD2-CD1 3.64Å; Y55-Y91 HydrophobicContact CD2-CD2 4.44Å; Y55-Y91 HydrophobicContact CD2-CE1 4.2Å; Y55-Y91 AromaticContact CD2-CG 3.75Å; Y55-Y91 HydrophobicContact CD2-CG 3.75Å; Y55-Y91 HydrophobicContact CE1-CD1 4.46Å; Y55-Y91 AromaticContact CE1-CD2 3.86Å; Y55-Y91 HydrophobicContact CE1-CD2 3.86Å; Y55-Y91 HydrophobicContact CE1-CE1 4.47Å; Y55-Y91 AromaticContact CE1-CE2 3.88Å; Y55-Y91 HydrophobicContact CE1-CE2 3.88Å; Y55-Y91 HydrophobicContact CE1-CG 4.14Å; Y55-Y91 AromaticContact CE2-CD1 3.24Å; Y55-Y91 HydrophobicContact CE2-CD1 3.24Å; Y55-Y91 HydrophobicContact CE2-CD2 4.13Å; Y55-Y91 AromaticContact CE2-CE1 3.33Å; Y55-Y91 HydrophobicContact CE2-CE1 3.33Å; Y55-Y91 HydrophobicContact CE2-CE2 4.2Å; Y55-Y91 AromaticContact CE2-CG 3.65Å; Y55-Y91 HydrophobicContact CE2-CG 3.65Å; Y55-Y91 AromaticContact CE2-CZ 3.81Å; Y55-Y91 HydrophobicContact CG-CD1 4.42Å; Y55-Y91 HydrophobicContact CG-CD2 4.5Å; Y55-Y91 HydrophobicContact CG-CG 4.07Å; Y55-Y91 AromaticContact CZ-CD1 3.73Å; Y55-Y91 AromaticContact CZ-CD2 3.84Å; Y55-Y91 AromaticContact CZ-CE1 3.51Å; Y55-Y91 AromaticContact CZ-CE2 3.63Å; Y55-Y91 AromaticContact CZ-CG 3.86Å; Y55-Y91 AromaticContact CZ-CZ 3.44Å; Y55-Y91 VanDerWaalsContact CZ-CZ 3.44Å; Y55-Y91 WeakPolarHBondContact OH-CE1 3.3Å; Y55-Y91 PolarHBondContact OH-OH 3.35Å; Y55-Y91 VanDerWaalsContact OH-OH 3.11Å; A87-Y91 WeakPolarHBondContact O-CB 3.41Å; A87-Y91 PolarHBondContact O-N 3.34Å; Y91-Y93 PolarHBondContact O-N 3.16Å; Y91-I94 PolarHBondContact O-N 2.96Å; Y91-Q95 HydrophobicContact CE1-CG 4.46Å; Y91-Q95 HydrophobicContact CE2-CG 4.35Å; Y91-Q95 VanDerWaalsContact CZ-OE1 3.29Å; Y91-Q95 WeakPolarHBondContact O-CG 3.41Å; Y91-Q95 PolarHBondContact O-N 3.18Å; Y91-Q95 PolarHBondContact OH-NE2 3.07Å; Y91-Q95 PolarHBondContact OH-OE1 3.38Å
92R88.5Confident82.9Confident195 Ų19562 Ų6274%0.73632%0.319SS*.Hα-helixtrans-64.5-36.2175.3-77-174.662.1167.5-0.8113.3S88 G89 L90 Q95 D96S88-R92 WeakPolarHBondContact O-CB 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.47Å; S88-R92 PolarHBondContact O-N 3.5Å; S88-R92 VanDerWaalsContact O-N 3.08Å; G89-R92 PolarHBondContact O-N 3.12Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.06Å; R92-Q95 PolarHBondContact O-N 3.49Å; R92-D96 WeakPolarHBondContact O-CB 3.45Å; R92-D96 PolarHBondContact O-N 3.48Å; R92-D96 VanDerWaalsContact O-N 3.13Å
93Y87.3Confident81.5Confident44 Ų4465.1 Ų65.117%0.17334%0.341CS..Hα-helixtrans-64.1-43.3173.9-174-75.9000111L85 G89 L90 Y91 Q95 D96 K99 I178 F181 C182 L185L85-Y93 HydrophobicContact CD1-CD2 4.45Å; G89-Y93 WeakPolarHBondContact O-CB 3.44Å; G89-Y93 PolarHBondContact O-N 3.2Å; L90-Y93 WeakPolarHBondContact O-CB 3.42Å; L90-Y93 PolarHBondContact O-N 3.42Å; L90-Y93 VanDerWaalsContact O-N 3.16Å; Y91-Y93 PolarHBondContact O-N 3.16Å; Y93-Q95 PolarHBondContact O-N 2.94Å; Y93-D96 PolarHBondContact O-N 2.83Å; Y93-K99 HydrophobicContact CD1-CB 4.4Å; Y93-K99 HydrophobicContact CD2-CB 4.31Å; Y93-K99 HydrophobicContact CD2-CG 4.2Å; Y93-K99 HydrophobicContact CE1-CB 4.1Å; Y93-K99 HydrophobicContact CE2-CB 4.04Å; Y93-K99 HydrophobicContact CE2-CD 4.15Å; Y93-K99 HydrophobicContact CE2-CG 4.12Å; Y93-K99 HydrophobicContact CG-CB 4.48Å; Y93-I178 HydrophobicContact CD1-CD1 4.04Å; Y93-I178 HydrophobicContact CD2-CD1 4Å; Y93-I178 HydrophobicContact CE1-CD1 3.98Å; Y93-I178 HydrophobicContact CE2-CD1 3.9Å; Y93-I178 HydrophobicContact CG-CD1 4.07Å; Y93-F181 HydrophobicContact CD1-CD1 4.36Å; Y93-F181 AromaticContact CD1-CE1 3.97Å; Y93-F181 HydrophobicContact CD1-CE1 3.97Å; Y93-F181 AromaticContact CE1-CD1 3.94Å; Y93-F181 HydrophobicContact CE1-CD1 3.94Å; Y93-F181 AromaticContact CE1-CE1 3.71Å; Y93-F181 HydrophobicContact CE1-CE1 3.71Å; Y93-C182 PolarHBondContact OH-SG 3.48Å; Y93-L185 HydrophobicContact CE1-CD1 4.14Å
94I86.8Confident80.5Confident21 Ų2166 Ų6611%0.10835%0.345CS..Hα-helixtrans-66.3-27.8179.3-66.9165.1000111.9L90 Y91 I100 T109 L113L90-I94 HydrophobicContact CD1-CD1 4.2Å; L90-I94 HydrophobicContact CD1-CG1 4.44Å; L90-I94 HydrophobicContact CD2-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.8Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 3.12Å; Y91-I94 PolarHBondContact O-N 2.96Å; I94-I100 HydrophobicContact CB-CD1 4.43Å; I94-I100 WeakPolarHBondContact O-CD1 3.01Å; I94-T109 HydrophobicContact CG2-CG2 4.41Å; I94-L113 HydrophobicContact CD1-CD2 3.65Å
95Q82.8Confident80Confident120 Ų12068 Ų6856%0.56135%0.347SS*.THydrogen-bonded Turntrans-95.4-0.8177.8-68.6-162.1-43.100115.2Y91 R92 Y93 P97Y91-Q95 HydrophobicContact CE1-CG 4.46Å; Y91-Q95 HydrophobicContact CE2-CG 4.35Å; Y91-Q95 VanDerWaalsContact CZ-OE1 3.29Å; Y91-Q95 WeakPolarHBondContact O-CG 3.41Å; Y91-Q95 PolarHBondContact O-N 3.18Å; Y91-Q95 PolarHBondContact OH-NE2 3.07Å; Y91-Q95 PolarHBondContact OH-OE1 3.38Å; R92-Q95 PolarHBondContact O-N 3.49Å; Y93-Q95 PolarHBondContact O-N 2.94Å; Q95-P97 VanDerWaalsContact O-CD 3.27Å; Q95-P97 WeakPolarHBondContact O-CD 3.2Å
96D81.1Confident79.5Confident48 Ų4870.5 Ų70.526%0.25736%0.36SS..  trans-90109.1-178.2-173.5-3.1000110.5R92 Y93 N98 K99 I100R92-D96 WeakPolarHBondContact O-CB 3.45Å; R92-D96 PolarHBondContact O-N 3.48Å; R92-D96 VanDerWaalsContact O-N 3.13Å; Y93-D96 PolarHBondContact O-N 2.83Å; D96-N98 PolarHBondContact O-N 3.16Å; D96-N98 VanDerWaalsContact O-N 3.07Å; D96-N98 VanDerWaalsContact OD1-CB 3.26Å; D96-N98 WeakPolarHBondContact OD1-CB 3.37Å; D96-N98 PolarHBondContact OD1-N 2.79Å; D96-N98 PolarHBondContact OD1-ND2 3.14Å; D96-K99 HydrophobicContact CB-CB 4.16Å; D96-K99 HydrophobicContact CB-CG 3.8Å; D96-K99 PolarHBondContact O-N 3.45Å; D96-K99 WeakPolarHBondContact OD2-CG 3.39Å; D96-I100 PolarHBondContact O-N 2.92Å; D96-I100 VanDerWaalsContact O-N 3.08Å
97P64.4Low79.1Confident86 Ų8672.1 Ų72.156%0.55837%0.366SS*.THydrogen-bonded Turntrans-67.3-7.5178.530.6-36.8000113Q95 K99 I100Q95-P97 VanDerWaalsContact O-CD 3.27Å; Q95-P97 WeakPolarHBondContact O-CD 3.2Å; P97-K99 VanDerWaalsContact C-N 3.34Å; P97-I100 CarbonylContact C-O 3.46Å; P97-I100 VanDerWaalsContact O-O 3.06Å
98N69.1Low78.8Confident133 Ų13374.2 Ų74.271%0.71138%0.379SS*.THydrogen-bonded Turntrans-87.9-1.7170.5-49.9-89.9000112.6D96D96-N98 PolarHBondContact O-N 3.16Å; D96-N98 VanDerWaalsContact O-N 3.07Å; D96-N98 VanDerWaalsContact OD1-CB 3.26Å; D96-N98 WeakPolarHBondContact OD1-CB 3.37Å; D96-N98 PolarHBondContact OD1-N 2.79Å; D96-N98 PolarHBondContact OD1-ND2 3.14Å
99K71.9Confident78.7Confident112 Ų11273.1 Ų73.149%0.48737%0.371SS..THydrogen-bonded Turntrans-119.2-39.8179.2-59-60.7169.5-153.50112.6Y93 D96 P97Y93-K99 HydrophobicContact CD1-CB 4.4Å; Y93-K99 HydrophobicContact CD2-CB 4.31Å; Y93-K99 HydrophobicContact CD2-CG 4.2Å; Y93-K99 HydrophobicContact CE1-CB 4.1Å; Y93-K99 HydrophobicContact CE2-CB 4.04Å; Y93-K99 HydrophobicContact CE2-CD 4.15Å; Y93-K99 HydrophobicContact CE2-CG 4.12Å; Y93-K99 HydrophobicContact CG-CB 4.48Å; D96-K99 HydrophobicContact CB-CB 4.16Å; D96-K99 HydrophobicContact CB-CG 3.8Å; D96-K99 PolarHBondContact O-N 3.45Å; D96-K99 WeakPolarHBondContact OD2-CG 3.39Å; P97-K99 VanDerWaalsContact C-N 3.34Å
100I75.6Confident78.6Confident13 Ų1375.1 Ų75.17%0.06737%0.374CS..SBendtrans-103.3131.1170.1-76.5150.2000108.3I94 D96 P97 E102 L104 T109 F181 L185I94-I100 HydrophobicContact CB-CD1 4.43Å; I94-I100 WeakPolarHBondContact O-CD1 3.01Å; D96-I100 PolarHBondContact O-N 2.92Å; D96-I100 VanDerWaalsContact O-N 3.08Å; P97-I100 CarbonylContact C-O 3.46Å; P97-I100 VanDerWaalsContact O-O 3.06Å; I100-E102 PolarHBondContact O-N 3.29Å; I100-L104 HydrophobicContact CG2-CB 4.05Å; I100-L104 HydrophobicContact CG2-CD2 4.06Å; I100-T109 HydrophobicContact CD1-CG2 3.61Å; I100-T109 HydrophobicContact CG1-CG2 4.25Å; I100-F181 HydrophobicContact CD1-CZ 4.47Å; I100-L185 HydrophobicContact CG1-CD1 4.16Å; I100-L185 HydrophobicContact CG1-CD2 4.4Å
101P68.2Low78.5Confident32 Ų3280.1 Ų80.121%0.20840%0.401CS..  trans-58.5133.5176.7-16.125.5000110.7T103 L104 N189P101-T103 PolarHBondContact O-N 2.94Å; P101-L104 WeakPolarHBondContact O-CB 3.33Å; P101-L104 PolarHBondContact O-N 3.35Å; P101-N189 VanDerWaalsContact CG-OD1 3.24Å; P101-N189 WeakPolarHBondContact CG-OD1 3.32Å
102E62.7Low78.7Confident181 Ų18178.2 Ų78.285%0.84640%0.395SS*.THydrogen-bonded Turntrans-57-16.7178.9-170.3171.4-15300114I100I100-E102 PolarHBondContact O-N 3.29Å
103T59.8Low78.8Confident100 Ų10069.1 Ų69.161%0.61336%0.361SS*.THydrogen-bonded Turntrans-94.27.4175.875.30000114.6P101 K192P101-T103 PolarHBondContact O-N 2.94Å; T103-K192 VanDerWaalsContact CB-NZ 3.34Å; T103-K192 PolarHBondContact OG1-NZ 3.46Å
104L70.6Confident79.1Confident19 Ų1968 Ų6810%0.09936%0.359CS..SBendtrans-97.8120.1175-168.666.6000109.8I100 P101 T108 T109 L112 L185 F188I100-L104 HydrophobicContact CG2-CB 4.05Å; I100-L104 HydrophobicContact CG2-CD2 4.06Å; P101-L104 WeakPolarHBondContact O-CB 3.33Å; P101-L104 PolarHBondContact O-N 3.35Å; L104-T108 HydrophobicContact CD1-CG2 3.54Å; L104-T108 HydrophobicContact CG-CG2 4.42Å; L104-T109 WeakPolarHBondContact CD2-OG1 3.45Å; L104-T109 WeakPolarHBondContact CG-OG1 3.33Å; L104-L112 HydrophobicContact CD2-CD1 4.29Å; L104-L185 HydrophobicContact CD2-CD2 3.5Å; L104-F188 HydrophobicContact CD1-CD1 3.78Å; L104-F188 HydrophobicContact CD1-CE1 3.37Å; L104-F188 HydrophobicContact CD1-CE2 4.45Å; L104-F188 HydrophobicContact CD1-CG 4.48Å; L104-F188 HydrophobicContact CD1-CZ 3.75Å
105D79.6Confident79.3Confident82 Ų8272.5 Ų72.544%0.43938%0.378SS..  trans-64153.8175.9157.766.9000112.5D107 T108 T109D105-D107 WeakPolarHBondContact OD2-CA 3.26Å; D105-D107 WeakPolarHBondContact OD2-CB 3.43Å; D105-D107 PolarHBondContact OD2-N 3.3Å; D105-T108 PolarHBondContact O-N 2.84Å; D105-T108 PolarHBondContact OD2-N 2.73Å; D105-T108 PolarHBondContact OD2-OG1 2.69Å; D105-T109 WeakPolarHBondContact O-CB 3.34Å; D105-T109 PolarHBondContact O-N 2.82Å; D105-T109 PolarHBondContact O-OG1 2.98Å
106N79.9Confident79.8Confident104 Ų10466.8 Ų66.856%0.55635%0.351SS*.Hα-helixtrans-62.6-43.1-178.9-74.4-61.5000112.3T109 Q110N106-T109 WeakPolarHBondContact O-CB 3.46Å; N106-T109 PolarHBondContact O-N 3.32Å; N106-Q110 WeakPolarHBondContact O-CG 3.32Å; N106-Q110 PolarHBondContact O-N 3.18Å
107D83Confident80.4Confident111 Ų11164.5 Ų64.559%0.59434%0.339SS*.Hα-helixtrans-70.3-37.9-180-65.5-21.8000110.4D105 T109 Q110 N111D105-D107 WeakPolarHBondContact OD2-CA 3.26Å; D105-D107 WeakPolarHBondContact OD2-CB 3.43Å; D105-D107 PolarHBondContact OD2-N 3.3Å; D107-T109 VanDerWaalsContact C-N 3.29Å; D107-T109 PolarHBondContact O-N 2.97Å; D107-Q110 PolarHBondContact O-N 3.37Å; D107-N111 VanDerWaalsContact O-CB 3.32Å; D107-N111 WeakPolarHBondContact O-CB 3.43Å; D107-N111 PolarHBondContact O-N 3.04Å; D107-N111 PolarHBondContact O-ND2 3.41Å
108T85.9Confident81.7Confident45 Ų4564.8 Ų64.828%0.27633%0.333SS..Hα-helixtrans-59.9-41.4171.4-50.70000111.3L104 D105 N111 L112 F188L104-T108 HydrophobicContact CD1-CG2 3.54Å; L104-T108 HydrophobicContact CG-CG2 4.42Å; D105-T108 PolarHBondContact O-N 2.84Å; D105-T108 PolarHBondContact OD2-N 2.73Å; D105-T108 PolarHBondContact OD2-OG1 2.69Å; T108-N111 PolarHBondContact O-N 2.81Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 2.95Å; T108-F188 HydrophobicContact CG2-CE2 3.95Å; T108-F188 HydrophobicContact CG2-CZ 4Å
109T86.6Confident82.8Confident3 Ų361.7 Ų61.72%0.01832%0.318CS..Hα-helixtrans-62.5-46.4174.7-57.90000111.9I94 I100 L104 D105 N106 D107 N111 L112 L113 F181I94-T109 HydrophobicContact CG2-CG2 4.41Å; I100-T109 HydrophobicContact CD1-CG2 3.61Å; I100-T109 HydrophobicContact CG1-CG2 4.25Å; L104-T109 WeakPolarHBondContact CD2-OG1 3.45Å; L104-T109 WeakPolarHBondContact CG-OG1 3.33Å; D105-T109 WeakPolarHBondContact O-CB 3.34Å; D105-T109 PolarHBondContact O-N 2.82Å; D105-T109 PolarHBondContact O-OG1 2.98Å; N106-T109 WeakPolarHBondContact O-CB 3.46Å; N106-T109 PolarHBondContact O-N 3.32Å; D107-T109 VanDerWaalsContact C-N 3.29Å; D107-T109 PolarHBondContact O-N 2.97Å; T109-N111 VanDerWaalsContact C-N 3.34Å; T109-N111 PolarHBondContact O-N 2.83Å; T109-L112 PolarHBondContact O-N 2.87Å; T109-L113 PolarHBondContact O-N 3.02Å; T109-F181 HydrophobicContact CG2-CZ 3.88Å
110Q87.4Confident83.7Confident64 Ų6456.9 Ų56.930%0.29930%0.299SS..Hα-helixtrans-66.2-33.3176.6-66.8-61.6-27.500112.6N106 D107 L113 T114N106-Q110 WeakPolarHBondContact O-CG 3.32Å; N106-Q110 PolarHBondContact O-N 3.18Å; D107-Q110 PolarHBondContact O-N 3.37Å; Q110-L113 PolarHBondContact O-N 3.22Å; Q110-T114 WeakPolarHBondContact O-CB 3.36Å; Q110-T114 PolarHBondContact O-N 2.95Å; Q110-T114 PolarHBondContact O-OG1 2.88Å
111N89.6Confident84.4Confident106 Ų10656.3 Ų56.357%0.56730%0.296SS*.Hα-helixtrans-68.5-42.4175.3-76.2-41.6000111.8D107 T108 T109 L113 T114 K115D107-N111 VanDerWaalsContact O-CB 3.32Å; D107-N111 WeakPolarHBondContact O-CB 3.43Å; D107-N111 PolarHBondContact O-N 3.04Å; D107-N111 PolarHBondContact O-ND2 3.41Å; T108-N111 PolarHBondContact O-N 2.81Å; T109-N111 VanDerWaalsContact C-N 3.34Å; T109-N111 PolarHBondContact O-N 2.83Å; N111-L113 VanDerWaalsContact C-N 3.35Å; N111-T114 PolarHBondContact O-N 2.97Å; N111-K115 WeakPolarHBondContact O-CB 3.42Å; N111-K115 PolarHBondContact O-N 2.86Å
112L91.5Very high85.5Confident24 Ų2457.3 Ų57.313%0.12630%0.301CS..Hα-helixtrans-64.4-38.5173-68.1179.9000112L104 T108 T109 K115 A116 F181 L184 L185 F188L104-L112 HydrophobicContact CD2-CD1 4.29Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 2.95Å; T109-L112 PolarHBondContact O-N 2.87Å; L112-K115 PolarHBondContact O-N 3.22Å; L112-A116 PolarHBondContact O-N 2.99Å; L112-F181 HydrophobicContact CB-CD2 4.21Å; L112-F181 HydrophobicContact CB-CE2 3.89Å; L112-L184 HydrophobicContact CD2-CB 4.38Å; L112-L185 HydrophobicContact CD1-CD2 3.96Å; L112-F188 HydrophobicContact CD1-CB 4.24Å; L112-F188 HydrophobicContact CD1-CD2 4.25Å; L112-F188 HydrophobicContact CD1-CG 4.29Å
113L92.1Very high86.8Confident3 Ų351.7 Ų51.72%0.01629%0.292CS..Hα-helixtrans-65.3-45.3174.1179.864.9000111.6F20 L90 I94 T109 Q110 N111 K115 A116 V117 V177 F181F20-L113 HydrophobicContact CD2-CD2 3.99Å; F20-L113 HydrophobicContact CD2-CG 4.11Å; F20-L113 HydrophobicContact CE2-CD2 4.46Å; F20-L113 HydrophobicContact CE2-CG 4.21Å; L90-L113 HydrophobicContact CD1-CD1 4.38Å; L90-L113 HydrophobicContact CD2-CD1 4.42Å; I94-L113 HydrophobicContact CD1-CD2 3.65Å; T109-L113 PolarHBondContact O-N 3.02Å; Q110-L113 PolarHBondContact O-N 3.22Å; N111-L113 VanDerWaalsContact C-N 3.35Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 2.93Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.35Å; L113-A116 VanDerWaalsContact O-N 3.13Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 3.03Å; L113-V177 HydrophobicContact CD1-CG1 4.04Å; L113-F181 HydrophobicContact CB-CD2 4.06Å; L113-F181 HydrophobicContact CB-CE2 3.8Å; L113-F181 HydrophobicContact CB-CZ 4.32Å; L113-F181 HydrophobicContact CD1-CD1 4.47Å; L113-F181 HydrophobicContact CD1-CD2 4.3Å; L113-F181 HydrophobicContact CD1-CG 4.25Å
114T92.3Very high88.2Confident22 Ų2248.9 Ų48.914%0.13527%0.272CS..Hα-helixtrans-57.6-46.1176.4-61.30000110.4L15 F20 Q110 N111 A116 V117 E118L15-T114 HydrophobicContact CD1-CG2 4.29Å; F20-T114 HydrophobicContact CZ-CG2 4.29Å; Q110-T114 WeakPolarHBondContact O-CB 3.36Å; Q110-T114 PolarHBondContact O-N 2.95Å; Q110-T114 PolarHBondContact O-OG1 2.88Å; N111-T114 PolarHBondContact O-N 2.97Å; T114-A116 VanDerWaalsContact C-N 3.35Å; T114-A116 PolarHBondContact O-N 3.12Å; T114-V117 PolarHBondContact O-N 3.33Å; T114-V117 VanDerWaalsContact O-N 3.17Å; T114-E118 WeakPolarHBondContact O-CG 3.39Å; T114-E118 PolarHBondContact O-N 2.83Å
115K92.1Very high89.2Confident115 Ų11550 Ų5050%0.528%0.281SS..Hα-helixtrans-62.7-35.9175.7-171.5173.1-176.5174.90113.5N111 L112 L113 T119 L184N111-K115 WeakPolarHBondContact O-CB 3.42Å; N111-K115 PolarHBondContact O-N 2.86Å; L112-K115 PolarHBondContact O-N 3.22Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 2.93Å; K115-T119 WeakPolarHBondContact O-CB 3.22Å; K115-T119 PolarHBondContact O-N 3.41Å; K115-T119 PolarHBondContact O-OG1 3.01Å; K115-L184 HydrophobicContact CB-CD1 4.25Å; K115-L184 HydrophobicContact CD-CD1 4.46Å; K115-L184 HydrophobicContact CD-CD2 4.42Å; K115-L184 HydrophobicContact CG-CD1 4.23Å
116A93.2Very high89.8Confident0 Ų046.1 Ų46.10%026%0.261CS..Hα-helixtrans-64.6-44.4172.600000111.5L112 L113 T114 T119 C120 V177 F181 L184L112-A116 PolarHBondContact O-N 2.99Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.35Å; L113-A116 VanDerWaalsContact O-N 3.13Å; T114-A116 VanDerWaalsContact C-N 3.35Å; T114-A116 PolarHBondContact O-N 3.12Å; A116-T119 PolarHBondContact O-N 3.21Å; A116-C120 PolarHBondContact O-N 3.16Å; A116-C120 PolarHBondContact O-SG 2.96Å; A116-V177 HydrophobicContact CB-CG1 3.92Å; A116-F181 HydrophobicContact CB-CB 3.97Å; A116-L184 HydrophobicContact CB-CD1 4.13Å
117V92.8Very high90.4Very high0 Ų043.8 Ų43.80%025%0.248CC..Hα-helixtrans-64.5-41.3175.3179.90000111.2L15 F20 L59 F83 L113 T114 T119 C120 F121 V177L15-V117 HydrophobicContact CD1-CB 4Å; L15-V117 HydrophobicContact CD1-CG1 3.66Å; L15-V117 HydrophobicContact CD2-CG1 3.97Å; L15-V117 HydrophobicContact CG-CG1 4.5Å; F20-V117 HydrophobicContact CD1-CG1 4.27Å; F20-V117 HydrophobicContact CD1-CG2 4.43Å; F20-V117 HydrophobicContact CD2-CG2 3.97Å; F20-V117 HydrophobicContact CE1-CB 4.18Å; F20-V117 HydrophobicContact CE1-CG1 3.76Å; F20-V117 HydrophobicContact CE1-CG2 4.23Å; F20-V117 HydrophobicContact CE2-CB 4.2Å; F20-V117 HydrophobicContact CE2-CG2 3.74Å; F20-V117 HydrophobicContact CG-CG2 4.32Å; F20-V117 HydrophobicContact CZ-CB 3.86Å; F20-V117 HydrophobicContact CZ-CG1 3.96Å; F20-V117 HydrophobicContact CZ-CG2 3.88Å; L59-V117 HydrophobicContact CD1-CG1 3.73Å; F83-V117 HydrophobicContact CE1-CG2 3.64Å; F83-V117 HydrophobicContact CZ-CG1 4.37Å; F83-V117 HydrophobicContact CZ-CG2 3.81Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 3.03Å; T114-V117 PolarHBondContact O-N 3.33Å; T114-V117 VanDerWaalsContact O-N 3.17Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.63Å; V117-C120 PolarHBondContact O-N 3.06Å; V117-F121 HydrophobicContact CG1-CD2 3.63Å; V117-F121 HydrophobicContact CG1-CE2 4.04Å; V117-F121 WeakPolarHBondContact O-CD2 3.15Å; V117-F121 PolarHBondContact O-N 3.03Å; V117-V177 HydrophobicContact CG2-CG1 3.57Å; V117-V177 HydrophobicContact CG2-CG2 4.22Å
118E92.8Very high90.8Very high92 Ų9238.5 Ų38.543%0.4322%0.219SC..Hα-helixtrans-58.2-47.3174-73.8-177145.200111.3L15 T114 C120 F121 V122L15-E118 HydrophobicContact CD1-CB 4.47Å; L15-E118 HydrophobicContact CD1-CG 3.49Å; L15-E118 VanDerWaalsContact CD1-CG 3.49Å; L15-E118 HydrophobicContact CG-CG 3.85Å; T114-E118 WeakPolarHBondContact O-CG 3.39Å; T114-E118 PolarHBondContact O-N 2.83Å; E118-C120 VanDerWaalsContact C-N 3.28Å; E118-C120 PolarHBondContact O-N 3.26Å; E118-F121 PolarHBondContact O-N 3.24Å; E118-V122 HydrophobicContact CB-CG2 4.28Å; E118-V122 HydrophobicContact CG-CG2 4.4Å; E118-V122 VanDerWaalsContact O-CB 3.29Å; E118-V122 WeakPolarHBondContact O-CB 3.39Å; E118-V122 PolarHBondContact O-N 3.12Å
119T91.2Very high90.9Very high67 Ų6736.4 Ų36.441%0.41121%0.206SC..Hα-helixtrans-61.4-34.4178-53.10000112.5K115 A116 V117 Y180K115-T119 WeakPolarHBondContact O-CB 3.22Å; K115-T119 PolarHBondContact O-N 3.41Å; K115-T119 PolarHBondContact O-OG1 3.01Å; A116-T119 PolarHBondContact O-N 3.21Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.63Å; T119-Y180 HydrophobicContact CG2-CD1 3.99Å; T119-Y180 HydrophobicContact CG2-CE1 3.81Å; T119-Y180 HydrophobicContact CG2-CE2 4.41Å; T119-Y180 HydrophobicContact CG2-CG 4.38Å
120C90.1Very high90.9Very high11 Ų1136.2 Ų36.27%0.07421%0.205CC..Hα-helixtrans-79.5-31.1179.7-66.40000114.4A116 V117 E118 Q124 V177 Y180A116-C120 PolarHBondContact O-N 3.16Å; A116-C120 PolarHBondContact O-SG 2.96Å; V117-C120 PolarHBondContact O-N 3.06Å; E118-C120 VanDerWaalsContact C-N 3.28Å; E118-C120 PolarHBondContact O-N 3.26Å; C120-Q124 PolarHBondContact O-NE2 3.08Å; C120-Q124 PolarHBondContact O-OE1 2.8Å; C120-V177 HydrophobicContact CB-CG2 3.93Å; C120-V177 VanDerWaalsContact SG-CA 3.57Å; C120-Y180 WeakPolarHBondContact SG-CD2 3.11Å
121F91.3Very high90.1Very high1 Ų133.8 Ų33.80%0.00420%0.195CC..Hα-helixtrans-114.6-37.7-170.3-70.3-81.5000114.1V12 L59 L61 L79 F82 F83 V117 E118 Q124 F126 I165 V177V12-F121 VanDerWaalsContact CB-O 3.23Å; V12-F121 WeakPolarHBondContact CB-O 3.06Å; L59-F121 HydrophobicContact CD2-CD1 3.98Å; L59-F121 HydrophobicContact CD2-CD2 3.95Å; L59-F121 HydrophobicContact CD2-CE1 3.7Å; L59-F121 HydrophobicContact CD2-CE2 3.66Å; L59-F121 HydrophobicContact CD2-CG 4.1Å; L59-F121 HydrophobicContact CD2-CZ 3.52Å; L61-F121 HydrophobicContact CD2-CB 4.41Å; L79-F121 HydrophobicContact CD2-CE1 4.43Å; L79-F121 HydrophobicContact CD2-CZ 4.14Å; F82-F121 HydrophobicContact CB-CE1 4.29Å; F82-F121 HydrophobicContact CB-CZ 3.67Å; F82-F121 HydrophobicContact CD1-CE1 4.21Å; F82-F121 HydrophobicContact CD1-CZ 4.41Å; F82-F121 HydrophobicContact CG-CE1 4.3Å; F82-F121 HydrophobicContact CG-CZ 4.17Å; F83-F121 HydrophobicContact CE2-CE2 4Å; F83-F121 HydrophobicContact CE2-CZ 4.21Å; F83-F121 HydrophobicContact CZ-CE2 4.47Å; V117-F121 HydrophobicContact CG1-CD2 3.63Å; V117-F121 HydrophobicContact CG1-CE2 4.04Å; V117-F121 WeakPolarHBondContact O-CD2 3.15Å; V117-F121 PolarHBondContact O-N 3.03Å; E118-F121 PolarHBondContact O-N 3.24Å; F121-Q124 PolarHBondContact O-N 2.94Å; F121-F126 HydrophobicContact CB-CE2 4.46Å; F121-F126 HydrophobicContact CD1-CE1 4.38Å; F121-F126 AromaticContact CD1-CE2 3.78Å; F121-F126 HydrophobicContact CD1-CE2 3.78Å; F121-F126 AromaticContact CD1-CZ 3.65Å; F121-F126 HydrophobicContact CD1-CZ 3.65Å; F121-F126 HydrophobicContact CE1-CZ 4.22Å; F121-F126 HydrophobicContact CG-CZ 4.49Å; F121-I165 HydrophobicContact CD1-CD1 4.41Å; F121-I165 HydrophobicContact CE1-CD1 3.91Å; F121-V177 HydrophobicContact CE2-CG2 4.05Å
122V91.8Very high88.9Confident53 Ų5332.1 Ų32.132%0.32119%0.186SC..THydrogen-bonded Turntrans-72.7139.1-173.2179.60000110.9V12 L15 E118 Q124V12-V122 HydrophobicContact CG1-CG2 4.32Å; L15-V122 HydrophobicContact CG-CG2 4.47Å; E118-V122 HydrophobicContact CB-CG2 4.28Å; E118-V122 HydrophobicContact CG-CG2 4.4Å; E118-V122 VanDerWaalsContact O-CB 3.29Å; E118-V122 WeakPolarHBondContact O-CB 3.39Å; E118-V122 PolarHBondContact O-N 3.12Å; V122-Q124 PolarHBondContact O-N 2.9Å; V122-Q124 VanDerWaalsContact O-N 3.11Å
123G89.6Confident87.3Confident63 Ų6334 Ų3465%0.64919%0.193SC*.THydrogen-bonded Turntrans77.5-21.9-17400000114.2V12V12-G123 PolarHBondContact O-N 3.41Å
124Q89.8Confident85.3Confident41 Ų4140.1 Ų40.119%0.19222%0.221CC..  trans-75.9159.5173.7-59.3-162.423.900111.8S11 V12 C120 F121 V122 F126S11-Q124 WeakPolarHBondContact CA-O 3.39Å; V12-Q124 PolarHBondContact N-O 3.3Å; C120-Q124 PolarHBondContact O-NE2 3.08Å; C120-Q124 PolarHBondContact O-OE1 2.8Å; F121-Q124 PolarHBondContact O-N 2.94Å; V122-Q124 PolarHBondContact O-N 2.9Å; V122-Q124 VanDerWaalsContact O-N 3.11Å; Q124-F126 HydrophobicContact CB-CE2 3.61Å; Q124-F126 HydrophobicContact CB-CZ 3.66Å
125S91.1Very high82.7Confident43 Ų4343.8 Ų43.830%0.30125%0.248SC..EExtended strand (participates in β ladder)trans-119.5136.8177.3-58.90000110A10 S11 P168A10-S125 WeakPolarHBondContact O-CA 3.49Å; S11-S125 WeakPolarHBondContact CB-OG 3.49Å; S11-S125 PolarHBondContact OG-OG 2.84Å; S125-P168 WeakPolarHBondContact O-CD 3.29Å; S125-P168 VanDerWaalsContact O-CG 3.24Å; S125-P168 WeakPolarHBondContact O-CG 3.49Å
126F91.8Very high80.1Confident1 Ų144.4 Ų44.40%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-132.3156.6-176.9-55.4-89.4000111.4L9 A10 V12 F82 F121 Q124 F128 I165 L167L9-F126 WeakPolarHBondContact CA-O 3.3Å; A10-F126 PolarHBondContact N-O 3.01Å; A10-F126 PolarHBondContact O-N 3.32Å; V12-F126 HydrophobicContact CG2-CD2 3.75Å; V12-F126 HydrophobicContact CG2-CE2 3.86Å; F82-F126 HydrophobicContact CD1-CE1 4.26Å; F82-F126 HydrophobicContact CE1-CD1 4.1Å; F82-F126 AromaticContact CE1-CE1 3.76Å; F82-F126 HydrophobicContact CE1-CE1 3.76Å; F121-F126 HydrophobicContact CB-CE2 4.46Å; F121-F126 HydrophobicContact CD1-CE1 4.38Å; F121-F126 AromaticContact CD1-CE2 3.78Å; F121-F126 HydrophobicContact CD1-CE2 3.78Å; F121-F126 AromaticContact CD1-CZ 3.65Å; F121-F126 HydrophobicContact CD1-CZ 3.65Å; F121-F126 HydrophobicContact CE1-CZ 4.22Å; F121-F126 HydrophobicContact CG-CZ 4.49Å; Q124-F126 HydrophobicContact CB-CE2 3.61Å; Q124-F126 HydrophobicContact CB-CZ 3.66Å; F126-F128 HydrophobicContact CB-CD2 4.34Å; F126-F128 HydrophobicContact CB-CE1 4.35Å; F126-F128 HydrophobicContact CB-CE2 3.8Å; F126-F128 HydrophobicContact CB-CZ 3.81Å; F126-F128 HydrophobicContact CD2-CZ 4.14Å; F126-F128 HydrophobicContact CG-CZ 4.36Å; F126-F128 WeakPolarHBondContact O-CD2 3.39Å; F126-I165 HydrophobicContact CB-CD1 4.15Å; F126-I165 HydrophobicContact CB-CG1 3.83Å; F126-I165 HydrophobicContact CD1-CD1 4Å; F126-I165 HydrophobicContact CD1-CG1 4.04Å; F126-I165 HydrophobicContact CD2-CD1 4.38Å; F126-I165 HydrophobicContact CG-CD1 3.92Å; F126-I165 HydrophobicContact CG-CG1 4.03Å; F126-L167 HydrophobicContact CD1-CD2 3.95Å; F126-L167 HydrophobicContact CD1-CG 4.36Å; F126-L167 HydrophobicContact CE1-CD2 3.61Å; F126-L167 HydrophobicContact CE1-CG 4.23Å
127I91.9Very high77.3Confident55 Ų5549.6 Ų49.628%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-94.3107.5170.8-57.3174.4000107.8F7 L9 I165 V166 P168F7-I127 HydrophobicContact CB-CG2 4.05Å; F7-I127 HydrophobicContact CD1-CG2 4Å; F7-I127 HydrophobicContact CG-CG2 4.4Å; L9-I127 HydrophobicContact CD1-CG1 4Å; I127-I165 WeakPolarHBondContact O-CA 3.16Å; I127-V166 HydrophobicContact CB-CB 4.49Å; I127-V166 PolarHBondContact N-O 2.88Å; I127-V166 PolarHBondContact O-N 3.11Å; I127-P168 HydrophobicContact CG1-CG 4.45Å
128F91.1Very high74.6Confident0 Ų054 Ų540%033%0.331CS..EExtended strand (participates in β ladder)trans-94.4126.2179.5-61.6-84.8000111.1F7 L8 A10 V12 L61 V63 I72 V74 F126 V130 A162 Q164 I165F7-F128 CarbonylContact C-O 3.58Å; F7-F128 WeakPolarHBondContact CA-O 3.36Å; L8-F128 HydrophobicContact CD2-CD2 4.24Å; L8-F128 PolarHBondContact N-O 2.83Å; L8-F128 PolarHBondContact O-N 3.33Å; A10-F128 HydrophobicContact CB-CD2 4.31Å; A10-F128 HydrophobicContact CB-CE2 4.23Å; V12-F128 HydrophobicContact CG2-CZ 4.21Å; L61-F128 HydrophobicContact CD1-CE1 3.83Å; L61-F128 HydrophobicContact CD1-CZ 3.85Å; V63-F128 HydrophobicContact CG1-CE2 4.24Å; V63-F128 HydrophobicContact CG1-CZ 4.25Å; I72-F128 HydrophobicContact CD1-CB 3.95Å; I72-F128 HydrophobicContact CD1-CD1 4Å; I72-F128 HydrophobicContact CD1-CD2 3.56Å; I72-F128 HydrophobicContact CD1-CE1 4.38Å; I72-F128 HydrophobicContact CD1-CE2 3.98Å; I72-F128 HydrophobicContact CD1-CG 3.56Å; I72-F128 HydrophobicContact CD1-CZ 4.36Å; I72-F128 HydrophobicContact CG2-CD1 3.97Å; I72-F128 HydrophobicContact CG2-CE1 4.34Å; I72-F128 HydrophobicContact CG2-CG 4.45Å; V74-F128 HydrophobicContact CG2-CD1 4.07Å; V74-F128 HydrophobicContact CG2-CE1 3.91Å; F126-F128 HydrophobicContact CB-CD2 4.34Å; F126-F128 HydrophobicContact CB-CE1 4.35Å; F126-F128 HydrophobicContact CB-CE2 3.8Å; F126-F128 HydrophobicContact CB-CZ 3.81Å; F126-F128 HydrophobicContact CD2-CZ 4.14Å; F126-F128 HydrophobicContact CG-CZ 4.36Å; F126-F128 WeakPolarHBondContact O-CD2 3.39Å; F128-V130 HydrophobicContact CB-CG2 4Å; F128-V130 PolarHBondContact O-N 3.32Å; F128-A162 HydrophobicContact CB-CB 4.26Å; F128-A162 HydrophobicContact CD1-CB 4.27Å; F128-Q164 WeakPolarHBondContact CA-O 3.39Å; F128-I165 HydrophobicContact CD1-CB 4.33Å; F128-I165 HydrophobicContact CD1-CD1 4.33Å; F128-I165 HydrophobicContact CD1-CG1 4.12Å; F128-I165 HydrophobicContact CE1-CB 4.49Å; F128-I165 HydrophobicContact CE1-CD1 3.66Å; F128-I165 HydrophobicContact CE1-CG1 3.91Å; F128-I165 HydrophobicContact CZ-CD1 4.28Å
129G89.4Confident71.9Confident0 Ų057.6 Ų57.60%035%0.348CS..EExtended strand (participates in β ladder)trans-84.694.8170.100000110.8A162 C163 Q164G129-A162 VanDerWaalsContact O-CA 3.3Å; G129-A162 WeakPolarHBondContact O-CA 3.2Å; G129-C163 PolarHBondContact O-N 3.32Å; G129-C163 PolarHBondContact O-SG 2.74Å; G129-C163 VanDerWaalsContact O-SG 3.41Å; G129-Q164 PolarHBondContact N-O 3Å
130V87Confident69.4Low0 Ų058.5 Ų58.50%037%0.371CS..EExtended strand (participates in β ladder)trans-95.3136.6-1721800000112K6 L8 F128 F133 L160 V161 A162K6-V130 PolarHBondContact N-O 3.03Å; K6-V130 PolarHBondContact O-N 3.45Å; L8-V130 HydrophobicContact CB-CG2 4.29Å; F128-V130 HydrophobicContact CB-CG2 4Å; F128-V130 PolarHBondContact O-N 3.32Å; V130-F133 HydrophobicContact CB-CD2 4.02Å; V130-F133 HydrophobicContact CB-CE2 4.21Å; V130-F133 HydrophobicContact CG1-CD2 3.63Å; V130-F133 HydrophobicContact CG1-CE2 3.98Å; V130-L160 HydrophobicContact CG1-CB 3.92Å; V130-L160 HydrophobicContact CG1-CD1 4.36Å; V130-L160 HydrophobicContact CG1-CD2 4.06Å; V130-L160 HydrophobicContact CG1-CG 4.34Å; V130-V161 WeakPolarHBondContact CA-O 3.47Å; V130-V161 WeakPolarHBondContact CG1-O 3.08Å; V130-A162 HydrophobicContact CG2-CB 4.41Å
131T70.4Confident66.9Low13 Ų1362.4 Ų62.48%0.0840%0.404CS..SBendtrans-115.5-5-172.658.60000115.6R3 V161 C163 F425R3-T131 PolarHBondContact NH1-O 2.67Å; T131-V161 PolarHBondContact N-O 3.45Å; T131-V161 PolarHBondContact OG1-O 3.17Å; T131-C163 HydrophobicContact CG2-CB 4.22Å; T131-F425 HydrophobicContact CG2-CD1 4.48Å; T131-F425 HydrophobicContact CG2-CE1 3.61Å; T131-F425 HydrophobicContact CG2-CZ 3.83Å
132N64.1Low64.2Low70 Ų7070.1 Ų70.137%0.37445%0.445SS..  trans-119.143.6175.9-77.8-15.9000111.3R3 E134R3-N132 PolarHBondContact NH1-OD1 3.11Å; N132-E134 PolarHBondContact O-N 3.04Å
133F57.5Low61.8Low63 Ų6372.7 Ų72.728%0.27647%0.472SS..  trans-69.9116.1164.2-109.4-91.4000109K6 L8 V130 S135 L160K6-F133 HydrophobicContact CB-CD2 3.87Å; K6-F133 HydrophobicContact CB-CE2 4.4Å; K6-F133 HydrophobicContact CB-CG 4.24Å; K6-F133 HydrophobicContact CD-CD1 4.02Å; K6-F133 HydrophobicContact CD-CD2 3.83Å; K6-F133 HydrophobicContact CD-CE1 3.88Å; K6-F133 HydrophobicContact CD-CE2 3.7Å; K6-F133 HydrophobicContact CD-CG 4.01Å; K6-F133 HydrophobicContact CD-CZ 3.73Å; K6-F133 HydrophobicContact CG-CD2 4.3Å; K6-F133 HydrophobicContact CG-CE2 4.39Å; L8-F133 HydrophobicContact CD1-CE2 3.7Å; L8-F133 HydrophobicContact CD1-CZ 3.6Å; V130-F133 HydrophobicContact CB-CD2 4.02Å; V130-F133 HydrophobicContact CB-CE2 4.21Å; V130-F133 HydrophobicContact CG1-CD2 3.63Å; V130-F133 HydrophobicContact CG1-CE2 3.98Å; F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 2.84Å; F133-L160 HydrophobicContact CD2-CD2 4.4Å; F133-L160 HydrophobicContact CE2-CD1 3.96Å; F133-L160 HydrophobicContact CE2-CD2 4.33Å; F133-L160 HydrophobicContact CZ-CD1 4.26Å
134E50.9Low59.3Low132 Ų13274.1 Ų74.162%0.61747%0.472SS*.  trans-6691.5165.9-175.5176.6-129.100108.4N132 H136N132-E134 PolarHBondContact O-N 3.04Å; E134-H136 PolarHBondContact O-N 3.26Å; E134-H136 VanDerWaalsContact O-N 3.16Å
135S36.8Very low56.7Low99 Ų9978.6 Ų78.669%0.69250%0.497SS*.  trans-69.9102.6164.554.90000107.6F133 P137F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 2.84Å; S135-P137 WeakPolarHBondContact O-CD 3.47Å; S135-P137 VanDerWaalsContact O-N 3.11Å
136H37Very low53.7Low128 Ų12886.7 Ų86.759%0.59353%0.528SS*.  trans-48.2120.9160.8-62.4-64.7000107.1E134 G138 R158E134-H136 PolarHBondContact O-N 3.26Å; E134-H136 VanDerWaalsContact O-N 3.16Å; H136-G138 PolarHBondContact O-N 3.47Å; H136-R158 PolarHBondContact NE2-NH2 3.14Å
137P33.9Very low51.3Low109 Ų10994.7 Ų94.771%0.70857%0.57SS**  trans-64.2115.2-174.323.9-32.2000108.7S135 Q139S135-P137 WeakPolarHBondContact O-CD 3.47Å; S135-P137 VanDerWaalsContact O-N 3.11Å; P137-Q139 PolarHBondContact O-N 3.1Å
138G37.5Very low48.9Very low92 Ų92101 Ų10195%0.94860%0.598SS**  trans-7180.5176.300000110.2H136H136-G138 PolarHBondContact O-N 3.47Å
139Q36.4Very low45.9Very low169 Ų169109.2 Ų109.279%0.7964%0.636SS**  trans-123115.4177.2-165.4156.82.400107.7P137 A141P137-Q139 PolarHBondContact O-N 3.1Å; Q139-A141 PolarHBondContact O-N 2.74Å
140G38.9Very low43.4Very low86 Ų86115.6 Ų115.689%0.88768%0.679SS**  trans-65.5123.8-17500000111.5
141A37.6Very low40.9Very low92 Ų92118.7 Ų118.776%0.7670%0.701SS**  trans-135.8140.2160.600000106.5Q139Q139-A141 PolarHBondContact O-N 2.74Å
142D32.7Very low39.2Very low163 Ų163125.7 Ų125.787%0.87274%0.738SS**  trans-68.5147.7-159.4-59.7-81.3000114.8S144D142-S144 PolarHBondContact O-N 2.68Å
143A42.1Very low37.8Very low107 Ų107130.9 Ų130.988%0.88476%0.759SS**  trans-77.4104.4173.600000110.8
144S36.6Very low37Very low94 Ų94136.6 Ų136.666%0.65778%0.784SS**  trans-163.4149.8142.256.20000112.5D142D142-S144 PolarHBondContact O-N 2.68Å
145N35.3Very low36.8Very low135 Ų135141.8 Ų141.872%0.72280%0.798SS**  trans56.189.1157.8-51.8-29.7000117.6
146F29.4Very low37.5Very low213 Ų213146 Ų14693%0.93480%0.804SS**  -154.3116.5105-95-68.7000110
147L41.3Very low38.5Very low169 Ų169142 Ų14289%0.88579%0.794SS**  trans-72.5159.3159.6-87.4165.7000109.1
148Q41.6Very low40.1Very low186 Ų186142.6 Ų142.687%0.86978%0.782SS**  trans70.867.5172.6-159.2169.512.100116.3
149Q27.5Very low42.1Very low173 Ų173142.6 Ų142.681%0.80877%0.767SS**  trans-130.873.1141-156.3167.332.100111.1S151Q149-S151 PolarHBondContact O-N 2.76Å; Q149-S151 VanDerWaalsContact O-N 3.16Å
150C37.6Very low44.4Very low135 Ų135134.8 Ų134.891%0.91273%0.731SS**  trans-70.5100.8160.8-66.70000108
151S34.3Very low46.6Very low65 Ų65131.7 Ų131.746%0.45570%0.695SS.*  trans-136128.4172.258.10000109.8Q149 H153Q149-S151 PolarHBondContact O-N 2.76Å; Q149-S151 VanDerWaalsContact O-N 3.16Å; S151-H153 PolarHBondContact O-N 2.84Å; S151-H153 PolarHBondContact O-ND1 2.91Å; S151-H153 VanDerWaalsContact O-ND1 3.08Å
152D34.8Very low49Very low159 Ų159127.3 Ų127.385%0.8566%0.658SS**  trans-52.397.5-164.6-67.5-85.3000114.8K154D152-K154 PolarHBondContact O-N 2.94Å
153H34.3Very low51.2Low179 Ų179120 Ų12083%0.82962%0.62SS**  trans-73.367.4160-78.854.1000109.1S151 R155S151-H153 PolarHBondContact O-N 2.84Å; S151-H153 PolarHBondContact O-ND1 2.91Å; S151-H153 VanDerWaalsContact O-ND1 3.08Å; H153-R155 PolarHBondContact O-N 2.86Å
154K40.8Very low53.3Low183 Ų183118.2 Ų118.280%0.79659%0.593SS**  trans-43.2115.4169.3-155.4171.6-169.9174.70106.4D152 K156D152-K154 PolarHBondContact O-N 2.94Å; K154-K156 PolarHBondContact O-N 3.22Å
155R45.8Very low55.8Low241 Ų241114.1 Ų114.191%0.90956%0.564SS**  trans-70.761-158-165.7-170.2-74.1174-3112.9H153 A157H153-R155 PolarHBondContact O-N 2.86Å; R155-A157 PolarHBondContact O-N 2.7Å; R155-A157 VanDerWaalsContact O-N 3.14Å
156K51.4Low58.3Low187 Ų187110.4 Ų110.481%0.81355%0.546SS*.  trans-57.4115177.8-72.6-174.5177-176.50108.3K154 R158K154-K156 PolarHBondContact O-N 3.22Å; K156-R158 PolarHBondContact O-N 3.16Å
157A58.2Low61Low46 Ų46102.1 Ų102.138%0.3851%0.511SS..PPolyproline II helixtrans-57.4130174.800000108.6V71 R155 S159V71-A157 HydrophobicContact CG2-CB 4.18Å; R155-A157 PolarHBondContact O-N 2.7Å; R155-A157 VanDerWaalsContact O-N 3.14Å; A157-S159 PolarHBondContact O-N 2.86Å; A157-S159 VanDerWaalsContact O-N 3.14Å
158R67.8Low62.9Low121 Ų12197.4 Ų97.446%0.45749%0.491SS..EExtended strand (participates in β ladder)trans-65.8118.7-178.2-71.8-175.9171.1-157.5-7.5108.5S70 V71 H136 K156S70-R158 WeakPolarHBondContact CA-O 3.16Å; S70-R158 WeakPolarHBondContact CB-O 3.28Å; V71-R158 PolarHBondContact N-O 2.87Å; H136-R158 PolarHBondContact NE2-NH2 3.14Å; K156-R158 PolarHBondContact O-N 3.16Å
159S78.9Confident64.6Low91 Ų9192.8 Ų92.864%0.63647%0.472SS*.EExtended strand (participates in β ladder)trans-78.8121.9173-173.90000108.8V71 A157V71-S159 CarbonylContact O-C 3.51Å; V71-S159 WeakPolarHBondContact O-CA 3.45Å; A157-S159 PolarHBondContact O-N 2.86Å; A157-S159 VanDerWaalsContact O-N 3.14Å
160L85Confident66.3Low6 Ų689.8 Ų89.83%0.03147%0.468CS..EExtended strand (participates in β ladder)trans-127.6148.6-173-65.3178.2000109.2L8 V71 I72 T73 V130 F133L8-L160 HydrophobicContact CD1-CD1 4.49Å; V71-L160 PolarHBondContact O-N 3.16Å; I72-L160 CarbonylContact C-O 3.6Å; I72-L160 WeakPolarHBondContact CA-O 3.31Å; I72-L160 HydrophobicContact CG1-CB 4.17Å; T73-L160 PolarHBondContact N-O 2.82Å; V130-L160 HydrophobicContact CG1-CB 3.92Å; V130-L160 HydrophobicContact CG1-CD1 4.36Å; V130-L160 HydrophobicContact CG1-CD2 4.06Å; V130-L160 HydrophobicContact CG1-CG 4.34Å; F133-L160 HydrophobicContact CD2-CD2 4.4Å; F133-L160 HydrophobicContact CE2-CD1 3.96Å; F133-L160 HydrophobicContact CE2-CD2 4.33Å; F133-L160 HydrophobicContact CZ-CD1 4.26Å
161V86.4Confident67.2Low21 Ų2186.5 Ų86.513%0.12746%0.457CS..EExtended strand (participates in β ladder)trans-116.7126.8177.1179.80000109.2F75 V130 T131 L422F75-V161 HydrophobicContact CD2-CG1 3.91Å; F75-V161 HydrophobicContact CE2-CG1 3.97Å; V130-V161 WeakPolarHBondContact CA-O 3.47Å; V130-V161 WeakPolarHBondContact CG1-O 3.08Å; T131-V161 PolarHBondContact N-O 3.45Å; T131-V161 PolarHBondContact OG1-O 3.17Å; V161-L422 HydrophobicContact CG1-CD1 3.63Å; V161-L422 HydrophobicContact CG1-CD2 3.72Å; V161-L422 HydrophobicContact CG1-CG 4.33Å
162A86.8Confident68.5Low0 Ų087 Ų870%046%0.456CS..EExtended strand (participates in β ladder)trans-107.9136176.800000111.2I72 T73 V74 F128 G129 V130I72-A162 HydrophobicContact CG2-CB 3.6Å; T73-A162 PolarHBondContact O-N 2.95Å; V74-A162 HydrophobicContact CG2-CB 4.22Å; F128-A162 HydrophobicContact CB-CB 4.26Å; F128-A162 HydrophobicContact CD1-CB 4.27Å; G129-A162 VanDerWaalsContact O-CA 3.3Å; G129-A162 WeakPolarHBondContact O-CA 3.2Å; V130-A162 HydrophobicContact CG2-CB 4.41Å
163C78.8Confident69.7Low10 Ų1083.3 Ų83.37%0.06845%0.449CS..EExtended strand (participates in β ladder)trans-102.9-1.3174.165.70000113.1G129 T131 F425 L426 L429G129-C163 PolarHBondContact O-N 3.32Å; G129-C163 PolarHBondContact O-SG 2.74Å; G129-C163 VanDerWaalsContact O-SG 3.41Å; T131-C163 HydrophobicContact CG2-CB 4.22Å; C163-F425 HydrophobicContact CB-CE1 3.81Å; C163-L426 HydrophobicContact CB-CD2 3.55Å; C163-L429 HydrophobicContact CB-CD1 3.98Å
164Q85.9Confident71.2Confident68 Ų6877 Ų7732%0.31843%0.432SS..EExtended strand (participates in β ladder)trans-155.5142.3-176.1-172.8177.86.500108.5F128 G129 V166F128-Q164 WeakPolarHBondContact CA-O 3.39Å; G129-Q164 PolarHBondContact N-O 3Å; Q164-V166 HydrophobicContact CG-CG2 3.97Å
165I90.2Very high73Confident8 Ų874.9 Ų74.94%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-138135.7173.2-178.6178.2000107.3V74 C78 L79 F82 F121 F126 I127 F128V74-I165 HydrophobicContact CG1-CB 4.33Å; V74-I165 HydrophobicContact CG1-CG2 3.99Å; C78-I165 VanDerWaalsContact O-CG2 3.31Å; C78-I165 WeakPolarHBondContact O-CG2 3.46Å; L79-I165 HydrophobicContact CD2-CG2 4.07Å; F82-I165 HydrophobicContact CD2-CG2 4.19Å; F82-I165 HydrophobicContact CE2-CG2 3.73Å; F82-I165 HydrophobicContact CZ-CG1 4.36Å; F82-I165 HydrophobicContact CZ-CG2 4.35Å; F121-I165 HydrophobicContact CD1-CD1 4.41Å; F121-I165 HydrophobicContact CE1-CD1 3.91Å; F126-I165 HydrophobicContact CB-CD1 4.15Å; F126-I165 HydrophobicContact CB-CG1 3.83Å; F126-I165 HydrophobicContact CD1-CD1 4Å; F126-I165 HydrophobicContact CD1-CG1 4.04Å; F126-I165 HydrophobicContact CD2-CD1 4.38Å; F126-I165 HydrophobicContact CG-CD1 3.92Å; F126-I165 HydrophobicContact CG-CG1 4.03Å; I127-I165 WeakPolarHBondContact O-CA 3.16Å; F128-I165 HydrophobicContact CD1-CB 4.33Å; F128-I165 HydrophobicContact CD1-CD1 4.33Å; F128-I165 HydrophobicContact CD1-CG1 4.12Å; F128-I165 HydrophobicContact CE1-CB 4.49Å; F128-I165 HydrophobicContact CE1-CD1 3.66Å; F128-I165 HydrophobicContact CE1-CG1 3.91Å; F128-I165 HydrophobicContact CZ-CD1 4.28Å
166V87.8Confident75.2Confident57 Ų5764.9 Ų64.935%0.34539%0.389SS..EExtended strand (participates in β ladder)trans-141.9143.2-177.7-1620000109.2I127 Q164I127-V166 HydrophobicContact CB-CB 4.49Å; I127-V166 PolarHBondContact N-O 2.88Å; I127-V166 PolarHBondContact O-N 3.11Å; Q164-V166 HydrophobicContact CG-CG2 3.97Å
167L85.6Confident77.1Confident40 Ų4056 Ų5621%0.20935%0.35CS..  trans-67.8141.6168.2-78.8162.6000110.5F82 F126 D169F82-L167 HydrophobicContact CE1-CD1 4.33Å; F82-L167 HydrophobicContact CE1-CG 4.04Å; F126-L167 HydrophobicContact CD1-CD2 3.95Å; F126-L167 HydrophobicContact CD1-CG 4.36Å; F126-L167 HydrophobicContact CE1-CD2 3.61Å; F126-L167 HydrophobicContact CE1-CG 4.23Å; L167-D169 PolarHBondContact O-N 2.86Å
168P81.1Confident78.7Confident69 Ų6954.7 Ų54.745%0.44834%0.336SS..SBendtrans-63.9-27.8174.9-2233.9000113.2L9 S125 I127L9-P168 HydrophobicContact CD1-CB 4.48Å; L9-P168 HydrophobicContact CD1-CG 3.81Å; S125-P168 WeakPolarHBondContact O-CD 3.29Å; S125-P168 VanDerWaalsContact O-CG 3.24Å; S125-P168 WeakPolarHBondContact O-CG 3.49Å; I127-P168 HydrophobicContact CG1-CG 4.45Å
169D77Confident79.8Confident89 Ų8952.4 Ų52.448%0.47633%0.333SS..  trans-126.6112.2170.8-174.7-10.5000109.3L167 G171 V172L167-D169 PolarHBondContact O-N 2.86Å; D169-G171 PolarHBondContact O-N 2.87Å; D169-G171 WeakPolarHBondContact OD1-CA 3.47Å; D169-G171 PolarHBondContact OD1-N 3.45Å; D169-V172 HydrophobicContact CB-CG2 4.09Å; D169-V172 PolarHBondContact O-N 3.43Å
170P63.1Low80.4Confident111 Ų11150 Ų5072%0.72131%0.31SS*.THydrogen-bonded Turntrans-72.9-10.7177.731.8-35.7000113.5V172P170-V172 VanDerWaalsContact C-N 3.31Å
171G58.3Low80.7Confident66 Ų6649.7 Ų49.768%0.6831%0.309SS*.THydrogen-bonded Turntrans-73.8-20.9172.300000113.4D169 A173D169-G171 PolarHBondContact O-N 2.87Å; D169-G171 WeakPolarHBondContact OD1-CA 3.47Å; D169-G171 PolarHBondContact OD1-N 3.45Å; G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.49Å
172V61.7Low80.8Confident74 Ų7450.3 Ų50.345%0.44831%0.314SS..  trans-93.551.2177.6-165.40000110.4D169 P170 G174 W239D169-V172 HydrophobicContact CB-CG2 4.09Å; D169-V172 PolarHBondContact O-N 3.43Å; P170-V172 VanDerWaalsContact C-N 3.31Å; V172-G174 PolarHBondContact O-N 3.47Å; V172-W239 HydrophobicContact CG1-CZ2 4.18Å
173A58.7Low81Confident83 Ų8355.5 Ų55.569%0.68634%0.338SS*.  trans-71.695.1171.600000109.7G171G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.49Å
174G67.1Low81.5Confident46 Ų4656.6 Ų56.647%0.47434%0.343SS..  trans-73.2-179.6173.500000113.2V172V172-G174 PolarHBondContact O-N 3.47Å
175F78.5Confident81.6Confident139 Ų13953.6 Ų53.661%0.6133%0.329SS*.  trans-59.2146.3169.2-69.2-78000111.1D179 Y180F175-D179 HydrophobicContact CB-CB 3.99Å; F175-D179 HydrophobicContact CD1-CB 3.96Å; F175-D179 HydrophobicContact CG-CB 4.42Å; F175-Y180 HydrophobicContact CB-CD2 3.89Å; F175-Y180 HydrophobicContact CB-CE2 3.49Å; F175-Y180 VanDerWaalsContact CB-CE2 3.49Å; F175-Y180 WeakPolarHBondContact O-CE2 3.33Å
176T91.5Very high81.4Confident31 Ų3158.7 Ų58.719%0.1935%0.353CS..  trans-83.5167.2179.766.50000111.9F82 I178 D179 Y180F82-T176 WeakPolarHBondContact O-CA 3.34Å; F82-T176 WeakPolarHBondContact O-CB 3.47Å; T176-I178 PolarHBondContact O-N 3.22Å; T176-I178 VanDerWaalsContact OG1-CG2 3.24Å; T176-I178 WeakPolarHBondContact OG1-CG2 3.36Å; T176-D179 WeakPolarHBondContact CB-OD2 3.3Å; T176-D179 PolarHBondContact N-OD2 2.95Å; T176-D179 WeakPolarHBondContact O-CB 3.42Å; T176-D179 PolarHBondContact O-N 3.38Å; T176-D179 VanDerWaalsContact OG1-CG 3.25Å; T176-D179 PolarHBondContact OG1-OD2 3.48Å; T176-Y180 WeakPolarHBondContact O-CD2 3.29Å; T176-Y180 PolarHBondContact O-N 2.94Å; T176-Y180 VanDerWaalsContact O-N 3.16Å
177V91.8Very high81.2Confident0 Ų059.8 Ų59.80%036%0.36CS..Hα-helixtrans-55.4-40.8176.6-177.10000111.4F82 F83 L113 A116 V117 C120 F121 D179 Y180 F181F82-V177 PolarHBondContact O-N 3.46Å; F83-V177 HydrophobicContact CB-CB 4.43Å; F83-V177 HydrophobicContact CB-CG2 4.48Å; F83-V177 HydrophobicContact CD1-CB 3.81Å; F83-V177 HydrophobicContact CD1-CG1 3.88Å; F83-V177 HydrophobicContact CD1-CG2 3.84Å; F83-V177 HydrophobicContact CD2-CG2 4.23Å; F83-V177 HydrophobicContact CE1-CB 4.3Å; F83-V177 HydrophobicContact CE1-CG1 4.01Å; F83-V177 HydrophobicContact CE1-CG2 4.08Å; F83-V177 HydrophobicContact CE2-CG2 4.44Å; F83-V177 HydrophobicContact CG-CB 4.17Å; F83-V177 HydrophobicContact CG-CG2 3.94Å; F83-V177 HydrophobicContact CZ-CG2 4.37Å; L113-V177 HydrophobicContact CD1-CG1 4.04Å; A116-V177 HydrophobicContact CB-CG1 3.92Å; V117-V177 HydrophobicContact CG2-CG1 3.57Å; V117-V177 HydrophobicContact CG2-CG2 4.22Å; C120-V177 HydrophobicContact CB-CG2 3.93Å; C120-V177 VanDerWaalsContact SG-CA 3.57Å; F121-V177 HydrophobicContact CE2-CG2 4.05Å; V177-D179 VanDerWaalsContact C-N 3.34Å; V177-D179 PolarHBondContact O-N 3.09Å; V177-Y180 PolarHBondContact O-N 3.47Å; V177-F181 VanDerWaalsContact O-CB 3.22Å; V177-F181 WeakPolarHBondContact O-CB 3.33Å; V177-F181 PolarHBondContact O-N 2.9Å
178I92.1Very high81Confident19 Ų1961.3 Ų61.310%0.09737%0.365CS..Hα-helixtrans-66.4-33.8178.8-171.259.8000112.5F83 L85 L90 Y93 T176 F181 C182F83-I178 WeakPolarHBondContact O-CB 3.34Å; F83-I178 WeakPolarHBondContact O-CG2 3.29Å; F83-I178 PolarHBondContact O-N 2.89Å; F83-I178 VanDerWaalsContact O-N 3.16Å; L85-I178 HydrophobicContact CD1-CB 4.32Å; L85-I178 HydrophobicContact CD1-CD1 3.91Å; L85-I178 HydrophobicContact CD1-CG1 3.81Å; L85-I178 HydrophobicContact CG-CB 4.32Å; L85-I178 HydrophobicContact CG-CG1 4.2Å; L85-I178 HydrophobicContact CG-CG2 4.3Å; L90-I178 HydrophobicContact CD1-CD1 4.43Å; Y93-I178 HydrophobicContact CD1-CD1 4.04Å; Y93-I178 HydrophobicContact CD2-CD1 4Å; Y93-I178 HydrophobicContact CE1-CD1 3.98Å; Y93-I178 HydrophobicContact CE2-CD1 3.9Å; Y93-I178 HydrophobicContact CG-CD1 4.07Å; T176-I178 PolarHBondContact O-N 3.22Å; T176-I178 VanDerWaalsContact OG1-CG2 3.24Å; T176-I178 WeakPolarHBondContact OG1-CG2 3.36Å; I178-F181 HydrophobicContact CD1-CD1 4.04Å; I178-F181 PolarHBondContact O-N 3.35Å; I178-C182 WeakPolarHBondContact O-CB 3.45Å; I178-C182 PolarHBondContact O-N 2.88Å; I178-C182 PolarHBondContact O-SG 3.07Å
179D90.3Very high80.6Confident73 Ų7360.8 Ų60.839%0.3936%0.358SS..Hα-helixtrans-65.5-49.8176.7-60.2-51.4000111F175 T176 V177 F181 C182 Q183F175-D179 HydrophobicContact CB-CB 3.99Å; F175-D179 HydrophobicContact CD1-CB 3.96Å; F175-D179 HydrophobicContact CG-CB 4.42Å; T176-D179 WeakPolarHBondContact CB-OD2 3.3Å; T176-D179 PolarHBondContact N-OD2 2.95Å; T176-D179 WeakPolarHBondContact O-CB 3.42Å; T176-D179 PolarHBondContact O-N 3.38Å; T176-D179 VanDerWaalsContact OG1-CG 3.25Å; T176-D179 PolarHBondContact OG1-OD2 3.48Å; V177-D179 VanDerWaalsContact C-N 3.34Å; V177-D179 PolarHBondContact O-N 3.09Å; D179-F181 VanDerWaalsContact C-N 3.33Å; D179-F181 PolarHBondContact O-N 2.89Å; D179-C182 PolarHBondContact O-N 3.37Å; D179-Q183 WeakPolarHBondContact O-CB 3.32Å; D179-Q183 PolarHBondContact O-N 3.29Å
180Y90.8Very high80.2Confident39 Ų3963.5 Ų63.515%0.15337%0.366CS..Hα-helixtrans-63.4-37.5175.5-75.9-70.2000112.2T119 C120 F175 T176 V177 Q183 L184T119-Y180 HydrophobicContact CG2-CD1 3.99Å; T119-Y180 HydrophobicContact CG2-CE1 3.81Å; T119-Y180 HydrophobicContact CG2-CE2 4.41Å; T119-Y180 HydrophobicContact CG2-CG 4.38Å; C120-Y180 WeakPolarHBondContact SG-CD2 3.11Å; F175-Y180 HydrophobicContact CB-CD2 3.89Å; F175-Y180 HydrophobicContact CB-CE2 3.49Å; F175-Y180 VanDerWaalsContact CB-CE2 3.49Å; F175-Y180 WeakPolarHBondContact O-CE2 3.33Å; T176-Y180 WeakPolarHBondContact O-CD2 3.29Å; T176-Y180 PolarHBondContact O-N 2.94Å; T176-Y180 VanDerWaalsContact O-N 3.16Å; V177-Y180 PolarHBondContact O-N 3.47Å; Y180-Q183 PolarHBondContact O-N 3.48Å; Y180-L184 WeakPolarHBondContact O-CB 3.46Å; Y180-L184 VanDerWaalsContact O-CG 3.29Å; Y180-L184 WeakPolarHBondContact O-CG 3.48Å; Y180-L184 PolarHBondContact O-N 3.43Å
181F91.5Very high80.5Confident0 Ų067.4 Ų67.40%037%0.366CS..Hα-helixtrans-66.3-43.7176.4-176-124.8000111.7Y93 I100 T109 L112 L113 A116 V177 I178 D179 Q183 L184 L185Y93-F181 HydrophobicContact CD1-CD1 4.36Å; Y93-F181 AromaticContact CD1-CE1 3.97Å; Y93-F181 HydrophobicContact CD1-CE1 3.97Å; Y93-F181 AromaticContact CE1-CD1 3.94Å; Y93-F181 HydrophobicContact CE1-CD1 3.94Å; Y93-F181 AromaticContact CE1-CE1 3.71Å; Y93-F181 HydrophobicContact CE1-CE1 3.71Å; I100-F181 HydrophobicContact CD1-CZ 4.47Å; T109-F181 HydrophobicContact CG2-CZ 3.88Å; L112-F181 HydrophobicContact CB-CD2 4.21Å; L112-F181 HydrophobicContact CB-CE2 3.89Å; L113-F181 HydrophobicContact CB-CD2 4.06Å; L113-F181 HydrophobicContact CB-CE2 3.8Å; L113-F181 HydrophobicContact CB-CZ 4.32Å; L113-F181 HydrophobicContact CD1-CD1 4.47Å; L113-F181 HydrophobicContact CD1-CD2 4.3Å; L113-F181 HydrophobicContact CD1-CG 4.25Å; A116-F181 HydrophobicContact CB-CB 3.97Å; V177-F181 VanDerWaalsContact O-CB 3.22Å; V177-F181 WeakPolarHBondContact O-CB 3.33Å; V177-F181 PolarHBondContact O-N 2.9Å; I178-F181 HydrophobicContact CD1-CD1 4.04Å; I178-F181 PolarHBondContact O-N 3.35Å; D179-F181 VanDerWaalsContact C-N 3.33Å; D179-F181 PolarHBondContact O-N 2.89Å; F181-Q183 VanDerWaalsContact C-N 3.34Å; F181-Q183 PolarHBondContact O-N 3.39Å; F181-L184 PolarHBondContact O-N 2.04Å; F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD2-CD1 4.48Å; F181-L185 HydrophobicContact CD2-CG 4.43Å; F181-L185 HydrophobicContact CE1-CD1 3.7Å; F181-L185 HydrophobicContact CE2-CD1 4.24Å; F181-L185 HydrophobicContact CE2-CD2 4.4Å; F181-L185 HydrophobicContact CE2-CG 4.2Å; F181-L185 HydrophobicContact CG-CD1 4.35Å; F181-L185 HydrophobicContact CZ-CD1 3.85Å; F181-L185 HydrophobicContact CZ-CD2 4.38Å; F181-L185 HydrophobicContact CZ-CG 4.26Å; F181-L185 WeakPolarHBondContact O-CB 3.36Å; F181-L185 WeakPolarHBondContact O-CG 3.39Å; F181-L185 PolarHBondContact O-N 2.91Å
182C89.2Confident80.7Confident35 Ų3567.6 Ų67.624%0.23635%0.349CS..Hα-helixtrans-59.3-44172.3-70.50000111.7Y93 I178 D179 L185 Q186Y93-C182 PolarHBondContact OH-SG 3.48Å; I178-C182 WeakPolarHBondContact O-CB 3.45Å; I178-C182 PolarHBondContact O-N 2.88Å; I178-C182 PolarHBondContact O-SG 3.07Å; D179-C182 PolarHBondContact O-N 3.37Å; C182-L185 PolarHBondContact O-N 2.87Å; C182-Q186 VanDerWaalsContact O-CG 3.3Å; C182-Q186 WeakPolarHBondContact O-CG 3.1Å; C182-Q186 PolarHBondContact O-N 3.34Å
183Q90.6Very high80.4Confident109 Ų10969.7 Ų69.751%0.50936%0.356SS..Hα-helixtrans-62.9-44.4177.2-172.3-17810.300111.7D179 Y180 F181 Q186 T187D179-Q183 WeakPolarHBondContact O-CB 3.32Å; D179-Q183 PolarHBondContact O-N 3.29Å; Y180-Q183 PolarHBondContact O-N 3.48Å; F181-Q183 VanDerWaalsContact C-N 3.34Å; F181-Q183 PolarHBondContact O-N 3.39Å; Q183-Q186 PolarHBondContact O-N 2.78Å; Q183-T187 WeakPolarHBondContact O-CG2 3.41Å; Q183-T187 PolarHBondContact O-N 2.9Å; Q183-T187 PolarHBondContact O-OG1 3.41Å
184L89.4Confident80.1Confident32 Ų3272 Ų7217%0.16835%0.353CS..Hα-helixtrans-62.9-47.2177.2-76.2170.7000111.6L112 K115 A116 Y180 F181 Q186 T187 F188L112-L184 HydrophobicContact CD2-CB 4.38Å; K115-L184 HydrophobicContact CB-CD1 4.25Å; K115-L184 HydrophobicContact CD-CD1 4.46Å; K115-L184 HydrophobicContact CD-CD2 4.42Å; K115-L184 HydrophobicContact CG-CD1 4.23Å; A116-L184 HydrophobicContact CB-CD1 4.13Å; Y180-L184 WeakPolarHBondContact O-CB 3.46Å; Y180-L184 VanDerWaalsContact O-CG 3.29Å; Y180-L184 WeakPolarHBondContact O-CG 3.48Å; Y180-L184 PolarHBondContact O-N 3.43Å; F181-L184 PolarHBondContact O-N 2.04Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.08Å; L184-T187 PolarHBondContact O-N 3.45Å; L184-T187 PolarHBondContact O-OG1 3.38Å; L184-F188 PolarHBondContact O-N 2.76Å
185L87.5Confident78.9Confident5 Ų574.2 Ų74.23%0.02636%0.36CS..Hα-helixtrans-56.4-45.2174.6-74.3170.5000111.8Y93 I100 L104 L112 F181 C182 F188 N189Y93-L185 HydrophobicContact CE1-CD1 4.14Å; I100-L185 HydrophobicContact CG1-CD1 4.16Å; I100-L185 HydrophobicContact CG1-CD2 4.4Å; L104-L185 HydrophobicContact CD2-CD2 3.5Å; L112-L185 HydrophobicContact CD1-CD2 3.96Å; F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD2-CD1 4.48Å; F181-L185 HydrophobicContact CD2-CG 4.43Å; F181-L185 HydrophobicContact CE1-CD1 3.7Å; F181-L185 HydrophobicContact CE2-CD1 4.24Å; F181-L185 HydrophobicContact CE2-CD2 4.4Å; F181-L185 HydrophobicContact CE2-CG 4.2Å; F181-L185 HydrophobicContact CG-CD1 4.35Å; F181-L185 HydrophobicContact CZ-CD1 3.85Å; F181-L185 HydrophobicContact CZ-CD2 4.38Å; F181-L185 HydrophobicContact CZ-CG 4.26Å; F181-L185 WeakPolarHBondContact O-CB 3.36Å; F181-L185 WeakPolarHBondContact O-CG 3.39Å; F181-L185 PolarHBondContact O-N 2.91Å; C182-L185 PolarHBondContact O-N 2.87Å; L185-F188 PolarHBondContact O-N 2.77Å; L185-N189 PolarHBondContact O-N 3.01Å; L185-N189 PolarHBondContact O-ND2 3.01Å; L185-N189 PolarHBondContact O-OD1 2.96Å
186Q85Confident77.1Confident116 Ų11673.1 Ų73.154%0.54236%0.361SS..Hα-helixtrans-59.5-48.8175.3-73.5172.31100111.7C182 Q183 L184 F188 N189 F190C182-Q186 VanDerWaalsContact O-CG 3.3Å; C182-Q186 WeakPolarHBondContact O-CG 3.1Å; C182-Q186 PolarHBondContact O-N 3.34Å; Q183-Q186 PolarHBondContact O-N 2.78Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.08Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 3.16Å; Q186-N189 PolarHBondContact O-N 2.87Å; Q186-F190 WeakPolarHBondContact O-CD2 3.3Å; Q186-F190 PolarHBondContact O-N 3.49Å; Q186-F190 VanDerWaalsContact O-N 3.13Å
187T84.3Confident74.9Confident79 Ų7975.3 Ų75.349%0.48538%0.377SS..Hα-helixtrans-63.6-32.8178.558.70000113.2Q183 L184 R191Q183-T187 WeakPolarHBondContact O-CG2 3.41Å; Q183-T187 PolarHBondContact O-N 2.9Å; Q183-T187 PolarHBondContact O-OG1 3.41Å; L184-T187 PolarHBondContact O-N 3.45Å; L184-T187 PolarHBondContact O-OG1 3.38Å; T187-R191 WeakPolarHBondContact O-CB 3.3Å; T187-R191 PolarHBondContact O-N 3.13Å; T187-R191 VanDerWaalsContact O-N 3.12Å
188F81Confident72.4Confident72 Ų7281.1 Ų81.132%0.31640%0.404SS..Hα-helixtrans-65.6-44.3174.8-168.6-85000111.3L104 T108 L112 L184 L185 Q186 R191 K192L104-F188 HydrophobicContact CD1-CD1 3.78Å; L104-F188 HydrophobicContact CD1-CE1 3.37Å; L104-F188 HydrophobicContact CD1-CE2 4.45Å; L104-F188 HydrophobicContact CD1-CG 4.48Å; L104-F188 HydrophobicContact CD1-CZ 3.75Å; T108-F188 HydrophobicContact CG2-CE2 3.95Å; T108-F188 HydrophobicContact CG2-CZ 4Å; L112-F188 HydrophobicContact CD1-CB 4.24Å; L112-F188 HydrophobicContact CD1-CD2 4.25Å; L112-F188 HydrophobicContact CD1-CG 4.29Å; L184-F188 PolarHBondContact O-N 2.76Å; L185-F188 PolarHBondContact O-N 2.77Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 3.16Å; F188-R191 PolarHBondContact O-N 3.01Å; F188-K192 PolarHBondContact O-N 2.89Å
189N73.9Confident69.8Low58 Ų5885.4 Ų85.431%0.3144%0.442SS..Hα-helixtrans-62.4-45179-65.6-14.3000112.4P101 L185 Q186 R191 K192 L193P101-N189 VanDerWaalsContact CG-OD1 3.24Å; P101-N189 WeakPolarHBondContact CG-OD1 3.32Å; L185-N189 PolarHBondContact O-N 3.01Å; L185-N189 PolarHBondContact O-ND2 3.01Å; L185-N189 PolarHBondContact O-OD1 2.96Å; Q186-N189 PolarHBondContact O-N 2.87Å; N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 3.41Å; N189-K192 PolarHBondContact O-N 3Å; N189-L193 WeakPolarHBondContact O-CG 3.46Å; N189-L193 PolarHBondContact O-N 3.45Å
190F68.6Low67.2Low147 Ų14786.4 Ų86.465%0.64545%0.453SS*.Hα-helixtrans-60.8-42.3174.4-72.2-63.7000112Q186 Q194Q186-F190 WeakPolarHBondContact O-CD2 3.3Å; Q186-F190 PolarHBondContact O-N 3.49Å; Q186-F190 VanDerWaalsContact O-N 3.13Å; F190-Q194 WeakPolarHBondContact O-CB 3.5Å; F190-Q194 PolarHBondContact O-N 3.41Å; F190-Q194 VanDerWaalsContact O-N 3.14Å
191R69.7Low64.1Low192 Ų19292.1 Ų92.173%0.72549%0.486SS*.Hα-helixtrans-65-39.7178.8-161.3-178.8-156.6-156.35112.3T187 F188 N189 Q194 C195T187-R191 WeakPolarHBondContact O-CB 3.3Å; T187-R191 PolarHBondContact O-N 3.13Å; T187-R191 VanDerWaalsContact O-N 3.12Å; F188-R191 PolarHBondContact O-N 3.01Å; N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 3.41Å; R191-Q194 PolarHBondContact O-N 2.95Å; R191-C195 PolarHBondContact O-N 3.47Å
192K61.4Low61.1Low71 Ų7199.7 Ų99.731%0.30953%0.526SS..Hα-helixtrans-66-49.5177.1-179.1168.8-179.6178.20111.6T103 F188 N189 Q194 C195 D196T103-K192 VanDerWaalsContact CB-NZ 3.34Å; T103-K192 PolarHBondContact OG1-NZ 3.46Å; F188-K192 PolarHBondContact O-N 2.89Å; N189-K192 PolarHBondContact O-N 3Å; K192-Q194 PolarHBondContact O-N 3.37Å; K192-C195 PolarHBondContact O-N 3.38Å; K192-D196 VanDerWaalsContact CE-OD2 3.24Å; K192-D196 WeakPolarHBondContact CE-OD2 3.43Å; K192-D196 VanDerWaalsContact CG-OD2 3.27Å; K192-D196 WeakPolarHBondContact CG-OD2 3.36Å; K192-D196 PolarHBondContact O-N 2.82Å
193L56.6Low58.3Low117 Ų117106.1 Ų106.161%0.61355%0.553SS**Hα-helixtrans-54.5-37.2176.3-74.4165.9000112.5N189 S197N189-L193 WeakPolarHBondContact O-CG 3.46Å; N189-L193 PolarHBondContact O-N 3.45Å; L193-S197 VanDerWaalsContact O-CB 3.25Å; L193-S197 WeakPolarHBondContact O-CB 3.32Å; L193-S197 PolarHBondContact O-N 2.99Å; L193-S197 PolarHBondContact O-OG 3.42Å
194Q51Low55.3Low133 Ų133109.1 Ų109.162%0.62157%0.572SS**Hα-helixtrans-76-20.2178.7-164.7172.120.500114.3F190 R191 K192 H198F190-Q194 WeakPolarHBondContact O-CB 3.5Å; F190-Q194 PolarHBondContact O-N 3.41Å; F190-Q194 VanDerWaalsContact O-N 3.14Å; R191-Q194 PolarHBondContact O-N 2.95Å; K192-Q194 PolarHBondContact O-N 3.37Å; Q194-H198 PolarHBondContact O-CD2 3.49Å
195C42.3Very low52.6Low91 Ų91115.4 Ų115.462%0.61560%0.604SS**Hα-helixtrans-83-45.4168.7-74.90000111.2R191 K192 S197 H198R191-C195 PolarHBondContact O-N 3.47Å; K192-C195 PolarHBondContact O-N 3.38Å; C195-S197 PolarHBondContact O-N 3.31Å; C195-H198 PolarHBondContact O-N 2.9Å
196D41.4Very low50Low117 Ų117120.5 Ų120.563%0.62664%0.641SS**Hα-helixtrans-67.6-20.9-178.3-63.6-17.3000112.1K192K192-D196 VanDerWaalsContact CE-OD2 3.24Å; K192-D196 WeakPolarHBondContact CE-OD2 3.43Å; K192-D196 VanDerWaalsContact CG-OD2 3.27Å; K192-D196 WeakPolarHBondContact CG-OD2 3.36Å; K192-D196 PolarHBondContact O-N 2.82Å
197S45.2Very low47.2Very low77 Ų77122.9 Ų122.954%0.53866%0.656SS.*THydrogen-bonded Turntrans-89.1-0.7177.375.10000115.7L193 C195L193-S197 VanDerWaalsContact O-CB 3.25Å; L193-S197 WeakPolarHBondContact O-CB 3.32Å; L193-S197 PolarHBondContact O-N 2.99Å; L193-S197 PolarHBondContact O-OG 3.42Å; C195-S197 PolarHBondContact O-N 3.31Å
198H38.6Very low44.6Very low121 Ų121125.1 Ų125.156%0.5667%0.665SS**  trans-136.393-167.7-81.9-45.1000114.9Q194 C195 P200Q194-H198 PolarHBondContact O-CD2 3.49Å; C195-H198 PolarHBondContact O-N 2.9Å; H198-P200 VanDerWaalsContact O-CD 3.26Å; H198-P200 WeakPolarHBondContact O-CD 3.39Å
199A36.6Very low42.3Very low109 Ų109130.3 Ų130.390%0.90169%0.69SS**  trans-101.885.4145.200000110.1
200P36.3Very low40.1Very low95 Ų95133 Ų13362%0.61771%0.713SS**  trans-84.3143.3167.434.7-31.5000110H198 N202H198-P200 VanDerWaalsContact O-CD 3.26Å; H198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-N202 PolarHBondContact O-N 2.81Å
201N26.7Very low38.5Very low159 Ų159134 Ų13485%0.8573%0.726SS**  trans-64.4129.3176.7-82.6-43000111.7H203N201-H203 VanDerWaalsContact C-N 3.27Å; N201-H203 PolarHBondContact O-N 3.4Å
202N28.3Very low36.5Very low158 Ų158130.4 Ų130.485%0.84573%0.73SS**  trans-72.572.6172.8-88.5-30.6000112P200P200-N202 PolarHBondContact O-N 2.81Å
203H30.4Very low35.2Very low171 Ų171134.7 Ų134.779%0.79276%0.756SS**  trans-146.788.2167-76.5-52.2000112.5N201N201-H203 VanDerWaalsContact C-N 3.27Å; N201-H203 PolarHBondContact O-N 3.4Å
204L27.5Very low34Very low172 Ų172137.1 Ų137.190%0.90177%0.768SS**  177.7130.7122.3-95.4161.5000110.7
205L32.8Very low33Very low164 Ų164136 Ų13686%0.85978%0.775SS**  trans-98.2157.4162.6-73.6169.3000108.7
206S31.8Very low32.4Very low112 Ų112137 Ų13778%0.78378%0.783SS**  trans65.296.2164.9-174.10000117.4
207L26.9Very low32Very low165 Ų165138.2 Ų138.286%0.86479%0.788SS**  -148151.1129.6-162.955.6000111
208D29Very low31.4Very low127 Ų127145.2 Ų145.268%0.67981%0.805SS**  trans-78.5178.1-171.2-65.1-80.2000115.5
209H34.3Very low31Very low180 Ų180144.5 Ų144.583%0.83381%0.809SS**  trans-36.6133173.7-54.1-83.4000115.8
210S27.1Very low30.6Very low114 Ų114144.6 Ų144.680%0.79780%0.803SS**  trans-155.2133.4148.4-81.40000111.1
211N34.5Very low30.4Very low170 Ų170147 Ų14791%0.90981%0.81SS**  trans-79.8130.1162.2-68.3-29000108.2
212S27.7Very low30.4Very low116 Ų116144 Ų14481%0.81180%0.802SS**  trans-156.2131.8161-81.50000109.8
213D34.7Very low30.7Very low160 Ų160143.5 Ų143.586%0.85681%0.805SS**  trans-66.3137.7167.9-56.7-87.6000110.8
214L31.3Very low30.5Very low168 Ų168139.6 Ų139.688%0.8880%0.797SS**  trans-146.1124.8144.2-86.5-169.3000111.1
215S29.6Very low30.6Very low109 Ų109142.2 Ų142.276%0.76280%0.796SS**  trans-69.1132.6155.654.70000110
216S29.8Very low30.2Very low112 Ų112143.4 Ų143.478%0.78380%0.795SS**  trans-129.1127.315563.80000109.8
217I33.9Very low30.1Very low143 Ų143147.6 Ų147.673%0.73380%0.799SS**  trans-98.3119.7174.4-63.2170.7000106.6
218Y31.9Very low30.1Very low225 Ų225148.5 Ų148.588%0.88280%0.796SS**  trans-130.8103.6153.9-96.2-76.8000109.7
219T30.1Very low30Very low106 Ų106147.5 Ų147.565%0.6580%0.799SS**  trans-64.3131.3168.3-46.10000108.9
220S27.8Very low29.6Very low110 Ų110143.5 Ų143.577%0.76979%0.79SS**  trans-135.499.3164.7-167.20000108.1S222S220-S222 PolarHBondContact O-N 2.92Å
221D31.5Very low29.6Very low145 Ų145142.3 Ų142.378%0.77578%0.782SS**  trans-70.1120.7175.8-75.1-60.5000109.8
222S27.3Very low29.7Very low98 Ų98143.8 Ų143.869%0.68578%0.78SS**  trans-143.5100.5167.2-84.50000109.8S220 S224S220-S222 PolarHBondContact O-N 2.92Å; S222-S224 VanDerWaalsContact C-N 3.34Å; S222-S224 PolarHBondContact O-N 3.2Å
223T34.6Very low29.9Very low146 Ų146145.7 Ų145.790%0.89678%0.782SS**  trans-69.483.8-179.344.90000111.5
224S27.5Very low29.9Very low89 Ų89142.9 Ų142.962%0.62277%0.77SS**  trans-101.2146.5163.160.90000110.3S222 F226S222-S224 VanDerWaalsContact C-N 3.34Å; S222-S224 PolarHBondContact O-N 3.2Å; S224-F226 PolarHBondContact O-N 3Å; S224-F226 VanDerWaalsContact O-N 3.09Å
225Y28.1Very low30Very low227 Ų227142 Ų14289%0.8976%0.76SS**  trans-73.9103.3-168.6-83.5-104.5000112.1F227Y225-F227 PolarHBondContact O-N 3.13Å; Y225-F227 VanDerWaalsContact O-N 3.07Å
226F25.2Very low30Very low190 Ų190141.5 Ų141.583%0.83376%0.756SS**  trans-64105.8169.8-77.2-87000111.4S224 K228S224-F226 PolarHBondContact O-N 3Å; S224-F226 VanDerWaalsContact O-N 3.09Å; F226-K228 PolarHBondContact O-N 3.22Å
227F29.3Very low30Very low200 Ų200144.8 Ų144.888%0.87776%0.757SS**  trans-65.8126.1154.1-96.1-85.8000108.9Y225 S229Y225-F227 PolarHBondContact O-N 3.13Å; Y225-F227 VanDerWaalsContact O-N 3.07Å; F227-S229 PolarHBondContact O-N 3.35Å
228K26.3Very low30Very low184 Ų184145.1 Ų145.180%0.875%0.753SS**  trans-62.496.6-171.7-177179.6178.1177.60112.1F226 C230F226-K228 PolarHBondContact O-N 3.22Å; K228-C230 PolarHBondContact O-N 2.89Å
229S26.6Very low30.4Very low106 Ų106142.3 Ų142.374%0.74174%0.741SS**  trans-72.890.617443.10000111.2F227 S231F227-S229 PolarHBondContact O-N 3.35Å; S229-S231 PolarHBondContact O-N 3.23Å
230C26.9Very low30.2Very low95 Ų95145 Ų14564%0.64275%0.746SS**  trans-68.9126.9174.1-87.40000112K228K228-C230 PolarHBondContact O-N 2.89Å
231S27.7Very low30.2Very low90 Ų90145.9 Ų145.963%0.62975%0.749SS**  trans54.360.4162.157.60000117.8S229 D233S229-S231 PolarHBondContact O-N 3.23Å; S231-D233 PolarHBondContact O-N 3.21Å
232K36.6Very low29.9Very low200 Ų200144.5 Ų144.587%0.8775%0.751SS**  trans-82.267.1154.7-171.3-163.6173.9-176.70110.2
233D32.2Very low30.2Very low156 Ų156146.1 Ų146.183%0.83475%0.751SS**SBendtrans-161.444.3176-102.4-29.5000114.1S231S231-D233 PolarHBondContact O-N 3.21Å
234T33.4Very low29.9Very low101 Ų101148.3 Ų148.362%0.6275%0.751SS**SBendtrans-160-14.9169.2-12.60000117.2
235F34.3Very low29.8Very low150 Ų150153 Ų15366%0.65876%0.76SS**  trans-112.335.8-157.7-65.1-75.3000116.8
236S29.3Very low29.7Very low99 Ų99147.9 Ų147.969%0.69275%0.753SS**SBendtrans-87.1-2.6169.157.40000114.5
237K30Very low29.6Very low181 Ų181144 Ų14479%0.78775%0.75SS**SBendtrans-100.32.9-173.5-75.3-169.7173.4-177.40115.9
238F34.5Very low29.4Very low149 Ų149141.7 Ų141.765%0.65475%0.745SS**SBendtrans-120.9136.4170-62.5-79.8000108.1
239W38.7Very low29.4Very low167 Ų167138.5 Ų138.563%0.63374%0.741SS**  trans69.852.6-175.5-46.2105.3000116.3V172V172-W239 HydrophobicContact CG1-CZ2 4.18Å
240Q25.6Very low29.5Very low162 Ų162138.7 Ų138.776%0.75774%0.742SS**  trans-96127.3150.1-76.4-169.4-44.300110.1S242Q240-S242 PolarHBondContact O-N 2.88Å; Q240-S242 VanDerWaalsContact O-N 3.12Å
241P28.7Very low29.5Very low129 Ų129143.4 Ų143.484%0.83875%0.752SS**  trans-77.491.6168.531.2-31.9000109.5L243P241-L243 PolarHBondContact O-N 3.15Å
242S25.8Very low29.5Very low116 Ų116146.4 Ų146.481%0.81176%0.76SS**  trans-72.689.3-175.261.30000112.6Q240Q240-S242 PolarHBondContact O-N 2.88Å; Q240-S242 VanDerWaalsContact O-N 3.12Å
243L33.6Very low29Very low132 Ų132142.1 Ų142.169%0.69175%0.751SS**  trans-146.336.5177.1-121.7174000114.7P241 F245P241-L243 PolarHBondContact O-N 3.15Å; L243-F245 HydrophobicContact CD2-CD2 4.1Å; L243-F245 HydrophobicContact CD2-CE2 3.41Å; L243-F245 VanDerWaalsContact CD2-CE2 3.41Å; L243-F245 HydrophobicContact CD2-CZ 4.06Å
244E27.5Very low28.8Very low192 Ų192142 Ų14290%0.89775%0.75SS**  trans-93.6122.7164.8-68.3-171.9150.100110.5
245F26.5Very low28.4Very low186 Ų186144.1 Ų144.182%0.81676%0.757SS**  trans-90.2102.9176-74.7-89.4000110.2L243 S247L243-F245 HydrophobicContact CD2-CD2 4.1Å; L243-F245 HydrophobicContact CD2-CE2 3.41Å; L243-F245 VanDerWaalsContact CD2-CE2 3.41Å; L243-F245 HydrophobicContact CD2-CZ 4.06Å; F245-S247 PolarHBondContact O-N 2.89Å
246T24.5Very low28.2Very low120 Ų120145.2 Ų145.274%0.73677%0.77SS**  trans-69.1100.4170.852.20000110.5I248T246-I248 PolarHBondContact O-N 3.23Å
247S24.1Very low28.2Very low110 Ų110146.5 Ų146.577%0.76977%0.769SS**  trans-71.894.4172.3-173.20000110.4F245 V249F245-S247 PolarHBondContact O-N 2.89Å; S247-V249 PolarHBondContact O-N 2.92Å
248I25.3Very low28Very low151 Ų151146.2 Ų146.277%0.77477%0.769SS**  trans-82.797.5175.8-59.7177.4000108.6T246 S250T246-I248 PolarHBondContact O-N 3.23Å; I248-S250 PolarHBondContact O-N 3.14Å
249V26.5Very low27.6Very low116 Ų116145.1 Ų145.170%0.70378%0.779SS**  trans-75.6112.7167.3175.60000108.6S247 K251S247-V249 PolarHBondContact O-N 2.92Å; V249-K251 PolarHBondContact O-N 3.19Å; V249-K251 VanDerWaalsContact O-N 3.12Å
250S27.9Very low26.9Very low111 Ų111142 Ų14278%0.77679%0.789SS**  trans-71100.8172.855.10000110.7I248I248-S250 PolarHBondContact O-N 3.14Å
251K27.5Very low26.8Very low194 Ų194138.8 Ų138.884%0.84379%0.785SS**  trans-82.8115.6159-80-167.5172.5-172.40108.9V249V249-K251 PolarHBondContact O-N 3.19Å; V249-K251 VanDerWaalsContact O-N 3.12Å
252L26.1Very low26.7Very low152 Ų152140.3 Ų140.380%0.79678%0.78SS**  trans-69.4140165.2-176.862.3000108.8
253T27.3Very low26.8Very low111 Ų111143.5 Ų143.568%0.68178%0.783SS**  trans-85.7121.4172.847.10000110.2
254D27.8Very low26.3Very low153 Ų153143.2 Ų143.282%0.81879%0.791SS**  trans-115.1119.1148.7-76.2-48.8000106.8
255N26Very low26.3Very low145 Ų145143.8 Ų143.878%0.77579%0.791SS**  trans-93.2131.9167.1-79.3-0.2000107.7
256D29.1Very low26.1Very low173 Ų173138 Ų13893%0.92578%0.778SS**  trans-150.5139.6140.1-105.9-30.9000107.8
257D29.1Very low26.2Very low126 Ų126142.1 Ų142.167%0.67479%0.786SS**  trans-137.7147-152.2-149.92.6000112.2
258F26.3Very low26.1Very low176 Ų176139.9 Ų139.977%0.77278%0.78SS**  trans42.3114.6174-61.7-77.2000119.9
259S25.1Very low26.2Very low125 Ų125138.8 Ų138.887%0.87478%0.781SS**  171.7153.7100.7-75.70000113.2
260A24.4Very low26.1Very low101 Ų101140.3 Ų140.384%0.83578%0.784SS**  trans-129.4155.5171.400000110.5
261S24.1Very low25.9Very low96 Ų96141.9 Ų141.967%0.67178%0.779SS**  trans-162.5168.8145.2-149.70000113.6
262E26.8Very low26Very low160 Ų160139.1 Ų139.175%0.74877%0.769SS**  trans42.8103.5159.5-72.7136.3-110.800118.4
263Q26.4Very low25.8Very low184 Ų184138 Ų13886%0.8676%0.764SS**  53.5113.767.6-57.4-166.12600115.9
264S23.2Very low25.8Very low125 Ų125142.6 Ų142.687%0.87477%0.769SS**  -172.9170114.1430000112.4
265K27.3Very low25.7Very low204 Ų204142.3 Ų142.389%0.88777%0.767SS**  trans-85.2174.8177.9-48.2165.9-177.3168.20108.7
266A24.2Very low25.6Very low65 Ų65140.2 Ų140.254%0.53776%0.764SS.*  cis-167.916618.500000111.8
267F24.7Very low25.3Very low206 Ų206139.7 Ų139.790%0.90476%0.76SS**  trans60.9151.4162.4-50.2-60.6000116.1
268G23.8Very low24.9Very low64 Ų64138 Ų13866%0.6676%0.758SS**  cis103.7129.624.600000109
269T26.7Very low24.9Very low127 Ų127136.7 Ų136.778%0.77976%0.757SS**  cis-168149.410.9-16.20000111.2
270L23.8Very low24.9Very low148 Ų148135 Ų13578%0.77575%0.751SS**  trans65.9165.4151.1-112.369.2000116.9
271Q24.2Very low25.1Very low144 Ų144138.9 Ų138.967%0.67375%0.752SS**  cis-159.8169.36.4-154.6-173.93000111.7
272Q28.5Very low25.3Very low137 Ų137137.8 Ų137.864%0.6475%0.748SS**  trans84.3104.1149.1-61.6-143.342.400123.9
273N23.7Very low25.3Very low127 Ų127137.4 Ų137.468%0.67976%0.757SS**  84.8138.2114.7-91.2-45.2000125
274R26.3Very low25.3Very low208 Ų208132.1 Ų132.179%0.78575%0.752SS**  trans70.4111.4144.7-76.3178.1169.4172.6-4.1121.6
275N24.9Very low25.4Very low147 Ų147131.8 Ų131.879%0.78675%0.75SS**  37.6123.8124.1-47.410.1000117.6
276S23.8Very low25.6Very low101 Ų101126.8 Ų126.871%0.70674%0.741SS**  163.8177.471.452.40000112.3
277I22.8Very low25.7Very low163 Ų163128.4 Ų128.484%0.83675%0.748SS**  trans78163.7162.9-60.9170.7000116
278S21.8Very low26Very low90 Ų90123.6 Ų123.663%0.62974%0.739SS**  trans-166.2170.7-149.456.10000112.3
279I26.5Very low26.2Very low149 Ų149129.3 Ų129.376%0.76475%0.748SS**  trans77.2121.4162.2-56.9159.8000117.8
280A25Very low26.3Very low90 Ų90130.6 Ų130.674%0.74475%0.75SS**  trans173126.2134.500000106.9
281E27.4Very low27.1Very low181 Ų181129 Ų12985%0.84675%0.748SS**  69146.852.9-71.1-157.4107.200115.8
282A29.2Very low27.4Very low73 Ų73129.4 Ų129.460%0.60375%0.753SS**  cis-178.5142.6-2900000109.7
283T26.8Very low27.4Very low152 Ų152129.3 Ų129.393%0.93375%0.753SS**  trans-175.5136.2149.74.70000111.1
284G25.8Very low27.7Very low73 Ų73130.6 Ų130.675%0.75376%0.755SS**  cis126.393.5-1700000115.6
285S26.3Very low28.1Very low118 Ų118124.8 Ų124.883%0.82575%0.746SS**  trans175.6145.7168.6-172.40000108.8
286S30.3Very low28.1Very low100 Ų100128 Ų12870%0.69975%0.748SS**  cis-173.2154-14.655.30000108.2
287S28Very low28.3Very low99 Ų99127.5 Ų127.569%0.69274%0.744SS**  cis-176.2140.5-19.152.10000110.8
288C30.1Very low28.4Very low104 Ų104127.4 Ų127.470%0.70374%0.744SS**  trans63.7121151.5-56.20000121.6
289H28.4Very low28.7Very low185 Ų185129.3 Ų129.386%0.85675%0.751SS**  -176.7114.886.5-93.1-70.7000112.7
290D28Very low28.7Very low154 Ų154128 Ų12882%0.82476%0.756SS**  trans-92173.6164.8-62.9-62.7000111.1
291P41.9Very low28.6Very low113 Ų113133.3 Ų133.373%0.73476%0.758SS**  -148.4147.594.636.6-19.6000117.5
292I29.1Very low28.6Very low153 Ų153132.6 Ų132.679%0.78576%0.756SS**  trans67.1128.3147-65.2163.8000117.4
293Q30.5Very low28.5Very low136 Ų136135.6 Ų135.664%0.63676%0.763SS**  cis-168.7-174-29.3-126.7-166.545.200105.9
294H28Very low28.7Very low153 Ų153137 Ų13771%0.70876%0.756SS**  cis-125.3-171.79.4-56.6-79.6000108.4
295S34.9Very low29Very low87 Ų87143.5 Ų143.561%0.60876%0.763SS**  cis71.6149.517.4-29.80000114.5
296W26.6Very low29.1Very low215 Ų215143.7 Ų143.781%0.81477%0.765SS**  cis-129.9133.51.7-76.566.6000108.7
297S26.2Very low29.1Very low90 Ų90145.5 Ų145.563%0.62977%0.772SS**  72.4146.992.3106.30000114.9
298L26.2Very low29.1Very low161 Ų161145 Ų14584%0.84377%0.774SS**  cis-158.3179.310-133.9168.2000110.7
299V26.6Very low29.1Very low129 Ų129147 Ų14778%0.78277%0.773SS**  trans-99.2144.9176.11700000110.8
300S27.3Very low29.2Very low122 Ų122146.2 Ų146.285%0.85377%0.767SS**  trans-156160145.270.60000112.8
301Y23.8Very low29.2Very low201 Ų201147 Ų14779%0.78877%0.77SS**  trans-135.8129.9176.7167-77.4000105.8
302M27.5Very low28.6Very low166 Ų166144.5 Ų144.582%0.81877%0.765SS**  trans-173.6154150.2-104-40.3156.600115.6
303D25.6Very low28.6Very low137 Ų137146 Ų14673%0.73377%0.766SS**  trans82165.7149.7-125.1-16.7000123.2
304K32.1Very low28.6Very low180 Ų180147.2 Ų147.278%0.78377%0.771SS**  trans-121.5158.7-155.5-60.4159.8-177.7163.10112
305K30.8Very low29Very low211 Ų211148.1 Ų148.192%0.91778%0.781SS**  trans31.5105.4148.4-67.8-172.7175-171.50117.8
306S28.7Very low28.5Very low122 Ų122147.2 Ų147.285%0.85379%0.785SS**  trans-148.5159.413562.50000110.9
307T30.1Very low29Very low138 Ų138144.3 Ų144.385%0.84779%0.785SS**  trans-124.1156.4178.343.60000109.9
308A28.4Very low29.4Very low89 Ų89149 Ų14974%0.73680%0.796SS**  trans86.2120.1162.400000119.5
309E29.9Very low29.5Very low145 Ų145145.9 Ų145.968%0.67879%0.794SS**  trans65.6122.4132.5-61.9-157.5108.400124.7
310K31.6Very low29.9Very low168 Ų168148.9 Ų148.973%0.7380%0.796SS**  56.2118.5128.3-63.2171.7176.2155.80121
311L28.1Very low29.9Very low171 Ų171150.6 Ų150.690%0.89579%0.791SS**  -168.1163.5112.3-119.773.1000107.8
312G29Very low30.2Very low61 Ų61148.1 Ų148.163%0.62979%0.791SS**  cis122.3114.3-4.600000113.4
313K29.4Very low30.1Very low185 Ų185145.8 Ų145.880%0.80479%0.791SS**  trans-155.3139.8171.4-87.7-177.4165.3-83.70107.8
314E30.1Very low30.2Very low161 Ų161143.3 Ų143.375%0.75279%0.789SS**  cis-152.4160.3-12.3-147.6159.7135.800107.8
315L35.9Very low29.8Very low172 Ų172140.6 Ų140.690%0.90179%0.787SS**  trans-107.4152.9-170.2-90.9166.3000113.8
316G25.1Very low29.7Very low68 Ų68138.8 Ų138.870%0.70178%0.782SS**  trans-157.7143.8169.100000111.6
317L37.7Very low29.7Very low154 Ų154137.5 Ų137.581%0.80677%0.773SS**  trans-145.4145.6-168.9-83.2173.4000113.6
318Q32.6Very low30.2Very low187 Ų187135.6 Ų135.687%0.87477%0.765SS**  trans64.5153.3163.1-63.1178.5-1.100116.2
319A29Very low30.6Very low96 Ų96138.9 Ų138.979%0.79377%0.765SS**  cis-143.2-168.420.500000114.1
320K34.9Very low30.8Very low192 Ų192139 Ų13984%0.83577%0.765SS**  trans-90.4-179.8173.1-62.9-177.7177.31800109.8
321E28.2Very low30.7Very low159 Ų159137.9 Ų137.974%0.74376%0.763SS**  cis-170.4147.834.4-171.5158.1-146.100115.1
322L29.4Very low30.7Very low149 Ų149136.8 Ų136.878%0.7876%0.756SS**  trans52.7155.5157.5-74.1170.1000124
323S26.2Very low30.5Very low116 Ų116136.9 Ų136.981%0.81176%0.757SS**  trans82.7146.9167.8800000118.5
324A26.7Very low30.5Very low86 Ų86134.5 Ų134.571%0.71176%0.758SS**  cis-165.7120.9-24.300000113
325V25.1Very low30.3Very low122 Ų122133.3 Ų133.374%0.73976%0.757SS**  trans65.7154.8155.8-160.50000118.4
326H28.6Very low29.8Very low173 Ų173131.5 Ų131.580%0.80175%0.748SS**  trans75.4137.8172-61.4-68000117.7
327S28.5Very low30.1Very low96 Ų96132.6 Ų132.667%0.67175%0.745SS**  cis-162.8-177.8-15.159.90000110.8
328S41Very low29.9Very low97 Ų97132 Ų13268%0.67874%0.743SS**  trans69.6110.2-177.574.40000113.9
329H36.4Very low29.9Very low158 Ų158129.2 Ų129.273%0.73173%0.733SS**  7982.190.2-64.1-48000111.5
330H33.8Very low30.2Very low147 Ų147133.4 Ų133.468%0.68173%0.733SS**  83.3130.377.2-80.1-132.3000109.7
331E28.4Very low29.9Very low146 Ų146128.7 Ų128.768%0.68273%0.725SS**  cis-142.8151.64-105.2156.1-165.600108.5
332I28.2Very low29.9Very low147 Ų147128.1 Ų128.175%0.75473%0.726SS**  44.9121.983.8-45.3-179.5000110.5
333G26.5Very low29.9Very low63 Ų63128 Ų12865%0.64972%0.722SS**  cis105.7155.828.700000109.8
334V28.6Very low29.9Very low136 Ų136129 Ų12982%0.82472%0.715SS**  trans71.3163.1170.2-173.20000115.4
335N25.5Very low29.8Very low135 Ų135134.8 Ų134.872%0.72272%0.718SS**  trans-38.4151.3162.7-61.811.1000112.3
336D26.3Very low30.1Very low135 Ų135137.5 Ų137.572%0.72272%0.723SS**  cis-156.7163.639.4-128.5-49.2000114.2
337S31.2Very low30.3Very low90 Ų90134.8 Ų134.863%0.62972%0.721SS**  trans57.2114.9150.3-68.60000122.5
338N32.6Very low30.2Very low143 Ų143137.1 Ų137.177%0.76573%0.725SS**  90.9133.4124.9-77.8-34.8000124.5
339L33.1Very low29.4Very low128 Ų128140.2 Ų140.267%0.6773%0.729SS**  trans75.5100.5150.7-88.476.6000121.3
340F34.3Very low28.9Very low183 Ų183137.4 Ų137.480%0.80373%0.727SS**  trans60.4128145.3-55.3-57.1000118.8
341S29.4Very low28.5Very low94 Ų94134.9 Ų134.966%0.65773%0.726SS**  cis-162.3-178.512.1-116.10000110.1
342L28.7Very low28.4Very low146 Ų146134.8 Ų134.876%0.76473%0.73SS**  cis-140.1-116.219.3-164.961.6000112.8
343E28.8Very low28.4Very low147 Ų147134.7 Ų134.769%0.68774%0.736SS**  trans-153.6159.6-155.5-65.4-168.7127.900110.6
344M26.5Very low28.5Very low138 Ų138140.8 Ų140.868%0.6875%0.745SS**  cis-171.6161.1-21.7-95.5-140.2-140.600106.8
345R23.5Very low28.5Very low206 Ų206139.9 Ų139.978%0.77775%0.745SS**  cis-176.3133.8-21.3172.5171.6-173.5179.64.4109
346E31.8Very low28.6Very low179 Ų179141.9 Ų141.984%0.83675%0.748SS**  trans-89.7154.2161.9-113.2177.3-167.900109.5
347P32.8Very low28.7Very low117 Ų117143.4 Ų143.476%0.7675%0.75SS**  -156.2-16474.943.9-22.7000116
348L26Very low28.4Very low145 Ų145144.7 Ų144.776%0.75976%0.759SS**  trans-91.9165177-167.368.4000113.3
349E25.8Very low28.1Very low161 Ų161142 Ų14275%0.75276%0.757SS**  trans79.3104.7147.6-108.1166.4-150.600123.7
350S25.8Very low27.9Very low99 Ų99141.7 Ų141.769%0.69276%0.76SS**  74.8134127.779.80000124.4
351S25.1Very low27.6Very low94 Ų94140.9 Ų140.966%0.65776%0.759SS**  trans84.5116.9143.6790000122.3
352N25.3Very low27.7Very low145 Ų145141.6 Ų141.678%0.77575%0.754SS**  trans50111.9132.3-52-22.5000121.4
353T28.7Very low27.7Very low144 Ų144142.6 Ų142.688%0.88375%0.752SS**  177.6171.6101.732.90000114.9
354K29.2Very low27.6Very low191 Ų191142.3 Ų142.383%0.8376%0.755SS**  trans-73.4152.3-167.4-50.6158.3-178.1172.40114.9
355S27.9Very low27.6Very low118 Ų118146.9 Ų146.983%0.82577%0.765SS**  162.9-167111.660.50000114
356F27.9Very low28Very low177 Ų177141.7 Ų141.778%0.77676%0.76SS**  trans-115.6151.2-140-71.2-89000118.2
357H27.6Very low27.7Very low166 Ų166142.5 Ų142.577%0.76976%0.764SS**  trans64.2144.2140.1-75.3-53.9000124.7
358S25.9Very low27.5Very low118 Ų118145.3 Ų145.383%0.82577%0.767SS**  trans78.9154.3149.976.90000119.1
359A26.7Very low27.4Very low86 Ų86147.3 Ų147.371%0.71177%0.772SS**  cis-171.9177.9-2900000109.7
360V28.7Very low28.2Very low122 Ų122144.1 Ų144.174%0.73977%0.765SS**  trans73.4106.9165-171.40000114.2
361E27.9Very low29.3Very low165 Ų165144.4 Ų144.477%0.77177%0.765SS**  69.9130.877.3-148.7-167-94.700112
362I31Very low29.3Very low109 Ų109146 Ų14656%0.55978%0.775SS**  178.2132.395.3-99.9175.2000113.3
363K28.2Very low29.5Very low167 Ų167149 Ų14973%0.72678%0.781SS**  trans57160.2145.2-66.4175.9-159.7159.80121.5
364N26.8Very low29.6Very low141 Ų141151.1 Ų151.175%0.75478%0.781SS**  cis-171.1163-33.2-107.51.6000109.6
365R26.5Very low29.5Very low235 Ų235149.5 Ų149.589%0.88778%0.776SS**  trans128.7145.9147.4-73.6175.2-171.4-99.96.4113.2
366S31.6Very low29.6Very low97 Ų97152.9 Ų152.968%0.67878%0.779SS**  cis174.1131.9-4444.50000109.6
367Q26.8Very low29.7Very low196 Ų196147.9 Ų147.992%0.91678%0.776SS**  trans-160.9144.4134.8-114.4175.99.500111.1
368H27.4Very low29.9Very low176 Ų176148.1 Ų148.182%0.81578%0.782SS**  trans-114.9168169-89.7-83000107.7
369E24.4Very low30.1Very low186 Ų186149.3 Ų149.387%0.86978%0.779SS**  -162.1157.6121.2-89.5-111.297.400110.4
370P43.3Very low30.5Very low94 Ų94152.1 Ų152.161%0.6179%0.787SS**  trans-137.9-120.6-145.938.5-14.9000113.9
371P48.8Very low31.2Very low106 Ų106151.6 Ų151.669%0.68879%0.787SS**  -111.8175.7-76.835.2-21000113.7
372C24.2Very low31.3Very low127 Ų127149.7 Ų149.786%0.85879%0.786SS**  -172.1155.3124-111.70000113.2
373F30.1Very low31.3Very low208 Ų208149.4 Ų149.491%0.91279%0.794SS**  trans-138.4140.7171.5-88.9-86.6000108.8
374Q30.2Very low31.4Very low189 Ų189149.7 Ų149.788%0.88380%0.803SS**  trans-166.9177.2142.6-112.8179.44.700113.8
375H26.5Very low31.5Very low157 Ų157150.7 Ų150.773%0.72780%0.803SS**  trans-93.2167.7-149.1-61-88.9000118.4
376H30.6Very low31.6Very low189 Ų189147 Ų14788%0.87579%0.793SS**  trans68.8121.4147.2-71.8-59.7000121.4
377G29.9Very low31.3Very low71 Ų71152.8 Ų152.873%0.73280%0.8SS**  trans132126.3139.400000117.7
378I31.4Very low31.2Very low171 Ų171148.4 Ų148.488%0.87779%0.791SS**  trans75.6150.1162.1-53.2176000116.2
379D31.6Very low30.9Very low144 Ų144146.5 Ų146.577%0.7779%0.792SS**  trans-93152.7-156.2-46.3-97.5000117
380T34.4Very low30.8Very low144 Ų144142.9 Ų142.988%0.88379%0.786SS**  trans-170.2151.713512.50000111.7
381P42.4Very low29.7Very low112 Ų112144.3 Ų144.373%0.72780%0.797SS**  trans-100.5143.9-158.836.6-35.9000118.7
382T31.5Very low29.5Very low124 Ų124144.7 Ų144.776%0.76180%0.8SS**  36.1120.3128.4-38.40000119.6
383S29.8Very low30Very low103 Ų103144.1 Ų144.172%0.7279%0.794SS**  cis97.3129.818.195.50000118
384L30.2Very low29.5Very low174 Ų174140.1 Ų140.191%0.91179%0.792SS**  trans-171.5170.2145.9-105.7168.6000111.5
385Q29.8Very low29.3Very low162 Ų162138.9 Ų138.976%0.75779%0.79SS**  trans-147.1169-154-75.6-164.440.300113.5
386K28.5Very low29.2Very low157 Ų157137.3 Ų137.368%0.68379%0.792SS**  cis177.5130.3-23.4177-178.5179.6-176.20111.9
387R26Very low28.8Very low218 Ų218137.3 Ų137.382%0.82378%0.784SS**  trans68.1134.6155.6-84.9-172.4172.4170.9-2.7124.6
388S23.6Very low28.6Very low105 Ų105142 Ų14273%0.73479%0.791SS**  trans61.1155.1142.457.90000119.9
389T21.2Very low28.2Very low135 Ų135139.1 Ų139.183%0.82877%0.774SS**  cis-144.9-157.625.6-38.20000112.3
390C21.9Very low27.8Very low111 Ų111138.3 Ų138.375%0.7577%0.774SS**  trans-113.9166.7-163.5-50.50000115.2
391C21.8Very low27.2Very low123 Ų123138 Ų13883%0.83177%0.773SS**  trans83.4151.3157.2-63.70000120.2
392P44.5Very low26.4Very low115 Ų115136.9 Ų136.975%0.74777%0.772SS**  trans-96.9171.1-174.344.4-39.9000112.1
393P33.2Very low26Very low115 Ų115136.4 Ų136.475%0.74777%0.774SS**  -159.6-17173.544.3-22.2000118.2
394S20.9Very low25.8Very low123 Ų123139.4 Ų139.486%0.8678%0.782SS**  trans84.4162.7144.2-67.60000122.9
395L25.1Very low25.6Very low163 Ų163136.4 Ų136.485%0.85378%0.776SS**  trans-103.1155.2-164.8-169.389.5000112.2
396V24.6Very low25.7Very low125 Ų125137.7 Ų137.776%0.75878%0.782SS**  trans161.5103.7130.3161.40000112.3
397R23.1Very low25.6Very low188 Ų188137.5 Ų137.571%0.70979%0.788SS**  46.6116129.6-161.4177.7-167.8163.56.3122E399R397-E399 WeakPolarHBondContact CG-OE2 3.33Å; R397-E399 IonicContact CZ-OE1 3.2Å; R397-E399 VanDerWaalsContact NE-CD 3.32Å; R397-E399 IonicContact NE-OE1 2.9Å; R397-E399 PolarHBondContact NE-OE1 3.11Å; R397-E399 IonicContact NE-OE2 2.98Å; R397-E399 PolarHBondContact NE-OE2 3.07Å; R397-E399 IonicContact NH2-OE1 2.7Å; R397-E399 PolarHBondContact NH2-OE1 3.22Å
398L24.3Very low25.7Very low170 Ų170130 Ų13089%0.8978%0.778SS**  trans-175144.8133.9-133.462.7000111.8
399E23.3Very low25.8Very low111 Ų111132.3 Ų132.352%0.51978%0.782SS.*  cis-149.6-52.1-49.7-163.571.1173.500112.8R397R397-E399 WeakPolarHBondContact CG-OE2 3.33Å; R397-E399 IonicContact CZ-OE1 3.2Å; R397-E399 VanDerWaalsContact NE-CD 3.32Å; R397-E399 IonicContact NE-OE1 2.9Å; R397-E399 PolarHBondContact NE-OE1 3.11Å; R397-E399 IonicContact NE-OE2 2.98Å; R397-E399 PolarHBondContact NE-OE2 3.07Å; R397-E399 IonicContact NH2-OE1 2.7Å; R397-E399 PolarHBondContact NH2-OE1 3.22Å
400V23.9Very low26.8Very low126 Ų126131.5 Ų131.576%0.76478%0.779SS**  trans-137.5124.5-162.5175.70000116.1
401T22.6Very low27.4Very low139 Ų139134.2 Ų134.285%0.85378%0.781SS**  -173138.1115.8-66.90000108.8
402A23.8Very low27.7Very low87 Ų87135.3 Ų135.372%0.71978%0.777SS**  trans-98.4148.9-163.300000115.7
403S24.4Very low27.7Very low115 Ų115138 Ų13880%0.80477%0.772SS**  trans-153.6134146.853.50000109.2
404N24.9Very low27.6Very low165 Ų165140.2 Ų140.288%0.88278%0.778SS**  trans-87130.9-168.2-63.3-4.9000111.9
405S27.2Very low28Very low112 Ų112142.1 Ų142.178%0.78378%0.779SS**  trans-129.4133.2163.3580000109D407S405-D407 PolarHBondContact O-N 3.46Å
406Q31.8Very low28.4Very low189 Ų189140.2 Ų140.288%0.88377%0.769SS**  trans-60.1125.4179.1-71.7179.6-46.600110.7
407D25.1Very low28.8Very low153 Ų153139 Ų13982%0.81876%0.763SS**  trans-81.2148.4163.9-154.6-9.2000109.3S405S405-D407 PolarHBondContact O-N 3.46Å
408G28.4Very low29.3Very low59 Ų59137.8 Ų137.861%0.60876%0.763SS**  trans-161.495.1-171.600000110.6P410G408-P410 WeakPolarHBondContact O-CD 3.44Å
409D26.5Very low29.9Very low154 Ų154132.3 Ų132.382%0.82474%0.74SS**  trans-44.1113.6-165.6-90.3-55.5000114.7Q411D409-Q411 PolarHBondContact O-N 3.05Å
410P40.6Very low30.8Very low118 Ų118134.1 Ų134.177%0.76675%0.748SS**  trans-98.342.4-179.638.8-34.9000112.5G408G408-P410 WeakPolarHBondContact O-CD 3.44Å
411Q35.2Very low31.7Very low168 Ų168131.2 Ų131.279%0.78573%0.733SS**  trans-135.8160-177-135.1151.79.800114.8D409D409-Q411 PolarHBondContact O-N 3.05Å
412I28.8Very low33Very low146 Ų146125.8 Ų125.875%0.74970%0.699SS**SBendtrans5878.9-169.2-47.4177000114
413W45.1Very low34.3Very low171 Ų171122.6 Ų122.665%0.64867%0.67SS**  trans-159.233.6156.4-79.4120.1000115.7
414D29Very low35.6Very low163 Ų163124.7 Ų124.787%0.87266%0.664SS**  trans-95.6-23.1-179.9-84.3-47.4000115.7L416D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 PolarHBondContact O-N 3.37Å
415D29.8Very low36.9Very low162 Ų162119.5 Ų119.587%0.86663%0.634SS**  trans-80.964.8-175.2-73.7-54.8000115
416L34.7Very low38.5Very low124 Ų124114.3 Ų114.365%0.64960%0.598SS**  trans-131.489.2162.5-80.3179.6000111.8D414D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 PolarHBondContact O-N 3.37Å
417P32.9Very low39.8Very low98 Ų98106.8 Ų106.864%0.63657%0.568SS**THydrogen-bonded Turntrans-62.7154.6171.227.6-34.5000111.5
418F32.2Very low41.6Very low163 Ų163103.3 Ų103.372%0.71555%0.552SS**THydrogen-bonded Turntrans72.827.2176.7-43.5-65.2000117.7E420F418-E420 PolarHBondContact O-N 2.87Å
419S36.9Very low43.2Very low56 Ų56101.2 Ų101.239%0.39253%0.527SS..THydrogen-bonded Turntrans-66.36.2165.671.20000115.2K43 N423K43-S419 PolarHBondContact NZ-O 3.41Å; K43-S419 PolarHBondContact NZ-OG 3.02Å; S419-N423 PolarHBondContact O-ND2 3.27Å
420E42.7Very low44.8Very low149 Ų14996 Ų9670%0.69650%0.497SS*.THydrogen-bonded Turntrans-98.9-55.9-177.2-169-174.7159.700112.3F418 L422 K424F418-E420 PolarHBondContact O-N 2.87Å; E420-L422 PolarHBondContact O-N 3.27Å; E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 PolarHBondContact O-N 3.39Å
421S43.2Very low45.6Very low65 Ų6593.1 Ų93.146%0.45548%0.48SS..Hα-helixtrans-65.8-38.8179.256.30000112.1F425S421-F425 WeakPolarHBondContact O-CB 3.32Å; S421-F425 PolarHBondContact O-N 3.47Å
422L49Very low46.4Very low25 Ų2589.9 Ų89.913%0.13147%0.465CS..Hα-helixtrans-63.1-52.6178.3179.467.9000112.3F75 V161 E420 K424 F425 L426F75-L422 HydrophobicContact CD2-CD2 4.26Å; F75-L422 HydrophobicContact CE2-CD2 4.22Å; V161-L422 HydrophobicContact CG1-CD1 3.63Å; V161-L422 HydrophobicContact CG1-CD2 3.72Å; V161-L422 HydrophobicContact CG1-CG 4.33Å; E420-L422 PolarHBondContact O-N 3.27Å; L422-K424 VanDerWaalsContact C-N 3.35Å; L422-K424 PolarHBondContact O-N 2.83Å; L422-F425 WeakPolarHBondContact O-CB 3.24Å; L422-F425 PolarHBondContact O-N 3.36Å; L422-F425 VanDerWaalsContact O-N 3.16Å; L422-L426 HydrophobicContact CD1-CD1 4.27Å; L422-L426 HydrophobicContact CD1-CG 4.32Å; L422-L426 HydrophobicContact CG-CD1 4.07Å; L422-L426 HydrophobicContact CG-CG 4.47Å; L422-L426 WeakPolarHBondContact O-CG 3.42Å; L422-L426 PolarHBondContact O-N 2.88Å
423N52.6Low47.9Very low20 Ų2087.3 Ų87.311%0.10745%0.452CS..Hα-helixtrans-67.5-36-176.9-74.2-49000112S419 F425 L426 A427S419-N423 PolarHBondContact O-ND2 3.27Å; N423-F425 VanDerWaalsContact C-N 3.34Å; N423-L426 PolarHBondContact O-N 3.07Å; N423-A427 WeakPolarHBondContact O-CB 3.45Å; N423-A427 PolarHBondContact O-N 3.08Å
424K50.2Low48.1Very low158 Ų15882 Ų8269%0.68745%0.445SS*.Hα-helixtrans-65.1-37.2172.2-171.4170.3-176.2171.60112.1E420 L422 V428E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 PolarHBondContact O-N 3.39Å; L422-K424 VanDerWaalsContact C-N 3.35Å; L422-K424 PolarHBondContact O-N 2.83Å; K424-V428 WeakPolarHBondContact O-CG2 3.49Å; K424-V428 PolarHBondContact O-N 3.32Å; K424-V428 VanDerWaalsContact O-N 3.14Å
425F53.9Low49.1Very low56 Ų5679.3 Ų79.325%0.24643%0.429CS..Hα-helixtrans-70.5-41.8175.7170.2-91.6000112.6T131 C163 S421 L422 N423 V428 L429T131-F425 HydrophobicContact CG2-CD1 4.48Å; T131-F425 HydrophobicContact CG2-CE1 3.61Å; T131-F425 HydrophobicContact CG2-CZ 3.83Å; C163-F425 HydrophobicContact CB-CE1 3.81Å; S421-F425 WeakPolarHBondContact O-CB 3.32Å; S421-F425 PolarHBondContact O-N 3.47Å; L422-F425 WeakPolarHBondContact O-CB 3.24Å; L422-F425 PolarHBondContact O-N 3.36Å; L422-F425 VanDerWaalsContact O-N 3.16Å; N423-F425 VanDerWaalsContact C-N 3.34Å; F425-V428 PolarHBondContact O-N 3.13Å; F425-L429 HydrophobicContact CD1-CD1 4.25Å; F425-L429 HydrophobicContact CE1-CD1 3.5Å; F425-L429 HydrophobicContact CE1-CG 4.44Å; F425-L429 HydrophobicContact CZ-CD1 3.75Å; F425-L429 HydrophobicContact CZ-CG 4.43Å; F425-L429 WeakPolarHBondContact O-CB 3.38Å; F425-L429 PolarHBondContact O-N 3.01Å
426L60.3Low49.8Very low4 Ų475.5 Ų75.52%0.02141%0.411CS..Hα-helixtrans-62.6-43173.7-70.2173.2000111.3F75 C163 L422 N423 V428 L429 E430F75-L426 HydrophobicContact CB-CD1 3.98Å; C163-L426 HydrophobicContact CB-CD2 3.55Å; L422-L426 HydrophobicContact CD1-CD1 4.27Å; L422-L426 HydrophobicContact CD1-CG 4.32Å; L422-L426 HydrophobicContact CG-CD1 4.07Å; L422-L426 HydrophobicContact CG-CG 4.47Å; L422-L426 WeakPolarHBondContact O-CG 3.42Å; L422-L426 PolarHBondContact O-N 2.88Å; N423-L426 PolarHBondContact O-N 3.07Å; L426-V428 PolarHBondContact O-N 2.9Å; L426-L429 WeakPolarHBondContact O-CB 3.31Å; L426-L429 PolarHBondContact O-N 2.77Å; L426-E430 WeakPolarHBondContact O-CB 3.44Å; L426-E430 WeakPolarHBondContact O-CG 3.44Å; L426-E430 PolarHBondContact O-N 2.96Å
427A59.6Low50.2Low30 Ų3076.7 Ų76.725%0.24841%0.414CS..Hα-helixtrans-58.1-45.8174.900000112.4F29 N423 S431F29-A427 HydrophobicContact CD2-CB 3.76Å; F29-A427 HydrophobicContact CE2-CB 3.76Å; N423-A427 WeakPolarHBondContact O-CB 3.45Å; N423-A427 PolarHBondContact O-N 3.08Å; A427-S431 PolarHBondContact O-N 3.22Å; A427-S431 PolarHBondContact O-OG 3.14Å
428V61.9Low50.6Low81 Ų8174.6 Ų74.649%0.49141%0.405SS..Hα-helixtrans-61.8-46.8175.8168.60000110.4K424 F425 L426 E430 S431 E432K424-V428 WeakPolarHBondContact O-CG2 3.49Å; K424-V428 PolarHBondContact O-N 3.32Å; K424-V428 VanDerWaalsContact O-N 3.14Å; F425-V428 PolarHBondContact O-N 3.13Å; L426-V428 PolarHBondContact O-N 2.9Å; V428-E430 PolarHBondContact O-N 3.42Å; V428-S431 PolarHBondContact O-N 3.12Å; V428-S431 PolarHBondContact O-OG 3.37Å; V428-E432 VanDerWaalsContact O-CB 3.28Å; V428-E432 WeakPolarHBondContact O-CB 3.33Å; V428-E432 PolarHBondContact O-N 2.96Å
429L61.8Low50.9Low15 Ų1572 Ų728%0.07940%0.399CS..Hα-helixtrans-58.2-47.9177.5-110.6176.9000113C163 F425 L426 S431 E432 I433C163-L429 HydrophobicContact CB-CD1 3.98Å; F425-L429 HydrophobicContact CD1-CD1 4.25Å; F425-L429 HydrophobicContact CE1-CD1 3.5Å; F425-L429 HydrophobicContact CE1-CG 4.44Å; F425-L429 HydrophobicContact CZ-CD1 3.75Å; F425-L429 HydrophobicContact CZ-CG 4.43Å; F425-L429 WeakPolarHBondContact O-CB 3.38Å; F425-L429 PolarHBondContact O-N 3.01Å; L426-L429 WeakPolarHBondContact O-CB 3.31Å; L426-L429 PolarHBondContact O-N 2.77Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.36Å; L429-E432 PolarHBondContact O-N 2.61Å; L429-I433 HydrophobicContact CD2-CD1 4.22Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 2.84Å
430E61.2Low51.3Low43 Ų4374.8 Ų74.820%0.20141%0.413CS..Hα-helixtrans-64.4-34.9179.9-72.1164.2-167.900111R56 L426 V428 A434R56-E430 IonicContact CZ-OE1 2.68Å; R56-E430 IonicContact CZ-OE2 3.46Å; R56-E430 IonicContact NH1-OE1 3.44Å; R56-E430 PolarHBondContact NH1-OE1 3.42Å; R56-E430 IonicContact NH1-OE2 2.69Å; R56-E430 PolarHBondContact NH1-OE2 3.29Å; R56-E430 IonicContact NH2-OE1 3.32Å; R56-E430 PolarHBondContact NH2-OE1 3.05Å; R56-E430 IonicContact NH2-OE2 2.73Å; R56-E430 PolarHBondContact NH2-OE2 3.46Å; L426-E430 WeakPolarHBondContact O-CB 3.44Å; L426-E430 WeakPolarHBondContact O-CG 3.44Å; L426-E430 PolarHBondContact O-N 2.96Å; V428-E430 PolarHBondContact O-N 3.42Å; E430-A434 WeakPolarHBondContact O-CB 3.27Å; E430-A434 PolarHBondContact O-N 2.9Å
431S57.4Low51.2Low59 Ų5972.1 Ų72.141%0.41341%0.411SS..Hα-helixtrans-72.8-37.3171.769.50000114.1A427 V428 L429 A434 I435A427-S431 PolarHBondContact O-N 3.22Å; A427-S431 PolarHBondContact O-OG 3.14Å; V428-S431 PolarHBondContact O-N 3.12Å; V428-S431 PolarHBondContact O-OG 3.37Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.36Å; S431-A434 PolarHBondContact O-N 3.01Å; S431-I435 WeakPolarHBondContact O-CD1 3.27Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 2.92Å
432E52.1Low51Low99 Ų9973 Ų7346%0.46342%0.417SS..Hα-helixtrans-65.8-39.4179.2-176.8175.7-138.300111.1R5 V428 L429 T436R5-E432 IonicContact NH2-OE2 3.64Å; V428-E432 VanDerWaalsContact O-CB 3.28Å; V428-E432 WeakPolarHBondContact O-CB 3.33Å; V428-E432 PolarHBondContact O-N 2.96Å; L429-E432 PolarHBondContact O-N 2.61Å; E432-T436 WeakPolarHBondContact O-CG2 3.25Å; E432-T436 PolarHBondContact O-N 3.05Å; E432-T436 VanDerWaalsContact O-N 3.12Å; E432-T436 PolarHBondContact O-OG1 3.46Å
433I58.7Low50.5Low93 Ų9382.4 Ų82.448%0.47745%0.451SS..Hα-helixtrans-66.6-44.7173-66.5164.6000110.9L429 I435 T436 Q437L429-I433 HydrophobicContact CD2-CD1 4.22Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 2.84Å; I433-I435 PolarHBondContact O-N 2.84Å; I433-T436 PolarHBondContact O-N 3.5Å; I433-T436 PolarHBondContact O-OG1 2.93Å; I433-T436 VanDerWaalsContact O-OG1 3.12Å; I433-Q437 WeakPolarHBondContact O-CB 3.39Å; I433-Q437 PolarHBondContact O-N 3.22Å
434A49.3Very low49.6Very low60 Ų6089.5 Ų89.550%0.49648%0.481SS..Hα-helixtrans-63-40.7178.900000113E430 S431 A438E430-A434 WeakPolarHBondContact O-CB 3.27Å; E430-A434 PolarHBondContact O-N 2.9Å; S431-A434 PolarHBondContact O-N 3.01Å; A434-A438 PolarHBondContact O-N 3.25Å
435I50.9Low48.7Very low106 Ų10690.6 Ų90.654%0.54449%0.488SS..Hα-helixtrans-65.6-48.8177.1-68.1161.9000110.9S431 I433 Q437 A438 D439S431-I435 WeakPolarHBondContact O-CD1 3.27Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 2.92Å; I433-I435 PolarHBondContact O-N 2.84Å; I435-Q437 VanDerWaalsContact C-N 3.3Å; I435-Q437 PolarHBondContact O-N 2.96Å; I435-A438 WeakPolarHBondContact O-CB 3.47Å; I435-A438 PolarHBondContact O-N 2.93Å; I435-A438 VanDerWaalsContact O-N 3.11Å; I435-D439 PolarHBondContact O-N 2.95Å
436T45.2Very low47.5Very low81 Ų8195.5 Ų95.550%0.49751%0.511SS..Hα-helixtrans-65.3-32.6-17946.80000112.9E432 I433 A438 V440E432-T436 WeakPolarHBondContact O-CG2 3.25Å; E432-T436 PolarHBondContact O-N 3.05Å; E432-T436 VanDerWaalsContact O-N 3.12Å; E432-T436 PolarHBondContact O-OG1 3.46Å; I433-T436 PolarHBondContact O-N 3.5Å; I433-T436 PolarHBondContact O-OG1 2.93Å; I433-T436 VanDerWaalsContact O-OG1 3.12Å; T436-A438 VanDerWaalsContact C-N 3.34Å; T436-V440 WeakPolarHBondContact O-CG2 3.37Å; T436-V440 PolarHBondContact O-N 3.41Å
437Q42.4Very low46.2Very low149 Ų149101.5 Ų101.570%0.69655%0.548SS*.Hα-helixtrans-70.9-28.5174.4-163.9168.3700112.8I433 I435I433-Q437 WeakPolarHBondContact O-CB 3.39Å; I433-Q437 PolarHBondContact O-N 3.22Å; I435-Q437 VanDerWaalsContact C-N 3.3Å; I435-Q437 PolarHBondContact O-N 2.96Å
438A40.7Very low44.7Very low55 Ų55106.4 Ų106.446%0.45557%0.57SS.*Hα-helixtrans-74.8-46172.900000112.5A434 I435 T436 V440 S441 S442A434-A438 PolarHBondContact O-N 3.25Å; I435-A438 WeakPolarHBondContact O-CB 3.47Å; I435-A438 PolarHBondContact O-N 2.93Å; I435-A438 VanDerWaalsContact O-N 3.11Å; T436-A438 VanDerWaalsContact C-N 3.34Å; A438-V440 VanDerWaalsContact C-N 3.28Å; A438-V440 PolarHBondContact O-N 2.8Å; A438-S441 WeakPolarHBondContact O-CA 3.24Å; A438-S441 WeakPolarHBondContact O-CB 3.26Å; A438-S441 PolarHBondContact O-N 3.38Å; A438-S441 PolarHBondContact O-OG 2.94Å; A438-S442 PolarHBondContact O-N 2.87Å
439D38.9Very low43.2Very low108 Ų108109 Ų10958%0.57858%0.581SS**Hα-helixtrans-66.5-26-177.6-103.5-20.8000113.9I435 S441 S442I435-D439 PolarHBondContact O-N 2.95Å; D439-S441 PolarHBondContact O-N 3.39Å; D439-S442 PolarHBondContact O-OG 3.47Å
440V46Very low41.6Very low114 Ų114116.3 Ų116.369%0.69162%0.62SS**Hα-helixtrans-71.8-20171.7173.10000112T436 A438T436-V440 WeakPolarHBondContact O-CG2 3.37Å; T436-V440 PolarHBondContact O-N 3.41Å; A438-V440 VanDerWaalsContact C-N 3.28Å; A438-V440 PolarHBondContact O-N 2.8Å
441S40.5Very low40.3Very low94 Ų94121.4 Ų121.466%0.65765%0.647SS**Hα-helixtrans-85-29.2175.378.30000113.6A438 D439A438-S441 WeakPolarHBondContact O-CA 3.24Å; A438-S441 WeakPolarHBondContact O-CB 3.26Å; A438-S441 PolarHBondContact O-N 3.38Å; A438-S441 PolarHBondContact O-OG 2.94Å; D439-S441 PolarHBondContact O-N 3.39Å
442S38.7Very low39Very low83 Ų83125.1 Ų125.158%0.5866%0.662SS**Hα-helixtrans-79.6-22.1-177.564.60000113.7A438 D439A438-S442 PolarHBondContact O-N 2.87Å; D439-S442 PolarHBondContact O-OG 3.47Å
443R37.8Very low38Very low223 Ų223125.2 Ų125.284%0.84267%0.67SS**  trans-103.874.4-176.3-166.1177.6-69.9-159.4-1.8113.5
444K34.1Very low36.6Very low169 Ų169129 Ų12974%0.73568%0.683SS**  trans-135.5146.2160.3-75.2-171.6175.51780111.3
445H31.3Very low35.5Very low180 Ų180134.7 Ų134.783%0.83370%0.699SS**  trans69.283.2176-49.9-75.7000117
446H29.4Very low34.5Very low159 Ų159133.5 Ų133.574%0.73671%0.705SS**  -155.9122.5102.9-147.1-80.2000109.3D448H446-D448 IonicContact CE1-OD2 3.82Å
447V32.2Very low33.6Very low131 Ų131136.2 Ų136.279%0.79472%0.717SS**  trans-137107.6161.51760000104.1
448D28Very low32.9Very low133 Ų133136.6 Ų136.671%0.71172%0.718SS**  trans-83.8142.9167.9-128-31.6000107.9H446H446-D448 IonicContact CE1-OD2 3.82Å
449N30.7Very low32.2Very low136 Ų136139 Ų13973%0.72773%0.732SS**  trans-107.1111175.1-79.2-25.2000108.4
450D28.8Very low31.6Very low168 Ų168144.1 Ų144.190%0.89874%0.743SS**  trans-145.9154.5143.5-111-32.3000110.5
451I33.3Very low30.6Very low149 Ų149145.4 Ų145.476%0.76475%0.745SS**  trans-120.7132.1-165.5-65.5166000107.7
452D30.2Very low29.9Very low137 Ų137145.6 Ų145.673%0.73375%0.746SS**  -174159.8115.9-125.8-37.3000117.9
453T30.9Very low29.3Very low101 Ų101148.1 Ų148.162%0.6276%0.758SS**  trans77.8134147.551.10000124.6
454F28.5Very low29.3Very low173 Ų173142.8 Ų142.876%0.75975%0.75SS**  trans63.891.6151.5-61.2-58000122.9
455H26.8Very low29Very low179 Ų179140.4 Ų140.483%0.82975%0.752SS**  53.2149.4107.4-81.2-89.1000123.3
456A29.5Very low28.8Very low82 Ų82138.2 Ų138.268%0.67874%0.742SS**  trans92.395.5151.600000119.6
457D27.8Very low28.8Very low137 Ų137140.2 Ų140.273%0.73374%0.743SS**  82141.5119-85.4-49.5000125.3
458H27Very low28.6Very low158 Ų158139.7 Ų139.773%0.73174%0.741SS**  trans69.787.5142.2-70.525.4000120.9
459S26Very low28.5Very low105 Ų105139.8 Ų139.873%0.73475%0.746SS**  89.7150.4114.786.70000121.9
460R25.8Very low28.2Very low216 Ų216136.8 Ų136.882%0.81575%0.747SS**  trans52.6116.6148.4-74.9-174.1174.5-140.2-1.5120.9
461L25.9Very low28.1Very low140 Ų140133 Ų13373%0.73374%0.739SS**  49.2103.6122-64.4167.8000118.4
462S26.1Very low27.9Very low98 Ų98133 Ų13369%0.68574%0.74SS**  28.7124.2125.762.60000119.6
463V24.6Very low27.7Very low137 Ų137134.5 Ų134.583%0.8374%0.742SS**  -166.4151.2107.7138.30000110.3
464T37.5Very low27.6Very low111 Ų111135.9 Ų135.968%0.68175%0.751SS**  trans-91145.3175.145.10000112.8
465P29.3Very low28.2Very low118 Ų118133 Ų13377%0.76675%0.749SS**  trans-82.9138.2139.4-10.128.9000108.3
466Q27.4Very low28.4Very low134 Ų134130.3 Ų130.363%0.62675%0.748SS**  cis57.6129.426.1-66.6-157.124.400114.1
467R28.5Very low28.3Very low202 Ų202134.6 Ų134.676%0.76276%0.758SS**  cis-124.9-139.9-5.6-98.2161175.8135.3-1107.7
468T27.4Very low28.2Very low120 Ų120132.7 Ų132.774%0.73676%0.761SS**  cis-158.6115.93.9-36.40000105.3
469T26.1Very low28.1Very low134 Ų134133 Ų13382%0.82277%0.767SS**  56.512078.9-44.20000113.8
470G24.1Very low28Very low73 Ų73138.8 Ų138.875%0.75377%0.773SS**  trans151.344161.900000122.3
471A27.2Very low28Very low89 Ų89133.2 Ų133.274%0.73677%0.767SS**  trans39.3127.8147.500000123.8
472L28.3Very low28Very low148 Ų148131.9 Ų131.978%0.77577%0.769SS**  trans60.9127.7139.5-58.5166.6000118.7
473H27.5Very low28.2Very low170 Ų170135.6 Ų135.679%0.78778%0.776SS**  cis-149.5161.938.8-86-90.5000114.1
474T28.4Very low28.2Very low129 Ų129133.4 Ų133.479%0.79177%0.772SS**  trans-77.7171.6164.7300000112.4
475P40.5Very low27.6Very low113 Ų113134.9 Ų134.973%0.73477%0.774SS**  cis-125-169.813.543.3-26.5000114
476P31.8Very low27.4Very low123 Ų123134.9 Ų134.980%0.79977%0.772SS**  -144.7169.988.239.8-24.1000116
477I27.4Very low27.4Very low172 Ų172138 Ų13888%0.88278%0.783SS**  trans-104.1127.4162.9-64.1165.4000107.7
478A24.3Very low27.2Very low97 Ų97132 Ų13280%0.80278%0.777SS**  trans-165.1150155.400000112.5
479L25.8Very low27.2Very low164 Ų164133.7 Ų133.786%0.85978%0.782SS**  trans-89.4163.6-178-74.6150.4000113.3
480R23.5Very low27.2Very low227 Ų227133.2 Ų133.286%0.85778%0.782SS**  trans73.2107.9145-91.3-176.3173168.5-2.1121.3
481S25.8Very low27.3Very low99 Ų99135 Ų13569%0.69278%0.783SS**  48114.5118.665.10000122.1
482S26Very low27.4Very low111 Ų111138.4 Ų138.478%0.77678%0.782SS**  -169.8128.6129.2-77.20000107.1
483Q30.1Very low27.3Very low177 Ų177137.4 Ų137.483%0.82778%0.777SS**  79.7118.256.7-163.7-179.35000113.4
484A24.2Very low27.3Very low90 Ų90135.2 Ų135.274%0.74477%0.771SS**  trans-130.4116.3161.600000106.4
485I25.7Very low27.2Very low143 Ų143136.7 Ų136.773%0.73377%0.767SS**  72.1118.466.3-61.2166.6000108.9
486V24.8Very low26.5Very low118 Ų118137.6 Ų137.672%0.71577%0.765SS**  -152.6125.481.51620000113.3
487K27.7Very low26.1Very low198 Ų198141 Ų14186%0.86177%0.767SS**  trans52.3158.7147-60.4177.6-178.6177.60119.8
488A25.6Very low26Very low78 Ų78138.9 Ų138.965%0.64576%0.758SS**  cis-151.4159.91600000115.3
489N25.9Very low25.9Very low155 Ų155139.9 Ų139.983%0.82976%0.757SS**  trans65.579.1143.1-58.7-1000122.3
490C25.7Very low25.8Very low123 Ų123140.7 Ų140.783%0.83175%0.754SS**  11130.1126.6-172.50000121.1
491S26.7Very low25.9Very low111 Ų111135 Ų13578%0.77674%0.744SS**  trans-155.4118.3132.665.60000113.2
492K29.1Very low25.9Very low161 Ų161137 Ų13770%0.775%0.747SS**  trans25.6118.8142.1-67-178.6149.1-72.20119.8
493D26.9Very low25.9Very low127 Ų127139.5 Ų139.568%0.67975%0.751SS**  100.6150.479.3-66.5-13000109.3
494D27.3Very low26Very low123 Ų123136.1 Ų136.166%0.65875%0.747SS**  cis-163.2170.6-43-155.7-11.9000109
495F25.6Very low26.7Very low161 Ų161138 Ų13871%0.70675%0.752SS**  trans68.9113.7163.9-58-64000123.1
496L26Very low26.8Very low132 Ų132136.5 Ų136.569%0.69175%0.754SS**  42.6131.6120.6-58.3174.2000121.6
497F24.3Very low27Very low194 Ų194136.4 Ų136.485%0.85175%0.753SS**  -160.3174.393.3-126.6-97.1000114.9
498N24.2Very low27.1Very low128 Ų128134 Ų13468%0.68475%0.745SS**  trans-97.9175.6-171.2-90.7-66.6000114.6
499C24Very low27.2Very low117 Ų117137.9 Ų137.979%0.79175%0.747SS**  trans87.8152.5155.2-72.30000119.3
500K23.8Very low27.2Very low181 Ų181138 Ų13879%0.78774%0.743SS**  cis-176.9166.8-22.8-167.7-174.5178.9-178.80108.7
501V23.9Very low27.3Very low108 Ų108137.8 Ų137.866%0.65574%0.743SS**  trans81.4112.8158.9-159.60000118.4
502N27.3Very low27.5Very low140 Ų140141.2 Ų141.275%0.74975%0.746SS**  trans-11147.2143-36.8-18.2000118.4
503L24.5Very low28.3Very low164 Ų164138.1 Ų138.186%0.85974%0.743SS**  173.6149.8106.8-94161.6000111.3
504S32.9Very low28.3Very low106 Ų106137.3 Ų137.374%0.74174%0.739SS**  trans-99.2157.516451.40000110.7
505P39.6Very low28.3Very low131 Ų131137.3 Ų137.385%0.85174%0.739SS**  trans-131.6-177.213337-26.8000112.5
506S27.1Very low28.4Very low110 Ų110136.6 Ų136.677%0.76974%0.735SS**  trans-124.1-177.3-165.946.30000112.5
507V29.3Very low28.4Very low116 Ų116136.9 Ų136.970%0.70374%0.742SS**  trans139111.31381700000115.7
508E28.4Very low28.5Very low149 Ų149135.7 Ų135.770%0.69674%0.739SS**  trans86.5151.4138.8-92.6175-136.200127.9
509K28.2Very low28.6Very low159 Ų159133 Ų13369%0.69174%0.735SS**  trans75.2150.4155.2-75.7-178.5176.378.20120.7
510E27.3Very low28.7Very low158 Ų158133.8 Ų133.874%0.73874%0.736SS**  cis169.8127-31.5164.8169.4-137.100107.6
511S27.6Very low28.8Very low118 Ų118130.1 Ų130.183%0.82573%0.733SS**  trans155.8138.8145.650.40000114.7
512Q30.4Very low29Very low182 Ų182130.7 Ų130.785%0.8574%0.737SS**  trans-117.1177.8145.7-123.4-164.89.700105.8
513P45.6Very low28.9Very low97 Ų97130.2 Ų130.263%0.6373%0.734SS**  cis-149.4-163.838.741.1-18000115.8
514D27Very low29.1Very low110 Ų110130.1 Ų130.159%0.58873%0.729SS**  trans65.9160.5150.1-84.113000118.7K516D514-K516 IonicContact OD1-NZ 3.07Å; D514-K516 PolarHBondContact OD1-NZ 3.26Å; D514-K516 IonicContact OD2-NZ 2.67Å; D514-K516 PolarHBondContact OD2-NZ 3.18Å; D514-K516 VanDerWaalsContact OD2-NZ 3.07Å
515N27.2Very low28.8Very low123 Ų123130.1 Ų130.166%0.65873%0.729SS**  cis-152.4166.6-3.1-105.6-38.8000108.1
516K27Very low28.4Very low146 Ų146127.5 Ų127.564%0.63573%0.725SS**  cis-174.1161-43.9-103.4-172.3-160.280.40106.5D514D514-K516 IonicContact OD1-NZ 3.07Å; D514-K516 PolarHBondContact OD1-NZ 3.26Å; D514-K516 IonicContact OD2-NZ 2.67Å; D514-K516 PolarHBondContact OD2-NZ 3.18Å; D514-K516 VanDerWaalsContact OD2-NZ 3.07Å
517V26.6Very low28.5Very low137 Ų137133.9 Ų133.983%0.8373%0.733SS**  trans68.7156166.3160.90000117.3
518E27.2Very low28.4Very low169 Ų169131.4 Ų131.479%0.7973%0.731SS**  cis-170165.5-41-152.3-179.9156.100109.9
519A26Very low28.4Very low73 Ų73132.5 Ų132.560%0.60374%0.738SS**  trans57115.4147.300000124
520V25.8Very low28.3Very low133 Ų133129.3 Ų129.381%0.80674%0.736SS**  82.6141.1117.5168.50000122.3
521S25.9Very low28.4Very low103 Ų103129.6 Ų129.672%0.7274%0.737SS**  trans106.611414562.60000123.7
522V27.8Very low28.4Very low121 Ų121132.5 Ų132.573%0.73373%0.731SS**  71.5110.6121.1-178.90000121.4
523N25.3Very low28.2Very low130 Ų130133 Ų13370%0.69573%0.731SS**  33.1159.8127.7-45-2.7000124.1
524H28.5Very low27.4Very low161 Ų161136.4 Ų136.475%0.74574%0.743SS**  trans72.4105.4153.6-67.4-55.9000116.8
525S28Very low27.7Very low106 Ų106136.4 Ų136.474%0.74175%0.749SS**  76.4115.263780000114.1
526G29.5Very low27.9Very low76 Ų76138.4 Ų138.478%0.78476%0.76SS**  trans-163.187.7-177.300000114.9
527R29.9Very low28.4Very low244 Ų244136.3 Ų136.392%0.92176%0.761SS**  trans-23.8134.9138.5173.9-157.9-56.4-98.93.8111.8
528G27.1Very low28.4Very low65 Ų65134.9 Ų134.967%0.6776%0.756SS**  cis136.5179.510.100000110.5
529M27.6Very low28.4Very low171 Ų171134.3 Ų134.384%0.84276%0.758SS**  trans97.5133.6169.5-58.2-57.5-56.700120.5
530S27.3Very low28.3Very low93 Ų93137.2 Ų137.265%0.6577%0.773SS**  trans69.6145.9153.3-114.10000118.3
531E28.9Very low28.4Very low164 Ų164135 Ų13577%0.76677%0.769SS**  cis-146.9154.830.2-80.7-158.4136.800117.4
532Y28.8Very low28.5Very low179 Ų179136.5 Ų136.570%0.70277%0.768SS**  trans31.9103.4153.2-62.4-77.9000126.1
533F25.9Very low28.3Very low191 Ų191138.8 Ų138.884%0.83877%0.769SS**  26.2132.8129.1-64.8-84.9000124.4
534L28.5Very low28.4Very low169 Ų169137.8 Ų137.889%0.88577%0.772SS**  trans-162.6167.9132.7-98.4159.8000107.9
535P33.3Very low28.2Very low110 Ų110135.2 Ų135.271%0.71477%0.772SS**  trans-124.3121.8-13136.3-19.9000117.2
536N31.2Very low28.1Very low165 Ų165134.8 Ų134.888%0.88277%0.769SS**  trans-169.292.9144.9-132.8-8.2000114.2
537P36.9Very low28.1Very low102 Ų102139.2 Ų139.266%0.66277%0.767SS**  trans-138.9179.5154.539.7-23.2000111.2
538C26.1Very low27.9Very low108 Ų108133.3 Ų133.373%0.7375%0.753SS**  cis-137.7148.622.5-740000109.6
539L28.3Very low27.9Very low157 Ų157135.1 Ų135.182%0.82276%0.756SS**  63.7117.358.7-62.8172.6000113.8
540S23.9Very low27.7Very low133 Ų133135.2 Ų135.293%0.9375%0.754SS**  trans-110.192.9175.4-60.10000111.3
541A27.8Very low27.7Very low86 Ų86136 Ų13671%0.71176%0.755SS**  trans-151.1141.9167.200000105.2
542L27.4Very low27.5Very low135 Ų135135 Ų13571%0.70775%0.753SS**  cis-162.4-173.78.6-119165.2000108.1
543F24.3Very low27.3Very low170 Ų170132 Ų13275%0.74675%0.754SS**  trans66.2110.3158.2-58.4-56.1000121.6
544S26.3Very low27.3Very low108 Ų108127.9 Ų127.976%0.75574%0.744SS**  10.8128.6127.156.60000121.1
545S25.1Very low27.2Very low108 Ų108126.4 Ų126.476%0.75574%0.737SS**  trans-164.6155.5135.2-173.90000112.4
546S26.9Very low27Very low96 Ų96130 Ų13067%0.67174%0.741SS**  trans42.6111.1147.155.90000121.6
547K27.7Very low26.9Very low170 Ų170130 Ų13074%0.73973%0.733SS**  54.9138.1108.1-99.8176.8143.8-73.20122
548D26.6Very low26.6Very low119 Ų119130.2 Ų130.264%0.63673%0.732SS**  trans80.1140.5145.4-53-24.9000120.4
549S26.4Very low26.7Very low104 Ų104132.6 Ų132.673%0.72774%0.737SS**  trans60.5103.7153.6530000122.7
550E25Very low26.7Very low173 Ų173133.9 Ų133.981%0.80873%0.73SS**  71.8122.4106.6-122.1173179.600123
551T25.8Very low27Very low110 Ų110135.7 Ų135.768%0.67573%0.728SS**  trans72.5148.4139.638.80000124.4
552I25.6Very low27.1Very low141 Ų141134.8 Ų134.872%0.72372%0.716SS**  trans76.1117.8147.3-75.1160.4000116.8
553V23.7Very low28.5Very low118 Ų118133.4 Ų133.472%0.71572%0.715SS**  75.2125.354.9167.40000111.7
554T25.8Very low29.6Very low104 Ų104130 Ų13064%0.63871%0.71SS**  cis-168.6169.2-3.3280000110.1
555L28Very low29.9Very low138 Ų138134.8 Ų134.872%0.72371%0.712SS**  trans67.6171.7150.3-94.849.2000115.2
556K28.5Very low30.1Very low185 Ų185134.7 Ų134.780%0.80470%0.703SS**  cis-157.8167.810.8-116.8149.2177.71610105.4
557K28.6Very low30.4Very low166 Ų166138.1 Ų138.172%0.72271%0.708SS**  cis-172.5116.51.4174.6-120.6170.4-155.50112
558T30.7Very low30.6Very low105 Ų105136.5 Ų136.564%0.64471%0.706SS**  trans65.2162.3157.956.80000118.3
559I29.3Very low30.5Very low159 Ų159138.6 Ų138.682%0.81572%0.717SS**  cis-131.9-157.526.9-21.1-177.4000114.6
560R27.9Very low30.5Very low184 Ų184142.8 Ų142.869%0.69472%0.722SS**  trans-164.5139.4-149.5168.7-173.3170.3-76.67.4113.2S562R560-S562 VanDerWaalsContact CZ-CB 3.43Å; R560-S562 PolarHBondContact NH1-OG 3.06Å
561I30.6Very low30.5Very low171 Ų171145.8 Ų145.888%0.87773%0.726SS**  trans-123.3164.5156-60.7-178.7000107.7
562S28.6Very low31.2Very low66 Ų66146.3 Ų146.346%0.46273%0.731SS.*  trans-166.7-179.2-150.760.40000113.1R560R560-S562 VanDerWaalsContact CZ-CB 3.43Å; R560-S562 PolarHBondContact NH1-OG 3.06Å
563P57.3Low31.1Very low106 Ų106144.5 Ų144.569%0.68873%0.731SS**  cis-127.6-143.2-3737.2-15.5000108.8
564P47.7Very low31.2Very low99 Ų99145.1 Ų145.164%0.64374%0.735SS**  cis-136145.9-15.131.5-9.3000119
565R33.1Very low31.3Very low209 Ų209144.6 Ų144.679%0.78974%0.736SS**  trans66.5144.1133.2-63.6-171.6171.9-720.1121.5
566D29.2Very low31.1Very low105 Ų105147.2 Ų147.256%0.56174%0.744SS**  cis-153.1165.3-15.5-82.4-34.4000105.9
567E32.8Very low31.1Very low168 Ų168143 Ų14379%0.78574%0.738SS**  cis77.2137.935.6-116.8-177-95.900113
568I30.9Very low30.9Very low136 Ų136140.6 Ų140.670%0.69773%0.733SS**  cis-148.7164.629.1-76.4174000113.4
569L25.6Very low30.7Very low164 Ų164143 Ų14386%0.85974%0.737SS**  trans-123143.6171.3-163.9162.8000110.4
570F26Very low30.5Very low192 Ų192144.7 Ų144.784%0.84274%0.739SS**  trans-101.1149.7-173.5-105.1-79.8000116.4
571R26Very low30.6Very low236 Ų236140.5 Ų140.589%0.89174%0.737SS**  trans-142.4145.4163.6-164.6178-167.2-139.73.7109.4
572P39Very low30.4Very low120 Ų120139.3 Ų139.378%0.77973%0.732SS**  trans-107.3158.2-169.639.1-35000115.6
573S24.7Very low30.2Very low103 Ų103142.2 Ų142.272%0.7274%0.742SS**  trans-170132.8158.653.20000111.7
574T25.9Very low28.6Very low131 Ų131143.7 Ų143.780%0.80474%0.744SS**  trans53.3149150.553.40000120.6
575S26.3Very low27.8Very low94 Ų94146.9 Ų146.966%0.65775%0.748SS**  cis-172.1-179.8-18.248.50000108.5
576E25Very low27.5Very low192 Ų192146.8 Ų146.890%0.89775%0.75SS**  trans71.6159.9166.3-59.9-175.3136.200118.4
577S27.2Very low27.5Very low96 Ų96148.4 Ų148.467%0.67176%0.757SS**  trans-97.1162.617952.80000109.5
578D26.2Very low27.2Very low116 Ų116147.9 Ų147.962%0.6276%0.76SS**  -176.6171.461.6-119.3-53.6000114
579H25.5Very low27Very low155 Ų155144.8 Ų144.872%0.71876%0.761SS**  trans52.5115.1154-59.4-5.8000121
580F24.5Very low26.9Very low196 Ų196144 Ų14486%0.8677%0.768SS**  8140122.1-62.8-86000117.8
581S29.8Very low26.9Very low95 Ų95138.7 Ų138.766%0.66477%0.767SS**  cis178.8168.86.550.20000110
582L26.8Very low26.9Very low146 Ų146134.6 Ų134.676%0.76476%0.758SS**  -172.5140.4121.5-127.975000114.8
583N24.4Very low26.4Very low127 Ų127137 Ų13768%0.67976%0.757SS**  trans36.5123145.1-79.6-30.3000121.5
584N25.1Very low26.4Very low137 Ų137137.3 Ų137.373%0.73376%0.758SS**  -156.2145.185.4-118.2-73.3000117.1
585K30Very low26.6Very low166 Ų166138.6 Ų138.672%0.72276%0.759SS**  trans74.596.9158.8-58-171.8179178.10121.8
586Y27.1Very low26.6Very low208 Ų208139.1 Ų139.182%0.81676%0.763SS**  43.7148.5123.7-62.7-84.2000121.9
587L28.2Very low26.7Very low138 Ų138135.5 Ų135.572%0.72375%0.754SS**  cis-179.6164.4-36.9-119.9168.4000108.4
588N26.6Very low26.5Very low158 Ų158138.4 Ų138.485%0.84576%0.759SS**  trans65.6138.9-178.7-62.4-5.2000116
589G26.3Very low26.6Very low70 Ų70138.5 Ų138.572%0.72276%0.759SS**  cis163.2150.4-10.800000114.3
590C24.8Very low26.6Very low148 Ų148137.4 Ų137.4100%176%0.755SS**  trans58.4140.4171.3-89.50000119.4
591G25.2Very low26.8Very low80 Ų80135.4 Ų135.483%0.82575%0.746SS**  trans16682.1174.600000112.9
592E27Very low26.6Very low151 Ų151137.5 Ų137.571%0.70675%0.749SS**  trans-81.3156.3167.3-67.1-164.99500111.8
593K27.7Very low26.6Very low171 Ų171135.6 Ų135.674%0.74374%0.743SS**  trans44.2162.6136.6-63.7165-175.9155.10121.8
594S25.8Very low26.8Very low108 Ų108135.7 Ų135.776%0.75575%0.748SS**  trans839415769.50000120.3
595L30.3Very low26.8Very low158 Ų158135.9 Ų135.983%0.82775%0.749SS**  34.1101.2102.1-157.5167.8000117.4V597L595-V597 HydrophobicContact CD2-CG2 3.96Å
596S26.3Very low26.6Very low105 Ų105133.3 Ų133.373%0.73475%0.75SS**  trans-152141.6146.550.70000106.7
597V25.4Very low26.6Very low117 Ų117128.5 Ų128.571%0.70975%0.747SS**  cis67.784.133.6-170.60000112.9L595L595-V597 HydrophobicContact CD2-CG2 3.96Å
598M24.6Very low26.6Very low157 Ų157132.7 Ų132.777%0.77375%0.753SS**  -167.3157.3123.4-117.4166.463.900114
599N26.6Very low26.7Very low118 Ų118134 Ų13463%0.63175%0.752SS**  trans71.9148.6156.2-62.2-10000120.4
600E26Very low26.7Very low132 Ų132141 Ų14162%0.61776%0.758SS**  cis165.4155.5-35.5-112.8-151.3117.400107.4
601K28Very low26.8Very low154 Ų154140.1 Ų140.167%0.6774%0.743SS**  trans66.3149.7157.8-70.1172.4170.772.50115.5
602L27.2Very low26.9Very low139 Ų139143.1 Ų143.173%0.72874%0.74SS**  cis-145.2153.9-2.3-115.6158.9000111.3
603T25.6Very low27Very low106 Ų106141.5 Ų141.565%0.6574%0.741SS**  trans-21.4154.116554.10000120
604T28.5Very low27.1Very low128 Ų128138.3 Ų138.379%0.78574%0.739SS**  -156.9125.1109.715.10000113.8
605L26.4Very low27.3Very low141 Ų141139.6 Ų139.674%0.73874%0.738SS**  trans28.3116.5140.7-77.797.7000120
606C25.9Very low27.2Very low113 Ų113139.1 Ų139.176%0.76474%0.736SS**  90.6151.579.8-76.40000114
607S27.1Very low27.3Very low107 Ų107140.4 Ų140.475%0.74874%0.743SS**  cis-169.9179.6-16.156.90000111
608R27Very low27.5Very low225 Ų225144.3 Ų144.385%0.84975%0.75SS**  trans111.3103.9151.5-155.2170.5-1611594.5116.2
609K28.4Very low27.7Very low187 Ų187145 Ų14581%0.81376%0.756SS**  trans-72.9154.8159.9-57.4177.9178.9-1780110
610Y26.3Very low27.8Very low216 Ų216147.6 Ų147.685%0.84777%0.765SS**  -153.8149.3127.5-109.9-79000109
611N27.6Very low27.9Very low130 Ų130149.1 Ų149.170%0.69578%0.777SS**  trans-94.4154.7167.5-59.3-15.8000108.3
612D26.9Very low27.9Very low142 Ų142151.8 Ų151.876%0.75979%0.789SS**  177.8135.7104.7-90.9-16.2000114.7
613V28.8Very low27.9Very low118 Ų118153.1 Ų153.172%0.71579%0.791SS**  trans53.9108.3130.9-1730000121
614S30.5Very low27.8Very low103 Ų103157 Ų15772%0.7280%0.795SS**  trans88.2152.5136.8-70.70000124.7
615D29.5Very low27.7Very low135 Ų135159.7 Ų159.772%0.72279%0.792SS**  trans79.5106152.6-64.4-26.5000123
616L28.9Very low27.7Very low149 Ų149163.6 Ų163.678%0.7880%0.797SS**  46.6103.8122.2-63.5165.7000118.5
617C28.9Very low27.6Very low131 Ų131170 Ų17089%0.88581%0.805SS**  -171.4167.197.9-97.30000114.4
618K29Very low27.6Very low199 Ų199168.7 Ų168.787%0.86580%0.797SS**  trans-85.8142173.4-48.7163.9-173.7171.30109.6
619L29Very low27.7Very low171 Ų171167.3 Ų167.390%0.89580%0.797SS**  trans-158.3157.6131.4-141.966.7000112.1
620E28.2Very low27.8Very low173 Ų173165.9 Ų165.981%0.80880%0.798SS**  trans-72.3150.5176.8-65.3162.595.100112.2
621N27.5Very low28Very low165 Ų165163.8 Ų163.888%0.88280%0.796SS**  trans-151.4114155.6-109.1-47.7000110.4
622K28.5Very low28Very low209 Ų209164.7 Ų164.791%0.90980%0.801SS**  trans-145.584.4169.4-90.2-165.41761790111.2
623Q28.5Very low28.2Very low168 Ų168165.3 Ų165.379%0.78580%0.804SS**  trans-154.2171.9152.2-108.4-17828.400109.6
624Y23.5Very low28.3Very low188 Ų188164.5 Ų164.574%0.73780%0.804SS**  trans90.7102.8174.1-69.2-90000120.5
625Y25.1Very low28.3Very low184 Ų184167.7 Ų167.772%0.72281%0.805SS**  62.4117.8126.7-83.3-115000122.7
626R27.4Very low28.5Very low222 Ų222168.2 Ų168.284%0.83881%0.813SS**  35.2107.9119.5-176.3-167.4-81.7-166.1-4.8118.2
627W23.4Very low28.5Very low247 Ų247167.5 Ų167.594%0.93681%0.809SS**  trans-161154.5155.8-141.3-81.7000108.2
628S27.5Very low28.8Very low81 Ų81166.9 Ų166.957%0.56681%0.805SS**  cis-137.9-179.1-5062.40000108.3
629K28.4Very low28.7Very low196 Ų196168.6 Ų168.685%0.85281%0.806SS**  trans-67.5144154.7-81.2-173.2173-173.60109.4
630N30Very low28.6Very low157 Ų157169.4 Ų169.484%0.8480%0.802SS**  trans-132157.5139.7-85-18.4000106.4
631Q30.6Very low28.6Very low172 Ų172168.1 Ų168.180%0.80480%0.8SS**  trans-87.5145.6174-67.6178.5-98.400110.3
632D28.5Very low28.6Very low149 Ų149166.2 Ų166.280%0.79779%0.794SS**  trans-165.1127.2134.3-96.8-30.6000108.9S634D632-S634 PolarHBondContact O-N 3.19Å
633D31.2Very low28.5Very low155 Ų155165.4 Ų165.483%0.82979%0.787SS**  trans-93.692.2-174.3-79.8-53.2000111.6
634S30.9Very low28.4Very low101 Ų101163.1 Ų163.171%0.70679%0.786SS**  trans-173.883.2153.542.10000113.9D632D632-S634 PolarHBondContact O-N 3.19Å
635F29.6Very low28.6Very low170 Ų170161.5 Ų161.575%0.74679%0.79SS**  trans-135.685.5173.6-77.3-65000114.9I637F635-I637 HydrophobicContact CB-CD1 3.93Å; F635-I637 HydrophobicContact CB-CG1 4.05Å; F635-I637 HydrophobicContact CD1-CD1 3.68Å; F635-I637 HydrophobicContact CD1-CG1 4.01Å; F635-I637 HydrophobicContact CG-CD1 3.97Å; F635-I637 HydrophobicContact CG-CG1 4.41Å; F635-I637 PolarHBondContact O-N 2.9Å; F635-I637 VanDerWaalsContact O-N 3.11Å
636T34.3Very low28.7Very low146 Ų146162.1 Ų162.190%0.89680%0.799SS**  trans-65.696.4149.944.70000109.4
637I29.2Very low28.7Very low134 Ų134157.5 Ų157.569%0.68780%0.796SS**  trans-116.7111.7175.4-70.4176.3000110.4F635F635-I637 HydrophobicContact CB-CD1 3.93Å; F635-I637 HydrophobicContact CB-CG1 4.05Å; F635-I637 HydrophobicContact CD1-CD1 3.68Å; F635-I637 HydrophobicContact CD1-CG1 4.01Å; F635-I637 HydrophobicContact CG-CD1 3.97Å; F635-I637 HydrophobicContact CG-CG1 4.41Å; F635-I637 PolarHBondContact O-N 2.9Å; F635-I637 VanDerWaalsContact O-N 3.11Å
638C33.8Very low28.9Very low118 Ų118153 Ų15380%0.79779%0.789SS**  trans-67.9153168.5-55.50000110.8
639R27.9Very low28.8Very low235 Ų235155.3 Ų155.389%0.88780%0.804SS**  trans-116.276162.9-153.8168.6-165163.55.5112.3L641R639-L641 PolarHBondContact O-N 2.98Å
640K26.5Very low28.5Very low188 Ų188153 Ų15382%0.81780%0.801SS**  trans-60.7119.4167.5-161.3173.3-173.5177.20108.2T642K640-T642 PolarHBondContact O-N 3.45Å
641L28.8Very low28.4Very low146 Ų146150.8 Ų150.876%0.76480%0.798SS**  trans-84.7101.3178.8-75.5172000110R639R639-L641 PolarHBondContact O-N 2.98Å
642T26.1Very low28.6Very low125 Ų125148.7 Ų148.777%0.76780%0.799SS**PPolyproline II helixtrans-83118.5171.4-48.50000109.6K640K640-T642 PolarHBondContact O-N 3.45Å
643Y26.9Very low28.6Very low192 Ų192149.5 Ų149.575%0.75380%0.803SS**PPolyproline II helixtrans-76.4133.8168.8-76.5-97.2000110.2
644P27.9Very low28.3Very low119 Ų119153.4 Ų153.477%0.77381%0.807SS**PPolyproline II helixtrans-71138159.8-1127.7000109.8
645L26.8Very low28.2Very low155 Ų155152.8 Ų152.881%0.81280%0.802SS**PPolyproline II helixtrans-76.5145.8162.1-95.869.3000109.6T647L645-T647 PolarHBondContact O-N 2.61Å
646E27.8Very low28.2Very low197 Ų197150.3 Ų150.392%0.92180%0.801SS**PPolyproline II helixtrans-73.9117.6175.6-64.1178.6139.700110.2
647T26.7Very low27.9Very low125 Ų125150 Ų15077%0.76779%0.794SS**PPolyproline II helixtrans-91.4141.9176.4450000112L645 C649L645-T647 PolarHBondContact O-N 2.61Å; T647-C649 PolarHBondContact O-N 3.44Å
648L27Very low27.9Very low152 Ų152149.5 Ų149.580%0.79680%0.798SS**PPolyproline II helixtrans-49125.7177.8-115.669.7000112.9N650L648-N650 PolarHBondContact O-N 3.13Å
649C25.5Very low27.6Very low130 Ų130150.9 Ų150.988%0.87880%0.796SS**  trans-89.283.3171.7-72.60000111.4T647T647-C649 PolarHBondContact O-N 3.44Å
650N23.1Very low27.7Very low146 Ų146146.9 Ų146.978%0.78179%0.785SS**  trans-76.8128.6164-76.6-23.4000109.9L648L648-N650 PolarHBondContact O-N 3.13Å
651S26.6Very low27.6Very low112 Ų112145.4 Ų145.478%0.78378%0.781SS**  trans-114.7135.6172.255.10000110.8
652P35.3Very low27.4Very low128 Ų128146.7 Ų146.783%0.83179%0.785SS**  trans-86.5156-173.833.4-35.3000114.1
653N28.6Very low28.3Very low165 Ų165145.3 Ų145.388%0.88278%0.778SS**  trans-60.9148.7-174.1-63.6-51.3000116
654R25.7Very low28.3Very low238 Ų238147.8 Ų147.890%0.89879%0.787SS**  trans-152.8118.7138.1-138.2-176.2-179.7168.41.3116.1
655S29Very low28.1Very low87 Ų87145.5 Ų145.561%0.60878%0.784SS**  trans51.197.9147.160.20000122
656T29.7Very low28.2Very low119 Ų119146.6 Ų146.673%0.7379%0.785SS**  41.1121.8117.458.10000121.4
657N28Very low28.2Very low140 Ų140145.3 Ų145.375%0.74978%0.783SS**  179.8144.8105.9-93.2-21.8000113.9
658T29.1Very low28.1Very low123 Ų123145.2 Ų145.276%0.75578%0.777SS**  trans53.9142.5150.552.50000121.1
659L26.5Very low28.4Very low146 Ų146145.1 Ų145.176%0.76478%0.778SS**  cis-169.6162.5-16.2-160.475.5000108.7
660K29.4Very low28.4Very low151 Ų151147.2 Ų147.266%0.65778%0.78SS**  trans80131.9156.7-84.2169.4164.8-87.10122.2
661E26Very low28.8Very low158 Ų158147.4 Ų147.474%0.73878%0.781SS**  trans79.299.9139.3-79.1140.3-14600122.6
662M24.8Very low28.8Very low172 Ų172147.2 Ų147.285%0.84778%0.775SS**  trans-85.8-174.6159.1-71.8166.654.800111.3
663P44.3Very low28.5Very low96 Ų96149.5 Ų149.562%0.62377%0.774SS**  cis-127.6-115.5-48.136.9-20.4000111
664W26.3Very low28.3Very low245 Ų245145.5 Ų145.593%0.92876%0.759SS**  trans72.8145.3-176.7-51.788.5000115.6
665G24.8Very low28.2Very low70 Ų70144.4 Ų144.472%0.72276%0.757SS**  cis178.5154.7-6.200000112.7
666H28.8Very low28.1Very low179 Ų179145.3 Ų145.383%0.82976%0.763SS**  trans-66.9156.7175.5-107.2-89.6000113.1
667I26.6Very low28Very low169 Ų169147 Ų14787%0.86777%0.766SS**  trans-165.7156.5137.9-102.7151.8000110.4
668N26Very low27.9Very low123 Ų123143.9 Ų143.966%0.65877%0.767SS**  trans-101.3161.7-168.1-64.2-21.5000114.6
669N33.4Very low28Very low150 Ų150148.7 Ų148.780%0.80277%0.773SS**  trans14.7135.9146.7-54.4-9000120.3
670N25.6Very low28.1Very low175 Ų175151.4 Ų151.494%0.93678%0.782SS**  trans-156.8172.5138.8-108.3-45000112.8
671L30.1Very low28.2Very low150 Ų150147.9 Ų147.979%0.78579%0.788SS**  trans-125.9146.7-148.1-158.479.8000115.8
672T27.9Very low28.3Very low107 Ų107146 Ų14666%0.65679%0.792SS**  trans76.6143.6148.324.20000124.4
673Q28.3Very low28.8Very low176 Ų176146.3 Ų146.382%0.82279%0.786SS**  trans75.2143.5149.5-70.9172.913.600120.6
674S23.7Very low28.5Very low82 Ų82146.9 Ų146.957%0.57378%0.783SS**  cis-170.5163-19.350.70000113.6
675Y24.4Very low29Very low214 Ų214138.5 Ų138.584%0.83977%0.766SS**  trans70.5149.1167.2-62.4-72000118.8
676S26Very low29.4Very low107 Ų107138.9 Ų138.975%0.74876%0.758SS**  cis-144.51384.646.80000116.1
677I29.1Very low29.9Very low153 Ų153133.5 Ų133.579%0.78574%0.744SS**  trans25.4122.1143.4-53.1174000120.8
678G25.5Very low30.3Very low75 Ų75130.5 Ų130.577%0.77373%0.73SS**  trans-171.1125154.200000111.6
679Y30.4Very low31Very low224 Ų224131.1 Ų131.188%0.87873%0.732SS**  trans-96.5125.4-171.4-85-96.7000113.9
680E28.4Very low31.5Very low204 Ų204130.6 Ų130.695%0.95372%0.723SS**  trans177.7149.7136.6-101.3174.7147.500108.6
681G32.9Very low32Very low76 Ų76128.1 Ų128.178%0.78471%0.71SS**  cis167.428.7-0.900000115.7
682S28.1Very low32.4Very low119 Ų119125.7 Ų125.783%0.83270%0.698SS**  trans-138.4118.1-175.157.80000113.3
683Y35.5Very low33.1Very low179 Ų179126.1 Ų126.170%0.70270%0.695SS**  trans-88.1127.8170.5170.2-109.2000109.7A685 D688Y683-A685 HydrophobicContact CD1-CB 4.14Å; Y683-A685 HydrophobicContact CE1-CB 3.73Å; Y683-D688 PolarHBondContact OH-OD2 2.95Å
684D36Very low33.7Very low108 Ų108120.8 Ų120.858%0.57868%0.681SS**  trans-94.495.8176.5-170.5-18.6000110.2S686 A687D684-S686 PolarHBondContact O-N 3.25Å; D684-S686 VanDerWaalsContact OD1-CB 3.31Å; D684-S686 WeakPolarHBondContact OD1-CB 3.42Å; D684-S686 PolarHBondContact OD1-N 3.06Å; D684-S686 PolarHBondContact OD1-OG 3.02Å; D684-A687 PolarHBondContact O-N 2.84Å
685A36.9Very low34.6Very low69 Ų69122.3 Ų122.357%0.5768%0.677SS**THydrogen-bonded Turntrans-70.88.118000000114.4Y683Y683-A685 HydrophobicContact CD1-CB 4.14Å; Y683-A685 HydrophobicContact CE1-CB 3.73Å
686S35Very low35.4Very low78 Ų78118.9 Ų118.955%0.54567%0.669SS.*THydrogen-bonded Turntrans-94.1-11.3175.573.30000114.4D684D684-S686 PolarHBondContact O-N 3.25Å; D684-S686 VanDerWaalsContact OD1-CB 3.31Å; D684-S686 WeakPolarHBondContact OD1-CB 3.42Å; D684-S686 PolarHBondContact OD1-N 3.06Å; D684-S686 PolarHBondContact OD1-OG 3.02Å
687A37.4Very low36.3Very low65 Ų65120.5 Ų120.554%0.53767%0.666SS.*SBendtrans-77.1-46.3179.500000113.2D684 L689D684-A687 PolarHBondContact O-N 2.84Å; A687-L689 PolarHBondContact O-N 3.41Å; A687-L689 VanDerWaalsContact O-N 3.13Å
688D36.8Very low36.8Very low107 Ų107118.4 Ų118.457%0.57266%0.657SS**THydrogen-bonded Turntrans-74-2.9-169.9-64.3-36.4000114.7Y683Y683-D688 PolarHBondContact OH-OD2 2.95Å
689L40Very low37.9Very low135 Ų135119.5 Ų119.571%0.70764%0.644SS**THydrogen-bonded Turntrans-96.52.3-168.3-156.866.7000115.2A687A687-L689 PolarHBondContact O-N 3.41Å; A687-L689 VanDerWaalsContact O-N 3.13Å
690F43.8Very low38.5Very low139 Ų139111.7 Ų111.761%0.6163%0.625SS**SBendtrans-128.2-5.7-173-71.8-69.3000116.8I693F690-I693 HydrophobicContact CD1-CD1 4.24Å
691D35.3Very low39.3Very low123 Ų123106 Ų10666%0.65861%0.605SS**THydrogen-bonded Turntrans-80-15.1-179.4-85.4-0.6000114.5
692D39.1Very low39.9Very low100 Ų100107.2 Ų107.254%0.53559%0.59SS.*Hα-helixtrans-79.4-19.1-179.2-73.6-28.2000114.1A694 K695 E696D692-A694 PolarHBondContact O-N 2.89Å; D692-K695 PolarHBondContact O-N 3.26Å; D692-K695 WeakPolarHBondContact OD1-CD 3.4Å; D692-K695 WeakPolarHBondContact OD1-CE 3.45Å; D692-K695 IonicContact OD1-NZ 3.51Å; D692-K695 PolarHBondContact OD1-NZ 3.14Å; D692-E696 PolarHBondContact O-N 3.26Å
693I42.5Very low41Very low116 Ų116106.8 Ų106.860%0.59558%0.577SS**Hα-helixtrans-64.3-25.9174.6-59177.2000111F690F690-I693 HydrophobicContact CD1-CD1 4.24Å
694A40.4Very low41.5Very low64 Ų64102.2 Ų102.253%0.52957%0.568SS.*Hα-helixtrans-71-40.3171.700000112.1D692D692-A694 PolarHBondContact O-N 2.89Å
695K42.8Very low41.9Very low113 Ų113103.9 Ų103.949%0.49157%0.57SS.*Hα-helixtrans-75.8-32.8-174.9-58.2176.4-161149.70113.2D692 M697 D698 I699D692-K695 PolarHBondContact O-N 3.26Å; D692-K695 WeakPolarHBondContact OD1-CD 3.4Å; D692-K695 WeakPolarHBondContact OD1-CE 3.45Å; D692-K695 IonicContact OD1-NZ 3.51Å; D692-K695 PolarHBondContact OD1-NZ 3.14Å; K695-M697 PolarHBondContact O-N 2.68Å; K695-D698 PolarHBondContact O-N 3.07Å; K695-D698 VanDerWaalsContact O-N 3.14Å; K695-I699 WeakPolarHBondContact O-CG1 3.49Å; K695-I699 PolarHBondContact O-N 2.67Å; K695-I699 VanDerWaalsContact O-N 3.14Å
696E42.6Very low42.1Very low143 Ų143106 Ų10667%0.66857%0.567SS**Hα-helixtrans-59.3-32.9177.5-168.8173.9-156.700111.9D692 A700D692-E696 PolarHBondContact O-N 3.26Å; E696-A700 PolarHBondContact O-N 3.14Å
697M44Very low42.7Very low140 Ų140105.6 Ų105.669%0.6956%0.564SS**Hα-helixtrans-74.8-31177.9-161.3161.960.600113K695K695-M697 PolarHBondContact O-N 2.68Å
698D40.2Very low42.9Very low109 Ų109108.9 Ų108.958%0.58357%0.568SS**Hα-helixtrans-70.2-41.5173.2-74.1-28.6000111.4K695 A700 T701 E702K695-D698 PolarHBondContact O-N 3.07Å; K695-D698 VanDerWaalsContact O-N 3.14Å; D698-A700 VanDerWaalsContact C-N 3.28Å; D698-A700 PolarHBondContact O-N 2.81Å; D698-T701 WeakPolarHBondContact O-CA 3.36Å; D698-T701 PolarHBondContact O-N 3.26Å; D698-T701 PolarHBondContact O-OG1 3.29Å; D698-E702 PolarHBondContact O-N 2.96Å
699I47.9Very low42.9Very low99 Ų99110.1 Ų110.151%0.50857%0.57SS.*Hα-helixtrans-57.7-40.5177.8-65.8167.2000111.2K695 T701 E702 I703K695-I699 WeakPolarHBondContact O-CG1 3.49Å; K695-I699 PolarHBondContact O-N 2.67Å; K695-I699 VanDerWaalsContact O-N 3.14Å; I699-T701 VanDerWaalsContact C-N 3.27Å; I699-T701 PolarHBondContact O-N 3.1Å; I699-E702 PolarHBondContact O-N 2.97Å; I699-I703 HydrophobicContact CG2-CD1 3.92Å; I699-I703 WeakPolarHBondContact O-CG1 3.39Å; I699-I703 PolarHBondContact O-N 3.39Å; I699-I703 VanDerWaalsContact O-N 3.1Å
700A43.1Very low43Very low59 Ų59109.3 Ų109.349%0.48857%0.566SS.*Hα-helixtrans-62.7-31175.800000113.3E696 D698 T704E696-A700 PolarHBondContact O-N 3.14Å; D698-A700 VanDerWaalsContact C-N 3.28Å; D698-A700 PolarHBondContact O-N 2.81Å; A700-T704 PolarHBondContact O-OG1 3.28Å
701T45.7Very low42.7Very low84 Ų84109.4 Ų109.452%0.51557%0.571SS.*Hα-helixtrans-83.7-24.8175.766.40000113.5D698 I699 T704 K705D698-T701 WeakPolarHBondContact O-CA 3.36Å; D698-T701 PolarHBondContact O-N 3.26Å; D698-T701 PolarHBondContact O-OG1 3.29Å; I699-T701 VanDerWaalsContact C-N 3.27Å; I699-T701 PolarHBondContact O-N 3.1Å; T701-T704 PolarHBondContact O-OG1 3.44Å; T701-T704 VanDerWaalsContact O-OG1 3.08Å; T701-K705 PolarHBondContact O-N 3.34Å
702E44.3Very low42.8Very low102 Ų102110.3 Ų110.348%0.47758%0.575SS.*Hα-helixtrans-73.2-40173.5-157.6-163.9132.700112D698 I699 T704 K705 K706D698-E702 PolarHBondContact O-N 2.96Å; I699-E702 PolarHBondContact O-N 2.97Å; E702-T704 VanDerWaalsContact C-N 3.35Å; E702-T704 PolarHBondContact O-N 3.22Å; E702-K705 WeakPolarHBondContact O-CB 3.37Å; E702-K705 PolarHBondContact O-N 3.24Å; E702-K705 VanDerWaalsContact O-N 3.13Å; E702-K706 PolarHBondContact O-N 3.08Å; E702-K706 WeakPolarHBondContact OE1-CE 3.34Å; E702-K706 IonicContact OE1-NZ 2.63Å; E702-K706 PolarHBondContact OE1-NZ 3.36Å
703I51Low42.5Very low110 Ų110113.6 Ų113.656%0.56459%0.588SS**Hα-helixtrans-61.3-42.8178.4-69.1166.2000111.2I699 K705 K706 S707I699-I703 HydrophobicContact CG2-CD1 3.92Å; I699-I703 WeakPolarHBondContact O-CG1 3.39Å; I699-I703 PolarHBondContact O-N 3.39Å; I699-I703 VanDerWaalsContact O-N 3.1Å; I703-K705 VanDerWaalsContact C-N 3.3Å; I703-K705 PolarHBondContact O-N 2.9Å; I703-K706 PolarHBondContact O-N 2.63Å; I703-S707 PolarHBondContact O-N 3.13Å; I703-S707 VanDerWaalsContact O-N 3.13Å
704T46.8Very low42Very low83 Ų83116.8 Ų116.851%0.50960%0.6SS.*Hα-helixtrans-65.9-32.4176.241.80000112.2A700 T701 E702 S707A700-T704 PolarHBondContact O-OG1 3.28Å; T701-T704 PolarHBondContact O-OG1 3.44Å; T701-T704 VanDerWaalsContact O-OG1 3.08Å; E702-T704 VanDerWaalsContact C-N 3.35Å; E702-T704 PolarHBondContact O-N 3.22Å; T704-S707 PolarHBondContact O-OG 3.39Å
705K43.4Very low41.7Very low144 Ų144116.6 Ų116.663%0.62661%0.605SS**Hα-helixtrans-66-49.2172.5-130.1174.5-176.9179.90112.7T701 E702 I703 S707 Q708 E709T701-K705 PolarHBondContact O-N 3.34Å; E702-K705 WeakPolarHBondContact O-CB 3.37Å; E702-K705 PolarHBondContact O-N 3.24Å; E702-K705 VanDerWaalsContact O-N 3.13Å; I703-K705 VanDerWaalsContact C-N 3.3Å; I703-K705 PolarHBondContact O-N 2.9Å; K705-S707 VanDerWaalsContact C-N 3.29Å; K705-S707 PolarHBondContact O-N 3.32Å; K705-Q708 PolarHBondContact O-N 3.43Å; K705-E709 PolarHBondContact O-N 2.98Å
706K42.7Very low41.1Very low113 Ų113117 Ų11749%0.49162%0.616SS.*Hα-helixtrans-60.8-35.2178.6-87.6169.4172.2159.90113.2E702 I703 Q708 E709 I710E702-K706 PolarHBondContact O-N 3.08Å; E702-K706 WeakPolarHBondContact OE1-CE 3.34Å; E702-K706 IonicContact OE1-NZ 2.63Å; E702-K706 PolarHBondContact OE1-NZ 3.36Å; I703-K706 PolarHBondContact O-N 2.63Å; K706-Q708 PolarHBondContact O-N 3.04Å; K706-E709 PolarHBondContact O-N 3.13Å; K706-I710 WeakPolarHBondContact O-CG1 2.93Å; K706-I710 PolarHBondContact O-N 2.82Å
707S46.6Very low40.4Very low69 Ų69115.9 Ų115.948%0.48363%0.625SS.*Hα-helixtrans-65.3-25.3175.471.30000113.9I703 T704 K705I703-S707 PolarHBondContact O-N 3.13Å; I703-S707 VanDerWaalsContact O-N 3.13Å; T704-S707 PolarHBondContact O-OG 3.39Å; K705-S707 VanDerWaalsContact C-N 3.29Å; K705-S707 PolarHBondContact O-N 3.32Å
708Q42.4Very low39.8Very low135 Ų135117.9 Ų117.963%0.63164%0.637SS**Hα-helixtrans-84.5-33.2177.3-69.1-178.7-17.700112.8K705 K706K705-Q708 PolarHBondContact O-N 3.43Å; K706-Q708 PolarHBondContact O-N 3.04Å
709E37.4Very low39.2Very low132 Ų132117 Ų11762%0.61765%0.645SS**Hα-helixtrans-70.6-37.8176.8-69-176.9138.700112.6K705 K706 L711 L712 Q713K705-E709 PolarHBondContact O-N 2.98Å; K706-E709 PolarHBondContact O-N 3.13Å; E709-L711 VanDerWaalsContact C-N 3.29Å; E709-L711 PolarHBondContact O-N 3.42Å; E709-L712 PolarHBondContact O-N 3.3Å; E709-L712 VanDerWaalsContact O-N 3.15Å; E709-Q713 PolarHBondContact O-N 3.34Å
710I41.4Very low38.3Very low119 Ų119121.1 Ų121.161%0.6166%0.662SS**Hα-helixtrans-62.5-38.2176.5-66.1167.3000111K706 L712 Q713K706-I710 WeakPolarHBondContact O-CG1 2.93Å; K706-I710 PolarHBondContact O-N 2.82Å; I710-L712 PolarHBondContact O-N 3.28Å; I710-Q713 PolarHBondContact O-N 3.28Å
711L37.2Very low37.5Very low140 Ų140123.8 Ų123.873%0.73368%0.677SS**Hα-helixtrans-68.1-15.1178.1-116167000114E709E709-L711 VanDerWaalsContact C-N 3.29Å; E709-L711 PolarHBondContact O-N 3.42Å
712L36.6Very low36.8Very low142 Ų142128.6 Ų128.674%0.74369%0.693SS**Hα-helixtrans-96.1-15.7177.2-75.3167.5000113.8E709 I710E709-L712 PolarHBondContact O-N 3.3Å; E709-L712 VanDerWaalsContact O-N 3.15Å; I710-L712 PolarHBondContact O-N 3.28Å
713Q33.9Very low36.7Very low170 Ų170129 Ų12979%0.79471%0.705SS**Hα-helixtrans-88.5-22.7175.7-71.9-167.7-9.100113.7E709 I710 G715E709-Q713 PolarHBondContact O-N 3.34Å; I710-Q713 PolarHBondContact O-N 3.28Å; Q713-G715 PolarHBondContact O-N 3.25Å
714Q32.4Very low35.6Very low183 Ų183128.1 Ų128.186%0.85571%0.708SS**SBendtrans-82.935.5177.5-155173.29.200112.9
715G33.5Very low34.6Very low60 Ų60132.7 Ų132.762%0.61972%0.724SS**SBendtrans-128.414.3-166.100000116.2Q713Q713-G715 PolarHBondContact O-N 3.25Å
716T30.3Very low33.9Very low121 Ų121130.5 Ų130.574%0.74273%0.727SS**  trans-145.9154.7-173.39.90000114.4
717S26.9Very low33.2Very low120 Ų120131.4 Ų131.484%0.83974%0.737SS**  trans59.580.8173.550.60000117.8
718L31.8Very low32.2Very low181 Ų181136.3 Ų136.395%0.94875%0.75SS**  trans-97.8122.7144.8-178.896000107.7
719A28.3Very low31.4Very low91 Ų91134.4 Ų134.475%0.75275%0.752SS**  trans-157.182.1176.100000113
720E29Very low30.9Very low186 Ų186134.5 Ų134.587%0.86976%0.756SS**  trans27.4111132.6-170.4167.3-13300120.3
721S26.4Very low30.1Very low115 Ų115139 Ų13980%0.80477%0.765SS**  171.8148.5121.143.10000114.4
722H30.9Very low29.5Very low185 Ų185138.2 Ų138.286%0.85677%0.771SS**  trans-102.7176164.3-68.3-66.8000108.2
723P41.8Very low29.1Very low111 Ų111138.3 Ų138.372%0.72177%0.771SS**  cis-150.8-177.522.441.1-17.1000119.1
724S27.2Very low28.7Very low90 Ų90135 Ų13563%0.62977%0.768SS**  trans46.8133.813866.20000125.4
725E27.2Very low28.5Very low179 Ų179134.3 Ų134.384%0.83676%0.764SS**  85.6123128.2-79.2174.7-17600124.6
726S27.2Very low28.2Very low99 Ų99137.3 Ų137.369%0.69277%0.766SS**  87.4121.7128.175.90000122.9
727D28.1Very low28Very low132 Ų132140.2 Ų140.271%0.70677%0.768SS**  82.7117118.6-76.928.3000125.7
728F27Very low28Very low172 Ų172142 Ų14275%0.75477%0.767SS**  trans62161.4148.2-71.2-78.4000118.2L730F728-L730 HydrophobicContact CD1-CD1 4.39Å
729S25.9Very low27.9Very low95 Ų95141.7 Ų141.766%0.66476%0.761SS**  cis-150.3135.611.2-134.20000114.3
730L26.5Very low28.4Very low134 Ų134142.4 Ų142.470%0.70276%0.758SS**  43.6125.5121.1-71.9169.4000124F728F728-L730 HydrophobicContact CD1-CD1 4.39Å
731R24.1Very low28.3Very low214 Ų214138 Ų13881%0.80875%0.748SS**  83.9118.2116.3-169.3-170.5-161.3-174.16.4121.4
732S24.8Very low28.3Very low122 Ų122140.8 Ų140.885%0.85375%0.748SS**  trans-142.1169138.459.50000110.1
733L28.4Very low28.1Very low144 Ų144140 Ų14075%0.75474%0.742SS**  trans-146.9149.5-166-104.4166.7000111.6
734S25.8Very low27.4Very low102 Ų102141.7 Ų141.771%0.71374%0.744SS**  trans67.2151.2165-140.60000114.9
735E27.2Very low27.4Very low168 Ų168141.2 Ų141.279%0.78574%0.741SS**  cis-157.8151.148.3-72.6177.115300114.3
736D27.8Very low27.5Very low122 Ų122139.3 Ų139.365%0.65274%0.736SS**  trans67.6125133.8-68.316.5000126.9
737F25.3Very low27.4Very low182 Ų182142.6 Ų142.680%0.79874%0.74SS**  trans35.8136.1137.4-64.8-89.5000121.1
738I26.3Very low27.3Very low159 Ų159141.1 Ų141.182%0.81574%0.74SS**  -161.6149.668.5-85.4178.8000111.1
739Q30.2Very low27.1Very low174 Ų174139.8 Ų139.881%0.81374%0.739SS**  trans-116.3153.7165.4-141.4-159.73.500109.6
740P39.8Very low27.1Very low106 Ų106140.7 Ų140.769%0.68875%0.746SS**  -143.3-155.185.838.3-17.7000110.4
741S26.2Very low27Very low94 Ų94138 Ų13866%0.65775%0.75SS**  cis-161.5162.43-150.50000111.9
742Q26.5Very low27Very low173 Ų173132.8 Ų132.881%0.80875%0.746SS**  trans60.5141161.1-61.7-165.62900120.3
743K27.1Very low27Very low169 Ų169137.1 Ų137.174%0.73574%0.744SS**  cis-172.8130.2-29.6-128-170.1172-174.80109.2
744L27.3Very low26.9Very low145 Ų145141 Ų14176%0.75975%0.749SS**  trans52.1165.1143.9-63.4170.2000120.4
745S27.5Very low26.8Very low81 Ų81140.4 Ų140.457%0.56674%0.744SS**  cis-175156-35.859.50000110.7
746L27.6Very low26.7Very low139 Ų139143.5 Ų143.573%0.72875%0.749SS**  trans66.4122.2147.4-71.4163.9000121.5
747Q26Very low26.6Very low167 Ų167143.6 Ų143.678%0.7875%0.754SS**  55.6116.2127.3-74-178.8-7.700122.4
748S25.3Very low26.6Very low101 Ų101140.4 Ų140.471%0.70675%0.753SS**  119148.7107.5740000121.4
749I24.6Very low26.7Very low144 Ų144138 Ų13874%0.73875%0.751SS**  trans74.8121.4142.6-76.5158.7000120.9
750S25.1Very low26.8Very low115 Ų115135.6 Ų135.680%0.80475%0.75SS**  trans58.3129.4155.969.40000120
751G24.7Very low26.7Very low76 Ų76135.5 Ų135.578%0.78475%0.747SS**  trans-111.5171.8155.800000110.9
752S24.5Very low27Very low105 Ų105137 Ų13773%0.73476%0.755SS**  trans-157.6152.6160.385.10000112.7
753R24.4Very low27Very low213 Ų213135.2 Ų135.280%0.80475%0.747SS**  trans53.4113.4147-71.9177.8178-162.40.1118
754R25.4Very low26.9Very low227 Ų227135 Ų13586%0.85775%0.746SS**  73.4141.596-78.5-171.1178.6-173.80114
755S24.6Very low26.8Very low88 Ų88135 Ų13562%0.61574%0.742SS**  cis-176.8171.3-0.146.50000111.4
756R25.6Very low26.8Very low234 Ų234135.2 Ų135.288%0.88374%0.743SS**  trans77.9153.1173.3-53.9176.4172.4165.3-3.8112.1
757T25.7Very low26.8Very low123 Ų123135.1 Ų135.176%0.75574%0.744SS**  cis-146.814428-51.80000113.6
758C25Very low27Very low116 Ų116131.6 Ų131.678%0.78474%0.738SS**  trans43.7121.4157.6-63.90000123.5
759S27.6Very low26.9Very low109 Ų109136.2 Ų136.276%0.76275%0.748SS**  trans-54.1169.5139.642.30000112.5
760P32.8Very low27.1Very low122 Ų122139.3 Ų139.379%0.79275%0.752SS**  cis-150.9176.73944.2-22.8000120.4
761T37.5Very low27.2Very low105 Ų105139.9 Ų139.964%0.64475%0.746SS**  trans-61.4168.6159.5-14.70000112.4Q763T761-Q763 HydrophobicContact CG2-CG 4.13Å
762P31.4Very low27.4Very low126 Ų126141.5 Ų141.582%0.81874%0.74SS**  -138.9156.496.837.6-25.6000115.5
763Q27.7Very low27.5Very low135 Ų135144.2 Ų144.263%0.63174%0.741SS**  trans-104.4-165.3169.9-67.6168.9-92.600110.3T761T761-Q763 HydrophobicContact CG2-CG 4.13Å
764F24.9Very low27.6Very low164 Ų164140.5 Ų140.572%0.71974%0.738SS**  trans91.5108.6165.1-52.6-71.4000114.8
765Q25.1Very low27.7Very low144 Ų144135.2 Ų135.267%0.67374%0.736SS**  cis85.1132.740.7-68.9-171.8-81.400114.7
766S26.5Very low27.8Very low86 Ų86139.4 Ų139.460%0.60175%0.745SS**  trans71.6150.1134.2-67.50000120
767D28.9Very low28.1Very low138 Ų138134 Ų13474%0.73873%0.734SS**  cis-165.6177.2-14.3-112.2-34.8000112.8
768S29.4Very low28.1Very low93 Ų93137.9 Ų137.965%0.6574%0.741SS**  trans82.1140145.176.40000121.3
769E23.5Very low28.5Very low198 Ų198138.5 Ų138.593%0.92574%0.74SS**  -126156.498.4-85.1-170.3146.300109.8
770Y27.8Very low28.9Very low209 Ų209138.6 Ų138.682%0.8274%0.739SS**  trans-85.9173.1174.5-94.2-95.2000110.5
771N28.4Very low28.6Very low126 Ų126138.1 Ų138.167%0.67474%0.737SS**  cis-144.2-170.911-145.9-10.5000107.3
772V27.7Very low28.1Very low110 Ų110138.2 Ų138.267%0.66774%0.742SS**  cis-156.7165.214.6-121.40000107.2
773E26.8Very low27.9Very low162 Ų162141 Ų14176%0.75774%0.744SS**  cis-145.3-122.7-3.6-159.7177.9-69.600110.1
774N27.5Very low27.9Very low136 Ų136139.3 Ų139.373%0.72775%0.747SS**  trans-121.6141.7-168.6-63.4-38.4000113.9
775S27.9Very low28.1Very low116 Ų116137.1 Ų137.181%0.81175%0.747SS**  156.5117.810366.60000114.1
776Q26.9Very low28.7Very low175 Ų175136.6 Ų136.682%0.81876%0.756SS**  trans-158.5147.9162.8-82.8-169-94.300105.7
777D30.9Very low28.8Very low120 Ų120139.7 Ų139.764%0.64276%0.764SS**  cis-149.9169.1-9.3-91.8-39.5000107
778F25Very low28.9Very low206 Ų206138.6 Ų138.690%0.90477%0.768SS**  trans165156.6133.3-101.8-77.7000113.5
779V33.8Very low28.8Very low128 Ų128136.7 Ų136.778%0.77676%0.762SS**  trans-138.8132.5178.4166.30000105.6
780P37.1Very low29Very low112 Ų112137.5 Ų137.573%0.72776%0.763SS**  -158.217195.342.5-22.5000119.5
781C25.4Very low29.1Very low112 Ų112135.9 Ų135.976%0.75776%0.763SS**  trans79.1103.6151.3-71.10000122.6
782S26.9Very low29.3Very low107 Ų107139.2 Ų139.275%0.74877%0.774SS**  75.4111.3121.4-53.70000121.8
783Q28.2Very low29.4Very low185 Ų185140.2 Ų140.286%0.86478%0.781SS**  -174.3146.799.1-97.5-177.418.900114.4
784S27.9Very low29.5Very low99 Ų99142.6 Ų142.669%0.69278%0.783SS**  trans62.5100.3150.2-54.90000123.1
785T29.3Very low29.7Very low118 Ų118143.6 Ų143.672%0.72479%0.787SS**  4.8152.312617.10000120.8I787T785-I787 HydrophobicContact CG2-CG1 4.38Å
786P36.6Very low29.7Very low132 Ų132145.3 Ų145.386%0.85778%0.782SS**  -136.1175.258.239.8-23.2000118.4
787I29.4Very low29.9Very low151 Ų151140.7 Ų140.777%0.77478%0.781SS**  trans-91.9144.8-171.7-65.4153.5000111T785T785-I787 HydrophobicContact CG2-CG1 4.38Å
788S30.3Very low29.9Very low116 Ų116141.8 Ų141.881%0.81179%0.785SS**  trans-113.4116.2158.7-177.20000109.3
789G26.8Very low30.2Very low52 Ų52140.1 Ų140.154%0.53679%0.786SS.*PPolyproline II helixtrans-85139.418000000112.4
790F28.7Very low29.9Very low215 Ų215144.2 Ų144.294%0.94379%0.788SS**PPolyproline II helixtrans-77.8124.4170.5-80.4-84.2000110.7
791H30.5Very low29.5Very low175 Ų175143.5 Ų143.581%0.8179%0.791SS**PPolyproline II helixtrans-70.3141.4-176.9-76.5-104.2000112.8T793H791-T793 PolarHBondContact O-N 3.15Å; H791-T793 VanDerWaalsContact O-N 3.12Å
792Q31.7Very low29.6Very low196 Ų196147.9 Ų147.992%0.91680%0.797SS**  trans-68.7100.4162.5-71.8-179-17.800110.4R794Q792-R794 PolarHBondContact O-N 3.46Å; Q792-R794 VanDerWaalsContact O-N 3.1Å
793T30.9Very low29.8Very low131 Ų131152.5 Ų152.580%0.80480%0.804SS**  trans-80.188.8165.651.50000110.1H791 I795H791-T793 PolarHBondContact O-N 3.15Å; H791-T793 VanDerWaalsContact O-N 3.12Å; T793-I795 PolarHBondContact O-N 3.4Å
794R28.3Very low29.7Very low212 Ų212152.8 Ų152.880%0.880%0.802SS**  trans-45.2123.7168.5169.7-173.6-77.5179.1-6110.4Q792 H796Q792-R794 PolarHBondContact O-N 3.46Å; Q792-R794 VanDerWaalsContact O-N 3.1Å; R794-H796 PolarHBondContact O-N 2.83Å
795I30.6Very low29.7Very low157 Ų157153.3 Ų153.381%0.80580%0.803SS**  trans-64.3125.6171.2-60.7175000108.8T793T793-I795 PolarHBondContact O-N 3.4Å
796H28.2Very low29.6Very low153 Ų153153.1 Ų153.171%0.70880%0.802SS**  trans-111118.3163.5-102.822.6000108.8R794R794-H796 PolarHBondContact O-N 2.83Å
797G30.9Very low29.1Very low78 Ų78155.7 Ų155.780%0.80480%0.8SS**  trans-74.9125.2175.500000110.4
798I30.6Very low29Very low142 Ų142157.5 Ų157.573%0.72880%0.798SS**  trans-116.5108.7169.9-64.4180000107.9R800I798-R800 PolarHBondContact O-N 3.04Å
799N31.8Very low28.9Very low172 Ų172157.3 Ų157.392%0.9280%0.797SS**  trans-62.7122.4166-75.6-31.1000109
800R28Very low29Very low214 Ų214161.3 Ų161.381%0.80881%0.806SS**  trans-137.3123.6165.8-169.9170.2-75.3-164.6-2.4109.2I798I798-R800 PolarHBondContact O-N 3.04Å
801A28.2Very low29Very low96 Ų96159.2 Ų159.279%0.79380%0.804SS**  trans-72.5136.1-170.600000112.5K803A801-K803 PolarHBondContact O-N 2.98Å
802F28Very low29Very low205 Ų205158.3 Ų158.390%0.89981%0.805SS**  trans-75.7112.9171.8-68.6-84.8000110.6
803K30.2Very low28.9Very low203 Ų203152.9 Ų152.988%0.88379%0.793SS**PPolyproline II helixtrans-79.2135.1159.9-74.5-172.9175.2-176.70108.9A801A801-K803 PolarHBondContact O-N 2.98Å
804K27.9Very low28.8Very low192 Ų192152.8 Ų152.884%0.83579%0.788SS**PPolyproline II helixtrans-67.6137.8174.5-62.6179.7179.6-179.60110.1
805P27.9Very low28.7Very low109 Ų109151.5 Ų151.571%0.70879%0.785SS**PPolyproline II helixtrans-71.2133.6161.230.7-31.7000109.3
806V25.7Very low28.6Very low114 Ų114150.3 Ų150.369%0.69178%0.775SS**PPolyproline II helixtrans-96.7124.9166.5177.20000106.9Y808V806-Y808 HydrophobicContact CG1-CD2 3.83Å; V806-Y808 HydrophobicContact CG1-CE2 3.83Å; V806-Y808 PolarHBondContact O-N 2.7Å
807F26.9Very low28.5Very low186 Ų186149.9 Ų149.982%0.81677%0.771SS**  trans-79.3108.3169.7-74.4-84.9000108.9
808Y26.8Very low28.3Very low189 Ų189152.7 Ų152.774%0.74177%0.767SS**  trans-89.7133.6157.7-91.7-94.2000108.6V806V806-Y808 HydrophobicContact CG1-CD2 3.83Å; V806-Y808 HydrophobicContact CG1-CE2 3.83Å; V806-Y808 PolarHBondContact O-N 2.7Å
809S28.9Very low28.1Very low112 Ų112158 Ų15878%0.78378%0.778SS**  trans-126.883.8178.9-64.30000108.1
810D28Very low27.9Very low136 Ų136156.9 Ų156.973%0.72777%0.77SS**  trans-104.6119.3178.2-70.4-47.5000110.7
811L29.4Very low27.9Very low172 Ų172155.5 Ų155.590%0.90177%0.77SS**  trans-160.579.9153.1-113173.4000109.7
812D29.7Very low28.1Very low155 Ų155157 Ų15783%0.82977%0.772SS**  trans-57.6156.3152.2-93.7-25.5000109.9
813A29.6Very low28Very low82 Ų82154.7 Ų154.768%0.67876%0.764SS**  cis-168.6-174.2-11.700000107.9
814N28.3Very low27.9Very low129 Ų129153.2 Ų153.269%0.6977%0.766SS**  149.1150.1115-157.7-0.3000112.5
815Y27.8Very low28Very low186 Ų186149.1 Ų149.173%0.72975%0.753SS**  trans62.1134.4-179.5-62.8-87.2000116.7
816E28.4Very low28.1Very low131 Ų131151.2 Ų151.261%0.61275%0.751SS**  cis-168.1173.9-20.8-127.8-165.1172.400107.3
817K26Very low28.4Very low144 Ų144152.6 Ų152.663%0.62675%0.75SS**  cis-157.2171.96.1-154.9177.4-166.876.90108.8
818I27Very low28.5Very low138 Ų138152.2 Ų152.271%0.70875%0.751SS**  trans62.8108.1163.3-48.6171.8000116.9I820I818-I820 HydrophobicContact CG2-CG1 4.38Å
819R25.2Very low28.5Very low253 Ų253147.5 Ų147.596%0.95575%0.751SS**  trans-127.2152.5134.9-96-165.8-179.6-154.21.6109.9
820I28Very low28.4Very low148 Ų148147.3 Ų147.376%0.75975%0.749SS**PPolyproline II helixtrans-92160.6-175.8-66.3172000109.8I818I818-I820 HydrophobicContact CG2-CG1 4.38Å
821F28Very low29Very low185 Ų185146.2 Ų146.281%0.81175%0.749SS**PPolyproline II helixtrans-47.5150.4-168.2-66.8-91000117.2
822P33Very low29Very low127 Ų127143.4 Ų143.483%0.82574%0.744SS**PPolyproline II helixtrans-84.6135.9158.334.9-30000110.9
823E25.6Very low28.9Very low158 Ų158141.7 Ų141.774%0.73874%0.743SS**  trans-149111.2171.9-166.6171.9-177.300111.5
824N27.8Very low29.5Very low172 Ų172143.6 Ų143.692%0.9275%0.748SS**  trans-163.560.9148.5-101.3-32000109.7
825D29.6Very low29.6Very low106 Ų106146 Ų14657%0.56775%0.753SS**  trans-20.1166.1146.3-167.722.7000118.2
826K30Very low29.6Very low153 Ų153143.8 Ų143.867%0.66575%0.754SS**  trans87.2134.1162.3-55.5167.7-162.9164.10118.2
827Q32.9Very low29.6Very low142 Ų142143.8 Ų143.866%0.66476%0.756SS**  cis-165.3161.1-12.1-124.2166.916.400112.2
828Q28.1Very low29.7Very low179 Ų179145.6 Ų145.684%0.83677%0.765SS**  trans68.5144.1156-73.4174.7-0.100118.2
829A26.4Very low29.7Very low90 Ų90145.4 Ų145.474%0.74477%0.77SS**  cis-149.8170-3.200000113.8
830S26.7Very low30.8Very low108 Ų108138.7 Ų138.776%0.75576%0.759SS**  trans-51.1166.3167.857.80000115
831P42.4Very low30.8Very low112 Ų112136.8 Ų136.873%0.72776%0.759SS**  cis-153.1-170.734.744.9-23.6000119.6
832S28.7Very low31.1Very low113 Ų113136 Ų13679%0.7976%0.758SS**  trans93.6121.8154.676.90000119.9
833C27Very low30.9Very low120 Ų120138.1 Ų138.181%0.81175%0.754SS**  trans-110.6156.1155.2-51.90000108.1
834P42.5Very low31Very low121 Ų121138 Ų13879%0.78676%0.757SS**  -125.7148.1106.70.920.7000111.1
835K30.1Very low31Very low179 Ų179140.8 Ų140.878%0.77875%0.754SS**  61.198.256-70-172.8177179.80115
836N28.7Very low31Very low141 Ų141140.7 Ų140.775%0.75476%0.762SS**  169.6141.5118.3-80.8-28.9000109.8
837I27.8Very low31.8Very low130 Ų130138.3 Ų138.367%0.66776%0.762SS**  cis98.9130.529.2-70.6174.1000113.4
838K28Very low31.7Very low183 Ų183139 Ų13980%0.79677%0.769SS**  trans77.7123.6179.2-67.6150.9-170.5177.70113.8
839T27Very low31.7Very low133 Ų133136.2 Ų136.282%0.81676%0.764SS**  cis75.1159.425.8-3.30000113.9
840P49Very low31.9Very low113 Ų113137.1 Ų137.173%0.73476%0.764SS**  -127.5-180-105.143.1-27.7000116.3
841S27.5Very low32Very low108 Ų108135.5 Ų135.576%0.75577%0.765SS**  trans-159.4128.9162.8-70.40000109.1
842Q34.2Very low31.4Very low167 Ų167137.6 Ų137.678%0.7877%0.768SS**  59140.286-63.2-16814.100114.1
843K28.7Very low31.3Very low172 Ų172137.4 Ų137.475%0.74877%0.767SS**  cis-165.7174.241.4-145166.4-165.1170.70112.2
844I27.8Very low31.3Very low155 Ų155140.5 Ų140.580%0.79577%0.77SS**  trans75.5138163.2-63.4162.4000115.3
845R27.9Very low31.4Very low232 Ų232139.7 Ų139.788%0.87576%0.764SS**  cis-170.7139.8-19-177.9177.3-169.5170.62.6108.4
846S29.6Very low31.2Very low104 Ų104139.8 Ų139.873%0.72777%0.768SS**  trans-87.5168172.859.60000112.1
847P46.3Very low31Very low103 Ų103138.1 Ų138.167%0.66976%0.762SS**  -154.9169.491.342.3-24.8000117.5
848I30.7Very low30.8Very low156 Ų156141.1 Ų141.180%0.877%0.771SS**  trans69.8130.3147.3-73.8161000117.4
849V29.3Very low30.8Very low121 Ų121139.4 Ų139.473%0.73377%0.771SS**  cis-151.9160.42.31050000113.8
850S30.6Very low31.1Very low108 Ų108138.6 Ų138.676%0.75577%0.767SS**  trans-2.2146165.2-45.20000121.2
851G28.1Very low30.3Very low75 Ų75138.3 Ų138.377%0.77377%0.768SS**  cis175.2-149500000109.5
852I30.3Very low30.9Very low155 Ų155138.8 Ų138.880%0.79577%0.769SS**  cis-154.1164.2-2.4-56.7178.3000107.8
853S26.7Very low30.7Very low109 Ų109140 Ų14076%0.76277%0.772SS**  trans63.3115.7159.552.80000122.6
854Q26.2Very low30.5Very low185 Ų185136.3 Ų136.386%0.86477%0.773SS**  trans-76.6179.4135-70.2-171.8-27.600109.4
855P44.4Very low30.6Very low104 Ų104136.8 Ų136.868%0.67577%0.772SS**  cis-146.1170.315.845.5-25.7000118.8
856E27.2Very low30.3Very low181 Ų181131.2 Ų131.285%0.84677%0.768SS**  46.8167.3127.8-150.3171.6-133.900124.5
857V23.3Very low30Very low106 Ų106133.2 Ų133.264%0.64277%0.765SS**  trans83.8141160.8-132.30000121.4
858F25.1Very low29.2Very low194 Ų194135.6 Ų135.685%0.85177%0.767SS**  trans87105.6157.6-71.8-64.1000122.8
859N26.6Very low29.1Very low147 Ų147134 Ų13479%0.78677%0.765SS**  trans-54.7164.9136.3-69.4-26.1000110.8
860P34.2Very low29.1Very low115 Ų115134.6 Ų134.675%0.74776%0.764SS**  cis-142.1-16720.440.7-19.6000115.2
861S32.7Very low29Very low107 Ų107133.6 Ų133.675%0.74876%0.757SS**  trans-75.8155.8148.456.70000110.1
862P39.6Very low29.1Very low118 Ų118136.6 Ų136.677%0.76676%0.755SS**  -154.1-177.997.141-22.8000116.4
863F29.5Very low29.1Very low194 Ų194136.4 Ų136.485%0.85175%0.751SS**  trans-65.5148.8169.7-72.1-122.3000114
864A25.5Very low29.1Very low94 Ų94141 Ų14178%0.77775%0.752SS**  trans-170.7131.7130.900000106.4
865E28Very low29.2Very low164 Ų164139.2 Ų139.277%0.76675%0.753SS**  cis71.883.326.9-159.4169.6-114.200114.7
866C22.4Very low29.3Very low116 Ų116139.1 Ų139.178%0.78475%0.753SS**  trans-156131147.4-89.80000106.1
867H24.5Very low30.2Very low146 Ų146135.5 Ų135.568%0.67675%0.745SS**  59.8134.566.3-74.2-87.5000112.6
868E27.8Very low30.9Very low152 Ų152136.3 Ų136.371%0.7175%0.75SS**  cis-170-150.5-15.4-152.2162-164.800106.1
869T29.2Very low31.4Very low123 Ų123132.1 Ų132.176%0.75574%0.741SS**  trans65.6137.4162.552.90000118.6
870D29.8Very low32Very low133 Ų133131.6 Ų131.671%0.71173%0.734SS**  cis-164.7171.6-18.7-142.4-38.9000110.4
871S28Very low31.8Very low87 Ų87133.8 Ų133.861%0.60873%0.731SS**  trans52.8140.3138.1-70.60000121.3
872D30.5Very low31.7Very low139 Ų139134.5 Ų134.574%0.74373%0.725SS**  cis-167.9-175-3.8-139.7-39.9000111.5
873E29.1Very low31.3Very low150 Ų150137.5 Ų137.570%0.70173%0.727SS**  trans66.1137.3152.6-79.6-167.6151.100119.6
874W27.8Very low32Very low206 Ų206133.6 Ų133.678%0.7872%0.721SS**  cis-143.9135.7-2.8-103.395.5000108.2
875V27.5Very low32.4Very low148 Ų148133.3 Ų133.390%0.89771%0.713SS**  trans-142.3102-175.2-1720000116.5
876P47.6Very low32.4Very low102 Ų102132.2 Ų132.266%0.66271%0.712SS**  trans-134.3174.3166.338.3-23.6000114.5
877P45.1Very low32.7Very low104 Ų104133.7 Ų133.768%0.67571%0.709SS**  cis-132146-25.236.3-18.9000116
878T37.8Very low32.9Very low124 Ų124134.1 Ų134.176%0.76172%0.716SS**  trans67.4149.3141.9580000121.4
879T36.9Very low32.8Very low106 Ų106129.6 Ų129.665%0.6571%0.71SS**  cis-155.8127.58.2-1.90000114
880Q37.7Very low32.7Very low136 Ų136134.2 Ų134.264%0.63672%0.72SS**  52.3153.8125.8-64.9179.39.300122.2
881K31.6Very low32.6Very low161 Ų161136.2 Ų136.270%0.773%0.725SS**  cis-152.8138.98.8-118.8146.7179.5157.40108.4
882I30.3Very low32.6Very low121 Ų121137.1 Ų137.162%0.62173%0.727SS**  83.9127.354-78.6168.8000113.2
883F31.5Very low32.4Very low182 Ų182138.2 Ų138.280%0.79873%0.731SS**  cis-149.7-65.8-2.9-110.5-33.2000119.1
884P44.5Very low32.3Very low111 Ų111134.5 Ų134.572%0.72173%0.733SS**  trans-129.7-175.9-131.235.1-19.2000118.3
885S32.5Very low32.4Very low88 Ų88133 Ų13362%0.61574%0.74SS**  cis169.1-170.3-41.867.80000109.3
886D29.3Very low32.4Very low141 Ų141129.7 Ų129.775%0.75474%0.736SS**  trans70.7162.8155.8-69.322.6000120.3
887M27.2Very low31.6Very low147 Ų147133.8 Ų133.872%0.72474%0.743SS**  cis-167.8162.6-49-125.1-146.4112.300108.8
888L29.2Very low30.7Very low155 Ų155134.2 Ų134.281%0.81275%0.747SS**  trans63.5148171.4-57.6151000115.1
889G25.8Very low30.3Very low57 Ų57135.8 Ų135.859%0.58875%0.75SS**  cis119.689-1.200000112.5
890F27.9Very low29.8Very low220 Ų220134.7 Ų134.797%0.96575%0.752SS**  trans-153.5167.6157.3-102.8-65.9000112.1
891Q27.4Very low29.3Very low176 Ų176132.1 Ų132.182%0.82275%0.754SS**  trans-118.1-164.5-160.1-170-17424.300110.2
892V27.2Very low29Very low106 Ų106133.2 Ų133.264%0.64276%0.761SS**  trans100.4100.2150.3-170.30000118.3
893I26.7Very low28.7Very low161 Ų161135.1 Ų135.183%0.82677%0.767SS**  trans64.7139.5139.7-59.2172.7000120.4
894G27.3Very low28.5Very low73 Ų73135.2 Ų135.275%0.75377%0.767SS**  trans172.789.8158.600000115.7
895L29.1Very low28.7Very low174 Ų174134.6 Ų134.691%0.91176%0.763SS**  trans-67145.2169.1-70.991.1000111.3
896G27Very low28.4Very low79 Ų79137.2 Ų137.281%0.81477%0.771SS**  trans-170.961.1179.300000117.4
897K31.2Very low28.2Very low188 Ų188138.7 Ų138.782%0.81777%0.773SS**  trans-39145.8175.7-62.5172.8177.61760117.2
898C26.3Very low28.1Very low113 Ų113139.9 Ų139.976%0.76478%0.777SS**  trans68.9159.2141.5-70.40000119.9
899L29.3Very low28.5Very low157 Ų157140.3 Ų140.382%0.82278%0.779SS**  cis-167.4158.2-36.9-120.9176.3000109
900A27.2Very low29.4Very low83 Ų83142.6 Ų142.669%0.68678%0.783SS**  trans60.1125.7151.700000122.3
901A26.7Very low29.6Very low82 Ų82142.8 Ų142.868%0.67878%0.778SS**  trans52.7135.2130.200000122.2
902H25.6Very low29.8Very low183 Ų183144.4 Ų144.485%0.84778%0.782SS**  -165.8-178.794.8-104-77.9000112.2
903H22.9Very low30Very low161 Ų161148.6 Ų148.675%0.74579%0.792SS**  trans-89157.9-169.2-86.3-109.6000114.7
904F29Very low30.2Very low184 Ų184148.4 Ų148.481%0.80779%0.791SS**  trans4.5162.1130.3-65.8-93.5000120.2
905P47.8Very low30.5Very low98 Ų98152.6 Ų152.664%0.63679%0.789SS**  cis-140.5-167.4-1.929.3-3.8000115.8
906D25.8Very low30.5Very low144 Ų144152.2 Ų152.277%0.7778%0.782SS**  trans89135.3135.2-81.1-29.9000125.7
907Q26.2Very low31Very low171 Ų171155.6 Ų155.680%0.79978%0.78SS**  trans102.6144131.4-98.4-176.9-8.500126.1
908E25.2Very low30.8Very low172 Ų172158.5 Ų158.580%0.80479%0.786SS**  trans77108158.2-62.5-157.3144.800124.6
909L37.2Very low31.1Very low164 Ų164162 Ų16286%0.85979%0.791SS**  trans-63.4154.9150.6-87.3157.7000112.2
910P45.3Very low31.1Very low105 Ų105158.4 Ų158.468%0.68279%0.792SS**  -147.3133.1121.530.5-12.2000117.8
911R30.7Very low31.3Very low225 Ų225160.4 Ų160.485%0.84980%0.796SS**  trans53.9116.9134.9-53.8167.1178167.4-1.9120
912K32.5Very low31.4Very low210 Ų210163 Ų16391%0.91380%0.798SS**  -175.6164.5107.8-99.8160.8-174.2174.10115.4
913K31.5Very low31.6Very low194 Ų194163.2 Ų163.284%0.84380%0.797SS**  trans-69.9165.2-176.2-53.8172.3-178.9175.50111.1
914L30.1Very low31.8Very low156 Ų156159.2 Ų159.282%0.81780%0.799SS**  -163.3177.154.4-15863.3000114.3
915K34.3Very low31.9Very low162 Ų162157.8 Ų157.870%0.70480%0.799SS**  trans-70.8172.9-179.1-51.1176.8-177.1178.50112.5
916H29.5Very low31.2Very low166 Ų166159 Ų15977%0.76980%0.799SS**  cis-156-178.839.3-115-72.5000115.1
917I36.1Very low31.4Very low150 Ų150159.4 Ų159.477%0.76979%0.794SS**  trans-120.3146-165.6-62.1159000111.5
918R28.7Very low31.7Very low248 Ų248159.5 Ų159.594%0.93679%0.791SS**  trans-155.7148.8144.6-128.7177.4-175.6-175.20.2113.9
919Q32.7Very low32.1Very low186 Ų186159.2 Ų159.287%0.86979%0.788SS**  trans-90.2163.3174.6-61157.7-61.800111.1
920G27.9Very low31.7Very low82 Ų82157.9 Ų157.985%0.84578%0.781SS**  trans-169.897.6173.500000113.9
921T31.9Very low31Very low126 Ų126160.8 Ų160.877%0.77378%0.783SS**  trans-84.2155.8-169.839.70000116.3
922N29.2Very low31.1Very low136 Ų136156.2 Ų156.273%0.72778%0.775SS**  trans88.2144.2134.8-91.4-34.9000124.4
923K30.1Very low31.1Very low187 Ų187153.5 Ų153.581%0.81377%0.767SS**  trans67.292.8146.1-68.4171.3-179.2-177.50121.5
924G26.6Very low31.2Very low77 Ų77151 Ų15179%0.79476%0.763SS**  86.3167.492.900000122.5
925L30.7Very low31.4Very low155 Ų155150.1 Ų150.181%0.81276%0.764SS**  trans82.893.6155.5-61.1170.3000123
926I33.3Very low31.5Very low122 Ų122146.3 Ų146.363%0.62676%0.763SS**  88.3125.2105.6-111.2179000123.6
927K30Very low31.5Very low153 Ų153144.7 Ų144.767%0.66576%0.764SS**  trans73.4133.7143.1-76.7164.4-166.4163.70124.5
928K33.4Very low31.4Very low173 Ų173143.5 Ų143.575%0.75276%0.763SS**  trans76.5156.6137.7-72.9173.1-179.1178.70117.3
929K31.8Very low31.7Very low166 Ų166138.9 Ų138.972%0.72275%0.754SS**  cis-157.4162.65.1-133.7-178.1179.7-171.90112.2
930L29.6Very low31.7Very low136 Ų136138.1 Ų138.171%0.71275%0.748SS**  trans10.7147.4143.1-63167.2000119.2
931K30.6Very low31.9Very low167 Ų167141 Ų14173%0.72674%0.74SS**  cis179.6178.937.7-140.9177.6175-169.40111.8
932N32.3Very low31.8Very low128 Ų128142.1 Ų142.168%0.68473%0.734SS**  trans72.1151.4152.5-69.31.4000118.7
933M32.3Very low31.8Very low153 Ų153141.9 Ų141.975%0.75474%0.737SS**  cis-155.8175.7-17.4-131.2-170.771.200112.4
934L35.1Very low32.8Very low143 Ų143138.8 Ų138.875%0.74974%0.736SS**  trans-84.8166.9176.6-5293.3000114
935T32.3Very low33Very low137 Ų137145.1 Ų145.184%0.8474%0.742SS**  174.6164.2122.929.50000111.6
936A36.8Very low32.8Very low82 Ų82147.6 Ų147.668%0.67874%0.742SS**  cis-179.3-172.3-36.300000111.4
937V29.8Very low32.5Very low131 Ų131149.5 Ų149.579%0.79475%0.754SS**  trans88.6125.9160.2-166.90000117.9
938V33.5Very low32.3Very low125 Ų125147.2 Ų147.276%0.75876%0.756SS**  cis122.8139.9-15.7-176.10000116.6
939M35.5Very low31.9Very low152 Ų152148.6 Ų148.675%0.74976%0.761SS**  trans93.2150.3168.1-63.7-137.1-73.400119.9
940K32.6Very low31.6Very low169 Ų169145.1 Ų145.174%0.73576%0.758SS**  cis-174.4175.8-24.4-110.7-165.4-168.9171.30112.4
941E31.7Very low31.6Very low143 Ų143144.4 Ų144.467%0.66877%0.765SS**  trans83.7151.3157.5-51-137.7141.800119.1
942K30.2Very low31.4Very low149 Ų149140.2 Ų140.265%0.64877%0.768SS**  cis-168.1155.4-15.9-112.1-178.4-169.8142.10113.6
943T28.9Very low31.1Very low132 Ų132146.2 Ų146.281%0.8178%0.782SS**  trans73.7157.4148.747.50000123.6
944P52.8Low30.9Very low121 Ų121146.2 Ų146.279%0.78678%0.783SS**  trans-129.1-172.3-154.845.5-30.5000117.2
945K29.8Very low30.5Very low211 Ų211144 Ų14492%0.91778%0.78SS**  trans-157.6163.2162.3-115.6165.1-172.9173.90115.7
946Y26.9Very low30.1Very low207 Ų207147.1 Ų147.181%0.81278%0.782SS**  trans-89.3157.1-172.4-87.7-117.6000115.2
947N27.1Very low29.7Very low162 Ų162148.9 Ų148.987%0.86679%0.788SS**  -177.3163.6110.9-99.4-40.4000116
948C24.7Very low30.4Very low105 Ų105148 Ų14871%0.70979%0.785SS**  trans-103.6158-170.7-50.70000114.9
949K26.1Very low30.4Very low201 Ų201147.4 Ų147.487%0.87478%0.777SS**  trans167.5156143.4-93.7158.5-176.5-178.40110.1
950S25.6Very low30.2Very low93 Ų93146.9 Ų146.965%0.6578%0.776SS**  cis178.4138.1-4047.80000109.4
951S29.5Very low30.2Very low122 Ų122146.2 Ų146.285%0.85378%0.776SS**  trans58130.7157.160.40000121.7
952G26.1Very low30.2Very low78 Ų78145.3 Ų145.380%0.80478%0.779SS**  trans175116.3163.800000110.8
953W26Very low30.2Very low254 Ų254145.3 Ų145.396%0.96279%0.786SS**  trans-130.4178.8-169.2-111.89.9000112
954I26.9Very low30.2Very low154 Ų154143.4 Ų143.479%0.7978%0.783SS**  trans85.2112.1177-50.6157.6000112.5
955S26.9Very low29.1Very low97 Ų97142.1 Ų142.168%0.67878%0.783SS**  cis92.4115.520.793.30000117.2
956K25.7Very low29.9Very low202 Ų202137.4 Ų137.488%0.87877%0.774SS**  trans169.9146.2135.3-94.1164.7-177.5-178.50114.8
957C28Very low30.1Very low119 Ų119135.7 Ų135.780%0.80477%0.773SS**  trans-136.8-168.4162.6-650000106.5
958P44.8Very low30.1Very low113 Ų113136 Ų13673%0.73477%0.774SS**  cis-118.2-137.1-11.826.8-0.2000109.8
959D32.5Very low30.3Very low111 Ų111139.4 Ų139.459%0.59478%0.779SS**  cis-165.7-169.72.9-147.9-66.6000110.3Q961D959-Q961 PolarHBondContact OD1-NE2 2.9Å
960I31Very low31.3Very low142 Ų142134.7 Ų134.773%0.72877%0.769SS**  trans75.1104.5160.4-65152.9000115.2
961Q33.1Very low31.5Very low155 Ų155137.1 Ų137.172%0.72477%0.773SS**  75.5145.453.9-54.1173.661.100112.2D959D959-Q961 PolarHBondContact OD1-NE2 2.9Å
962V31.6Very low31.5Very low123 Ų123139.4 Ų139.475%0.74578%0.775SS**  cis-160.8-168.721.973.70000108.6
963L29.6Very low31.5Very low149 Ų149138.7 Ų138.778%0.7877%0.768SS**  cis-161.6153.211.5-115.7-178.3000112.8
964A28.8Very low32.2Very low92 Ų92132 Ų13276%0.7676%0.757SS**  trans55.4160.5140.200000127.9
965A30Very low32.1Very low94 Ų94131.3 Ų131.378%0.77776%0.755SS**  trans-130.8-157.5171.800000108.6
966P47.6Very low32.1Very low113 Ų113131.8 Ų131.873%0.73476%0.758SS**  cis-143.6-178.92.345.1-24.7000118.6
967Q30.9Very low32Very low170 Ų170127.2 Ų127.279%0.79475%0.75SS**  trans24.4138150.6-62177.810.300124.3
968L27.7Very low31.9Very low168 Ų168129.3 Ų129.388%0.8875%0.753SS**  -179.8174.1105.8-95.1170.9000115
969H27.1Very low30.9Very low178 Ų178132.9 Ų132.982%0.82476%0.76SS**  trans-120.2-171.7-173.4-109-64.8000110.1
970P48.9Very low30.5Very low101 Ų101133.5 Ų133.566%0.65677%0.772SS**  cis-135.2-154.6-26.427.3-1.3000112.8
971I29.5Very low30.3Very low144 Ų144133.1 Ų133.174%0.73878%0.78SS**  trans116.8123.2145-66.3165.8000120.6
972L29.5Very low30.4Very low170 Ų170133 Ų13389%0.8978%0.784SS**  trans55.5146.6155-73.6165.8000124
973G24.8Very low30.8Very low63 Ų63132.4 Ų132.465%0.64978%0.782SS**  trans-102.8-157.4157.500000111.4
974P40.4Very low30.7Very low113 Ų113134.5 Ų134.573%0.73479%0.785SS**  cis-140.1-16427.644.2-25000116
975D26.1Very low30.8Very low140 Ų140134.2 Ų134.275%0.74978%0.777SS**  trans66.5110.5149.9-64.3-19.7000124.3
976S25.8Very low30.9Very low107 Ų107136.1 Ų136.175%0.74877%0.77SS**  94.2150.5123.179.50000122.3
977C25.5Very low30Very low106 Ų106138.7 Ų138.772%0.71677%0.77SS**  trans69100.5155.8-68.50000121.8
978L25Very low29.9Very low163 Ų163133.9 Ų133.985%0.85377%0.766SS**  75.2159.9119.3-81.2167.6000122.8
979E24.1Very low30.5Very low188 Ų188132 Ų13288%0.87976%0.764SS**  trans68.6143.8168.9-64.7-164.313600120.6
980C24.7Very low31.5Very low125 Ų125129.1 Ų129.185%0.84576%0.761SS**  trans-110.2142.8178.5-62.90000109.5
981C25.3Very low30.5Very low133 Ų133129.6 Ų129.690%0.89977%0.767SS**  trans-156.1143.1150.1-102.20000112.2
982L36.6Very low30.4Very low154 Ų154129.2 Ų129.281%0.80677%0.771SS**  trans-94.4154.3166.5-71167.2000109.8
983P38.3Very low30.2Very low110 Ų110126.1 Ų126.171%0.71476%0.762SS**  -111.4152.5120.2-1433.3000111.3
984F28.8Very low30.3Very low193 Ų193129.7 Ų129.785%0.84677%0.766SS**  55.3143.158-68.8-79.9000112.4
985S30.4Very low29.8Very low85 Ų85131.1 Ų131.159%0.59477%0.773SS**  cis-163.4167.910.6-129.60000107.4
986E32.5Very low30Very low134 Ų134132.6 Ų132.663%0.62678%0.776SS**  cis-176-170.1-0-140.8178.6115.900111.4
987K28.3Very low30.1Very low167 Ų167133.3 Ų133.373%0.72678%0.781SS**  trans66.7120.5146.8-72.6162175.892.60121.2
988G27.8Very low30.3Very low69 Ų69132 Ų13271%0.71178%0.777SS**  trans-99.4-130.415400000110.8
989P41.2Very low30.4Very low128 Ų128136 Ų13683%0.83178%0.781SS**  cis-132-119.7-4.429-1.2000113.7
990P49.1Very low30.5Very low119 Ų119131.6 Ų131.677%0.77377%0.771SS**  -132.6168.8-121.142.2-23.1000118.5
991S28Very low31.4Very low111 Ų111131.3 Ų131.378%0.77677%0.768SS**  trans-161.7164.5151.566.10000108.3
992V25.5Very low31.5Very low136 Ų136133.7 Ų133.782%0.82477%0.765SS**  cis-130.41762.9-157.40000108.4
993C26.6Very low31.3Very low104 Ų104133.2 Ų133.270%0.70376%0.763SS**  trans-112-179.5173.7-70.30000113.3
994D27.5Very low31Very low138 Ų138141.2 Ų141.274%0.73879%0.787SS**  trans76.4133.4163.5-51.5-41.7000116.6
995T29.8Very low31.1Very low143 Ų143138.7 Ų138.788%0.87778%0.784SS**  cis-130.9159.536.936.10000116.6
996Q28.8Very low31.2Very low172 Ų172141.5 Ų141.580%0.80479%0.794SS**  trans-91.7143.2-178.3-59.1173-300113.6
997S28.2Very low31.1Very low122 Ų122141.9 Ų141.985%0.85380%0.803SS**  trans179151.9133.330.30000110.1
998A29.6Very low31.3Very low77 Ų77140.4 Ų140.464%0.63681%0.808SS**  cis158123.2-32.500000106.4
999W26.7Very low31.5Very low249 Ų249144.9 Ų144.994%0.94381%0.814SS**  trans68.7154.4166.6-61.739000115.3
1000S28Very low30.8Very low94 Ų94146 Ų14666%0.65781%0.813SS**  cis-157.7159.2-22.9-94.30000108.7
1001P43.6Very low29.5Very low120 Ų120147.9 Ų147.978%0.77982%0.816SS**  trans-98.5120-175.234.7-29.7000113.7
1002E27.4Very low29.7Very low182 Ų182150.8 Ų150.885%0.8582%0.819SS**  trans-164.6142.7158.7-120.2166.6-149.900113.9
1003L30.8Very low30Very low144 Ų144152 Ų15275%0.75482%0.818SS**  trans69.7137.5160.9-63168000121.7
1004F33.3Very low30.3Very low279 Ų279156.4 Ų156.4100%1.22483%0.829SS**  trans67.50172-68.8-76.5000118.8

Retrieved 1,004 of 1,004 residues in 1295.1 ms (Link to these results)

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