A0A060D371_MAIZE Loading...

MYB transcription factor

AlphaFold DB (K7U482), UniProt , Accession A0A060D371, Species MAIZE (Zea mays, Maize), Gene MYB28, Length 355 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
1M42.6Very low62.5Low241 Ų241127.6 Ų127.6100%1.18772%0.717SS**  0110.50-70.8-174.1-108.400109.1
2G55.8Low63.8Low78 Ų78121.3 Ų121.380%0.80468%0.68SS**PPolyproline II helixtrans-64.5144.3177.300000111.1S4G2-S4 PolarHBondContact O-N 3.42Å
3R66.4Low65Low180 Ų180122.5 Ų122.568%0.67967%0.673SS**PPolyproline II helixtrans-67.9126175-71.7-174.4-177.9-168.98.7108.6
4S63.9Low66.2Low89 Ų89128.2 Ų128.262%0.62269%0.688SS**PPolyproline II helixtrans-52.7137.3171.4-36.50000110.2G2 C6G2-S4 PolarHBondContact O-N 3.42Å; S4-C6 PolarHBondContact O-N 3.43Å
5P68Low67.7Low112 Ų112122.8 Ų122.873%0.72767%0.674SS**PPolyproline II helixtrans-50.7131.2171.8-24.533.2000109.7C7P5-C7 PolarHBondContact O-N 2.99Å; P5-C7 VanDerWaalsContact O-N 3.12Å
6C62.1Low69.2Low61 Ų61122.4 Ų122.441%0.41268%0.68SS.*SBendtrans-70.3-9-172.9-169.70000113.4S4S4-C6 PolarHBondContact O-N 3.43Å
7C65.5Low70.7Confident51 Ų51117.6 Ų117.635%0.34565%0.649SS.*  trans-143.4104.9-176.1-44.20000107.7P5 K9 L12 C49P5-C7 PolarHBondContact O-N 2.99Å; P5-C7 VanDerWaalsContact O-N 3.12Å; C7-K9 PolarHBondContact O-N 3.29Å; C7-L12 HydrophobicContact CB-CD1 3.99Å; C7-C49 HydrophobicContact CB-CB 4.19Å; C7-C49 WeakPolarHBondContact SG-CB 3.23Å
8E61.9Low72.1Confident171 Ų171114.1 Ų114.180%0.79963%0.631SS**  trans-65.9118.7158.4-78.1168.3-173.400106.2I10 L12E8-I10 PolarHBondContact O-N 3.35Å; E8-I10 VanDerWaalsContact O-N 3.09Å; E8-L12 WeakPolarHBondContact O-CD1 3.24Å
9K63Low73.3Confident199 Ų199112.2 Ų112.287%0.86563%0.625SS**  trans-72.8-0.5-163.3-67.4177.6-179.7177.70114.1C7C7-K9 PolarHBondContact O-N 3.29Å
10I65.2Low74.5Confident163 Ų163112 Ų11284%0.83662%0.619SS**SBendtrans-93.7114.7-170.3-54.8170.3000108.6E8E8-I10 PolarHBondContact O-N 3.35Å; E8-I10 VanDerWaalsContact O-N 3.09Å
11G72.8Confident75.5Confident59 Ų59107.3 Ų107.361%0.60859%0.592SS**SBendtrans86.80.7170.100000117.8K13G11-K13 PolarHBondContact O-N 3.39Å
12L78.1Confident78Confident52 Ų5296.7 Ų96.727%0.27254%0.541SS..  trans-76.4126.6-179.7-61.6-179.2000112.2C7 E8 K14 Q47 C49C7-L12 HydrophobicContact CB-CD1 3.99Å; E8-L12 WeakPolarHBondContact O-CD1 3.24Å; L12-K14 PolarHBondContact O-N 3.44Å; L12-Q47 WeakPolarHBondContact CA-O 3.22Å; L12-C49 HydrophobicContact CD1-CB 4.08Å
13K80.2Confident80Confident136 Ų13699.2 Ų99.259%0.59153%0.531SS*.  trans-67.2125.9175.8-71.5-172.6172.7-179.70110.8G11 Q47 R48G11-K13 PolarHBondContact O-N 3.39Å; K13-Q47 HydrophobicContact CG-CB 4.38Å; K13-Q47 PolarHBondContact N-O 3.45Å; K13-R48 VanDerWaalsContact O-CD 3.28Å; K13-R48 WeakPolarHBondContact O-CD 3.39Å; K13-R48 PolarHBondContact O-NH1 3.48Å
14K81.5Confident81.4Confident203 Ų20395.7 Ų95.788%0.88352%0.521SS*.  trans-105134.4169-63177.1-174.71720107.9L12L12-K14 PolarHBondContact O-N 3.44Å
15G88.4Confident82.9Confident47 Ų4791.5 Ų91.549%0.48549%0.491SS..SBendtrans142.3-177.4-178.300000113.2R48G15-R48 PolarHBondContact O-NH1 2.84Å; G15-R48 PolarHBondContact O-NH2 3.33Å
16P92.3Very high84.2Confident117 Ų11789.2 Ų89.276%0.7647%0.473SS*.SBendtrans-58.1151.8174.727-34.7000110.7R48P16-R48 PolarHBondContact O-NH2 3.14Å
17W94.7Very high85.8Confident40 Ų4088.9 Ų88.915%0.15247%0.474CS..PPolyproline II helixtrans-75.7130.3174.5-80.675.9000109.5E21 D22 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.06Å; W17-D22 VanDerWaalsContact CE3-OD1 3.3Å; W17-L25 HydrophobicContact CH2-CD2 3.74Å; W17-L25 HydrophobicContact CZ3-CB 4.33Å; W17-L25 HydrophobicContact CZ3-CD2 3.8Å; W17-L46 HydrophobicContact CH2-CD2 3.44Å; W17-L46 VanDerWaalsContact CH2-CD2 3.44Å; W17-L46 HydrophobicContact CZ3-CD2 3.53Å; W17-R48 HydrophobicContact CH2-CB 4.3Å; W17-R48 HydrophobicContact CH2-CG 4.06Å; W17-R48 HydrophobicContact CZ2-CB 4.32Å; W17-R48 HydrophobicContact CZ2-CG 4.09Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.31Å; W17-S52 PolarHBondContact NE1-OG 3.12Å; W17-C53 HydrophobicContact CH2-CB 4.32Å; W17-R56 HydrophobicContact CD2-CB 4.03Å; W17-R56 HydrophobicContact CD2-CG 3.55Å; W17-R56 HydrophobicContact CE3-CB 4.46Å; W17-R56 HydrophobicContact CE3-CG 3.82Å; W17-R56 HydrophobicContact CG-CG 3.93Å; W17-R56 HydrophobicContact CH2-CB 4.11Å; W17-R56 HydrophobicContact CH2-CG 4.28Å; W17-R56 HydrophobicContact CZ2-CB 3.65Å; W17-R56 HydrophobicContact CZ2-CG 4.07Å; W17-R56 HydrophobicContact CZ3-CB 4.49Å; W17-R56 HydrophobicContact CZ3-CG 4.16Å
18T95.1Very high87.2Confident54 Ų5487.6 Ų87.633%0.33146%0.463SS..PPolyproline II helixtrans-85.2154.2173.581.90000109.9E20 E21 D22T18-E20 WeakPolarHBondContact CB-OE2 3.31Å; T18-E20 PolarHBondContact O-N 3.06Å; T18-E20 PolarHBondContact OG1-OE2 2.78Å; T18-E21 PolarHBondContact N-OE2 3.44Å; T18-E21 WeakPolarHBondContact O-CB 3.21Å; T18-E21 PolarHBondContact O-N 3.32Å; T18-E21 VanDerWaalsContact O-N 3.1Å; T18-E21 WeakPolarHBondContact OG1-CG 3.42Å; T18-E21 PolarHBondContact OG1-N 3.36Å; T18-D22 PolarHBondContact O-N 3.09Å
19P95.5Very high88.8Confident79 Ų7980 Ų8051%0.51343%0.428SS..Hα-helixtrans-60.7-32.4179.123.8-32.1000112.1E21 D22 E23P19-E21 VanDerWaalsContact C-N 3.33Å; P19-E21 PolarHBondContact O-N 3.34Å; P19-D22 WeakPolarHBondContact O-CB 3.32Å; P19-D22 PolarHBondContact O-N 3.07Å; P19-E23 WeakPolarHBondContact O-CG 3.23Å; P19-E23 PolarHBondContact O-N 3.01Å
20E95.9Very high90.3Very high108 Ų10878.8 Ų78.851%0.50543%0.426SS..Hα-helixtrans-67.4-34.2176.8-5075.3-163.700111.8T18 K24T18-E20 WeakPolarHBondContact CB-OE2 3.31Å; T18-E20 PolarHBondContact O-N 3.06Å; T18-E20 PolarHBondContact OG1-OE2 2.78Å; E20-K24 WeakPolarHBondContact O-CG 3.37Å; E20-K24 PolarHBondContact O-N 3.14Å
21E95.9Very high91.7Very high14 Ų1478.2 Ų78.27%0.06542%0.419CS..Hα-helixtrans-69.1-39.9173.2-71.7-178.7130.200111.6W17 T18 P19 K24 L25 L46 R48W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.06Å; T18-E21 PolarHBondContact N-OE2 3.44Å; T18-E21 WeakPolarHBondContact O-CB 3.21Å; T18-E21 PolarHBondContact O-N 3.32Å; T18-E21 VanDerWaalsContact O-N 3.1Å; T18-E21 WeakPolarHBondContact OG1-CG 3.42Å; T18-E21 PolarHBondContact OG1-N 3.36Å; P19-E21 VanDerWaalsContact C-N 3.33Å; P19-E21 PolarHBondContact O-N 3.34Å; E21-K24 PolarHBondContact O-N 3.19Å; E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.09Å; E21-L46 HydrophobicContact CB-CD1 3.77Å; E21-L46 HydrophobicContact CG-CD1 3.77Å; E21-R48 IonicContact OE1-CZ 3.62Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.49Å; E21-R48 IonicContact OE1-NH2 3.55Å; E21-R48 PolarHBondContact OE1-NH2 2.86Å; E21-R48 IonicContact OE2-CZ 3.91Å; E21-R48 IonicContact OE2-NE 3.9Å; E21-R48 PolarHBondContact OE2-NE 3.46Å; E21-R48 IonicContact OE2-NH2 2.82Å; E21-R48 PolarHBondContact OE2-NH2 3.33Å
22D96.7Very high92.7Very high18 Ų1881 Ų8110%0.09642%0.416CS..Hα-helixtrans-64.4-42.7176.6-74.2-24.5000111.5W17 T18 P19 K24 L25 L26 R56 L61W17-D22 VanDerWaalsContact CE3-OD1 3.3Å; T18-D22 PolarHBondContact O-N 3.09Å; P19-D22 WeakPolarHBondContact O-CB 3.32Å; P19-D22 PolarHBondContact O-N 3.07Å; D22-K24 PolarHBondContact O-N 2.78Å; D22-L25 PolarHBondContact O-N 3.2Å; D22-L26 WeakPolarHBondContact O-CB 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.48Å; D22-L26 PolarHBondContact O-N 3.04Å; D22-R56 WeakPolarHBondContact OD1-CG 3.39Å; D22-R56 IonicContact OD1-CZ 3.53Å; D22-R56 IonicContact OD1-NE 2.85Å; D22-R56 PolarHBondContact OD1-NE 2.84Å; D22-R56 IonicContact OD1-NH2 3.33Å; D22-R56 IonicContact OD2-CZ 3.49Å; D22-R56 IonicContact OD2-NE 3.5Å; D22-R56 PolarHBondContact OD2-NE 3.34Å; D22-R56 IonicContact OD2-NH2 2.7Å; D22-R56 PolarHBondContact OD2-NH2 2.92Å; D22-L61 HydrophobicContact CB-CD1 4.1Å; D22-L61 HydrophobicContact CB-CD2 3.87Å
23E96.4Very high93.4Very high130 Ų13080 Ų8061%0.60742%0.419SS*.Hα-helixtrans-59.3-45.3175.9-76.9174.8-169.100112P19 L25 L26 A27P19-E23 WeakPolarHBondContact O-CG 3.23Å; P19-E23 PolarHBondContact O-N 3.01Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 2.61Å; E23-L26 PolarHBondContact O-N 3.23Å; E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 3.15Å
24K95.7Very high93.8Very high107 Ų10778.1 Ų78.147%0.46541%0.412SS..Hα-helixtrans-60.6-42.6175.3-72.9175.5-178.6-178.80112.1E20 E21 D22 F28 L46E20-K24 WeakPolarHBondContact O-CG 3.37Å; E20-K24 PolarHBondContact O-N 3.14Å; E21-K24 PolarHBondContact O-N 3.19Å; D22-K24 PolarHBondContact O-N 2.78Å; K24-F28 WeakPolarHBondContact O-CB 3.44Å; K24-F28 PolarHBondContact O-N 3.26Å; K24-F28 VanDerWaalsContact O-N 3.12Å; K24-L46 HydrophobicContact CB-CD1 4.46Å; K24-L46 HydrophobicContact CD-CD1 4.33Å
25L95.8Very high94.2Very high0 Ų071.2 Ų71.20%040%0.399CS..Hα-helixtrans-66.4-42.4178.3179.355.9000111.3W17 E21 D22 E23 V29 W37 L40 C53 R56 L61W17-L25 HydrophobicContact CH2-CD2 3.74Å; W17-L25 HydrophobicContact CZ3-CB 4.33Å; W17-L25 HydrophobicContact CZ3-CD2 3.8Å; E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.09Å; D22-L25 PolarHBondContact O-N 3.2Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 2.61Å; L25-V29 HydrophobicContact CD1-CG2 4.08Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.06Å; L25-V29 VanDerWaalsContact O-N 3.13Å; L25-W37 HydrophobicContact CD1-CZ3 4.34Å; L25-L40 HydrophobicContact CD1-CD1 4.23Å; L25-L40 HydrophobicContact CD1-CD2 3.44Å; L25-L40 VanDerWaalsContact CD1-CD2 3.44Å; L25-L40 HydrophobicContact CD1-CG 4.49Å; L25-C53 HydrophobicContact CD1-CB 4.06Å; L25-C53 HydrophobicContact CD2-CB 4.25Å; L25-R56 HydrophobicContact CD2-CB 4.1Å; L25-R56 HydrophobicContact CD2-CG 4.15Å; L25-L61 HydrophobicContact CB-CD1 4.21Å; L25-L61 HydrophobicContact CD2-CD1 3.65Å; L25-L61 HydrophobicContact CG-CD1 4Å
26L95.7Very high94.3Very high64 Ų6472.5 Ų72.534%0.33540%0.4SS..Hα-helixtrans-61-55.1176-81.7160.1000111.5D22 E23 F28 V29 E30 W57 L61D22-L26 WeakPolarHBondContact O-CB 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.48Å; D22-L26 PolarHBondContact O-N 3.04Å; E23-L26 PolarHBondContact O-N 3.23Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 2.88Å; L26-V29 VanDerWaalsContact O-N 3.15Å; L26-E30 WeakPolarHBondContact O-CB 3.48Å; L26-E30 PolarHBondContact O-N 2.86Å; L26-W57 HydrophobicContact CD2-CH2 4.38Å; L26-W57 HydrophobicContact CD2-CZ3 3.77Å; L26-W57 HydrophobicContact CG-CZ3 4.47Å; L26-L61 HydrophobicContact CD1-CD2 4.26Å; L26-L61 HydrophobicContact CD2-CB 4.15Å; L26-L61 HydrophobicContact CG-CB 4.36Å; L26-L61 HydrophobicContact CG-CD1 4.3Å
27A95.4Very high94.4Very high54 Ų5468.8 Ų68.845%0.44637%0.371SS..Hα-helixtrans-56.8-44.6-178.800000111.7E23 V29 E30 E31E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 3.15Å; A27-V29 PolarHBondContact O-N 3.5Å; A27-E30 PolarHBondContact O-N 3.11Å; A27-E31 WeakPolarHBondContact O-CB 3.48Å; A27-E31 PolarHBondContact O-N 3.35Å
28F95.6Very high94.2Very high25 Ų2573.2 Ų73.211%0.1139%0.388CS..Hα-helixtrans-62.7-44.4178.5-174.3-88000112.5K24 L26 H32 L40 K43 A44K24-F28 WeakPolarHBondContact O-CB 3.44Å; K24-F28 PolarHBondContact O-N 3.26Å; K24-F28 VanDerWaalsContact O-N 3.12Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.47Å; F28-H32 AromaticContact CD2-ND1 3.98Å; F28-H32 HydrophobicContact CE1-CB 4.22Å; F28-H32 AromaticContact CE2-ND1 3.9Å; F28-H32 HydrophobicContact CZ-CB 4.18Å; F28-H32 WeakPolarHBondContact O-CB 3.28Å; F28-H32 PolarHBondContact O-N 2.94Å; F28-L40 HydrophobicContact CD1-CD1 3.77Å; F28-L40 HydrophobicContact CD1-CD2 4.24Å; F28-L40 HydrophobicContact CD1-CG 3.56Å; F28-L40 HydrophobicContact CE1-CB 4.32Å; F28-L40 HydrophobicContact CE1-CD1 3.94Å; F28-L40 HydrophobicContact CE1-CG 3.61Å; F28-K43 HydrophobicContact CD2-CB 4.42Å; F28-K43 HydrophobicContact CE2-CB 3.43Å; F28-K43 VanDerWaalsContact CE2-CB 3.43Å; F28-K43 HydrophobicContact CE2-CD 4.45Å; F28-K43 HydrophobicContact CZ-CB 3.59Å; F28-K43 HydrophobicContact CZ-CD 3.97Å; F28-K43 HydrophobicContact CZ-CG 4.45Å; F28-A44 HydrophobicContact CB-CB 3.8Å; F28-A44 HydrophobicContact CD1-CB 4.46Å; F28-A44 HydrophobicContact CD2-CB 3.82Å; F28-A44 HydrophobicContact CG-CB 3.74Å
29V95.5Very high93.9Very high12 Ų1272.6 Ų72.67%0.07339%0.388CS..Hα-helixtrans-72.3-33.1-178.4176.60000111.8L25 L26 A27 G33 H34 L40 W57L25-V29 HydrophobicContact CD1-CG2 4.08Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.06Å; L25-V29 VanDerWaalsContact O-N 3.13Å; L26-V29 PolarHBondContact O-N 2.88Å; L26-V29 VanDerWaalsContact O-N 3.15Å; A27-V29 PolarHBondContact O-N 3.5Å; V29-G33 WeakPolarHBondContact O-CA 3.24Å; V29-G33 PolarHBondContact O-N 3.01Å; V29-H34 HydrophobicContact CG1-CB 4.3Å; V29-H34 HydrophobicContact CG2-CB 4.49Å; V29-L40 HydrophobicContact CG2-CD1 3.89Å; V29-W57 HydrophobicContact CB-CE3 4.13Å; V29-W57 HydrophobicContact CB-CH2 3.8Å; V29-W57 HydrophobicContact CB-CZ2 4.31Å; V29-W57 HydrophobicContact CB-CZ3 3.68Å; V29-W57 HydrophobicContact CG1-CD2 4.19Å; V29-W57 HydrophobicContact CG1-CE3 4.13Å; V29-W57 HydrophobicContact CG1-CH2 3.33Å; V29-W57 HydrophobicContact CG1-CZ2 3.39Å; V29-W57 HydrophobicContact CG1-CZ3 3.7Å; V29-W57 HydrophobicContact CG2-CD2 4.39Å; V29-W57 HydrophobicContact CG2-CE3 4.02Å; V29-W57 HydrophobicContact CG2-CZ3 4.08Å
30E94.1Very high93.7Very high172 Ų17269 Ų6980%0.80436%0.364SS*.Hα-helixtrans-67.5-42.8175-174.2170.9-165.600111.7L26 A27L26-E30 WeakPolarHBondContact O-CB 3.48Å; L26-E30 PolarHBondContact O-N 2.86Å; A27-E30 PolarHBondContact O-N 3.11Å
31E94.6Very high93.5Very high151 Ų15164.1 Ų64.171%0.70634%0.343SS*.Hα-helixtrans-75.4-43-178.5-174-176.7-175.800113A27A27-E31 WeakPolarHBondContact O-CB 3.48Å; A27-E31 PolarHBondContact O-N 3.35Å
32H93.7Very high93.2Very high117 Ų11767.8 Ų67.854%0.54238%0.375SS..Hα-helixtrans-112.8-10-169.8-6385.4000114.2F28F28-H32 AromaticContact CD2-ND1 3.98Å; F28-H32 HydrophobicContact CE1-CB 4.22Å; F28-H32 AromaticContact CE2-ND1 3.9Å; F28-H32 HydrophobicContact CZ-CB 4.18Å; F28-H32 WeakPolarHBondContact O-CB 3.28Å; F28-H32 PolarHBondContact O-N 2.94Å
33G92.8Very high93Very high32 Ų3274.3 Ų74.333%0.3340%0.403SS..  trans71.5171.5-160.500000112.3V29 G35V29-G33 WeakPolarHBondContact O-CA 3.24Å; V29-G33 PolarHBondContact O-N 3.01Å; G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.41Å
34H88.8Confident92.8Very high96 Ų9669 Ų6944%0.44438%0.381SS..SBendtrans-72.2-23.6-178.658.655.4000113.9V29 S36 W37V29-H34 HydrophobicContact CG1-CB 4.3Å; V29-H34 HydrophobicContact CG2-CB 4.49Å; H34-S36 PolarHBondContact O-N 3.36Å; H34-W37 HydrophobicContact CB-CH2 3.65Å; H34-W37 HydrophobicContact CB-CZ2 3.39Å; H34-W37 HydrophobicContact CB-CZ3 4.37Å; H34-W37 AromaticContact CG-CZ2 3.91Å
35G88.9Confident92.6Very high59 Ų5966.1 Ų66.161%0.60838%0.382SS*.  trans40.6-125.6-176.600000113.2G33G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.41Å
36S92.1Very high92.4Very high74 Ų7466.6 Ų66.652%0.51739%0.385SS..  trans-89.9110.5172.3178.30000111.3H34 R38 A39 L40H34-S36 PolarHBondContact O-N 3.36Å; S36-R38 PolarHBondContact O-N 3.37Å; S36-A39 PolarHBondContact O-N 2.69Å; S36-L40 PolarHBondContact O-N 3.33Å; S36-L40 VanDerWaalsContact O-N 3.11Å
37W93.4Very high92.2Very high38 Ų3868.8 Ų68.814%0.14439%0.393CS..THydrogen-bonded Turntrans-52.1-27.9175-69.4107.2000114.3L25 H34 L40 P41 G50 C53 R54 W57L25-W37 HydrophobicContact CD1-CZ3 4.34Å; H34-W37 HydrophobicContact CB-CH2 3.65Å; H34-W37 HydrophobicContact CB-CZ2 3.39Å; H34-W37 HydrophobicContact CB-CZ3 4.37Å; H34-W37 AromaticContact CG-CZ2 3.91Å; W37-L40 HydrophobicContact CE3-CD1 3.81Å; W37-L40 HydrophobicContact CH2-CD1 4.47Å; W37-L40 HydrophobicContact CZ3-CD1 3.66Å; W37-P41 VanDerWaalsContact O-CD 3.3Å; W37-P41 WeakPolarHBondContact O-CD 3.43Å; W37-G50 WeakPolarHBondContact O-CA 3.2Å; W37-C53 HydrophobicContact CE3-CB 4.14Å; W37-C53 HydrophobicContact CZ3-CB 4.26Å; W37-R54 HydrophobicContact CB-CB 4.21Å; W37-R54 HydrophobicContact CD2-CB 3.46Å; W37-R54 VanDerWaalsContact CD2-CB 3.46Å; W37-R54 HydrophobicContact CD2-CG 3.8Å; W37-R54 VanDerWaalsContact CE3-CA 3.43Å; W37-R54 HydrophobicContact CE3-CB 3.77Å; W37-R54 HydrophobicContact CE3-CG 4.48Å; W37-R54 HydrophobicContact CG-CB 3.66Å; W37-R54 HydrophobicContact CG-CG 3.92Å; W37-R54 HydrophobicContact CZ2-CB 4.49Å; W37-R54 HydrophobicContact CZ2-CG 4.25Å; W37-R54 HydrophobicContact CZ3-CB 4.42Å; W37-W57 HydrophobicContact CH2-CB 3.37Å; W37-W57 AromaticContact CH2-CD1 3.55Å; W37-W57 HydrophobicContact CH2-CD2 4.2Å; W37-W57 AromaticContact CH2-CG 3.4Å; W37-W57 HydrophobicContact CH2-CG 3.4Å; W37-W57 HydrophobicContact CZ2-CB 4.18Å; W37-W57 AromaticContact CZ2-CD1 3.71Å; W37-W57 HydrophobicContact CZ2-CG 4.04Å; W37-W57 HydrophobicContact CZ3-CB 3.95Å; W37-W57 HydrophobicContact CZ3-CG 4.36Å
38R90Very high92.1Very high133 Ų13366.9 Ų66.950%0.50237%0.374SS..THydrogen-bonded Turntrans-69.7-37.9178.9-70179.2172-166.1-10.5112.9S36S36-R38 PolarHBondContact O-N 3.37Å
39A89.2Confident91.9Very high41 Ų4167 Ų6734%0.33938%0.378SS..THydrogen-bonded Turntrans-89.8-18.7-178.300000112.5S36 A42 K43S36-A39 PolarHBondContact O-N 2.69Å; A39-A42 PolarHBondContact O-N 2.92Å; A39-K43 WeakPolarHBondContact O-CG 3.47Å; A39-K43 PolarHBondContact O-N 3.15Å
40L92.7Very high91.7Very high3 Ų366.6 Ų66.62%0.01638%0.376CS..Hα-helixtrans-53.6-49.5-177-174154.1000113.7L25 F28 V29 S36 W37 A42 K43 A44 C53L25-L40 HydrophobicContact CD1-CD1 4.23Å; L25-L40 HydrophobicContact CD1-CD2 3.44Å; L25-L40 VanDerWaalsContact CD1-CD2 3.44Å; L25-L40 HydrophobicContact CD1-CG 4.49Å; F28-L40 HydrophobicContact CD1-CD1 3.77Å; F28-L40 HydrophobicContact CD1-CD2 4.24Å; F28-L40 HydrophobicContact CD1-CG 3.56Å; F28-L40 HydrophobicContact CE1-CB 4.32Å; F28-L40 HydrophobicContact CE1-CD1 3.94Å; F28-L40 HydrophobicContact CE1-CG 3.61Å; V29-L40 HydrophobicContact CG2-CD1 3.89Å; S36-L40 PolarHBondContact O-N 3.33Å; S36-L40 VanDerWaalsContact O-N 3.11Å; W37-L40 HydrophobicContact CE3-CD1 3.81Å; W37-L40 HydrophobicContact CH2-CD1 4.47Å; W37-L40 HydrophobicContact CZ3-CD1 3.66Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.23Å; L40-K43 PolarHBondContact O-N 3.09Å; L40-K43 VanDerWaalsContact O-N 3.14Å; L40-A44 HydrophobicContact CD2-CB 4.21Å; L40-A44 WeakPolarHBondContact O-CB 3.45Å; L40-A44 PolarHBondContact O-N 2.94Å; L40-C53 HydrophobicContact CD2-CB 4.13Å
41P91.7Very high91.6Very high7 Ų765.7 Ų65.75%0.04537%0.37CS..Hα-helixtrans-62.5-40.8-173.8-15.123.6000113.2W37 K43 A44 G45 L46 R48W37-P41 VanDerWaalsContact O-CD 3.3Å; W37-P41 WeakPolarHBondContact O-CD 3.43Å; P41-K43 VanDerWaalsContact C-N 3.32Å; P41-K43 PolarHBondContact O-N 3.05Å; P41-A44 PolarHBondContact O-N 3.21Å; P41-G45 PolarHBondContact O-N 3.18Å; P41-L46 HydrophobicContact CB-CB 4.46Å; P41-L46 PolarHBondContact O-N 3.26Å; P41-R48 WeakPolarHBondContact CB-O 3.28Å; P41-R48 VanDerWaalsContact CG-O 3.29Å; P41-R48 WeakPolarHBondContact CG-O 3.44Å
42A89.5Confident91.5Very high91 Ų9159.9 Ų59.975%0.75235%0.346SS*.Hα-helixtrans-63.6-38.6177.800000111.8A39 L40A39-A42 PolarHBondContact O-N 2.92Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.23Å
43K91.2Very high91.6Very high154 Ų15454.3 Ų54.367%0.6732%0.32SS*.Hα-helixtrans-75.6-35.4178.9-65.6-177175.7-1670113.1F28 A39 L40 P41 G45F28-K43 HydrophobicContact CD2-CB 4.42Å; F28-K43 HydrophobicContact CE2-CB 3.43Å; F28-K43 VanDerWaalsContact CE2-CB 3.43Å; F28-K43 HydrophobicContact CE2-CD 4.45Å; F28-K43 HydrophobicContact CZ-CB 3.59Å; F28-K43 HydrophobicContact CZ-CD 3.97Å; F28-K43 HydrophobicContact CZ-CG 4.45Å; A39-K43 WeakPolarHBondContact O-CG 3.47Å; A39-K43 PolarHBondContact O-N 3.15Å; L40-K43 PolarHBondContact O-N 3.09Å; L40-K43 VanDerWaalsContact O-N 3.14Å; P41-K43 VanDerWaalsContact C-N 3.32Å; P41-K43 PolarHBondContact O-N 3.05Å; K43-G45 PolarHBondContact O-N 2.87Å
44A92.4Very high91.7Very high18 Ų1859.7 Ų59.715%0.14933%0.331CS..THydrogen-bonded Turntrans-79.7-2.6178.400000113.5F28 L40 P41 L46F28-A44 HydrophobicContact CB-CB 3.8Å; F28-A44 HydrophobicContact CD1-CB 4.46Å; F28-A44 HydrophobicContact CD2-CB 3.82Å; F28-A44 HydrophobicContact CG-CB 3.74Å; L40-A44 HydrophobicContact CD2-CB 4.21Å; L40-A44 WeakPolarHBondContact O-CB 3.45Å; L40-A44 PolarHBondContact O-N 2.94Å; P41-A44 PolarHBondContact O-N 3.21Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CB 4.44Å; A44-L46 PolarHBondContact O-N 3.07Å
45G91.5Very high92Very high48 Ų4859.9 Ų59.950%0.49533%0.334SS..THydrogen-bonded Turntrans65.833.3-175.200000113.1P41 K43P41-G45 PolarHBondContact O-N 3.18Å; K43-G45 PolarHBondContact O-N 2.87Å
46L92.3Very high92.4Very high10 Ų1059.4 Ų59.45%0.05231%0.314CS..  trans-107.9127.7-175.2-162.972.6000111.5W17 E21 K24 P41 A44 R48W17-L46 HydrophobicContact CH2-CD2 3.44Å; W17-L46 VanDerWaalsContact CH2-CD2 3.44Å; W17-L46 HydrophobicContact CZ3-CD2 3.53Å; E21-L46 HydrophobicContact CB-CD1 3.77Å; E21-L46 HydrophobicContact CG-CD1 3.77Å; K24-L46 HydrophobicContact CB-CD1 4.46Å; K24-L46 HydrophobicContact CD-CD1 4.33Å; P41-L46 HydrophobicContact CB-CB 4.46Å; P41-L46 PolarHBondContact O-N 3.26Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CB 4.44Å; A44-L46 PolarHBondContact O-N 3.07Å; L46-R48 HydrophobicContact CD2-CB 3.88Å; L46-R48 HydrophobicContact CD2-CG 3.87Å; L46-R48 HydrophobicContact CG-CB 4.08Å; L46-R48 HydrophobicContact CG-CG 3.9Å; L46-R48 PolarHBondContact O-N 3.1Å
47Q91.7Very high92.6Very high109 Ų10957.4 Ų57.451%0.50930%0.295SS..SBendtrans-82.945.2179.4-61.4-61.8-20.900112.2L12 K13L12-Q47 WeakPolarHBondContact CA-O 3.22Å; K13-Q47 HydrophobicContact CG-CB 4.38Å; K13-Q47 PolarHBondContact N-O 3.45Å
48R92Very high92.6Very high14 Ų1457.8 Ų57.85%0.05330%0.302CS..SBendtrans-126.9158.7179.6-63-64-173.6140.36.4109.9K13 G15 P16 W17 E21 P41 L46K13-R48 VanDerWaalsContact O-CD 3.28Å; K13-R48 WeakPolarHBondContact O-CD 3.39Å; K13-R48 PolarHBondContact O-NH1 3.48Å; G15-R48 PolarHBondContact O-NH1 2.84Å; G15-R48 PolarHBondContact O-NH2 3.33Å; P16-R48 PolarHBondContact O-NH2 3.14Å; W17-R48 HydrophobicContact CH2-CB 4.3Å; W17-R48 HydrophobicContact CH2-CG 4.06Å; W17-R48 HydrophobicContact CZ2-CB 4.32Å; W17-R48 HydrophobicContact CZ2-CG 4.09Å; E21-R48 IonicContact OE1-CZ 3.62Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.49Å; E21-R48 IonicContact OE1-NH2 3.55Å; E21-R48 PolarHBondContact OE1-NH2 2.86Å; E21-R48 IonicContact OE2-CZ 3.91Å; E21-R48 IonicContact OE2-NE 3.9Å; E21-R48 PolarHBondContact OE2-NE 3.46Å; E21-R48 IonicContact OE2-NH2 2.82Å; E21-R48 PolarHBondContact OE2-NH2 3.33Å; P41-R48 WeakPolarHBondContact CB-O 3.28Å; P41-R48 VanDerWaalsContact CG-O 3.29Å; P41-R48 WeakPolarHBondContact CG-O 3.44Å; L46-R48 HydrophobicContact CD2-CB 3.88Å; L46-R48 HydrophobicContact CD2-CG 3.87Å; L46-R48 HydrophobicContact CG-CB 4.08Å; L46-R48 HydrophobicContact CG-CG 3.9Å; L46-R48 PolarHBondContact O-N 3.1Å
49C91.4Very high92.9Very high27 Ų2752.3 Ų52.318%0.18228%0.282CS..  trans-82.4155.5174.172.20000111.7C7 L12 K51 S52 C53C7-C49 HydrophobicContact CB-CB 4.19Å; C7-C49 WeakPolarHBondContact SG-CB 3.23Å; L12-C49 HydrophobicContact CD1-CB 4.08Å; C49-K51 PolarHBondContact O-N 3.26Å; C49-K51 VanDerWaalsContact O-N 3.16Å; C49-S52 WeakPolarHBondContact O-CA 3.4Å; C49-S52 VanDerWaalsContact O-CB 3.32Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 3.15Å; C49-S52 PolarHBondContact SG-N 3.23Å; C49-C53 PolarHBondContact O-N 2.94Å; C49-C53 VanDerWaalsContact O-N 3.11Å; C49-C53 PolarHBondContact O-SG 2.87Å
50G92.2Very high93.1Very high4 Ų455.8 Ų55.84%0.04129%0.288CS..Hα-helixtrans-58.6-32.6-178.700000114.8W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.2Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-C53 PolarHBondContact O-N 2.93Å; G50-R54 PolarHBondContact O-N 2.82Å
51K90.9Very high93.3Very high153 Ų15356.4 Ų56.467%0.66529%0.291SS*.Hα-helixtrans-63.2-41.6173.9-176.3-179.5178.4-176.10111.3C49 L55C49-K51 PolarHBondContact O-N 3.26Å; C49-K51 VanDerWaalsContact O-N 3.16Å; K51-L55 WeakPolarHBondContact O-CB 3.29Å; K51-L55 PolarHBondContact O-N 3.3Å; K51-L55 VanDerWaalsContact O-N 3.09Å
52S93.5Very high93.4Very high30 Ų3060.2 Ų60.221%0.2130%0.304CS..Hα-helixtrans-65.3-47.2178.4-167.80000110.6W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.31Å; W17-S52 PolarHBondContact NE1-OG 3.12Å; C49-S52 WeakPolarHBondContact O-CA 3.4Å; C49-S52 VanDerWaalsContact O-CB 3.32Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 3.15Å; C49-S52 PolarHBondContact SG-N 3.23Å; G50-S52 VanDerWaalsContact C-N 3.34Å; S52-R54 PolarHBondContact O-N 3.14Å; S52-L55 PolarHBondContact O-N 3.4Å; S52-R56 WeakPolarHBondContact O-CB 3.44Å; S52-R56 PolarHBondContact O-N 3.36Å
53C95Very high93.5Very high0 Ų061.5 Ų61.50%031%0.305CS..Hα-helixtrans-59.7-45.1177.9-55.30000112.1W17 L25 W37 L40 C49 G50 L55 R56 W57W17-C53 HydrophobicContact CH2-CB 4.32Å; L25-C53 HydrophobicContact CD1-CB 4.06Å; L25-C53 HydrophobicContact CD2-CB 4.25Å; W37-C53 HydrophobicContact CE3-CB 4.14Å; W37-C53 HydrophobicContact CZ3-CB 4.26Å; L40-C53 HydrophobicContact CD2-CB 4.13Å; C49-C53 PolarHBondContact O-N 2.94Å; C49-C53 VanDerWaalsContact O-N 3.11Å; C49-C53 PolarHBondContact O-SG 2.87Å; G50-C53 PolarHBondContact O-N 2.93Å; C53-L55 PolarHBondContact O-N 3.2Å; C53-R56 PolarHBondContact O-N 2.91Å; C53-W57 WeakPolarHBondContact O-CB 3.34Å; C53-W57 PolarHBondContact O-N 3.15Å
54R95.8Very high93.5Very high145 Ų14557 Ų5755%0.54729%0.288SS..Hα-helixtrans-57.4-50.4176.3-177176.6178.7-165.8-1.9111.4W37 G50 S52 R56 W57 T58W37-R54 HydrophobicContact CB-CB 4.21Å; W37-R54 HydrophobicContact CD2-CB 3.46Å; W37-R54 VanDerWaalsContact CD2-CB 3.46Å; W37-R54 HydrophobicContact CD2-CG 3.8Å; W37-R54 VanDerWaalsContact CE3-CA 3.43Å; W37-R54 HydrophobicContact CE3-CB 3.77Å; W37-R54 HydrophobicContact CE3-CG 4.48Å; W37-R54 HydrophobicContact CG-CB 3.66Å; W37-R54 HydrophobicContact CG-CG 3.92Å; W37-R54 HydrophobicContact CZ2-CB 4.49Å; W37-R54 HydrophobicContact CZ2-CG 4.25Å; W37-R54 HydrophobicContact CZ3-CB 4.42Å; G50-R54 PolarHBondContact O-N 2.82Å; S52-R54 PolarHBondContact O-N 3.14Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.98Å; R54-W57 PolarHBondContact O-N 2.86Å; R54-T58 HydrophobicContact CG-CG2 4.25Å; R54-T58 WeakPolarHBondContact O-CG2 3.47Å; R54-T58 PolarHBondContact O-N 2.86Å; R54-T58 PolarHBondContact O-OG1 3.23Å; R54-T58 VanDerWaalsContact O-OG1 3.12Å
55L94.8Very high93.6Very high99 Ų9956.9 Ų56.952%0.51829%0.285SS..Hα-helixtrans-61.9-42.3-178.2-175.668.9000111.3K51 S52 C53 T58 N59K51-L55 WeakPolarHBondContact O-CB 3.29Å; K51-L55 PolarHBondContact O-N 3.3Å; K51-L55 VanDerWaalsContact O-N 3.09Å; S52-L55 PolarHBondContact O-N 3.4Å; C53-L55 PolarHBondContact O-N 3.2Å; L55-T58 PolarHBondContact O-OG1 3.41Å; L55-N59 VanDerWaalsContact CD1-ND2 3.28Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.26Å; L55-N59 WeakPolarHBondContact O-CB 3.45Å; L55-N59 PolarHBondContact O-N 3.1Å
56R96.4Very high93.6Very high50 Ų5059.4 Ų59.419%0.18928%0.282CS..Hα-helixtrans-62.3-46.3177.6-174.761.8173.9174.8-4.4111.2W17 D22 L25 S52 C53 R54 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.03Å; W17-R56 HydrophobicContact CD2-CG 3.55Å; W17-R56 HydrophobicContact CE3-CB 4.46Å; W17-R56 HydrophobicContact CE3-CG 3.82Å; W17-R56 HydrophobicContact CG-CG 3.93Å; W17-R56 HydrophobicContact CH2-CB 4.11Å; W17-R56 HydrophobicContact CH2-CG 4.28Å; W17-R56 HydrophobicContact CZ2-CB 3.65Å; W17-R56 HydrophobicContact CZ2-CG 4.07Å; W17-R56 HydrophobicContact CZ3-CB 4.49Å; W17-R56 HydrophobicContact CZ3-CG 4.16Å; D22-R56 WeakPolarHBondContact OD1-CG 3.39Å; D22-R56 IonicContact OD1-CZ 3.53Å; D22-R56 IonicContact OD1-NE 2.85Å; D22-R56 PolarHBondContact OD1-NE 2.84Å; D22-R56 IonicContact OD1-NH2 3.33Å; D22-R56 IonicContact OD2-CZ 3.49Å; D22-R56 IonicContact OD2-NE 3.5Å; D22-R56 PolarHBondContact OD2-NE 3.34Å; D22-R56 IonicContact OD2-NH2 2.7Å; D22-R56 PolarHBondContact OD2-NH2 2.92Å; L25-R56 HydrophobicContact CD2-CB 4.1Å; L25-R56 HydrophobicContact CD2-CG 4.15Å; S52-R56 WeakPolarHBondContact O-CB 3.44Å; S52-R56 PolarHBondContact O-N 3.36Å; C53-R56 PolarHBondContact O-N 2.91Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.98Å; R56-Y60 WeakPolarHBondContact O-CB 3.31Å; R56-Y60 PolarHBondContact O-N 3.38Å; R56-L61 HydrophobicContact CG-CD1 3.79Å; R56-L61 HydrophobicContact CG-CG 4.07Å; R56-L61 PolarHBondContact O-N 3.25Å
57W96.2Very high93.6Very high32 Ų3268.5 Ų68.512%0.12132%0.316CS..Iπ-helixtrans-59.9-56.8177.4179.9-98.8000112.4L26 V29 W37 C53 R54 N59 L61 R62L26-W57 HydrophobicContact CD2-CH2 4.38Å; L26-W57 HydrophobicContact CD2-CZ3 3.77Å; L26-W57 HydrophobicContact CG-CZ3 4.47Å; V29-W57 HydrophobicContact CB-CE3 4.13Å; V29-W57 HydrophobicContact CB-CH2 3.8Å; V29-W57 HydrophobicContact CB-CZ2 4.31Å; V29-W57 HydrophobicContact CB-CZ3 3.68Å; V29-W57 HydrophobicContact CG1-CD2 4.19Å; V29-W57 HydrophobicContact CG1-CE3 4.13Å; V29-W57 HydrophobicContact CG1-CH2 3.33Å; V29-W57 HydrophobicContact CG1-CZ2 3.39Å; V29-W57 HydrophobicContact CG1-CZ3 3.7Å; V29-W57 HydrophobicContact CG2-CD2 4.39Å; V29-W57 HydrophobicContact CG2-CE3 4.02Å; V29-W57 HydrophobicContact CG2-CZ3 4.08Å; W37-W57 HydrophobicContact CH2-CB 3.37Å; W37-W57 AromaticContact CH2-CD1 3.55Å; W37-W57 HydrophobicContact CH2-CD2 4.2Å; W37-W57 AromaticContact CH2-CG 3.4Å; W37-W57 HydrophobicContact CH2-CG 3.4Å; W37-W57 HydrophobicContact CZ2-CB 4.18Å; W37-W57 AromaticContact CZ2-CD1 3.71Å; W37-W57 HydrophobicContact CZ2-CG 4.04Å; W37-W57 HydrophobicContact CZ3-CB 3.95Å; W37-W57 HydrophobicContact CZ3-CG 4.36Å; C53-W57 WeakPolarHBondContact O-CB 3.34Å; C53-W57 PolarHBondContact O-N 3.15Å; R54-W57 PolarHBondContact O-N 2.86Å; W57-N59 PolarHBondContact O-N 3.45Å; W57-L61 HydrophobicContact CE3-CB 3.93Å; W57-L61 HydrophobicContact CZ3-CB 4.34Å; W57-L61 PolarHBondContact O-N 3.37Å; W57-R62 HydrophobicContact CZ2-CG 4.43Å; W57-R62 WeakPolarHBondContact O-CB 3.45Å; W57-R62 PolarHBondContact O-N 3.12Å
58T94.9Very high93.6Very high46 Ų4666 Ų6628%0.28232%0.319SS..Iπ-helixtrans-66.8-24.8-171.957.50000113.8R54 L55 I65R54-T58 HydrophobicContact CG-CG2 4.25Å; R54-T58 WeakPolarHBondContact O-CG2 3.47Å; R54-T58 PolarHBondContact O-N 2.86Å; R54-T58 PolarHBondContact O-OG1 3.23Å; R54-T58 VanDerWaalsContact O-OG1 3.12Å; L55-T58 PolarHBondContact O-OG1 3.41Å; T58-I65 WeakPolarHBondContact O-CD1 3.44Å
59N95.3Very high93.7Very high18 Ų1874.8 Ų74.810%0.09636%0.358CS..Iπ-helixtrans-104.8-23.3-174.2-65.40.7000114.2L55 W57 I65L55-N59 VanDerWaalsContact CD1-ND2 3.28Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.26Å; L55-N59 WeakPolarHBondContact O-CB 3.45Å; L55-N59 PolarHBondContact O-N 3.1Å; W57-N59 PolarHBondContact O-N 3.45Å; N59-I65 VanDerWaalsContact C-CD1 3.47Å
60Y94.8Very high93.8Very high114 Ų11475 Ų7545%0.44736%0.356SS..Iπ-helixtrans-133.3-40.4-170.4-61.1-80.1000114.8R56 R67R56-Y60 WeakPolarHBondContact O-CB 3.31Å; R56-Y60 PolarHBondContact O-N 3.38Å; Y60-R67 PolarHBondContact O-NH2 2.79Å
61L95.1Very high93.9Very high16 Ų1677.3 Ų77.38%0.08437%0.371CS..Iπ-helixtrans-96.3-20.8-170-56.7179.6000114.2D22 L25 L26 R56 W57D22-L61 HydrophobicContact CB-CD1 4.1Å; D22-L61 HydrophobicContact CB-CD2 3.87Å; L25-L61 HydrophobicContact CB-CD1 4.21Å; L25-L61 HydrophobicContact CD2-CD1 3.65Å; L25-L61 HydrophobicContact CG-CD1 4Å; L26-L61 HydrophobicContact CD1-CD2 4.26Å; L26-L61 HydrophobicContact CD2-CB 4.15Å; L26-L61 HydrophobicContact CG-CB 4.36Å; L26-L61 HydrophobicContact CG-CD1 4.3Å; R56-L61 HydrophobicContact CG-CD1 3.79Å; R56-L61 HydrophobicContact CG-CG 4.07Å; R56-L61 PolarHBondContact O-N 3.25Å; W57-L61 HydrophobicContact CE3-CB 3.93Å; W57-L61 HydrophobicContact CZ3-CB 4.34Å; W57-L61 PolarHBondContact O-N 3.37Å
62R93.5Very high94Very high86 Ų8673.8 Ų73.833%0.32536%0.359SS..  trans-59.8130.3-179.2-162.2178.659.7150.314.1109.9W57 D64 I65W57-R62 HydrophobicContact CZ2-CG 4.43Å; W57-R62 WeakPolarHBondContact O-CB 3.45Å; W57-R62 PolarHBondContact O-N 3.12Å; R62-D64 VanDerWaalsContact CD-OD1 3.26Å; R62-D64 WeakPolarHBondContact CD-OD1 3.46Å; R62-D64 WeakPolarHBondContact CG-OD1 3.49Å; R62-D64 IonicContact CZ-OD1 3.08Å; R62-D64 IonicContact CZ-OD2 3.52Å; R62-D64 IonicContact NE-OD1 2.6Å; R62-D64 PolarHBondContact NE-OD1 2.81Å; R62-D64 IonicContact NE-OD2 3.62Å; R62-D64 PolarHBondContact NE-OD2 3.47Å; R62-D64 IonicContact NH1-OD2 2.78Å; R62-D64 PolarHBondContact NH1-OD2 3.02Å; R62-D64 VanDerWaalsContact NH2-CG 3.33Å; R62-D64 IonicContact NH2-OD1 3.09Å; R62-D64 PolarHBondContact NH2-OD1 2.86Å; R62-D64 VanDerWaalsContact NH2-OD1 3.09Å; R62-D64 IonicContact NH2-OD2 3.46Å; R62-D64 PolarHBondContact NH2-OD2 3.29Å; R62-D64 PolarHBondContact O-N 2.99Å; R62-I65 HydrophobicContact CB-CD1 3.73Å; R62-I65 HydrophobicContact CB-CG1 4.01Å; R62-I65 WeakPolarHBondContact O-CG1 3.3Å; R62-I65 PolarHBondContact O-N 2.88Å
63P91.9Very high94Very high119 Ų11979.1 Ų79.177%0.77338%0.381SS*.THydrogen-bonded Turntrans-69.4-18.2-17025.8-35.8000114.2I65P63-I65 VanDerWaalsContact C-N 3.29Å; P63-I65 PolarHBondContact O-N 3.17Å
64D91.9Very high94Very high59 Ų5980.3 Ų80.332%0.31639%0.386SS..THydrogen-bonded Turntrans-81.9-2.9178.865.6-3.5000113.3R62 K66 N98R62-D64 VanDerWaalsContact CD-OD1 3.26Å; R62-D64 WeakPolarHBondContact CD-OD1 3.46Å; R62-D64 WeakPolarHBondContact CG-OD1 3.49Å; R62-D64 IonicContact CZ-OD1 3.08Å; R62-D64 IonicContact CZ-OD2 3.52Å; R62-D64 IonicContact NE-OD1 2.6Å; R62-D64 PolarHBondContact NE-OD1 2.81Å; R62-D64 IonicContact NE-OD2 3.62Å; R62-D64 PolarHBondContact NE-OD2 3.47Å; R62-D64 IonicContact NH1-OD2 2.78Å; R62-D64 PolarHBondContact NH1-OD2 3.02Å; R62-D64 VanDerWaalsContact NH2-CG 3.33Å; R62-D64 IonicContact NH2-OD1 3.09Å; R62-D64 PolarHBondContact NH2-OD1 2.86Å; R62-D64 VanDerWaalsContact NH2-OD1 3.09Å; R62-D64 IonicContact NH2-OD2 3.46Å; R62-D64 PolarHBondContact NH2-OD2 3.29Å; R62-D64 PolarHBondContact O-N 2.99Å; D64-K66 PolarHBondContact O-N 3.32Å; D64-N98 WeakPolarHBondContact O-CA 3.38Å; D64-N98 WeakPolarHBondContact O-CB 3.33Å; D64-N98 PolarHBondContact O-OD1 2.98Å
65I93.8Very high93.9Very high15 Ų1573.9 Ų73.98%0.07736%0.363CS..  trans-80.2120.4-177.8-59.5170.8000109.6T58 N59 R62 P63 R67 T100T58-I65 WeakPolarHBondContact O-CD1 3.44Å; N59-I65 VanDerWaalsContact C-CD1 3.47Å; R62-I65 HydrophobicContact CB-CD1 3.73Å; R62-I65 HydrophobicContact CB-CG1 4.01Å; R62-I65 WeakPolarHBondContact O-CG1 3.3Å; R62-I65 PolarHBondContact O-N 2.88Å; P63-I65 VanDerWaalsContact C-N 3.29Å; P63-I65 PolarHBondContact O-N 3.17Å; I65-R67 PolarHBondContact O-N 3.29Å; I65-T100 HydrophobicContact CD1-CG2 3.85Å; I65-T100 HydrophobicContact CG1-CG2 3.93Å; I65-T100 HydrophobicContact CG2-CG2 4.11Å
66K92.6Very high93.8Very high101 Ų10171.3 Ų71.344%0.43935%0.348SS..  trans-76.9111.2176-84.1176.1-174.7171.10110.8D64 N98 R99D64-K66 PolarHBondContact O-N 3.32Å; K66-N98 HydrophobicContact CB-CB 4.1Å; K66-N98 HydrophobicContact CD-CB 3.73Å; K66-N98 WeakPolarHBondContact CE-ND2 3.29Å; K66-N98 HydrophobicContact CG-CB 3.6Å; K66-N98 PolarHBondContact N-O 2.9Å; K66-R99 PolarHBondContact O-NH1 3.32Å; K66-R99 VanDerWaalsContact O-NH1 3.08Å
67R91.9Very high93.7Very high202 Ų20270.5 Ų70.576%0.76235%0.349SS*.  trans-83.3123.8173.8-61.7166.5-178-170.7-2.6109.6Y60 I65Y60-R67 PolarHBondContact O-NH2 2.79Å; I65-R67 PolarHBondContact O-N 3.29Å
68G91.8Very high93.6Very high56 Ų5669 Ų6958%0.57734%0.343SS*.SBendtrans143.4-177.417600000114R99G68-R99 PolarHBondContact O-NH1 3.32Å
69K93.2Very high93.5Very high199 Ų19966.9 Ų66.987%0.86533%0.33SS*.PPolyproline II helixtrans-63.2151.1179.6-62.2-178.4-179.4-179.50111.2R99K69-R99 PolarHBondContact O-NH2 2.97Å
70F94.6Very high93.3Very high31 Ų3169 Ų6914%0.13634%0.339CS..PPolyproline II helixtrans-70.5138170-76.8-94.4000110.3E74 E75 I78 R99 E103 I104 H107F70-E74 WeakPolarHBondContact CA-OE2 3.42Å; F70-E74 HydrophobicContact CD1-CB 3.97Å; F70-E75 HydrophobicContact CB-CG 3.86Å; F70-I78 HydrophobicContact CD1-CD1 3.77Å; F70-I78 HydrophobicContact CE1-CD1 3.67Å; F70-I78 HydrophobicContact CZ-CD1 4.48Å; F70-R99 HydrophobicContact CE1-CG 4.06Å; F70-E103 HydrophobicContact CE2-CB 4.43Å; F70-E103 HydrophobicContact CZ-CB 3.98Å; F70-I104 HydrophobicContact CE1-CG1 4.29Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; F70-H107 HydrophobicContact CD2-CB 3.84Å; F70-H107 AromaticContact CD2-CD2 3.74Å; F70-H107 AromaticContact CD2-CE1 3.81Å; F70-H107 AromaticContact CD2-CG 3.39Å; F70-H107 AromaticContact CD2-ND1 3.45Å; F70-H107 WeakPolarHBondContact CD2-ND1 3.43Å; F70-H107 AromaticContact CD2-NE2 3.98Å; F70-H107 HydrophobicContact CE2-CB 3.5Å; F70-H107 VanDerWaalsContact CE2-CB 3.5Å; F70-H107 AromaticContact CE2-CG 3.63Å; F70-H107 AromaticContact CE2-ND1 3.98Å; F70-H107 AromaticContact CG-CD2 3.82Å; F70-H107 AromaticContact CG-CG 3.96Å; F70-H107 AromaticContact CG-NE2 3.95Å; F70-H107 HydrophobicContact CZ-CB 4.01Å
71S94.3Very high93.2Very high52 Ų5264.6 Ų64.636%0.36432%0.323SS..PPolyproline II helixtrans-75.6158.8170.482.20000110.4Q73 E74 E75S71-Q73 VanDerWaalsContact C-N 3.26Å; S71-Q73 PolarHBondContact O-N 3.46Å; S71-E74 PolarHBondContact N-OE2 3.14Å; S71-E74 PolarHBondContact O-N 2.94Å; S71-E74 VanDerWaalsContact O-N 3.11Å; S71-E74 WeakPolarHBondContact OG-CG 3.41Å; S71-E74 PolarHBondContact OG-N 3.09Å; S71-E74 VanDerWaalsContact OG-N 3.12Å; S71-E75 WeakPolarHBondContact O-CG 3.48Å; S71-E75 PolarHBondContact O-N 2.9Å
72L92.1Very high93.1Very high79 Ų7964.3 Ų64.341%0.41432%0.322SS..Hα-helixtrans-55.2-45.4175.6-61.4-176.5000111.1E74 E75 Q76 L347L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.27Å; L72-E75 PolarHBondContact O-N 3.41Å; L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 WeakPolarHBondContact O-CG 3.24Å; L72-Q76 PolarHBondContact O-N 3.22Å; L72-L347 HydrophobicContact CD2-CD1 3.12Å; L72-L347 HydrophobicContact CD2-CG 4.39Å
73Q93.8Very high92.8Very high142 Ų14262.1 Ų62.166%0.66432%0.322SS*.Hα-helixtrans-60.6-41.5178.2-171.5-178.2500112S71 Q76 T77S71-Q73 VanDerWaalsContact C-N 3.26Å; S71-Q73 PolarHBondContact O-N 3.46Å; Q73-Q76 WeakPolarHBondContact O-CB 3.44Å; Q73-Q76 PolarHBondContact O-N 2.77Å; Q73-T77 PolarHBondContact O-N 3.4Å; Q73-T77 PolarHBondContact O-OG1 3.02Å; Q73-T77 VanDerWaalsContact O-OG1 3.08Å
74E95.3Very high92.7Very high25 Ų2558.4 Ų58.412%0.11730%0.295CS..Hα-helixtrans-63.3-45.7175.9-68.3173.8134.400110.9F70 S71 L72 Q76 T77 I78 L96 R99F70-E74 WeakPolarHBondContact CA-OE2 3.42Å; F70-E74 HydrophobicContact CD1-CB 3.97Å; S71-E74 PolarHBondContact N-OE2 3.14Å; S71-E74 PolarHBondContact O-N 2.94Å; S71-E74 VanDerWaalsContact O-N 3.11Å; S71-E74 WeakPolarHBondContact OG-CG 3.41Å; S71-E74 PolarHBondContact OG-N 3.09Å; S71-E74 VanDerWaalsContact OG-N 3.12Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.27Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.16Å; E74-T77 PolarHBondContact O-N 3.12Å; E74-I78 VanDerWaalsContact O-CG1 3.29Å; E74-I78 WeakPolarHBondContact O-CG1 3.32Å; E74-I78 PolarHBondContact O-N 3.33Å; E74-L96 HydrophobicContact CB-CD2 4.11Å; E74-L96 HydrophobicContact CG-CD2 4.1Å; E74-R99 IonicContact OE1-CZ 3.47Å; E74-R99 IonicContact OE1-NE 2.67Å; E74-R99 PolarHBondContact OE1-NE 2.85Å; E74-R99 IonicContact OE1-NH2 3.57Å; E74-R99 PolarHBondContact OE1-NH2 3.21Å; E74-R99 IonicContact OE2-CZ 2.87Å; E74-R99 IonicContact OE2-NE 3.02Å; E74-R99 IonicContact OE2-NH2 2.83Å; E74-R99 PolarHBondContact OE2-NH2 3.3Å
75E94.4Very high92.6Very high11 Ų1156.3 Ų56.35%0.05128%0.284CS..Hα-helixtrans-59.3-42.9176.6-67.7-171.6145.200112F70 S71 L72 T77 I78 I79 H107 L112 R115F70-E75 HydrophobicContact CB-CG 3.86Å; S71-E75 WeakPolarHBondContact O-CG 3.48Å; S71-E75 PolarHBondContact O-N 2.9Å; L72-E75 PolarHBondContact O-N 3.41Å; E75-T77 VanDerWaalsContact C-N 3.35Å; E75-T77 PolarHBondContact O-N 2.7Å; E75-I78 PolarHBondContact O-N 3.34Å; E75-I79 WeakPolarHBondContact O-CG1 2.97Å; E75-I79 PolarHBondContact O-N 2.73Å; E75-H107 WeakPolarHBondContact CG-NE2 3.26Å; E75-H107 IonicContact OE1-CE1 3.64Å; E75-H107 PolarHBondContact OE1-CE1 3.01Å; E75-H107 VanDerWaalsContact OE1-CE1 3.28Å; E75-H107 IonicContact OE1-NE2 3.37Å; E75-H107 PolarHBondContact OE1-NE2 3.2Å; E75-L112 HydrophobicContact CB-CD2 4.18Å; E75-L112 HydrophobicContact CG-CD2 4.19Å; E75-R115 VanDerWaalsContact CD-NH1 3.32Å; E75-R115 IonicContact OE1-CZ 3.62Å; E75-R115 IonicContact OE1-NH1 2.68Å; E75-R115 PolarHBondContact OE1-NH1 3.47Å; E75-R115 IonicContact OE1-NH2 3.64Å; E75-R115 PolarHBondContact OE1-NH2 3.2Å; E75-R115 IonicContact OE2-CZ 3.15Å; E75-R115 IonicContact OE2-NH1 2.96Å; E75-R115 PolarHBondContact OE2-NH1 2.95Å; E75-R115 IonicContact OE2-NH2 3.28Å
76Q91.8Very high92.4Very high44 Ų4456.8 Ų56.821%0.20629%0.292CS..Hα-helixtrans-58.3-47.2176.6-69.2174.9-18.800111.3L72 Q73 E74 I78 I79 Q80 L340 N344L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 WeakPolarHBondContact O-CG 3.24Å; L72-Q76 PolarHBondContact O-N 3.22Å; Q73-Q76 WeakPolarHBondContact O-CB 3.44Å; Q73-Q76 PolarHBondContact O-N 2.77Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.16Å; Q76-I78 PolarHBondContact O-N 2.86Å; Q76-I79 PolarHBondContact O-N 3.11Å; Q76-Q80 WeakPolarHBondContact O-CG 3.09Å; Q76-Q80 PolarHBondContact O-N 3.44Å; Q76-L340 HydrophobicContact CB-CD1 3.63Å; Q76-L340 HydrophobicContact CB-CD2 3.78Å; Q76-L340 HydrophobicContact CB-CG 4.2Å; Q76-L340 HydrophobicContact CG-CB 4.04Å; Q76-L340 HydrophobicContact CG-CD1 3.5Å; Q76-L340 HydrophobicContact CG-CD2 3.46Å; Q76-L340 VanDerWaalsContact CG-CD2 3.46Å; Q76-L340 HydrophobicContact CG-CG 3.76Å; Q76-N344 PolarHBondContact NE2-ND2 2.87Å
77T94.1Very high92.5Very high34 Ų3457.3 Ų57.321%0.20930%0.3CS..Hα-helixtrans-62.8-40.3176.4-58.70000112Q73 E74 E75 L81 H95 L96Q73-T77 PolarHBondContact O-N 3.4Å; Q73-T77 PolarHBondContact O-OG1 3.02Å; Q73-T77 VanDerWaalsContact O-OG1 3.08Å; E74-T77 PolarHBondContact O-N 3.12Å; E75-T77 VanDerWaalsContact C-N 3.35Å; E75-T77 PolarHBondContact O-N 2.7Å; T77-L81 HydrophobicContact CG2-CD1 3.61Å; T77-L81 HydrophobicContact CG2-CG 4.21Å; T77-L81 WeakPolarHBondContact O-CB 3.03Å; T77-L81 VanDerWaalsContact O-CG 3.32Å; T77-L81 WeakPolarHBondContact O-CG 3.41Å; T77-L81 PolarHBondContact O-N 3.41Å; T77-H95 HydrophobicContact CG2-CB 4.44Å; T77-L96 HydrophobicContact CG2-CD2 3.94Å; T77-L96 HydrophobicContact CG2-CG 4.32Å
78I95.1Very high92.6Very high0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-60.6-47.5176.2-64.6167.7000110.6F70 E74 E75 Q76 H82 L96 I104 W108 L112F70-I78 HydrophobicContact CD1-CD1 3.77Å; F70-I78 HydrophobicContact CE1-CD1 3.67Å; F70-I78 HydrophobicContact CZ-CD1 4.48Å; E74-I78 VanDerWaalsContact O-CG1 3.29Å; E74-I78 WeakPolarHBondContact O-CG1 3.32Å; E74-I78 PolarHBondContact O-N 3.33Å; E75-I78 PolarHBondContact O-N 3.34Å; Q76-I78 PolarHBondContact O-N 2.86Å; I78-H82 WeakPolarHBondContact O-CB 3.49Å; I78-H82 PolarHBondContact O-N 3.04Å; I78-L96 HydrophobicContact CD1-CD1 4.05Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I78-I104 HydrophobicContact CD1-CG1 4.41Å; I78-I104 HydrophobicContact CD1-CG2 4.04Å; I78-I104 HydrophobicContact CG1-CG2 3.96Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; I78-W108 HydrophobicContact CG2-CE3 4.05Å; I78-L112 HydrophobicContact CB-CD1 4.01Å; I78-L112 HydrophobicContact CD1-CD1 4.41Å; I78-L112 HydrophobicContact CG2-CD1 3.59Å
79I92.2Very high92.8Very high2 Ų252.3 Ų52.31%0.0126%0.264CS..Hα-helixtrans-60.8-50.4-179.1-67.1167.1000110.3E75 Q76 H82 A83 W108 L112 H126 W336 L340E75-I79 WeakPolarHBondContact O-CG1 2.97Å; E75-I79 PolarHBondContact O-N 2.73Å; Q76-I79 PolarHBondContact O-N 3.11Å; I79-H82 PolarHBondContact O-N 3.45Å; I79-A83 PolarHBondContact O-N 2.67Å; I79-W108 HydrophobicContact CG1-CZ3 4.43Å; I79-L112 HydrophobicContact CD1-CD2 4.3Å; I79-L112 HydrophobicContact CG1-CD1 4.26Å; I79-L112 HydrophobicContact CG1-CD2 4.48Å; I79-H126 PolarHBondContact O-CE1 2.8Å; I79-W336 HydrophobicContact CG2-CZ3 3.93Å; I79-L340 HydrophobicContact CD1-CD2 4.31Å
80Q90.9Very high92.9Very high62 Ų6246.6 Ų46.629%0.2925%0.249SC..Hα-helixtrans-59.8-48.8179.8-72.3172.4-800112Q76 A83 L84 W336Q76-Q80 WeakPolarHBondContact O-CG 3.09Å; Q76-Q80 PolarHBondContact O-N 3.44Å; Q80-A83 WeakPolarHBondContact O-CB 3.39Å; Q80-A83 PolarHBondContact O-N 2.99Å; Q80-L84 WeakPolarHBondContact O-CG 3.17Å; Q80-L84 PolarHBondContact O-N 2.77Å; Q80-W336 HydrophobicContact CG-CD2 3.81Å; Q80-W336 HydrophobicContact CG-CE3 3.88Å; Q80-W336 HydrophobicContact CG-CG 4.14Å; Q80-W336 HydrophobicContact CG-CZ3 4.37Å
81L92.4Very high92.8Very high22 Ų2245.4 Ų45.412%0.11524%0.244CC..Hα-helixtrans-71.3-33.2-178.3-68.7174.5000112.6T77 A83 L84 L85 I92 H95T77-L81 HydrophobicContact CG2-CD1 3.61Å; T77-L81 HydrophobicContact CG2-CG 4.21Å; T77-L81 WeakPolarHBondContact O-CB 3.03Å; T77-L81 VanDerWaalsContact O-CG 3.32Å; T77-L81 WeakPolarHBondContact O-CG 3.41Å; T77-L81 PolarHBondContact O-N 3.41Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-L85 WeakPolarHBondContact O-CB 3.5Å; L81-L85 PolarHBondContact O-N 2.9Å; L81-I92 HydrophobicContact CB-CD1 4.47Å; L81-I92 HydrophobicContact CB-CG1 4.05Å; L81-I92 HydrophobicContact CB-CG2 4.12Å; L81-I92 HydrophobicContact CD1-CG2 4.02Å; L81-H95 HydrophobicContact CD1-CB 3.49Å; L81-H95 VanDerWaalsContact CD1-CB 3.49Å
82H92.9Very high92.9Very high10 Ų1042.9 Ų42.95%0.04623%0.227CC..Hα-helixtrans-65.4-38.4173.1-179.5-75.2000111.2I78 I79 L84 G86 N87 W89 I92 W108 H126I78-H82 WeakPolarHBondContact O-CB 3.49Å; I78-H82 PolarHBondContact O-N 3.04Å; I79-H82 PolarHBondContact O-N 3.45Å; H82-L84 PolarHBondContact O-N 2.98Å; H82-G86 WeakPolarHBondContact O-CA 3.39Å; H82-G86 PolarHBondContact O-N 3.03Å; H82-N87 PolarHBondContact NE2-OD1 2.9Å; H82-W89 AromaticContact CD2-CH2 3.54Å; H82-I92 HydrophobicContact CB-CD1 4.27Å; H82-W108 HydrophobicContact CB-CE3 4.35Å; H82-W108 HydrophobicContact CB-CH2 4.2Å; H82-W108 HydrophobicContact CB-CZ3 3.96Å; H82-W108 AromaticContact CD2-CD2 3.97Å; H82-W108 AromaticContact CD2-CE2 3.7Å; H82-W108 AromaticContact CD2-CZ2 3.78Å; H82-W108 AromaticContact CE1-CE2 3.83Å; H82-W108 AromaticContact CE1-CH2 3.78Å; H82-W108 AromaticContact CE1-CZ2 3.28Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.12Å; H82-W108 AromaticContact CG-CH2 3.64Å; H82-W108 AromaticContact CG-CZ2 3.76Å; H82-W108 AromaticContact CG-CZ3 3.83Å; H82-W108 AromaticContact ND1-CH2 3.45Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.39Å; H82-W108 AromaticContact ND1-CZ2 3.48Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.5Å; H82-W108 AromaticContact NE2-CE2 3.51Å; H82-W108 AromaticContact NE2-CZ2 3.48Å; H82-W108 WeakPolarHBondContact NE2-CZ2 3.41Å; H82-W108 AromaticContact NE2-NE1 3.69Å; H82-H126 AromaticContact CE1-NE2 3.95Å; H82-H126 AromaticContact ND1-CD2 3.97Å; H82-H126 AromaticContact ND1-NE2 3.1Å; H82-H126 PolarHBondContact ND1-NE2 2.93Å
83A89Confident93Very high39 Ų3940.1 Ų40.132%0.32222%0.215SC..Hα-helixtrans-60.8-32.7174.100000112.3I79 Q80 L81 H126 W336I79-A83 PolarHBondContact O-N 2.67Å; Q80-A83 WeakPolarHBondContact O-CB 3.39Å; Q80-A83 PolarHBondContact O-N 2.99Å; L81-A83 VanDerWaalsContact C-N 3.33Å; A83-H126 HydrophobicContact CB-CB 3.97Å; A83-W336 HydrophobicContact CB-CH2 3.65Å; A83-W336 HydrophobicContact CB-CZ2 4.08Å
84L88.1Confident93Very high42 Ų4237.4 Ų37.422%0.2221%0.209CC..Hα-helixtrans-85-44.3-179.7-69174000114Q80 L81 H82 L148 A152Q80-L84 WeakPolarHBondContact O-CG 3.17Å; Q80-L84 PolarHBondContact O-N 2.77Å; L81-L84 PolarHBondContact O-N 2.88Å; H82-L84 PolarHBondContact O-N 2.98Å; L84-L148 HydrophobicContact CD2-CB 3.77Å; L84-L148 HydrophobicContact CD2-CD2 3.75Å; L84-L148 HydrophobicContact CD2-CG 4.3Å; L84-A152 WeakPolarHBondContact O-CB 3.48Å
85L89.7Confident93Very high14 Ų1440 Ų407%0.07322%0.221CC..Hα-helixtrans-110.2-12.8-168.1-56.3178.5000113.5L81 R88 A91 I92 E155L81-L85 WeakPolarHBondContact O-CB 3.5Å; L81-L85 PolarHBondContact O-N 2.9Å; L85-R88 HydrophobicContact CB-CB 4.26Å; L85-R88 WeakPolarHBondContact O-CD 3.02Å; L85-R88 WeakPolarHBondContact O-CG 3.35Å; L85-A91 HydrophobicContact CD1-CB 4.17Å; L85-I92 HydrophobicContact CD1-CG1 4.35Å; L85-E155 HydrophobicContact CD2-CB 3.53Å; L85-E155 HydrophobicContact CD2-CG 4.11Å
86G91Very high93Very high25 Ų2539.9 Ų39.926%0.25822%0.22SC..SBendtrans64.8-142.4-171.600000112.8H82 R88H82-G86 WeakPolarHBondContact O-CA 3.39Å; H82-G86 PolarHBondContact O-N 3.03Å; G86-R88 PolarHBondContact O-N 3.18Å
87N94.1Very high93Very high112 Ų11242.2 Ų42.260%0.59924%0.239SC*.SBendtrans-74.826.1-175.5-66.7-39.6000114.7H82 W89H82-N87 PolarHBondContact NE2-OD1 2.9Å; N87-W89 HydrophobicContact CB-CZ2 4.23Å; N87-W89 VanDerWaalsContact O-CD1 3.23Å; N87-W89 PolarHBondContact O-N 3.1Å; N87-W89 PolarHBondContact O-NE1 3.14Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.23Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.38Å
88R93.6Very high93Very high123 Ų12343.6 Ų43.646%0.46425%0.245SC..  trans-82.762.1178.9-67.3179.9-179-102.64.8110.9L85 G86 S90 A91 I92 N156L85-R88 HydrophobicContact CB-CB 4.26Å; L85-R88 WeakPolarHBondContact O-CD 3.02Å; L85-R88 WeakPolarHBondContact O-CG 3.35Å; G86-R88 PolarHBondContact O-N 3.18Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 2.8Å; R88-A91 HydrophobicContact CB-CB 4.1Å; R88-A91 WeakPolarHBondContact O-CA 3.35Å; R88-A91 WeakPolarHBondContact O-CB 3.45Å; R88-A91 PolarHBondContact O-N 3.3Å; R88-I92 PolarHBondContact O-N 3.14Å; R88-N156 PolarHBondContact NE-OD1 3.04Å; R88-N156 VanDerWaalsContact NE-OD1 3.14Å; R88-N156 PolarHBondContact NH2-OD1 3.3Å; R88-N156 VanDerWaalsContact NH2-OD1 3.15Å
89W96.6Very high93.1Very high31 Ų3144.4 Ų44.412%0.11725%0.248CC..Hα-helixtrans-53.6-41.6-171.3-54.5115000114.5H82 N87 A91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.54Å; N87-W89 HydrophobicContact CB-CZ2 4.23Å; N87-W89 VanDerWaalsContact O-CD1 3.23Å; N87-W89 PolarHBondContact O-N 3.1Å; N87-W89 PolarHBondContact O-NE1 3.14Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.23Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.38Å; W89-A91 VanDerWaalsContact C-N 3.25Å; W89-A91 PolarHBondContact O-N 3.11Å; W89-I92 HydrophobicContact CE3-CD1 3.98Å; W89-I92 HydrophobicContact CZ3-CD1 4.06Å; W89-I92 PolarHBondContact O-N 3.16Å; W89-A93 WeakPolarHBondContact O-CB 3.39Å; W89-A93 PolarHBondContact O-N 3.33Å; W89-D101 HydrophobicContact CB-CB 3.88Å; W89-I104 HydrophobicContact CE3-CG2 3.72Å; W89-I104 HydrophobicContact CZ3-CG2 3.96Å; W89-K105 HydrophobicContact CD2-CB 3.68Å; W89-K105 HydrophobicContact CD2-CG 4.18Å; W89-K105 HydrophobicContact CE3-CB 4.25Å; W89-K105 HydrophobicContact CG-CB 3.77Å; W89-K105 HydrophobicContact CG-CG 4.26Å; W89-K105 HydrophobicContact CZ2-CB 4.43Å; W89-K105 HydrophobicContact CZ2-CG 4.29Å; W89-W108 HydrophobicContact CH2-CB 3.61Å; W89-W108 AromaticContact CH2-CD1 3.5Å; W89-W108 AromaticContact CH2-CD2 3.97Å; W89-W108 HydrophobicContact CH2-CD2 3.97Å; W89-W108 AromaticContact CH2-CG 3.39Å; W89-W108 HydrophobicContact CH2-CG 3.39Å; W89-W108 HydrophobicContact CZ2-CB 4.46Å; W89-W108 AromaticContact CZ2-CD1 3.95Å; W89-W108 HydrophobicContact CZ2-CG 4.24Å; W89-W108 HydrophobicContact CZ3-CB 3.98Å; W89-W108 HydrophobicContact CZ3-CG 4.12Å
90S94.6Very high93.2Very high79 Ų7944.6 Ų44.655%0.55225%0.25SC*.Hα-helixtrans-65.9-29.1178.9-43.20000112.5R88 D101R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 2.8Å; S90-D101 PolarHBondContact OG-OD2 2.89Å; S90-D101 VanDerWaalsContact OG-OD2 3.06Å
91A93.4Very high93.5Very high5 Ų544.2 Ų44.24%0.04125%0.25CC..Hα-helixtrans-76-42.9172.200000111.2L85 R88 W89 A93 T94 L159L85-A91 HydrophobicContact CD1-CB 4.17Å; R88-A91 HydrophobicContact CB-CB 4.1Å; R88-A91 WeakPolarHBondContact O-CA 3.35Å; R88-A91 WeakPolarHBondContact O-CB 3.45Å; R88-A91 PolarHBondContact O-N 3.3Å; W89-A91 VanDerWaalsContact C-N 3.25Å; W89-A91 PolarHBondContact O-N 3.11Å; A91-A93 PolarHBondContact O-N 3.33Å; A91-T94 PolarHBondContact O-N 3.35Å; A91-T94 VanDerWaalsContact O-N 3.1Å; A91-T94 PolarHBondContact O-OG1 3.39Å; A91-L159 HydrophobicContact CB-CD1 3.61Å; A91-L159 HydrophobicContact CB-CD2 4.05Å; A91-L159 HydrophobicContact CB-CG 4.44Å
92I95.6Very high93.7Very high0 Ų045.1 Ų45.10%026%0.255CS..Hα-helixtrans-59-39.7175.3-60.7177.4000110.7L81 H82 L85 R88 W89 T94 H95 L96 I104L81-I92 HydrophobicContact CB-CD1 4.47Å; L81-I92 HydrophobicContact CB-CG1 4.05Å; L81-I92 HydrophobicContact CB-CG2 4.12Å; L81-I92 HydrophobicContact CD1-CG2 4.02Å; H82-I92 HydrophobicContact CB-CD1 4.27Å; L85-I92 HydrophobicContact CD1-CG1 4.35Å; R88-I92 PolarHBondContact O-N 3.14Å; W89-I92 HydrophobicContact CE3-CD1 3.98Å; W89-I92 HydrophobicContact CZ3-CD1 4.06Å; W89-I92 PolarHBondContact O-N 3.16Å; I92-T94 PolarHBondContact O-N 3.47Å; I92-T94 VanDerWaalsContact O-N 3.15Å; I92-H95 PolarHBondContact O-N 3.24Å; I92-H95 VanDerWaalsContact O-N 3.08Å; I92-L96 HydrophobicContact CG2-CD1 4.47Å; I92-I104 HydrophobicContact CG2-CD1 4.43Å; I92-I104 HydrophobicContact CG2-CG2 4.04Å
93A95.6Very high93.9Very high20 Ų2046.7 Ų46.717%0.16526%0.262CS..G310 helixtrans-60.5-22.4178.700000113.9W89 A91 H95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.39Å; W89-A93 PolarHBondContact O-N 3.33Å; A91-A93 PolarHBondContact O-N 3.33Å; A93-H95 PolarHBondContact O-N 3.46Å; A93-L96 PolarHBondContact O-N 2.94Å; A93-D101 HydrophobicContact CB-CB 4.04Å; A93-I104 HydrophobicContact CB-CD1 3.78Å
94T93.9Very high94.2Very high86 Ų8644.8 Ų44.853%0.52825%0.247SC..G310 helixtrans-69.4-21.2176.967.10000112.8A91 I92A91-T94 PolarHBondContact O-N 3.35Å; A91-T94 VanDerWaalsContact O-N 3.1Å; A91-T94 PolarHBondContact O-OG1 3.39Å; I92-T94 PolarHBondContact O-N 3.47Å; I92-T94 VanDerWaalsContact O-N 3.15Å
95H93.6Very high94.6Very high80 Ų8046.5 Ų46.537%0.3725%0.252SS..G310 helixtrans-93.6-9.1179.1-62.7-87.7000113.4T77 L81 I92 A93 P97T77-H95 HydrophobicContact CG2-CB 4.44Å; L81-H95 HydrophobicContact CD1-CB 3.49Å; L81-H95 VanDerWaalsContact CD1-CB 3.49Å; I92-H95 PolarHBondContact O-N 3.24Å; I92-H95 VanDerWaalsContact O-N 3.08Å; A93-H95 PolarHBondContact O-N 3.46Å; H95-P97 WeakPolarHBondContact O-CD 3.47Å
96L94.7Very high94.9Very high8 Ų850.2 Ų50.24%0.04227%0.272CS..SBendtrans-115.689.3-178.7-69.5172.9000109.4E74 T77 I78 I92 A93 N98 R99 I104E74-L96 HydrophobicContact CB-CD2 4.11Å; E74-L96 HydrophobicContact CG-CD2 4.1Å; T77-L96 HydrophobicContact CG2-CD2 3.94Å; T77-L96 HydrophobicContact CG2-CG 4.32Å; I78-L96 HydrophobicContact CD1-CD1 4.05Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I92-L96 HydrophobicContact CG2-CD1 4.47Å; A93-L96 PolarHBondContact O-N 2.94Å; L96-N98 PolarHBondContact O-N 2.99Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.23Å; L96-R99 PolarHBondContact O-N 3.41Å; L96-R99 VanDerWaalsContact O-N 3.16Å; L96-I104 HydrophobicContact CB-CD1 4.37Å; L96-I104 HydrophobicContact CD1-CD1 3.7Å; L96-I104 HydrophobicContact CD1-CG1 3.93Å
97P92.7Very high95.2Very high93 Ų9349.8 Ų49.860%0.60426%0.263SS*.THydrogen-bonded Turntrans-58.4134.8-178.125.4-33.8000109.4H95 R99H95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-R99 PolarHBondContact O-N 2.99Å
98N93.8Very high95.3Very high63 Ų6344.9 Ų44.934%0.33724%0.236SC..THydrogen-bonded Turntrans69.811.4177.4-55.10.4000115.4D64 K66 L96D64-N98 WeakPolarHBondContact O-CA 3.38Å; D64-N98 WeakPolarHBondContact O-CB 3.33Å; D64-N98 PolarHBondContact O-OD1 2.98Å; K66-N98 HydrophobicContact CB-CB 4.1Å; K66-N98 HydrophobicContact CD-CB 3.73Å; K66-N98 WeakPolarHBondContact CE-ND2 3.29Å; K66-N98 HydrophobicContact CG-CB 3.6Å; K66-N98 PolarHBondContact N-O 2.9Å; L96-N98 PolarHBondContact O-N 2.99Å
99R95.9Very high95.3Very high16 Ų1642.5 Ų42.56%0.0623%0.233CC..  trans-107.9141.1168.8-63.1-60.5-173.3165.98.6110.6K66 G68 K69 F70 E74 L96 P97 I104K66-R99 PolarHBondContact O-NH1 3.32Å; K66-R99 VanDerWaalsContact O-NH1 3.08Å; G68-R99 PolarHBondContact O-NH1 3.32Å; K69-R99 PolarHBondContact O-NH2 2.97Å; F70-R99 HydrophobicContact CE1-CG 4.06Å; E74-R99 IonicContact OE1-CZ 3.47Å; E74-R99 IonicContact OE1-NE 2.67Å; E74-R99 PolarHBondContact OE1-NE 2.85Å; E74-R99 IonicContact OE1-NH2 3.57Å; E74-R99 PolarHBondContact OE1-NH2 3.21Å; E74-R99 IonicContact OE2-CZ 2.87Å; E74-R99 IonicContact OE2-NE 3.02Å; E74-R99 IonicContact OE2-NH2 2.83Å; E74-R99 PolarHBondContact OE2-NH2 3.3Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.23Å; L96-R99 PolarHBondContact O-N 3.41Å; L96-R99 VanDerWaalsContact O-N 3.16Å; P97-R99 PolarHBondContact O-N 2.99Å; R99-I104 HydrophobicContact CB-CD1 4.26Å; R99-I104 HydrophobicContact CB-CG1 4.3Å
100T96.3Very high95.1Very high7 Ų743.5 Ų43.54%0.04324%0.243CC..  trans-90.7152.8177.564.80000110.8I65 N102 E103 I104I65-T100 HydrophobicContact CD1-CG2 3.85Å; I65-T100 HydrophobicContact CG1-CG2 3.93Å; I65-T100 HydrophobicContact CG2-CG2 4.11Å; T100-N102 PolarHBondContact O-N 3.46Å; T100-E103 PolarHBondContact N-OE2 2.9Å; T100-E103 PolarHBondContact O-N 3.31Å; T100-E103 VanDerWaalsContact O-N 3.15Å; T100-E103 WeakPolarHBondContact OG1-CB 3.05Å; T100-E103 WeakPolarHBondContact OG1-CG 3.31Å; T100-E103 PolarHBondContact OG1-N 3.38Å; T100-E103 PolarHBondContact OG1-OE2 3.27Å; T100-I104 WeakPolarHBondContact O-CD1 3.5Å; T100-I104 WeakPolarHBondContact O-CG1 3.46Å; T100-I104 PolarHBondContact O-N 3.38Å
101D96.1Very high95Very high53 Ų5344.4 Ų44.428%0.28324%0.238SC..Hα-helixtrans-59.3-34.3175.166.6-28.9000112.1W89 S90 A93 K105W89-D101 HydrophobicContact CB-CB 3.88Å; S90-D101 PolarHBondContact OG-OD2 2.89Å; S90-D101 VanDerWaalsContact OG-OD2 3.06Å; A93-D101 HydrophobicContact CB-CB 4.04Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 PolarHBondContact O-N 3.39Å
102N96.3Very high95Very high42 Ų4244.2 Ų44.223%0.22524%0.236CC..Hα-helixtrans-65.7-42.3174.9-170.369.1000112.8T100 K105 N106T100-N102 PolarHBondContact O-N 3.46Å; N102-K105 PolarHBondContact OD1-NZ 2.96Å; N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.47Å; N102-N106 PolarHBondContact O-N 2.9Å
103E96.8Very high94.7Very high42 Ų4249.2 Ų49.220%0.19626%0.258CS..Hα-helixtrans-63.7-45.6175.7-74.5168.2127.300111.4F70 T100 N106 H107F70-E103 HydrophobicContact CE2-CB 4.43Å; F70-E103 HydrophobicContact CZ-CB 3.98Å; T100-E103 PolarHBondContact N-OE2 2.9Å; T100-E103 PolarHBondContact O-N 3.31Å; T100-E103 VanDerWaalsContact O-N 3.15Å; T100-E103 WeakPolarHBondContact OG1-CB 3.05Å; T100-E103 WeakPolarHBondContact OG1-CG 3.31Å; T100-E103 PolarHBondContact OG1-N 3.38Å; T100-E103 PolarHBondContact OG1-OE2 3.27Å; E103-N106 PolarHBondContact O-N 3.38Å; E103-H107 WeakPolarHBondContact O-CB 3.06Å; E103-H107 PolarHBondContact O-N 3.4Å
104I97Very high94.4Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-61.1-50179.8-65160000110.3F70 I78 W89 I92 A93 L96 R99 T100 N106 H107 W108F70-I104 HydrophobicContact CE1-CG1 4.29Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; I78-I104 HydrophobicContact CD1-CG1 4.41Å; I78-I104 HydrophobicContact CD1-CG2 4.04Å; I78-I104 HydrophobicContact CG1-CG2 3.96Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; W89-I104 HydrophobicContact CE3-CG2 3.72Å; W89-I104 HydrophobicContact CZ3-CG2 3.96Å; I92-I104 HydrophobicContact CG2-CD1 4.43Å; I92-I104 HydrophobicContact CG2-CG2 4.04Å; A93-I104 HydrophobicContact CB-CD1 3.78Å; L96-I104 HydrophobicContact CB-CD1 4.37Å; L96-I104 HydrophobicContact CD1-CD1 3.7Å; L96-I104 HydrophobicContact CD1-CG1 3.93Å; R99-I104 HydrophobicContact CB-CD1 4.26Å; R99-I104 HydrophobicContact CB-CG1 4.3Å; T100-I104 WeakPolarHBondContact O-CD1 3.5Å; T100-I104 WeakPolarHBondContact O-CG1 3.46Å; T100-I104 PolarHBondContact O-N 3.38Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 3.32Å; I104-H107 PolarHBondContact O-N 3.23Å; I104-W108 WeakPolarHBondContact O-CB 3.37Å; I104-W108 PolarHBondContact O-N 2.95Å
105K96.3Very high94.1Very high77 Ų7753 Ų5334%0.33526%0.262SS..Hα-helixtrans-56.8-44.3175.5176.5-171.272.2-159.50111.8W89 D101 N102 N109W89-K105 HydrophobicContact CD2-CB 3.68Å; W89-K105 HydrophobicContact CD2-CG 4.18Å; W89-K105 HydrophobicContact CE3-CB 4.25Å; W89-K105 HydrophobicContact CG-CB 3.77Å; W89-K105 HydrophobicContact CG-CG 4.26Å; W89-K105 HydrophobicContact CZ2-CB 4.43Å; W89-K105 HydrophobicContact CZ2-CG 4.29Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 PolarHBondContact O-N 3.39Å; N102-K105 PolarHBondContact OD1-NZ 2.96Å; K105-N109 PolarHBondContact O-N 3.25Å; K105-N109 VanDerWaalsContact O-N 3.14Å; K105-N109 PolarHBondContact O-ND2 2.96Å; K105-N109 VanDerWaalsContact O-ND2 3.09Å
106N96.2Very high93.8Very high92 Ų9249.2 Ų49.249%0.49225%0.245SC..Hα-helixtrans-62.8-51.3178.8-174.660.7000110.6N102 E103 I104 W108 N109 T110N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.47Å; N102-N106 PolarHBondContact O-N 2.9Å; E103-N106 PolarHBondContact O-N 3.38Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 3.32Å; N106-W108 VanDerWaalsContact C-N 3.26Å; N106-W108 PolarHBondContact O-N 3.49Å; N106-N109 PolarHBondContact O-N 3.28Å; N106-N109 VanDerWaalsContact O-N 3.12Å; N106-T110 WeakPolarHBondContact O-CG2 3.49Å; N106-T110 PolarHBondContact O-N 2.68Å; N106-T110 PolarHBondContact O-OG1 3.37Å
107H95.9Very high93.3Very high17 Ų1751.8 Ų51.88%0.07927%0.267CS..Hα-helixtrans-58.4-39.1179.7-167.864.1000112.6F70 E75 E103 I104 H111 L112F70-H107 HydrophobicContact CD2-CB 3.84Å; F70-H107 AromaticContact CD2-CD2 3.74Å; F70-H107 AromaticContact CD2-CE1 3.81Å; F70-H107 AromaticContact CD2-CG 3.39Å; F70-H107 AromaticContact CD2-ND1 3.45Å; F70-H107 WeakPolarHBondContact CD2-ND1 3.43Å; F70-H107 AromaticContact CD2-NE2 3.98Å; F70-H107 HydrophobicContact CE2-CB 3.5Å; F70-H107 VanDerWaalsContact CE2-CB 3.5Å; F70-H107 AromaticContact CE2-CG 3.63Å; F70-H107 AromaticContact CE2-ND1 3.98Å; F70-H107 AromaticContact CG-CD2 3.82Å; F70-H107 AromaticContact CG-CG 3.96Å; F70-H107 AromaticContact CG-NE2 3.95Å; F70-H107 HydrophobicContact CZ-CB 4.01Å; E75-H107 WeakPolarHBondContact CG-NE2 3.26Å; E75-H107 IonicContact OE1-CE1 3.64Å; E75-H107 PolarHBondContact OE1-CE1 3.01Å; E75-H107 VanDerWaalsContact OE1-CE1 3.28Å; E75-H107 IonicContact OE1-NE2 3.37Å; E75-H107 PolarHBondContact OE1-NE2 3.2Å; E103-H107 WeakPolarHBondContact O-CB 3.06Å; E103-H107 PolarHBondContact O-N 3.4Å; I104-H107 PolarHBondContact O-N 3.23Å; H107-H111 AromaticContact CE1-CD2 3.65Å; H107-H111 AromaticContact CE1-CG 3.91Å; H107-H111 AromaticContact ND1-CD2 3.25Å; H107-H111 PolarHBondContact ND1-CD2 3.09Å; H107-H111 AromaticContact ND1-CG 3.91Å; H107-H111 WeakPolarHBondContact O-CA 3.29Å; H107-H111 WeakPolarHBondContact O-CB 3.38Å; H107-H111 PolarHBondContact O-N 2.79Å; H107-L112 PolarHBondContact O-N 2.85Å
108W95.7Very high92.8Very high8 Ų854.1 Ų54.13%0.0327%0.268CS..Iπ-helixtrans-59.1-53.1173.8177.8-96.5000112.2I78 I79 H82 W89 I104 N106 L112 K113 L116 P123 H126I78-W108 HydrophobicContact CG2-CE3 4.05Å; I79-W108 HydrophobicContact CG1-CZ3 4.43Å; H82-W108 HydrophobicContact CB-CE3 4.35Å; H82-W108 HydrophobicContact CB-CH2 4.2Å; H82-W108 HydrophobicContact CB-CZ3 3.96Å; H82-W108 AromaticContact CD2-CD2 3.97Å; H82-W108 AromaticContact CD2-CE2 3.7Å; H82-W108 AromaticContact CD2-CZ2 3.78Å; H82-W108 AromaticContact CE1-CE2 3.83Å; H82-W108 AromaticContact CE1-CH2 3.78Å; H82-W108 AromaticContact CE1-CZ2 3.28Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.12Å; H82-W108 AromaticContact CG-CH2 3.64Å; H82-W108 AromaticContact CG-CZ2 3.76Å; H82-W108 AromaticContact CG-CZ3 3.83Å; H82-W108 AromaticContact ND1-CH2 3.45Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.39Å; H82-W108 AromaticContact ND1-CZ2 3.48Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.5Å; H82-W108 AromaticContact NE2-CE2 3.51Å; H82-W108 AromaticContact NE2-CZ2 3.48Å; H82-W108 WeakPolarHBondContact NE2-CZ2 3.41Å; H82-W108 AromaticContact NE2-NE1 3.69Å; W89-W108 HydrophobicContact CH2-CB 3.61Å; W89-W108 AromaticContact CH2-CD1 3.5Å; W89-W108 AromaticContact CH2-CD2 3.97Å; W89-W108 HydrophobicContact CH2-CD2 3.97Å; W89-W108 AromaticContact CH2-CG 3.39Å; W89-W108 HydrophobicContact CH2-CG 3.39Å; W89-W108 HydrophobicContact CZ2-CB 4.46Å; W89-W108 AromaticContact CZ2-CD1 3.95Å; W89-W108 HydrophobicContact CZ2-CG 4.24Å; W89-W108 HydrophobicContact CZ3-CB 3.98Å; W89-W108 HydrophobicContact CZ3-CG 4.12Å; I104-W108 WeakPolarHBondContact O-CB 3.37Å; I104-W108 PolarHBondContact O-N 2.95Å; N106-W108 VanDerWaalsContact C-N 3.26Å; N106-W108 PolarHBondContact O-N 3.49Å; W108-L112 HydrophobicContact CD2-CB 4.4Å; W108-L112 HydrophobicContact CE3-CB 3.81Å; W108-L112 HydrophobicContact CE3-CD1 3.79Å; W108-L112 HydrophobicContact CE3-CG 4.46Å; W108-L112 HydrophobicContact CZ3-CB 4.18Å; W108-L112 HydrophobicContact CZ3-CD1 4.38Å; W108-L112 PolarHBondContact O-N 3.3Å; W108-K113 WeakPolarHBondContact O-CB 3.48Å; W108-K113 PolarHBondContact O-N 3.24Å; W108-L116 HydrophobicContact CH2-CD1 3.69Å; W108-L116 HydrophobicContact CZ3-CD1 4.03Å; W108-P123 WeakPolarHBondContact CH2-O 3.3Å; W108-P123 HydrophobicContact CZ2-CB 4.08Å; W108-P123 VanDerWaalsContact CZ2-O 3.24Å; W108-P123 WeakPolarHBondContact CZ2-O 3.45Å; W108-H126 AromaticContact CH2-CE1 3.53Å; W108-H126 AromaticContact CH2-NE2 3.51Å
109N94.2Very high92.1Very high73 Ų7353.1 Ų53.139%0.3926%0.262SS..Iπ-helixtrans-70-33.2-176.2-70.9-36.9000113K105 N106K105-N109 PolarHBondContact O-N 3.25Å; K105-N109 VanDerWaalsContact O-N 3.14Å; K105-N109 PolarHBondContact O-ND2 2.96Å; K105-N109 VanDerWaalsContact O-ND2 3.09Å; N106-N109 PolarHBondContact O-N 3.28Å; N106-N109 VanDerWaalsContact O-N 3.12Å
110T93.3Very high91.2Very high53 Ų5353.8 Ų53.833%0.32527%0.273SS..Iπ-helixtrans-88.9-35.4-17759.50000113.3N106N106-T110 WeakPolarHBondContact O-CG2 3.49Å; N106-T110 PolarHBondContact O-N 2.68Å; N106-T110 PolarHBondContact O-OG1 3.37Å
111H92.4Very high90.3Very high98 Ų9853.7 Ų53.745%0.45427%0.273SS..Iπ-helixtrans-119.8-56.5-171.2-60.7-68.3000113.7H107 R115H107-H111 AromaticContact CE1-CD2 3.65Å; H107-H111 AromaticContact CE1-CG 3.91Å; H107-H111 AromaticContact ND1-CD2 3.25Å; H107-H111 PolarHBondContact ND1-CD2 3.09Å; H107-H111 AromaticContact ND1-CG 3.91Å; H107-H111 WeakPolarHBondContact O-CA 3.29Å; H107-H111 WeakPolarHBondContact O-CB 3.38Å; H107-H111 PolarHBondContact O-N 2.79Å; H111-R115 WeakPolarHBondContact O-CB 3.47Å; H111-R115 PolarHBondContact O-N 3.39Å; H111-R115 VanDerWaalsContact O-N 3.09Å
112L92.7Very high89.5Confident0 Ų053.6 Ų53.60%027%0.272CS..Iπ-helixtrans-70.1-43.1-167.6-60.3176.2000112.7E75 I78 I79 H107 W108 K114 R115 L116E75-L112 HydrophobicContact CB-CD2 4.18Å; E75-L112 HydrophobicContact CG-CD2 4.19Å; I78-L112 HydrophobicContact CB-CD1 4.01Å; I78-L112 HydrophobicContact CD1-CD1 4.41Å; I78-L112 HydrophobicContact CG2-CD1 3.59Å; I79-L112 HydrophobicContact CD1-CD2 4.3Å; I79-L112 HydrophobicContact CG1-CD1 4.26Å; I79-L112 HydrophobicContact CG1-CD2 4.48Å; H107-L112 PolarHBondContact O-N 2.85Å; W108-L112 HydrophobicContact CD2-CB 4.4Å; W108-L112 HydrophobicContact CE3-CB 3.81Å; W108-L112 HydrophobicContact CE3-CD1 3.79Å; W108-L112 HydrophobicContact CE3-CG 4.46Å; W108-L112 HydrophobicContact CZ3-CB 4.18Å; W108-L112 HydrophobicContact CZ3-CD1 4.38Å; W108-L112 PolarHBondContact O-N 3.3Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.95Å; L112-R115 PolarHBondContact O-N 3.22Å; L112-R115 VanDerWaalsContact O-N 3.15Å; L112-L116 WeakPolarHBondContact O-CG 3.12Å; L112-L116 PolarHBondContact O-N 2.89Å
113K89.6Confident88.6Confident105 Ų10552.3 Ų52.346%0.45727%0.266SS..Hα-helixtrans-56.1-45.7179.1-170.7-178.4-179.3-1750111.7W108 A117 P123W108-K113 WeakPolarHBondContact O-CB 3.48Å; W108-K113 PolarHBondContact O-N 3.24Å; K113-A117 PolarHBondContact O-N 3.39Å; K113-P123 HydrophobicContact CB-CB 4.39Å; K113-P123 HydrophobicContact CG-CB 3.75Å; K113-P123 HydrophobicContact CG-CG 3.69Å
114K88.9Confident87.4Confident150 Ų15055.4 Ų55.465%0.65229%0.288SS*.Hα-helixtrans-68-39.6178.9-62.3-175.7-179-175.30111.9L112 K118L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.95Å; K114-K118 PolarHBondContact O-N 2.92Å; K114-K118 VanDerWaalsContact O-N 3.09Å
115R87.9Confident86.2Confident36 Ų3658.8 Ų58.814%0.13631%0.309CS..Hα-helixtrans-67-43.5-179.9-163.2-173.9-57.8160.83112.1E75 H111 L112 K118 I119E75-R115 VanDerWaalsContact CD-NH1 3.32Å; E75-R115 IonicContact OE1-CZ 3.62Å; E75-R115 IonicContact OE1-NH1 2.68Å; E75-R115 PolarHBondContact OE1-NH1 3.47Å; E75-R115 IonicContact OE1-NH2 3.64Å; E75-R115 PolarHBondContact OE1-NH2 3.2Å; E75-R115 IonicContact OE2-CZ 3.15Å; E75-R115 IonicContact OE2-NH1 2.96Å; E75-R115 PolarHBondContact OE2-NH1 2.95Å; E75-R115 IonicContact OE2-NH2 3.28Å; H111-R115 WeakPolarHBondContact O-CB 3.47Å; H111-R115 PolarHBondContact O-N 3.39Å; H111-R115 VanDerWaalsContact O-N 3.09Å; L112-R115 PolarHBondContact O-N 3.22Å; L112-R115 VanDerWaalsContact O-N 3.15Å; R115-K118 PolarHBondContact O-N 2.97Å; R115-I119 HydrophobicContact CG-CD1 4.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.48Å; R115-I119 PolarHBondContact O-N 3Å
116L86.6Confident85Confident1 Ų155.6 Ų55.61%0.00530%0.295CS..Hα-helixtrans-62.8-45.2176.8-72.4167.4000111.3W108 L112 K118 I119 G120 I121 P123W108-L116 HydrophobicContact CH2-CD1 3.69Å; W108-L116 HydrophobicContact CZ3-CD1 4.03Å; L112-L116 WeakPolarHBondContact O-CG 3.12Å; L112-L116 PolarHBondContact O-N 2.89Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; L116-I119 PolarHBondContact O-N 2.96Å; L116-G120 PolarHBondContact O-N 3.49Å; L116-I121 CarbonylContact C-O 3.18Å; L116-I121 HydrophobicContact CB-CB 4.48Å; L116-I121 HydrophobicContact CD2-CB 4.25Å; L116-I121 HydrophobicContact CD2-CD1 4.35Å; L116-I121 HydrophobicContact CD2-CG2 4.22Å; L116-I121 PolarHBondContact O-N 3.08Å; L116-I121 VanDerWaalsContact O-O 3.08Å; L116-P123 HydrophobicContact CB-CB 4.37Å; L116-P123 HydrophobicContact CD1-CB 4.26Å
117A84Confident83.8Confident61 Ų6158.1 Ų58.150%0.50430%0.301SS..Hα-helixtrans-58.7-41.117600000112.3K113 I119 G120K113-A117 PolarHBondContact O-N 3.39Å; A117-I119 VanDerWaalsContact C-N 3.26Å; A117-I119 PolarHBondContact O-N 3.42Å; A117-G120 PolarHBondContact O-N 3.39Å; A117-G120 VanDerWaalsContact O-N 3.07Å
118K83.7Confident82.3Confident143 Ų14360.1 Ų60.162%0.62232%0.317SS*.Hα-helixtrans-62-32.7176-169.3-174.3-179.5-167.70112.8K114 R115 L116 G120 E346K114-K118 PolarHBondContact O-N 2.92Å; K114-K118 VanDerWaalsContact O-N 3.09Å; R115-K118 PolarHBondContact O-N 2.97Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; K118-G120 VanDerWaalsContact C-N 3.26Å; K118-E346 IonicContact NZ-OE1 2.69Å; K118-E346 PolarHBondContact NZ-OE1 3.29Å
119I79.1Confident80.4Confident42 Ų4264.8 Ų64.822%0.21535%0.347CS..Hα-helixtrans-81.3-10.1179.2-63165000111.3R115 L116 A117 I121 R342 V343R115-I119 HydrophobicContact CG-CD1 4.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.48Å; R115-I119 PolarHBondContact O-N 3Å; L116-I119 PolarHBondContact O-N 2.96Å; A117-I119 VanDerWaalsContact C-N 3.26Å; A117-I119 PolarHBondContact O-N 3.42Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 4.22Å; I119-R342 HydrophobicContact CG2-CG 3.65Å; I119-V343 HydrophobicContact CD1-CB 4.34Å; I119-V343 HydrophobicContact CD1-CG2 3.59Å
120G75.7Confident78.2Confident29 Ų2965.7 Ų65.730%0.29936%0.358SS..THydrogen-bonded Turntrans84.519.4-176.300000113.3L116 A117 K118 T129L116-G120 PolarHBondContact O-N 3.49Å; A117-G120 PolarHBondContact O-N 3.39Å; A117-G120 VanDerWaalsContact O-N 3.07Å; K118-G120 VanDerWaalsContact C-N 3.26Å; G120-T129 VanDerWaalsContact O-CB 3.24Å; G120-T129 WeakPolarHBondContact O-CB 3.24Å; G120-T129 PolarHBondContact O-N 2.95Å; G120-T129 PolarHBondContact O-OG1 3.26Å; G120-T129 VanDerWaalsContact O-OG1 3.06Å
121I78.9Confident75.8Confident5 Ų567 Ų673%0.02638%0.382CS..BIsolated β-bridgetrans-101.4126173.4-59.9171.6000107.7L116 I119 P123 V339L116-I121 CarbonylContact C-O 3.18Å; L116-I121 HydrophobicContact CB-CB 4.48Å; L116-I121 HydrophobicContact CD2-CB 4.25Å; L116-I121 HydrophobicContact CD2-CD1 4.35Å; L116-I121 HydrophobicContact CD2-CG2 4.22Å; L116-I121 PolarHBondContact O-N 3.08Å; L116-I121 VanDerWaalsContact O-O 3.08Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 4.22Å; I121-P123 WeakPolarHBondContact O-CD 3.29Å; I121-V339 HydrophobicContact CD1-CG1 3.83Å; I121-V339 HydrophobicContact CD1-CG2 4.25Å
122D78.9Confident73.2Confident52 Ų5267.2 Ų67.228%0.27839%0.39SS..  trans-66.2120.9174.216918.5000109.4V124 T125 H126 K127D122-V124 PolarHBondContact O-N 3.06Å; D122-V124 PolarHBondContact OD1-N 2.87Å; D122-T125 WeakPolarHBondContact CB-OG1 3.48Å; D122-T125 WeakPolarHBondContact OD2-CB 3.32Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.36Å; D122-T125 PolarHBondContact OD2-N 3.24Å; D122-T125 PolarHBondContact OD2-OG1 3.3Å; D122-H126 WeakPolarHBondContact O-CA 3.35Å; D122-H126 PolarHBondContact O-N 3.36Å; D122-K127 PolarHBondContact N-O 3.05Å
123P76.1Confident70.9Confident15 Ų1574.8 Ų74.810%0.09743%0.43CS..THydrogen-bonded Turntrans-64.4-21.3-177.426.7-36.9000114W108 K113 L116 I121 H126W108-P123 WeakPolarHBondContact CH2-O 3.3Å; W108-P123 HydrophobicContact CZ2-CB 4.08Å; W108-P123 VanDerWaalsContact CZ2-O 3.24Å; W108-P123 WeakPolarHBondContact CZ2-O 3.45Å; K113-P123 HydrophobicContact CB-CB 4.39Å; K113-P123 HydrophobicContact CG-CB 3.75Å; K113-P123 HydrophobicContact CG-CG 3.69Å; L116-P123 HydrophobicContact CB-CB 4.37Å; L116-P123 HydrophobicContact CD1-CB 4.26Å; I121-P123 WeakPolarHBondContact O-CD 3.29Å; P123-H126 PolarHBondContact O-CD2 3.08Å; P123-H126 PolarHBondContact O-NE2 2.79Å
124V72.4Confident68.8Low106 Ų10675.4 Ų75.464%0.64244%0.443SS*.THydrogen-bonded Turntrans-85.6-50.4179.8-178.60000110.4D122D122-V124 PolarHBondContact O-N 3.06Å; D122-V124 PolarHBondContact OD1-N 2.87Å
125T72.7Confident66.5Low72 Ų7271.5 Ų71.544%0.44244%0.444SS..THydrogen-bonded Turntrans-89.7-13.4-175.763.30000114.1D122 K127D122-T125 WeakPolarHBondContact CB-OG1 3.48Å; D122-T125 WeakPolarHBondContact OD2-CB 3.32Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.36Å; D122-T125 PolarHBondContact OD2-N 3.24Å; D122-T125 PolarHBondContact OD2-OG1 3.3Å; T125-K127 PolarHBondContact O-N 2.93Å; T125-K127 VanDerWaalsContact O-N 3.15Å
126H70.3Confident64.7Low10 Ų1076.6 Ų76.65%0.04648%0.48CS..  trans54.824.1-173.4-68.2-97.6000113.6I79 H82 A83 W108 D122 P123 Y335 W336I79-H126 PolarHBondContact O-CE1 2.8Å; H82-H126 AromaticContact CE1-NE2 3.95Å; H82-H126 AromaticContact ND1-CD2 3.97Å; H82-H126 AromaticContact ND1-NE2 3.1Å; H82-H126 PolarHBondContact ND1-NE2 2.93Å; A83-H126 HydrophobicContact CB-CB 3.97Å; W108-H126 AromaticContact CH2-CE1 3.53Å; W108-H126 AromaticContact CH2-NE2 3.51Å; D122-H126 WeakPolarHBondContact O-CA 3.35Å; D122-H126 PolarHBondContact O-N 3.36Å; P123-H126 PolarHBondContact O-CD2 3.08Å; P123-H126 PolarHBondContact O-NE2 2.79Å; H126-Y335 PolarHBondContact O-OH 3.15Å; H126-W336 HydrophobicContact CB-CH2 4.41Å
127K70Confident63.2Low144 Ų14480.1 Ų80.163%0.62650%0.501SS*.  trans-94.6138.9176.7-64.2-179.7-177.8-1780109.9D122 T125 T129D122-K127 PolarHBondContact N-O 3.05Å; T125-K127 PolarHBondContact O-N 2.93Å; T125-K127 VanDerWaalsContact O-N 3.15Å; K127-T129 PolarHBondContact O-N 3.38Å
128S64.4Low62.1Low59 Ų5983.9 Ų83.941%0.41351%0.513SS..BIsolated β-bridgetrans-63.9127.4169.6-178.40000109.3C130S128-C130 PolarHBondContact O-N 3.2Å; S128-C130 PolarHBondContact OG-N 3.43Å
129T57.2Low61Low107 Ų10783.4 Ų83.466%0.65652%0.518SS*.  trans-80.5-4.5178.2-49.40000111.4G120 K127 G131G120-T129 VanDerWaalsContact O-CB 3.24Å; G120-T129 WeakPolarHBondContact O-CB 3.24Å; G120-T129 PolarHBondContact O-N 2.95Å; G120-T129 PolarHBondContact O-OG1 3.26Å; G120-T129 VanDerWaalsContact O-OG1 3.06Å; K127-T129 PolarHBondContact O-N 3.38Å; T129-G131 PolarHBondContact O-N 2.97Å
130C47.3Very low59.8Low92 Ų9289.3 Ų89.362%0.62254%0.537SS*.  trans-87.8102.1-179.4-163.90000111.9S128 T132S128-C130 PolarHBondContact O-N 3.2Å; S128-C130 PolarHBondContact OG-N 3.43Å; C130-T132 VanDerWaalsContact C-N 3.25Å; C130-T132 PolarHBondContact O-N 2.94Å
131G42Very low59.3Low80 Ų8091.7 Ų91.783%0.82555%0.549SS*.  trans-76.153.3178.500000114.9T129T129-G131 PolarHBondContact O-N 2.97Å
132T39.7Very low58.9Low103 Ų10394.1 Ų94.163%0.63257%0.57SS**  trans-147.3115.7177.6-480000111.5C130C130-T132 VanDerWaalsContact C-N 3.25Å; C130-T132 PolarHBondContact O-N 2.94Å
133L42.5Very low58.6Low158 Ų15899 Ų9983%0.82759%0.589SS**  trans87.375.5163.3-42179.7000119.3
134T46.9Very low58.1Low119 Ų11999.2 Ų99.273%0.7359%0.592SS**  trans-154.480.5132.752.90000109.6
135G40.6Very low58Low67 Ų6796.8 Ų96.869%0.69158%0.583SS**  trans-70.3135155.500000108
136T49.3Very low58.1Low143 Ų14396.2 Ų96.288%0.87759%0.586SS**SBendtrans102.535.5173.473.60000120.4
137T55.4Low58.5Low75 Ų7598.4 Ų98.446%0.4660%0.602SS.*  trans-146.725168.655.30000117.2D139 R140 S141T137-D139 VanDerWaalsContact C-N 3.32Å; T137-D139 PolarHBondContact O-N 3.47Å; T137-D139 VanDerWaalsContact O-N 3.12Å; T137-R140 PolarHBondContact O-N 3.2Å; T137-R140 VanDerWaalsContact O-N 3.14Å; T137-S141 PolarHBondContact O-N 3.44Å
138N61.7Low58.5Low140 Ų14093.8 Ų93.875%0.74958%0.584SS**Hα-helixtrans-55.6-36-170.7-71.51.7000115.4A142N138-A142 PolarHBondContact O-N 2.9Å
139D59.4Low59.2Low134 Ų13493.7 Ų93.772%0.71758%0.583SS**Hα-helixtrans-75.3-26.6-178.4-77.6-12.8000114.2T137 K143T137-D139 VanDerWaalsContact C-N 3.32Å; T137-D139 PolarHBondContact O-N 3.47Å; T137-D139 VanDerWaalsContact O-N 3.12Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 2.91Å
140R53.6Low60.4Low165 Ų16593.4 Ų93.462%0.62358%0.575SS**Hα-helixtrans-88.1-37.8-176.5-66.7-170.5-166-168.64.7112.5T137 A142 K143 A144T137-R140 PolarHBondContact O-N 3.2Å; T137-R140 VanDerWaalsContact O-N 3.14Å; R140-A142 PolarHBondContact O-N 3.16Å; R140-K143 PolarHBondContact O-N 3.18Å; R140-K143 VanDerWaalsContact O-N 3.11Å; R140-A144 PolarHBondContact O-N 2.92Å
141S65.2Low61.9Low79 Ų7993.8 Ų93.855%0.55257%0.568SS**Hα-helixtrans-59.5-36.6170.5-178.20000111.2T137 A144 A145T137-S141 PolarHBondContact O-N 3.44Å; S141-A144 PolarHBondContact O-N 2.93Å; S141-A145 VanDerWaalsContact O-CB 3.31Å; S141-A145 WeakPolarHBondContact O-CB 3.33Å; S141-A145 PolarHBondContact O-N 3.15Å
142A71.1Confident63.9Low57 Ų5790.7 Ų90.747%0.47154%0.535SS..Hα-helixtrans-63.9-40.9173.700000112.7N138 R140 A145 A146N138-A142 PolarHBondContact O-N 2.9Å; R140-A142 PolarHBondContact O-N 3.16Å; A142-A145 PolarHBondContact O-N 2.98Å; A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 3.27Å
143K73.1Confident66.1Low153 Ų15391.4 Ų91.467%0.66553%0.531SS*.Hα-helixtrans-67.5-42.1176.8-73.2178.5-178.2177.90112.8D139 R140 A146 S147D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 2.91Å; R140-K143 PolarHBondContact O-N 3.18Å; R140-K143 VanDerWaalsContact O-N 3.11Å; K143-A146 PolarHBondContact O-N 2.83Å; K143-S147 PolarHBondContact O-N 3.24Å
144A65.3Low68.2Low20 Ų2091.5 Ų91.517%0.16552%0.52CS..Hα-helixtrans-61.3-47173.600000111.1R140 S141 A146 S147 L148 D332R140-A144 PolarHBondContact O-N 2.92Å; S141-A144 PolarHBondContact O-N 2.93Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.47Å; A144-S147 PolarHBondContact O-N 2.8Å; A144-L148 VanDerWaalsContact O-CG 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.44Å; A144-L148 PolarHBondContact O-N 2.82Å; A144-D332 VanDerWaalsContact CB-OD1 3.31Å; A144-D332 WeakPolarHBondContact CB-OD1 2.92Å
145A70.1Confident70.1Confident56 Ų5688.1 Ų88.146%0.46350%0.497SS..Hα-helixtrans-59.3-39.6174.300000112.3S141 A142 S149S141-A145 VanDerWaalsContact O-CB 3.31Å; S141-A145 WeakPolarHBondContact O-CB 3.33Å; S141-A145 PolarHBondContact O-N 3.15Å; A142-A145 PolarHBondContact O-N 2.98Å; A145-S149 VanDerWaalsContact O-CB 3.23Å; A145-S149 WeakPolarHBondContact O-CB 3.47Å; A145-S149 PolarHBondContact O-N 3.4Å
146A75.8Confident72.2Confident59 Ų5986.9 Ų86.949%0.48847%0.474SS..Hα-helixtrans-66.2-42175.600000112.4A142 K143 A144 S149 H150A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 3.27Å; K143-A146 PolarHBondContact O-N 2.83Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.47Å; A146-S149 PolarHBondContact O-N 2.79Å; A146-H150 VanDerWaalsContact O-CB 3.31Å; A146-H150 WeakPolarHBondContact O-CB 3.34Å; A146-H150 PolarHBondContact O-N 3.11Å
147S77.2Confident74.2Confident56 Ų5682.6 Ų82.639%0.39245%0.453SS..Hα-helixtrans-61.8-47.4175.7-173.60000111.6K143 A144 H150 M151K143-S147 PolarHBondContact O-N 3.24Å; A144-S147 PolarHBondContact O-N 2.8Å; S147-H150 WeakPolarHBondContact O-CB 3.43Å; S147-H150 PolarHBondContact O-N 3.33Å; S147-M151 PolarHBondContact O-N 2.84Å
148L71.2Confident75.9Confident47 Ų4783 Ų8325%0.24645%0.446CS..Hα-helixtrans-63.5-42.2176.6-66.2170.5000111.6L84 A144 M151 A152L84-L148 HydrophobicContact CD2-CB 3.77Å; L84-L148 HydrophobicContact CD2-CD2 3.75Å; L84-L148 HydrophobicContact CD2-CG 4.3Å; A144-L148 VanDerWaalsContact O-CG 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.44Å; A144-L148 PolarHBondContact O-N 2.82Å; L148-M151 PolarHBondContact O-N 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.15Å
149S79Confident77.1Confident57 Ų5778 Ų7840%0.39942%0.419SS..Hα-helixtrans-60.9-44.2174177.60000111.5A145 A146 A152 Q153A145-S149 VanDerWaalsContact O-CB 3.23Å; A145-S149 WeakPolarHBondContact O-CB 3.47Å; A145-S149 PolarHBondContact O-N 3.4Å; A146-S149 PolarHBondContact O-N 2.79Å; S149-A152 PolarHBondContact O-N 2.82Å; S149-Q153 VanDerWaalsContact O-CG 3.26Å; S149-Q153 WeakPolarHBondContact O-CG 3.28Å; S149-Q153 PolarHBondContact O-N 3.3Å; S149-Q153 PolarHBondContact OG-NE2 3.09Å
150H81.7Confident78.6Confident102 Ų10276.4 Ų76.447%0.47241%0.407SS..Hα-helixtrans-60.6-48.8176.5-179.7-108.3000110.6A146 S147 A152 Q153 W154A146-H150 VanDerWaalsContact O-CB 3.31Å; A146-H150 WeakPolarHBondContact O-CB 3.34Å; A146-H150 PolarHBondContact O-N 3.11Å; S147-H150 WeakPolarHBondContact O-CB 3.43Å; S147-H150 PolarHBondContact O-N 3.33Å; H150-A152 VanDerWaalsContact C-N 3.35Å; H150-A152 PolarHBondContact O-N 3.12Å; H150-Q153 WeakPolarHBondContact O-CB 3.47Å; H150-Q153 PolarHBondContact O-N 3.12Å; H150-Q153 VanDerWaalsContact O-N 3.1Å; H150-W154 AromaticContact CD2-CD1 3.95Å; H150-W154 AromaticContact CD2-NE1 3.37Å; H150-W154 PolarHBondContact CD2-NE1 3.21Å; H150-W154 AromaticContact CE1-CD1 3.53Å; H150-W154 AromaticContact CE1-CE2 3.95Å; H150-W154 AromaticContact CE1-NE1 2.9Å; H150-W154 PolarHBondContact CE1-NE1 3.32Å; H150-W154 AromaticContact CG-CD1 3.83Å; H150-W154 AromaticContact CG-NE1 3.68Å; H150-W154 AromaticContact ND1-CD1 3.53Å; H150-W154 AromaticContact ND1-NE1 3.38Å; H150-W154 PolarHBondContact ND1-NE1 3.33Å; H150-W154 AromaticContact NE2-CD1 3.77Å; H150-W154 AromaticContact NE2-CE2 3.81Å; H150-W154 AromaticContact NE2-NE1 2.86Å; H150-W154 PolarHBondContact NE2-NE1 3.45Å; H150-W154 PolarHBondContact O-N 3.09Å
151M80Confident80.5Confident99 Ų9970.8 Ų70.849%0.48840%0.396SS..Hα-helixtrans-56.4-46175.1-73.7-176.764.700112.7S147 L148 Q153 W154 E155S147-M151 PolarHBondContact O-N 2.84Å; L148-M151 PolarHBondContact O-N 3.22Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 PolarHBondContact O-N 3.48Å; M151-W154 PolarHBondContact O-N 3.16Å; M151-E155 PolarHBondContact O-N 3.31Å
152A83.1Confident81.7Confident15 Ų1571.4 Ų71.412%0.12439%0.39CS..Hα-helixtrans-61.9-37.817700000112L84 L148 S149 H150 N156L84-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.15Å; S149-A152 PolarHBondContact O-N 2.82Å; H150-A152 VanDerWaalsContact C-N 3.35Å; H150-A152 PolarHBondContact O-N 3.12Å; A152-N156 WeakPolarHBondContact O-CB 3.32Å; A152-N156 PolarHBondContact O-N 3.17Å; A152-N156 PolarHBondContact O-ND2 2.95Å
153Q86.4Confident82.6Confident118 Ų11871.2 Ų71.255%0.55139%0.389SS*.Hα-helixtrans-63.2-43.5174.1-72.4170.114.300111.7S149 H150 M151 N156 A157S149-Q153 VanDerWaalsContact O-CG 3.26Å; S149-Q153 WeakPolarHBondContact O-CG 3.28Å; S149-Q153 PolarHBondContact O-N 3.3Å; S149-Q153 PolarHBondContact OG-NE2 3.09Å; H150-Q153 WeakPolarHBondContact O-CB 3.47Å; H150-Q153 PolarHBondContact O-N 3.12Å; H150-Q153 VanDerWaalsContact O-N 3.1Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 PolarHBondContact O-N 3.48Å; Q153-N156 PolarHBondContact O-N 2.81Å; Q153-A157 WeakPolarHBondContact O-CB 3.37Å; Q153-A157 PolarHBondContact O-N 2.92Å
154W87.3Confident83.6Confident160 Ų16071.1 Ų71.161%0.60638%0.384SS*.Hα-helixtrans-63.3-43176.3-75.4102.3000112.9H150 M151 A157 R158H150-W154 AromaticContact CD2-CD1 3.95Å; H150-W154 AromaticContact CD2-NE1 3.37Å; H150-W154 PolarHBondContact CD2-NE1 3.21Å; H150-W154 AromaticContact CE1-CD1 3.53Å; H150-W154 AromaticContact CE1-CE2 3.95Å; H150-W154 AromaticContact CE1-NE1 2.9Å; H150-W154 PolarHBondContact CE1-NE1 3.32Å; H150-W154 AromaticContact CG-CD1 3.83Å; H150-W154 AromaticContact CG-NE1 3.68Å; H150-W154 AromaticContact ND1-CD1 3.53Å; H150-W154 AromaticContact ND1-NE1 3.38Å; H150-W154 PolarHBondContact ND1-NE1 3.33Å; H150-W154 AromaticContact NE2-CD1 3.77Å; H150-W154 AromaticContact NE2-CE2 3.81Å; H150-W154 AromaticContact NE2-NE1 2.86Å; H150-W154 PolarHBondContact NE2-NE1 3.45Å; H150-W154 PolarHBondContact O-N 3.09Å; M151-W154 PolarHBondContact O-N 3.16Å; W154-A157 PolarHBondContact O-N 3.12Å; W154-R158 WeakPolarHBondContact O-CB 3.17Å; W154-R158 PolarHBondContact O-N 3.1Å
155E85.3Confident84.9Confident49 Ų4975.4 Ų75.423%0.22940%0.404CS..Hα-helixtrans-64.4-41176.3-77.8-61.3153.700111.8L85 M151 R158 L159L85-E155 HydrophobicContact CD2-CB 3.53Å; L85-E155 HydrophobicContact CD2-CG 4.11Å; M151-E155 PolarHBondContact O-N 3.31Å; E155-R158 PolarHBondContact O-N 3.35Å; E155-R158 IonicContact OE1-NE 2.93Å; E155-R158 IonicContact OE2-CZ 3.75Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 2.79Å; E155-R158 PolarHBondContact OE2-NE 3.35Å; E155-R158 IonicContact OE2-NH2 3.32Å; E155-R158 PolarHBondContact OE2-NH2 3Å; E155-L159 WeakPolarHBondContact O-CB 3.46Å; E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 2.75Å
156N85.5Confident85.7Confident41 Ų4175.6 Ų75.622%0.21941%0.406CS..Hα-helixtrans-62-45.8173.8-76.4-54.2000111.7R88 A152 Q153 R158 L159 E160R88-N156 PolarHBondContact NE-OD1 3.04Å; R88-N156 VanDerWaalsContact NE-OD1 3.14Å; R88-N156 PolarHBondContact NH2-OD1 3.3Å; R88-N156 VanDerWaalsContact NH2-OD1 3.15Å; A152-N156 WeakPolarHBondContact O-CB 3.32Å; A152-N156 PolarHBondContact O-N 3.17Å; A152-N156 PolarHBondContact O-ND2 2.95Å; Q153-N156 PolarHBondContact O-N 2.81Å; N156-R158 PolarHBondContact O-N 3.32Å; N156-L159 PolarHBondContact O-N 2.9Å; N156-E160 WeakPolarHBondContact O-CG 3.37Å; N156-E160 PolarHBondContact O-N 3.4Å
157A91.5Very high86.2Confident52 Ų5282.2 Ų82.243%0.4342%0.418SS..Hα-helixtrans-61.9-41.4177.700000112.2Q153 W154 E160 A161Q153-A157 WeakPolarHBondContact O-CB 3.37Å; Q153-A157 PolarHBondContact O-N 2.92Å; W154-A157 PolarHBondContact O-N 3.12Å; A157-E160 PolarHBondContact O-N 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.46Å; A157-A161 PolarHBondContact O-N 3.44Å
158R91.5Very high86.6Confident84 Ų8484.7 Ų84.732%0.31742%0.423SS..Hα-helixtrans-59.5-51.3174.7-177.1-177.271.898.9-11111.2W154 E155 N156 E160 A161 E162W154-R158 WeakPolarHBondContact O-CB 3.17Å; W154-R158 PolarHBondContact O-N 3.1Å; E155-R158 PolarHBondContact O-N 3.35Å; E155-R158 IonicContact OE1-NE 2.93Å; E155-R158 IonicContact OE2-CZ 3.75Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 2.79Å; E155-R158 PolarHBondContact OE2-NE 3.35Å; E155-R158 IonicContact OE2-NH2 3.32Å; E155-R158 PolarHBondContact OE2-NH2 3Å; N156-R158 PolarHBondContact O-N 3.32Å; R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 PolarHBondContact O-N 3.1Å; R158-A161 WeakPolarHBondContact O-CB 3.28Å; R158-A161 PolarHBondContact O-N 3.06Å; R158-A161 VanDerWaalsContact O-N 3.16Å; R158-E162 IonicContact CZ-OE1 2.79Å; R158-E162 IonicContact NH1-OE1 3.05Å; R158-E162 PolarHBondContact NH1-OE1 2.79Å; R158-E162 IonicContact NH1-OE2 3.25Å; R158-E162 WeakPolarHBondContact O-CG 3.35Å; R158-E162 PolarHBondContact O-N 2.77Å
159L86Confident87.2Confident35 Ų3585.7 Ų85.718%0.18343%0.434CS..Hα-helixtrans-62-37179.7-70.8169.5000112.1A91 E155 N156 A163A91-L159 HydrophobicContact CB-CD1 3.61Å; A91-L159 HydrophobicContact CB-CD2 4.05Å; A91-L159 HydrophobicContact CB-CG 4.44Å; E155-L159 WeakPolarHBondContact O-CB 3.46Å; E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 2.75Å; N156-L159 PolarHBondContact O-N 2.9Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.18Å
160E90.9Very high87Confident101 Ų10189 Ų8947%0.47244%0.441SS..Hα-helixtrans-65.4-42.8173.7-77.7-172.9-160.500112.5N156 A157 R158 A163 R164N156-E160 WeakPolarHBondContact O-CG 3.37Å; N156-E160 PolarHBondContact O-N 3.4Å; A157-E160 PolarHBondContact O-N 3.26Å; R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 PolarHBondContact O-N 3.1Å; E160-A163 PolarHBondContact O-N 3.48Å; E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.45Å; E160-R164 IonicContact OE2-NH2 3.42Å; E160-R164 PolarHBondContact OE2-NH2 3.01Å; E160-R164 VanDerWaalsContact OE2-NH2 3.15Å
161A93Very high86.5Confident47 Ų4788.4 Ų88.439%0.38845%0.445SS..Hα-helixtrans-61.7-45175.800000111.3A157 R158 A163 R164 L165A157-A161 WeakPolarHBondContact O-CB 3.46Å; A157-A161 PolarHBondContact O-N 3.44Å; R158-A161 WeakPolarHBondContact O-CB 3.28Å; R158-A161 PolarHBondContact O-N 3.06Å; R158-A161 VanDerWaalsContact O-N 3.16Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 2.87Å; A161-R164 PolarHBondContact O-N 3.5Å; A161-L165 WeakPolarHBondContact O-CG 3.34Å; A161-L165 PolarHBondContact O-N 3.33Å
162E91.7Very high85.8Confident92 Ų9293.9 Ų93.943%0.4346%0.46SS..Hα-helixtrans-59.4-43.1174-72.4178.4-171.200111.8R158 R164 L165 A166R158-E162 IonicContact CZ-OE1 2.79Å; R158-E162 IonicContact NH1-OE1 3.05Å; R158-E162 PolarHBondContact NH1-OE1 2.79Å; R158-E162 IonicContact NH1-OE2 3.25Å; R158-E162 WeakPolarHBondContact O-CG 3.35Å; R158-E162 PolarHBondContact O-N 2.77Å; E162-R164 PolarHBondContact O-N 2.7Å; E162-L165 PolarHBondContact O-N 3.5Å; E162-A166 WeakPolarHBondContact O-CB 3.43Å; E162-A166 PolarHBondContact O-N 2.99Å
163A90Very high84.8Confident53 Ų5399.2 Ų99.244%0.43849%0.492SS..Hα-helixtrans-64.1-37.6176.400000112.5L159 E160 A161 R167L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.18Å; E160-A163 PolarHBondContact O-N 3.48Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 2.87Å; A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.46Å
164R93.9Very high83.5Confident150 Ų15097 Ų9757%0.56649%0.493SS*.Hα-helixtrans-65.7-49.4175-70.7172.4-163.2-179.68111E160 A161 E162 A166 R167 E168E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.45Å; E160-R164 IonicContact OE2-NH2 3.42Å; E160-R164 PolarHBondContact OE2-NH2 3.01Å; E160-R164 VanDerWaalsContact OE2-NH2 3.15Å; A161-R164 PolarHBondContact O-N 3.5Å; E162-R164 PolarHBondContact O-N 2.7Å; R164-A166 VanDerWaalsContact C-N 3.29Å; R164-A166 PolarHBondContact O-N 2.67Å; R164-R167 WeakPolarHBondContact O-CA 3.45Å; R164-R167 WeakPolarHBondContact O-CB 3.48Å; R164-R167 PolarHBondContact O-N 2.78Å; R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 3.31Å
165L91.5Very high81.9Confident110 Ų11094.5 Ų94.558%0.57650%0.496SS*.Hα-helixtrans-59.3-38.3176.2-71.4172.2000112.3A161 E162 R167 E168 S169A161-L165 WeakPolarHBondContact O-CG 3.34Å; A161-L165 PolarHBondContact O-N 3.33Å; E162-L165 PolarHBondContact O-N 3.5Å; L165-R167 VanDerWaalsContact C-N 3.27Å; L165-R167 PolarHBondContact O-N 3.42Å; L165-E168 PolarHBondContact O-N 2.85Å; L165-S169 WeakPolarHBondContact O-CB 3.41Å; L165-S169 PolarHBondContact O-N 3.4Å; L165-S169 PolarHBondContact O-OG 2.96Å
166A87.8Confident80.4Confident61 Ų6197.2 Ų97.250%0.50452%0.518SS..Hα-helixtrans-65.7-28.1174.800000113.2E162 R164 S169E162-A166 WeakPolarHBondContact O-CB 3.43Å; E162-A166 PolarHBondContact O-N 2.99Å; R164-A166 VanDerWaalsContact C-N 3.29Å; R164-A166 PolarHBondContact O-N 2.67Å; A166-S169 WeakPolarHBondContact CA-OG 3.48Å; A166-S169 PolarHBondContact O-OG 3.45Å
167R86.1Confident78.7Confident198 Ų198101.1 Ų101.175%0.74754%0.543SS*.Hα-helixtrans-79.7-43.3173.9-67.7175.183.6178.95.1111.4A163 R164 L165 K170 T171A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.46Å; R164-R167 WeakPolarHBondContact O-CA 3.45Å; R164-R167 WeakPolarHBondContact O-CB 3.48Å; R164-R167 PolarHBondContact O-N 2.78Å; L165-R167 VanDerWaalsContact C-N 3.27Å; L165-R167 PolarHBondContact O-N 3.42Å; R167-K170 WeakPolarHBondContact O-CB 3.22Å; R167-K170 PolarHBondContact O-N 3.08Å; R167-T171 PolarHBondContact O-N 2.87Å
168E85.6Confident77Confident107 Ų107104.2 Ų104.250%0.556%0.559SS.*Hα-helixtrans-67.3-40.8-179.8-70.9172.9-169.500113R164 L165 K170 T171 R172R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 3.31Å; L165-E168 PolarHBondContact O-N 2.85Å; E168-K170 PolarHBondContact O-N 3.48Å; E168-T171 PolarHBondContact O-N 3.11Å; E168-T171 PolarHBondContact O-OG1 3.24Å; E168-R172 PolarHBondContact O-N 2.9Å
169S82.8Confident74.6Confident68 Ų68106 Ų10648%0.47658%0.584SS.*Hα-helixtrans-58.2-35.417351.40000111.7L165 A166 T173L165-S169 WeakPolarHBondContact O-CB 3.41Å; L165-S169 PolarHBondContact O-N 3.4Å; L165-S169 PolarHBondContact O-OG 2.96Å; A166-S169 WeakPolarHBondContact CA-OG 3.48Å; A166-S169 PolarHBondContact O-OG 3.45Å; S169-T173 PolarHBondContact O-N 3.47Å; S169-T173 PolarHBondContact O-OG1 2.91Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å
170K76Confident72.7Confident126 Ų126108.5 Ų108.555%0.54861%0.61SS.*Hα-helixtrans-76.2-27179.3-160.9163-173.2158.80113.7R167 E168R167-K170 WeakPolarHBondContact O-CB 3.22Å; R167-K170 PolarHBondContact O-N 3.08Å; E168-K170 PolarHBondContact O-N 3.48Å
171T70.7Confident70.2Confident91 Ų91112.2 Ų112.256%0.55863%0.632SS**Hα-helixtrans-81.1-36.1174.955.30000111.8R167 E168 T173 A174R167-T171 PolarHBondContact O-N 2.87Å; E168-T171 PolarHBondContact O-N 3.11Å; E168-T171 PolarHBondContact O-OG1 3.24Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 3.42Å; T171-A174 PolarHBondContact O-N 2.93Å
172R64.9Low68.4Low213 Ų213117.5 Ų117.580%0.80465%0.649SS**Hα-helixtrans-61.6-33.4175.6-77.6-175.8161.1-173.2-4113.4E168 A174 T175E168-R172 PolarHBondContact O-N 2.9Å; R172-A174 PolarHBondContact O-N 3.33Å; R172-T175 PolarHBondContact O-OG1 3.04Å
173T62.1Low65.9Low128 Ų128117.5 Ų117.579%0.78566%0.664SS**THydrogen-bonded Turntrans-74.7-14.4173.7-430000113S169 T171S169-T173 PolarHBondContact O-N 3.47Å; S169-T173 PolarHBondContact O-OG1 2.91Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 3.42Å
174A59.4Low63.9Low70 Ų70122.2 Ų122.258%0.57968%0.677SS**THydrogen-bonded Turntrans-102.53.2-172.800000114.2T171 R172 P176T171-A174 PolarHBondContact O-N 2.93Å; R172-A174 PolarHBondContact O-N 3.33Å; A174-P176 WeakPolarHBondContact O-CD 3.47Å
175T53.3Low61.2Low108 Ų108120.2 Ų120.266%0.66368%0.684SS**  trans-68.4111.6176.5-34.30000109.4R172 T177R172-T175 PolarHBondContact O-OG1 3.04Å; T175-T177 PolarHBondContact O-N 3.31Å
176P53.8Low59.3Low106 Ų106123.8 Ų123.869%0.68870%0.7SS**  trans-74.4123.9174.830.6-27.8000108.1A174 P178A174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-P178 WeakPolarHBondContact O-CD 3.5Å
177T51.2Low57Low124 Ų124127.7 Ų127.776%0.76171%0.712SS**  trans-52.2123.7168.9-36.10000108.8T175 S179T175-T177 PolarHBondContact O-N 3.31Å; T177-S179 PolarHBondContact O-N 3.34Å
178P53.8Low55.1Low116 Ų116126 Ų12675%0.75372%0.717SS**  trans-72.4102.2170.328.3-29.2000107.6P176 A180P176-P178 WeakPolarHBondContact O-CD 3.5Å; P178-A180 PolarHBondContact O-N 3.47Å
179S41.4Very low53Low121 Ų121126 Ų12685%0.84673%0.726SS**  trans-67.883.9162.4-68.50000108.5T177T177-S179 PolarHBondContact O-N 3.34Å
180A46.3Very low50.8Low88 Ų88127.7 Ų127.773%0.72775%0.745SS**  trans-102104.4163.900000108.1P178 H182P178-A180 PolarHBondContact O-N 3.47Å; A180-H182 PolarHBondContact O-N 3.46Å
181L39.7Very low49.3Very low179 Ų179127.3 Ų127.394%0.93776%0.758SS**  trans-62.1105.2167.2-67.3161.4000108.9
182H53.7Low47.8Very low159 Ų159127.8 Ų127.874%0.73677%0.771SS**  trans-153.3103.9154-157.667.8000110.1A180A180-H182 PolarHBondContact O-N 3.46Å
183A39.3Very low46.7Very low92 Ų92121 Ų12176%0.7676%0.76SS**  trans-79.6120.1172.800000109.5
184Q49.5Very low46.3Very low152 Ų152117.6 Ų117.671%0.7174%0.742SS**  trans-141.5123.7156.2-77.2-68.2-16.400107.4
185P37.2Very low46.2Very low108 Ų108119.5 Ų119.570%0.70175%0.748SS**  trans-90.3125.2177.732.6-26.1000109.7
186M51.4Low45.7Very low184 Ų184122.4 Ų122.491%0.90675%0.747SS**  trans-144.8138158.8-73.5-60-86.700110.3
187D38.2Very low45.3Very low144 Ų144120.3 Ų120.377%0.7773%0.73SS**  trans-72.5158.5-166.6-75.1-69000117.3
188L46.2Very low45.5Very low161 Ų161119.3 Ų119.384%0.84372%0.72SS**  trans79.5156151.4-68.7148.8000119.6
189P42.4Very low45.7Very low107 Ų107118.7 Ų118.770%0.69571%0.714SS**  -127.3155.9-67.330.3-10.9000113.4
190A36.2Very low46.1Very low105 Ų105117 Ų11787%0.86870%0.695SS**  trans28.499.3148.100000119.8
191S44.6Very low46.4Very low117 Ų117118.4 Ų118.482%0.81869%0.686SS**  trans-170.988.4132.3-171.50000109.2
192A38.9Very low47.1Very low101 Ų101113.3 Ų113.384%0.83567%0.67SS**  trans-99.676.2172.300000108.5S194A192-S194 PolarHBondContact O-N 3.23Å
193A42.1Very low47.1Very low71 Ų71116.5 Ų116.559%0.58768%0.676SS**  trans-68.8126.216200000107.8
194S52.9Low47.7Very low56 Ų56119.1 Ų119.139%0.39267%0.672SS.*  trans-69138.6-173.1-63.30000111.5A192 W196 L197A192-S194 PolarHBondContact O-N 3.23Å; S194-W196 VanDerWaalsContact CB-NE1 3.29Å; S194-W196 PolarHBondContact O-N 3Å; S194-L197 PolarHBondContact O-N 2.94Å
195P57.7Low47.4Very low111 Ų111114.9 Ų114.972%0.72167%0.669SS**THydrogen-bonded Turntrans-63.3-2.4-177.2-20.831.1000115.9
196W44Very low47.5Very low169 Ų169112.5 Ų112.564%0.6466%0.659SS**THydrogen-bonded Turntrans-88.7-19175.172.6-90.8000112.8S194 L200S194-W196 VanDerWaalsContact CB-NE1 3.29Å; S194-W196 PolarHBondContact O-N 3Å; W196-L200 HydrophobicContact CE3-CD1 4.08Å; W196-L200 HydrophobicContact CZ3-CD1 4.01Å
197L44.5Very low46.8Very low61 Ų61113.6 Ų113.632%0.31966%0.658SS.*Hα-helixtrans-77.9-31.4175.2-112.473.9000111.7S194 V199 L200 H201S194-L197 PolarHBondContact O-N 2.94Å; L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 3.33Å; L197-L200 PolarHBondContact O-N 3.3Å; L197-H201 WeakPolarHBondContact O-CB 3.29Å; L197-H201 PolarHBondContact O-CD2 3.25Å; L197-H201 PolarHBondContact O-N 3.01Å
198D55.8Low47Very low103 Ų103113.5 Ų113.555%0.55166%0.657SS**Hα-helixtrans-65.3-31.6-179.7-70.1-33.6000113.1A202D198-A202 WeakPolarHBondContact O-CB 2.96Å; D198-A202 PolarHBondContact O-N 3.32Å
199V58Low46.4Very low104 Ų104113 Ų11363%0.6366%0.655SS**Hα-helixtrans-75-33.3176.9-179.40000111.5L197 W203L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 3.33Å; V199-W203 PolarHBondContact O-N 3.16Å
200L48.8Very low46.1Very low85 Ų85116.6 Ų116.645%0.44567%0.667SS.*Hα-helixtrans-77-36.8173.6-90160.9000111.9W196 L197 W203 Q204W196-L200 HydrophobicContact CE3-CD1 4.08Å; W196-L200 HydrophobicContact CZ3-CD1 4.01Å; L197-L200 PolarHBondContact O-N 3.3Å; L200-W203 PolarHBondContact O-N 3.05Å; L200-Q204 PolarHBondContact O-N 3Å; L200-Q204 PolarHBondContact O-OE1 3.03Å
201H53.3Low45.9Very low117 Ų117120.2 Ų120.254%0.54267%0.666SS.*Hα-helixtrans-69.1-32.9173.8-75.9-63.6000112.7L197 W203 Q204 G205L197-H201 WeakPolarHBondContact O-CB 3.29Å; L197-H201 PolarHBondContact O-CD2 3.25Å; L197-H201 PolarHBondContact O-N 3.01Å; H201-W203 PolarHBondContact O-N 3.02Å; H201-Q204 PolarHBondContact O-N 3.4Å; H201-G205 PolarHBondContact O-N 3.02Å
202A54.2Low45.6Very low72 Ų72119.3 Ų119.360%0.59566%0.66SS**Hα-helixtrans-65.7-23.6171.400000113.2D198D198-A202 WeakPolarHBondContact O-CB 2.96Å; D198-A202 PolarHBondContact O-N 3.32Å
203W54.6Low45.5Very low227 Ų227120.8 Ų120.886%0.8666%0.661SS**Hα-helixtrans-93.3-33.2175.7-10553.8000113.4V199 L200 H201V199-W203 PolarHBondContact O-N 3.16Å; L200-W203 PolarHBondContact O-N 3.05Å; H201-W203 PolarHBondContact O-N 3.02Å
204Q51.1Low45.1Very low146 Ų146122.7 Ų122.768%0.68267%0.665SS**Hα-helixtrans-80.6-17.9178-111.594.527.600114.1L200 H201L200-Q204 PolarHBondContact O-N 3Å; L200-Q204 PolarHBondContact O-OE1 3.03Å; H201-Q204 PolarHBondContact O-N 3.4Å
205G42.9Very low44.5Very low63 Ų63126 Ų12665%0.64969%0.688SS**SBendtrans-85.1-8.8-17900000115.3H201 K207H201-G205 PolarHBondContact O-N 3.02Å; G205-K207 PolarHBondContact O-N 3.22Å
206A39.5Very low43.4Very low59 Ų59126.2 Ų126.249%0.48869%0.688SS.*  trans-8167.3174.100000111I208A206-I208 HydrophobicContact CB-CD1 3.82Å; A206-I208 HydrophobicContact CB-CG1 3.9Å; A206-I208 PolarHBondContact O-N 3.48Å
207K36.5Very low43.1Very low206 Ų206126.5 Ų126.590%0.89670%0.701SS**  trans-7172.5142.4-86.8-176.8175.7177.90106.3G205G205-K207 PolarHBondContact O-N 3.22Å
208I42.7Very low42.6Very low143 Ų143130 Ų13073%0.73373%0.725SS**  trans-92.9115.6168.7-62.8172.5000104.1A206A206-I208 HydrophobicContact CB-CD1 3.82Å; A206-I208 HydrophobicContact CB-CG1 3.9Å; A206-I208 PolarHBondContact O-N 3.48Å
209D34.4Very low41.8Very low151 Ų151134.4 Ų134.481%0.80774%0.74SS**  trans-44.3141.3172.1-86.8-52.5000110.8E211D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 3.19Å
210L35.7Very low41Very low181 Ų181134.6 Ų134.695%0.94874%0.741SS**SBendtrans-63.477.7-176.1-159.281.8000110.3
211E31.5Very low40.2Very low181 Ų181134.2 Ų134.285%0.84676%0.758SS**  trans-138.498.1172.5-154.1157.6106.800110.1D209D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 3.19Å
212S37.4Very low39.4Very low99 Ų99134.2 Ų134.269%0.69277%0.771SS**  trans-51.9131.9175-57.40000111.1T214S212-T214 PolarHBondContact O-N 2.9Å
213P38.8Very low38.7Very low131 Ų131138.7 Ų138.785%0.85179%0.785SS**  trans-79.471.2169.133.4-30.7000108.7
214T33Very low37.9Very low112 Ų112131.9 Ų131.969%0.68779%0.785SS**  trans-110.685.3164.9-590000106.8S212 T216S212-T214 PolarHBondContact O-N 2.9Å; T214-T216 PolarHBondContact O-N 3.35Å; T214-T216 VanDerWaalsContact O-N 3.12Å
215S40.7Very low37.3Very low124 Ų124128.5 Ų128.587%0.86779%0.789SS**  trans-61.7112.7178.4-65.10000110.6
216T33.3Very low37.2Very low117 Ų117134.7 Ų134.772%0.71880%0.804SS**  trans-114.7113.4166.2-50.60000106.7T214T214-T216 PolarHBondContact O-N 3.35Å; T214-T216 VanDerWaalsContact O-N 3.12Å
217L39Very low37.4Very low175 Ų175139.7 Ų139.792%0.91682%0.821SS**  trans-107112170.5-81.1-179.9000110.3
218T32.9Very low37.7Very low134 Ų134135 Ų13582%0.82281%0.812SS**  trans-74.9133.9163.314.50000110
219F40Very low37.7Very low195 Ų195134.3 Ų134.386%0.85581%0.814SS**  trans-137.5134.8152.3-166.5-103000111.9
220T40.4Very low38.2Very low109 Ų109132.6 Ų132.667%0.66981%0.812SS**  trans-64.4142.2-176.140.20000113.8
221G32.7Very low38.3Very low77 Ų77135.4 Ų135.479%0.79481%0.81SS**  trans-79.7170179.800000115.8
222S37Very low38.9Very low116 Ų116132.3 Ų132.381%0.81180%0.803SS**  trans-163.8113.7141.1-148.10000111.4
223N38.6Very low39.4Very low167 Ų167135.2 Ų135.289%0.89381%0.811SS**  trans23.2131.6145.7-67-16.5000122.7
224G38.1Very low39.4Very low84 Ų84132.4 Ų132.487%0.86681%0.806SS**  151.7108.8129.900000116.8
225G37.7Very low39.8Very low74 Ų74133 Ų13376%0.76381%0.812SS**  trans116.686.113400000121.2
226M41.8Very low39.6Very low194 Ų194135.9 Ų135.996%0.95681%0.811SS**  trans74.9121.9130.7-53.6-156.182.900124.1
227L43.8Very low39.8Very low163 Ų163136 Ų13685%0.85381%0.812SS**  trans-54.5-172.6161.7-117.175.1000116.3
228P43.2Very low39.9Very low107 Ų107133.2 Ų133.270%0.69581%0.807SS**  cis-138.3174.3-23.926.2-3.3000116.6
229T42.6Very low39.8Very low129 Ų129134.8 Ų134.879%0.79181%0.805SS**  trans-66.6171.5170.156.30000116.2
230P44.3Very low39.9Very low116 Ų116131.4 Ų131.475%0.75381%0.806SS**  -155.6157.198.737.7-18000119.5
231R37.2Very low39.6Very low239 Ų239133.1 Ų133.190%0.90281%0.811SS**  trans46.4142.5141.4-75.3-177.3163.5-176.3-4.9123.2
232T45.1Very low39.8Very low117 Ų117135.4 Ų135.472%0.71881%0.814SS**  173.3127.2114-690000114.1
233N47.4Very low39.7Very low160 Ų160134.4 Ų134.486%0.85681%0.813SS**  trans41.6148.8148.4-47.9-16.5000121.9
234G37.9Very low39.4Very low72 Ų72135.3 Ų135.374%0.74282%0.815SS**  cis163.8163.89.400000109
235P42.2Very low39.2Very low125 Ų125136.6 Ų136.681%0.81281%0.81SS**  trans-117161.2-161.839.9-27.9000116.5
236E36.4Very low39Very low183 Ų183140.5 Ų140.586%0.85581%0.808SS**  trans176.3119.9148.4-111.8-174.290.700111.5
237V37.4Very low38.2Very low120 Ų120141.7 Ų141.773%0.72780%0.804SS**  60.311798.8-172.40000116.6
238S40.2Very low37.7Very low117 Ų117141.6 Ų141.682%0.81880%0.799SS**  trans-177.7128.3130.6-79.50000112.3
239E31.2Very low36.8Very low167 Ų167144.8 Ų144.878%0.7881%0.806SS**  trans-64.9152.2172.6-76.4163.299.800112.9
240S42.8Very low36.4Very low124 Ų124143.1 Ų143.187%0.86780%0.8SS**  trans-146111.5158.1-71.40000109.4
241N34.4Very low35.8Very low144 Ų144144.8 Ų144.877%0.7780%0.803SS**  trans-68.2138.2170.9-65.4-50.3000110.9
242S36.6Very low35.5Very low125 Ų125142.5 Ų142.587%0.87480%0.802SS**  trans-172.3142.2142.5-106.40000115.3
243A35.1Very low35Very low95 Ų95144.9 Ų144.979%0.78581%0.81SS**  trans82.481.2150.300000119S245A243-S245 PolarHBondContact O-N 2.93Å
244M32.1Very low34.1Very low187 Ų187147.2 Ų147.292%0.92182%0.816SS**  trans-43.5115.3142.6-173.5167.385.900111.9
245S34.8Very low33.8Very low111 Ų111147 Ų14778%0.77681%0.813SS**  trans-104.1112164.860.60000109.8A243A243-S245 PolarHBondContact O-N 2.93Å
246H31.9Very low33.4Very low156 Ų156149.4 Ų149.472%0.72281%0.813SS**  trans-57.4129.8176.4-161.4-106.1000111.5Q248H246-Q248 PolarHBondContact O-N 3.49Å
247Y25.5Very low33.3Very low218 Ų218149.1 Ų149.186%0.85581%0.812SS**  trans-61.6124.2162.3-105.4-101.4000108.5
248Q33.2Very low33.5Very low162 Ų162148.7 Ų148.776%0.75781%0.81SS**  trans-126.9101.9162-164.5153.1-12.200108.2H246H246-Q248 PolarHBondContact O-N 3.49Å
249M25.6Very low33.2Very low173 Ų173151.6 Ų151.685%0.85280%0.804SS**  trans-66.6123.8166.7-166.291.582.200107.4
250S34.2Very low33.3Very low95 Ų95151.9 Ų151.966%0.66480%0.798SS**  trans-146.3135164.5-64.50000108.7
251D30.1Very low32.9Very low151 Ų151152.9 Ų152.981%0.80779%0.789SS**  trans-46.6145.6-175.9-59-77.3000114.7
252E31.9Very low33.1Very low190 Ų190152.7 Ų152.789%0.88879%0.787SS**  trans161.3113136.3-91.6176.9114.500107.9
253L34.7Very low33Very low168 Ų168155.2 Ų155.288%0.8878%0.782SS**  trans173.365.4136.4-87.1174.5000108.3G255L253-G255 PolarHBondContact O-N 2.88Å
254E28.8Very low33Very low209 Ų209155.6 Ų155.698%0.97778%0.779SS**  trans-65.7106.2148.5-71.3-169.115000106.9
255G31.4Very low33.1Very low66 Ų66155 Ų15568%0.6877%0.771SS**  trans-178.920.9-175.900000118.1L253L253-G255 PolarHBondContact O-N 2.88Å
256E33.4Very low33.2Very low176 Ų176158.6 Ų158.682%0.82278%0.776SS**  trans-149.337.4177.360.8176.8178.600114.8
257E35.2Very low33.2Very low177 Ų177159.6 Ų159.683%0.82778%0.78SS**SBendtrans-103.7-6172.8-70.6-157.9141.600114.5
258T41.6Very low33.8Very low112 Ų112155.3 Ų155.369%0.68778%0.777SS**SBendtrans-89.8-8.9-172.24.60000115.3
259Y32.2Very low33.8Very low178 Ų178152.8 Ų152.870%0.69877%0.774SS**SBendtrans-85.3-15.7-175.2-164.9-107.8000114.3
260W34.9Very low34Very low173 Ų173153 Ų15366%0.65577%0.773SS**SBendtrans-102.4-11.7-175.7-65.5111.5000115.1I262 F263W260-I262 PolarHBondContact O-N 3.05Å; W260-F263 PolarHBondContact O-N 3.36Å
261Q33.4Very low34.2Very low145 Ų145155.6 Ų155.668%0.67879%0.785SS**G310 helixtrans-69.6-15.9179.8-79.9178-2.300113.9F263Q261-F263 VanDerWaalsContact C-N 3.33Å; Q261-F263 PolarHBondContact O-N 3.18Å
262I37.6Very low34.2Very low140 Ų140155.5 Ų155.572%0.71878%0.784SS**G310 helixtrans-77.1-17.3-177.5-61.6175.5000112.7W260W260-I262 PolarHBondContact O-N 3.05Å
263F34.8Very low34.3Very low178 Ų178150.8 Ų150.878%0.78177%0.773SS**G310 helixtrans-110.33.6-177-81.8-78.8000115.2W260 Q261W260-F263 PolarHBondContact O-N 3.36Å; Q261-F263 VanDerWaalsContact C-N 3.33Å; Q261-F263 PolarHBondContact O-N 3.18Å
264S34.9Very low34.4Very low102 Ų102152.3 Ų152.371%0.71377%0.772SS**SBendtrans-131.414.2-169.4-63.40000116.6
265K35.9Very low34.4Very low174 Ų174150.9 Ų150.976%0.75777%0.765SS**  trans-139.1108171.5-94.7176.9173.6175.20111.1
266H37Very low34.7Very low188 Ų188153 Ų15387%0.8777%0.77SS**  165.9103.1125.6-89.7-70.1000110.4
267Q30.8Very low34.7Very low176 Ų176153 Ų15382%0.82277%0.77SS**  trans-97.9152.4157.6-175.189.34100106.7
268V37.6Very low34.9Very low128 Ų128151.5 Ų151.578%0.77677%0.767SS**  trans86.2145.7168.3-104.60000118.6
269P33.8Very low34.6Very low109 Ų109153 Ų15371%0.70877%0.771SS**  -130.7168.1-105.839.8-20.7000116.1
270E30Very low34.5Very low177 Ų177153.2 Ų153.283%0.82778%0.776SS**  trans44.5107.6145.3-162.4177.7179.300120.2
271V38.3Very low34.5Very low151 Ų151151.7 Ų151.792%0.91578%0.779SS**  -161.8161.8122.7-121.20000112.6
272D29.9Very low34.3Very low148 Ų148147.6 Ų147.679%0.79178%0.776SS**  trans-74.2162-154.3-148.1-26.8000118.1
273S34.5Very low34.1Very low92 Ų92146.5 Ų146.564%0.64378%0.78SS**  trans90.9114142-670000122.3
274K36.4Very low33.9Very low199 Ų199145.7 Ų145.787%0.86578%0.778SS**  115.2132.6120.6-118.5167.1-179152.80119.5
275E28.9Very low34.1Very low179 Ų179149.2 Ų149.284%0.83678%0.783SS**  trans-74.6153.3-169.2-62.8157.8131.400115.2
276S37.8Very low34Very low111 Ų111145.1 Ų145.178%0.77677%0.774SS**  trans177.5107.7141.130.30000106.4
277E32.9Very low34.1Very low177 Ų177147.4 Ų147.483%0.82778%0.776SS**  47.3102.390.6-67.4-168.8129.200112.5
278D39Very low34.2Very low144 Ų144148.5 Ų148.577%0.7778%0.778SS**  166.7132.3116.6-77.9-33.8000113.4
279D36Very low34Very low143 Ų143148.4 Ų148.477%0.76578%0.783SS**  trans67.8111.5140.4-69-41.7000124.4
280F29.7Very low34Very low184 Ų184146.7 Ų146.781%0.80779%0.785SS**  81.8141.9113.8-157.6-122.6000120.6
281I35.9Very low34.5Very low141 Ų141147.7 Ų147.772%0.72379%0.792SS**  trans99.3121.3162.5-47.3-174.5000117.1
282G28.3Very low34.3Very low59 Ų59145.8 Ų145.861%0.60879%0.792SS**  trans-76.9171.3-174.700000115
283C33.8Very low34.7Very low117 Ų117142.1 Ų142.179%0.79179%0.79SS**  -173.8121.6125.8-106.20000108.9
284E30.2Very low35.2Very low160 Ų160145 Ų14575%0.74880%0.803SS**  15.5127.7127.5-7.1-75.297.700117
285E39.6Very low35.1Very low176 Ų176139.4 Ų139.482%0.82280%0.802SS**  131.6171.9106-87.9-106127.700109.3
286P34.8Very low35.6Very low88 Ų88135.9 Ų135.957%0.57180%0.803SS**  -137.7133.3-92.233.9-10.4000114.1F288P286-F288 VanDerWaalsContact C-N 3.32Å; P286-F288 PolarHBondContact O-N 2.8Å
287W39Very low35.5Very low237 Ų237134.4 Ų134.490%0.89881%0.805SS**SBendtrans-88.764.6174.764-65.2000111.7
288F32.3Very low35.7Very low198 Ų198134.8 Ų134.887%0.86881%0.809SS**  trans-169.785.3155.9-129.6-91.5000110.9P286P286-F288 VanDerWaalsContact C-N 3.32Å; P286-F288 PolarHBondContact O-N 2.8Å
289S32.9Very low35.5Very low127 Ų127135.3 Ų135.389%0.88881%0.811SS**  trans-161.2121.6155.5-157.90000109.9
290G33.5Very low35.6Very low73 Ų73136 Ų13675%0.75381%0.814SS**  trans178.669.8-177.400000111.8
291M40.6Very low35.5Very low198 Ų198133.8 Ų133.898%0.97581%0.811SS**  trans157.294.8141-86.9-178.5152.500110.3
292A35.4Very low35.5Very low110 Ų110133.4 Ų133.491%0.90982%0.815SS**  trans-99.8133.1154.400000107.5
293G38Very low35.7Very low72 Ų72135.7 Ų135.774%0.74282%0.821SS**  trans-175.173.5-177.900000113.8
294V43.8Very low35.6Very low153 Ų153137.4 Ų137.493%0.92782%0.823SS**  trans34117.7142.4-160.70000119.3
295G35.2Very low35.6Very low81 Ų81138.1 Ų138.184%0.83583%0.826SS**  trans-17295.7161.800000111.5
296A39.5Very low35.5Very low105 Ų105138.6 Ų138.687%0.86883%0.828SS**  trans-84.5155.9-177.900000113.2
297G35.5Very low35.3Very low79 Ų79142.3 Ų142.381%0.81484%0.838SS**  trans100.6137.5162.800000114
298M37.3Very low35.1Very low185 Ų185139.2 Ų139.291%0.91184%0.838SS**  cis-165.1135-0.8-163.8168.2-178.400105.2
299L33.9Very low35.1Very low155 Ų155135 Ų13581%0.81283%0.833SS**  trans-81.5117-179.8-175.2159.7000108.5
300L38Very low35Very low159 Ų159137.2 Ų137.283%0.83283%0.829SS**  trans-147.3117.3154.7-76.4-177.7000110
301D28.6Very low35Very low136 Ų136139.8 Ų139.873%0.72783%0.834SS**  trans-57.3146.6159.8-152.7-23.9000109.9
302V35.6Very low34.7Very low134 Ų134141.4 Ų141.481%0.81283%0.83SS**  trans177.4114.4150150.90000108.4
303S32.6Very low34.7Very low106 Ų106139.8 Ų139.874%0.74182%0.824SS**  trans-59.7131.3162.1-41.20000110.4
304N31.2Very low34.3Very low154 Ų154145.5 Ų145.582%0.82483%0.831SS**  trans-160.2132.7143-153.129.2000112.2
305E30.8Very low34Very low175 Ų175144.2 Ų144.282%0.81883%0.828SS**  trans-89.9130.4178.5-44.5-179.112000107.5
306H36.4Very low33.9Very low185 Ų185146.2 Ų146.286%0.85683%0.83SS**  trans-169129.3145.1-143.2-97.9000112.5
307E32.1Very low34Very low167 Ų167146.3 Ų146.378%0.7882%0.824SS**  trans-59149.9175.1-68.5171.182.800114.8
308L33.7Very low34Very low172 Ų172145.8 Ų145.890%0.90182%0.818SS**  trans-157.486.1150.5-97.2165.9000107.2
309S32Very low33.8Very low110 Ų110146 Ų14677%0.76982%0.817SS**  65.898.796.3-177.70000114.3
310E32.4Very low34.1Very low173 Ų173144.1 Ų144.181%0.80881%0.813SS**  trans-83.2157.2165.5-62.9-177.2139.900111.2
311C33.1Very low34.5Very low126 Ų126142.6 Ų142.685%0.85181%0.809SS**  trans-140.8111.4163.5-164.40000109.4
312W33.4Very low35.1Very low233 Ų233144.2 Ų144.288%0.88381%0.813SS**  trans-122.9125.6164.3-75.889.3000108.5
313G34.7Very low35.3Very low76 Ų76145.1 Ų145.178%0.78481%0.808SS**  trans-92.8124170.100000110.4
314E31.5Very low35.9Very low192 Ų192144.1 Ų144.190%0.89780%0.801SS**  trans-78.1143.3167.5-81.9172.696.600111.2
315S36.5Very low36.4Very low125 Ų125144.7 Ų144.787%0.87480%0.796SS**  trans-133.7129.6152.7-82.20000110
316S34.1Very low36.7Very low123 Ų123143.5 Ų143.586%0.8679%0.79SS**  trans-50.5127.8179.8178.60000114.5
317S41.8Very low37Very low108 Ų108136.9 Ų136.976%0.75577%0.768SS**  trans-167.2107.413557.20000109.6
318G34.6Very low37.8Very low67 Ų67131.5 Ų131.569%0.69175%0.749SS**  trans-67.2164.3168.600000112.2
319Q33.6Very low38.7Very low189 Ų189127.8 Ų127.888%0.88373%0.729SS**SBendtrans84.190.8-175.9-59.8171-26.300114.2
320T39.3Very low39.8Very low117 Ų117129 Ų12972%0.71872%0.721SS**  trans1714.2148.632.40000115.8E322T320-E322 PolarHBondContact O-N 2.97Å
321V46.6Very low40.9Very low126 Ų126125.6 Ų125.676%0.76471%0.705SS**Hα-helixtrans-72.8-25.7-168.3-176.70000115.1S324V321-S324 PolarHBondContact O-N 2.64Å
322E40.3Very low42.1Very low170 Ų170121.3 Ų121.379%0.79467%0.674SS**Hα-helixtrans-71.8-32.2179.3-75.2-152.2126.700114T320 S324T320-E322 PolarHBondContact O-N 2.97Å; E322-S324 PolarHBondContact O-N 3.38Å
323H39.9Very low43.5Very low153 Ų153116.2 Ų116.271%0.70866%0.658SS**Hα-helixtrans-69.6-23.3179.5-81.245.9000112.5A327H323-A327 WeakPolarHBondContact O-CB 3.47Å; H323-A327 PolarHBondContact O-N 3.28Å
324S45.7Very low45.3Very low85 Ų85116.4 Ų116.459%0.59464%0.641SS**Hα-helixtrans-79.2-36.1-175.7-151.20000113V321 E322 A327 S328V321-S324 PolarHBondContact O-N 2.64Å; E322-S324 PolarHBondContact O-N 3.38Å; S324-A327 PolarHBondContact O-N 2.9Å; S324-S328 PolarHBondContact O-N 3.45Å; S324-S328 VanDerWaalsContact O-N 3.14Å
325K41.3Very low47Very low167 Ų167111.8 Ų111.873%0.72662%0.616SS**Hα-helixtrans-64-44.1172.9-100.5-179.7173.5179.50111.8A327 S328 D329K325-A327 VanDerWaalsContact C-N 3.29Å; K325-A327 PolarHBondContact O-N 3.22Å; K325-S328 PolarHBondContact O-N 3.07Å; K325-D329 PolarHBondContact O-N 3.1Å; K325-D329 VanDerWaalsContact O-N 3.16Å
326Q38.9Very low48.4Very low149 Ų149107.1 Ų107.170%0.69658%0.579SS**Hα-helixtrans-69.8-27.2-178-153.9172-6.300112.7K330Q326-K330 WeakPolarHBondContact O-CB 2.97Å
327A42Very low50.1Low46 Ų46105.5 Ų105.538%0.3856%0.561SS.*Hα-helixtrans-75.6-39.4173.400000112.8H323 S324 K325 K330 E331H323-A327 WeakPolarHBondContact O-CB 3.47Å; H323-A327 PolarHBondContact O-N 3.28Å; S324-A327 PolarHBondContact O-N 2.9Å; K325-A327 VanDerWaalsContact C-N 3.29Å; K325-A327 PolarHBondContact O-N 3.22Å; A327-K330 WeakPolarHBondContact O-CA 3.42Å; A327-K330 VanDerWaalsContact O-CB 3.31Å; A327-K330 WeakPolarHBondContact O-CB 3.4Å; A327-K330 PolarHBondContact O-N 3.49Å; A327-K330 VanDerWaalsContact O-N 3.1Å; A327-E331 PolarHBondContact O-N 2.82Å
328S48.1Very low51.7Low55 Ų55106.9 Ų106.939%0.38555%0.55SS..Hα-helixtrans-64.5-46.1177.4-169.90000112S324 K325 K330 E331 D332S324-S328 PolarHBondContact O-N 3.45Å; S324-S328 VanDerWaalsContact O-N 3.14Å; K325-S328 PolarHBondContact O-N 3.07Å; S328-K330 PolarHBondContact O-N 3.22Å; S328-K330 VanDerWaalsContact O-N 3.11Å; S328-E331 PolarHBondContact O-N 3.47Å; S328-D332 PolarHBondContact O-N 3.09Å; S328-D332 VanDerWaalsContact O-N 3.14Å
329D52.5Low53.3Low93 Ų93103.8 Ų103.850%0.49752%0.517SS..Hα-helixtrans-62.3-19174.7-73.6-13000112.3K325 K333K325-D329 PolarHBondContact O-N 3.1Å; K325-D329 VanDerWaalsContact O-N 3.16Å; D329-K333 WeakPolarHBondContact O-CB 3.3Å; D329-K333 WeakPolarHBondContact O-CD 3.43Å; D329-K333 VanDerWaalsContact O-CE 3.29Å; D329-K333 WeakPolarHBondContact O-CE 3.43Å; D329-K333 WeakPolarHBondContact O-CG 3.4Å
330K56.2Low54.9Low136 Ų13694.9 Ų94.959%0.59148%0.476SS*.Hα-helixtrans-85-45.1178.4-164.2173.7-177.4172.40111.3Q326 A327 S328 K333 D334Q326-K330 WeakPolarHBondContact O-CB 2.97Å; A327-K330 WeakPolarHBondContact O-CA 3.42Å; A327-K330 VanDerWaalsContact O-CB 3.31Å; A327-K330 WeakPolarHBondContact O-CB 3.4Å; A327-K330 PolarHBondContact O-N 3.49Å; A327-K330 VanDerWaalsContact O-N 3.1Å; S328-K330 PolarHBondContact O-N 3.22Å; S328-K330 VanDerWaalsContact O-N 3.11Å; K330-K333 CarbonylContact O-C 3.47Å; K330-K333 WeakPolarHBondContact O-CB 3.38Å; K330-K333 PolarHBondContact O-N 3.19Å; K330-D334 PolarHBondContact O-N 2.88Å
331E55.3Low56.6Low102 Ų10294 Ų9448%0.47747%0.467SS..Hα-helixtrans-70.1-36.6179.7-72178.2-172.900113.1A327 S328 K333 D334 Y335A327-E331 PolarHBondContact O-N 2.82Å; S328-E331 PolarHBondContact O-N 3.47Å; E331-K333 VanDerWaalsContact C-N 3.32Å; E331-D334 CarbonylContact O-C 3.51Å; E331-D334 WeakPolarHBondContact O-CA 3.04Å; E331-D334 WeakPolarHBondContact O-CB 3.44Å; E331-D334 PolarHBondContact O-N 3.49Å; E331-Y335 PolarHBondContact O-N 3.09Å
332D58.7Low57.7Low36 Ų3694.8 Ų94.819%0.19346%0.456CS..Hα-helixtrans-65.2-40.4172.4-78.3-24.2000110.8A144 S328 D334 Y335 W336A144-D332 VanDerWaalsContact CB-OD1 3.31Å; A144-D332 WeakPolarHBondContact CB-OD1 2.92Å; S328-D332 PolarHBondContact O-N 3.09Å; S328-D332 VanDerWaalsContact O-N 3.14Å; D332-D334 PolarHBondContact O-N 3.23Å; D332-Y335 PolarHBondContact O-N 2.6Å; D332-W336 PolarHBondContact O-N 3.21Å; D332-W336 VanDerWaalsContact O-N 3.11Å
333K62.9Low58.9Low125 Ų12586.9 Ų86.954%0.54342%0.419SS..Hα-helixtrans-60-38.9168.1-76.4171.9-161.7151.70110D329 K330 E331 N337D329-K333 WeakPolarHBondContact O-CB 3.3Å; D329-K333 WeakPolarHBondContact O-CD 3.43Å; D329-K333 VanDerWaalsContact O-CE 3.29Å; D329-K333 WeakPolarHBondContact O-CE 3.43Å; D329-K333 WeakPolarHBondContact O-CG 3.4Å; K330-K333 CarbonylContact O-C 3.47Å; K330-K333 WeakPolarHBondContact O-CB 3.38Å; K330-K333 PolarHBondContact O-N 3.19Å; E331-K333 VanDerWaalsContact C-N 3.32Å; K333-N337 WeakPolarHBondContact O-CA 3.48Å; K333-N337 WeakPolarHBondContact O-CB 3.43Å; K333-N337 PolarHBondContact O-N 3.44Å; K333-N337 PolarHBondContact O-ND2 3.46Å
334D71.6Confident60.2Low81 Ų8181.2 Ų81.243%0.43339%0.394SS..Hα-helixtrans-69-39.5-179.8-63.1-27.7000113K330 E331 D332 N337 W338K330-D334 PolarHBondContact O-N 2.88Å; E331-D334 CarbonylContact O-C 3.51Å; E331-D334 WeakPolarHBondContact O-CA 3.04Å; E331-D334 WeakPolarHBondContact O-CB 3.44Å; E331-D334 PolarHBondContact O-N 3.49Å; D332-D334 PolarHBondContact O-N 3.23Å; D334-N337 PolarHBondContact O-N 3.14Å; D334-W338 VanDerWaalsContact O-CB 3.28Å; D334-W338 WeakPolarHBondContact O-CB 3.4Å; D334-W338 PolarHBondContact O-N 3.3Å
335Y66.7Low61.3Low94 Ų9479.5 Ų79.537%0.36938%0.382SS..Hα-helixtrans-63.2-50.4173.6171.8-102.5000111H126 E331 D332 W338 V339H126-Y335 PolarHBondContact O-OH 3.15Å; E331-Y335 PolarHBondContact O-N 3.09Å; D332-Y335 PolarHBondContact O-N 2.6Å; Y335-W338 WeakPolarHBondContact O-CB 3.39Å; Y335-W338 PolarHBondContact O-N 3.33Å; Y335-W338 VanDerWaalsContact O-N 3.16Å; Y335-V339 HydrophobicContact CD1-CG2 4.31Å; Y335-V339 HydrophobicContact CD2-CG2 4.41Å; Y335-V339 HydrophobicContact CE1-CG2 3.83Å; Y335-V339 HydrophobicContact CE2-CG2 3.93Å; Y335-V339 WeakPolarHBondContact O-CG2 3.26Å; Y335-V339 PolarHBondContact O-N 3.46Å
336W67.4Low62.3Low28 Ų2874.1 Ų74.111%0.10636%0.359CS..Hα-helixtrans-65.3-43.4177-72.1112.5000110.2I79 Q80 A83 H126 D332 W338 V339 L340I79-W336 HydrophobicContact CG2-CZ3 3.93Å; Q80-W336 HydrophobicContact CG-CD2 3.81Å; Q80-W336 HydrophobicContact CG-CE3 3.88Å; Q80-W336 HydrophobicContact CG-CG 4.14Å; Q80-W336 HydrophobicContact CG-CZ3 4.37Å; A83-W336 HydrophobicContact CB-CH2 3.65Å; A83-W336 HydrophobicContact CB-CZ2 4.08Å; H126-W336 HydrophobicContact CB-CH2 4.41Å; D332-W336 PolarHBondContact O-N 3.21Å; D332-W336 VanDerWaalsContact O-N 3.11Å; W336-W338 PolarHBondContact O-N 3.46Å; W336-V339 HydrophobicContact CE3-CB 4.4Å; W336-V339 HydrophobicContact CE3-CG1 4.44Å; W336-V339 PolarHBondContact O-N 3.42Å; W336-L340 HydrophobicContact CB-CD1 4.31Å; W336-L340 WeakPolarHBondContact O-CA 3.12Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 WeakPolarHBondContact O-CD1 3.38Å; W336-L340 WeakPolarHBondContact O-CG 3.47Å; W336-L340 PolarHBondContact O-N 2.87Å
337N69.3Low63.1Low89 Ų8969.2 Ų69.248%0.47634%0.338SS..Hα-helixtrans-56.9-36.8173.6-74-33.8000111.2K333 D334 D341K333-N337 WeakPolarHBondContact O-CA 3.48Å; K333-N337 WeakPolarHBondContact O-CB 3.43Å; K333-N337 PolarHBondContact O-N 3.44Å; K333-N337 PolarHBondContact O-ND2 3.46Å; D334-N337 PolarHBondContact O-N 3.14Å; N337-D341 WeakPolarHBondContact O-CA 3.4Å; N337-D341 WeakPolarHBondContact O-CB 3.39Å; N337-D341 PolarHBondContact O-N 3.39Å
338W74.9Confident63.8Low137 Ų13772.2 Ų72.252%0.51935%0.352SS..Hα-helixtrans-68.6-48.9174.717684.9000112.4D334 Y335 W336 L340 D341 R342D334-W338 VanDerWaalsContact O-CB 3.28Å; D334-W338 WeakPolarHBondContact O-CB 3.4Å; D334-W338 PolarHBondContact O-N 3.3Å; Y335-W338 WeakPolarHBondContact O-CB 3.39Å; Y335-W338 PolarHBondContact O-N 3.33Å; Y335-W338 VanDerWaalsContact O-N 3.16Å; W336-W338 PolarHBondContact O-N 3.46Å; W338-L340 PolarHBondContact O-N 3.11Å; W338-D341 PolarHBondContact O-N 2.86Å; W338-R342 WeakPolarHBondContact O-CB 3.36Å; W338-R342 PolarHBondContact O-N 3.17Å
339V68.6Low64.3Low1 Ų173.2 Ų73.21%0.00636%0.363CS..Hα-helixtrans-56.5-44.1174.1170.70000109.8I121 Y335 W336 R342 V343I121-V339 HydrophobicContact CD1-CG1 3.83Å; I121-V339 HydrophobicContact CD1-CG2 4.25Å; Y335-V339 HydrophobicContact CD1-CG2 4.31Å; Y335-V339 HydrophobicContact CD2-CG2 4.41Å; Y335-V339 HydrophobicContact CE1-CG2 3.83Å; Y335-V339 HydrophobicContact CE2-CG2 3.93Å; Y335-V339 WeakPolarHBondContact O-CG2 3.26Å; Y335-V339 PolarHBondContact O-N 3.46Å; W336-V339 HydrophobicContact CE3-CB 4.4Å; W336-V339 HydrophobicContact CE3-CG1 4.44Å; W336-V339 PolarHBondContact O-N 3.42Å; V339-R342 PolarHBondContact O-N 3.01Å; V339-V343 VanDerWaalsContact O-CG2 3.24Å; V339-V343 WeakPolarHBondContact O-CG2 3.24Å; V339-V343 PolarHBondContact O-N 3.48Å
340L67.7Low64.3Low3 Ų374.6 Ų74.62%0.01637%0.367CS..Hα-helixtrans-76.2-35.6-175.3-64.8176.1000112.4Q76 I79 W336 W338 R342 V343 N344Q76-L340 HydrophobicContact CB-CD1 3.63Å; Q76-L340 HydrophobicContact CB-CD2 3.78Å; Q76-L340 HydrophobicContact CB-CG 4.2Å; Q76-L340 HydrophobicContact CG-CB 4.04Å; Q76-L340 HydrophobicContact CG-CD1 3.5Å; Q76-L340 HydrophobicContact CG-CD2 3.46Å; Q76-L340 VanDerWaalsContact CG-CD2 3.46Å; Q76-L340 HydrophobicContact CG-CG 3.76Å; I79-L340 HydrophobicContact CD1-CD2 4.31Å; W336-L340 HydrophobicContact CB-CD1 4.31Å; W336-L340 WeakPolarHBondContact O-CA 3.12Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 WeakPolarHBondContact O-CD1 3.38Å; W336-L340 WeakPolarHBondContact O-CG 3.47Å; W336-L340 PolarHBondContact O-N 2.87Å; W338-L340 PolarHBondContact O-N 3.11Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-V343 PolarHBondContact O-N 3.04Å; L340-N344 VanDerWaalsContact O-CB 3.24Å; L340-N344 WeakPolarHBondContact O-CB 3.36Å; L340-N344 PolarHBondContact O-N 3.27Å; L340-N344 PolarHBondContact O-ND2 3.25Å
341D73Confident63.7Low99 Ų9972.5 Ų72.553%0.52937%0.369SS..Hα-helixtrans-65.4-39.1172.1-175.969.4000110.5N337 W338 N344 S345N337-D341 WeakPolarHBondContact O-CA 3.4Å; N337-D341 WeakPolarHBondContact O-CB 3.39Å; N337-D341 PolarHBondContact O-N 3.39Å; W338-D341 PolarHBondContact O-N 2.86Å; D341-N344 PolarHBondContact O-N 3.43Å; D341-S345 VanDerWaalsContact O-CB 3.3Å; D341-S345 WeakPolarHBondContact O-CB 3.36Å; D341-S345 PolarHBondContact O-N 3.3Å; D341-S345 PolarHBondContact O-OG 3.18Å
342R70Confident63.2Low142 Ų14272.7 Ų72.754%0.53638%0.379SS..Hα-helixtrans-64.7-41.5173.3-167.961.3176.41672.9112I119 W338 V339 L340I119-R342 HydrophobicContact CG2-CG 3.65Å; W338-R342 WeakPolarHBondContact O-CB 3.36Å; W338-R342 PolarHBondContact O-N 3.17Å; V339-R342 PolarHBondContact O-N 3.01Å; L340-R342 VanDerWaalsContact C-N 3.32Å
343V65.5Low62.5Low4 Ų476.2 Ų76.22%0.02441%0.406CS..Hα-helixtrans-64.5-41.4173.71690000111.4I119 V339 L340I119-V343 HydrophobicContact CD1-CB 4.34Å; I119-V343 HydrophobicContact CD1-CG2 3.59Å; V339-V343 VanDerWaalsContact O-CG2 3.24Å; V339-V343 WeakPolarHBondContact O-CG2 3.24Å; V339-V343 PolarHBondContact O-N 3.48Å; L340-V343 PolarHBondContact O-N 3.04Å
344N68.7Low61.7Low34 Ų3478.3 Ų78.318%0.18242%0.423CS..Hα-helixtrans-72.9-37.2-178-74-20.3000112.8Q76 L340 D341 E346 L347 T348Q76-N344 PolarHBondContact NE2-ND2 2.87Å; L340-N344 VanDerWaalsContact O-CB 3.24Å; L340-N344 WeakPolarHBondContact O-CB 3.36Å; L340-N344 PolarHBondContact O-N 3.27Å; L340-N344 PolarHBondContact O-ND2 3.25Å; D341-N344 PolarHBondContact O-N 3.43Å; N344-E346 PolarHBondContact O-N 3.12Å; N344-L347 WeakPolarHBondContact O-CB 3.43Å; N344-L347 PolarHBondContact O-N 3.32Å; N344-T348 PolarHBondContact O-N 3.13Å
345S68.3Low60.5Low48 Ų4884 Ų8434%0.33646%0.46SS..Hα-helixtrans-60.3-32.4176.8-67.80000112.5D341 L347 T348 A349D341-S345 VanDerWaalsContact O-CB 3.3Å; D341-S345 WeakPolarHBondContact O-CB 3.36Å; D341-S345 PolarHBondContact O-N 3.3Å; D341-S345 PolarHBondContact O-OG 3.18Å; S345-L347 VanDerWaalsContact C-N 3.32Å; S345-T348 PolarHBondContact O-OG1 3.42Å; S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 2.88Å
346E62Low60.2Low54 Ų5483.5 Ų83.525%0.25247%0.465SS..Hα-helixtrans-76.5-21.2176.9-167.763.7-164.600112.5K118 N344 Q350K118-E346 IonicContact NZ-OE1 2.69Å; K118-E346 PolarHBondContact NZ-OE1 3.29Å; N344-E346 PolarHBondContact O-N 3.12Å; E346-Q350 WeakPolarHBondContact O-CG 3.04Å; E346-Q350 PolarHBondContact O-N 3.15Å; E346-Q350 PolarHBondContact O-NE2 3.44Å
347L55.6Low59.8Low47 Ų4786.4 Ų86.425%0.24648%0.483CS..Hα-helixtrans-80.4-35.4177-69.2166.1000111.8L72 N344 S345L72-L347 HydrophobicContact CD2-CD1 3.12Å; L72-L347 HydrophobicContact CD2-CG 4.39Å; N344-L347 WeakPolarHBondContact O-CB 3.43Å; N344-L347 PolarHBondContact O-N 3.32Å; S345-L347 VanDerWaalsContact C-N 3.32Å
348T57.6Low59.3Low109 Ų10986.3 Ų86.367%0.66948%0.484SS*.Hα-helixtrans-72.2-34.1173.252.80000111.5N344 S345 Q350N344-T348 PolarHBondContact O-N 3.13Å; S345-T348 PolarHBondContact O-OG1 3.42Å; T348-Q350 VanDerWaalsContact C-N 3.32Å; T348-Q350 PolarHBondContact O-N 2.97Å
349A58Low58.3Low76 Ų7683.3 Ų83.363%0.62848%0.482SS*.Hα-helixtrans-69.5-22.5177.300000114.6S345S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 2.88Å
350Q52.5Low57.7Low122 Ų12288.4 Ų88.457%0.5751%0.512SS*.THydrogen-bonded Turntrans-943-178.7-78.3177.381.300114.7E346 T348 P352E346-Q350 WeakPolarHBondContact O-CG 3.04Å; E346-Q350 PolarHBondContact O-N 3.15Å; E346-Q350 PolarHBondContact O-NE2 3.44Å; T348-Q350 VanDerWaalsContact C-N 3.32Å; T348-Q350 PolarHBondContact O-N 2.97Å; Q350-P352 WeakPolarHBondContact O-CD 3.36Å
351S43.3Very low57Low91 Ų9194.1 Ų94.164%0.63655%0.545SS*.SBendtrans-92.3101.1172.9-630000109.4S353S351-S353 PolarHBondContact O-N 2.88Å
352P44Very low55.9Low107 Ų10793.8 Ų93.870%0.69555%0.546SS*.  trans-64.1128.617326.3-32.1000108.9Q350 L354Q350-P352 WeakPolarHBondContact O-CD 3.36Å; P352-L354 PolarHBondContact O-N 3.02Å
353S44.5Very low54.8Low109 Ų10990.1 Ų90.176%0.76255%0.546SS*.  trans-57.6105.9167.956.10000108.5S351 V355S351-S353 PolarHBondContact O-N 2.88Å; S353-V355 PolarHBondContact O-N 3.47Å; S353-V355 VanDerWaalsContact O-N 3.15Å
354L45.8Very low53.9Low169 Ų16997.3 Ų97.389%0.88559%0.59SS**  trans-72.5101.3162-67.8-178.8000106.8P352P352-L354 PolarHBondContact O-N 3.02Å
355V46.8Very low52.6Low201 Ų201103 Ų103100%1.21863%0.627SS**  trans-98.30156.2175.30000107.3S353S353-V355 PolarHBondContact O-N 3.47Å; S353-V355 VanDerWaalsContact O-N 3.15Å

Retrieved 355 of 355 residues in 59.3 ms (Link to these results)

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