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Adenylosuccinate lyase

Catalyzes two non-sequential steps in de novo AMP synthesis: converts (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate (SAICAR) to fumarate plus 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide, and thereby also contributes to de novo IMP synthesis, and converts succinyladenosine monophosphate (SAMP) to AMP and fumarate.

AlphaFold DB , UniProt , Accession X5DP48, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.1Very low57.7Low235 Ų235103.5 Ų103.5100%1.15868%0.681SS**  0122.40-63-175.4-158.600107.4A3M1-A3 PolarHBondContact O-N 2.76Å
2A31.9Very low60.8Low96 Ų96101.9 Ų101.979%0.79367%0.674SS**  trans-69.2125.3-177.200000109.5G4A2-G4 PolarHBondContact O-N 2.97Å
3A34.4Very low63.4Low83 Ų83107.1 Ų107.169%0.68667%0.673SS**  trans-65130.417200000108.9M1 G5M1-A3 PolarHBondContact O-N 2.76Å; A3-G5 PolarHBondContact O-N 3.22Å
4G34.1Very low65.5Low81 Ų81106.1 Ų106.184%0.83565%0.65SS**  trans-64.596.6-177.300000112.2A2A2-G4 PolarHBondContact O-N 2.97Å
5G45.7Very low67.4Low42 Ų42101.1 Ų101.143%0.43362%0.621SS.*  trans-90.3157.9157.600000109.5A3 H7A3-G5 PolarHBondContact O-N 3.22Å; G5-H7 VanDerWaalsContact C-N 3.29Å; G5-H7 PolarHBondContact O-CD2 2.84Å; G5-H7 VanDerWaalsContact O-CG 3.29Å; G5-H7 PolarHBondContact O-N 3.43Å; G5-H7 PolarHBondContact O-NE2 3.35Å
6D51.8Low69Low164 Ų16498.1 Ų98.188%0.87760%0.604SS**  trans-59.597165.5-178.57.4000108.3G8D6-G8 PolarHBondContact O-N 2.74Å; D6-G8 PolarHBondContact OD1-N 2.82Å
7H59.3Low70.3Confident80 Ų8093.1 Ų93.137%0.3757%0.572SS.*  trans-79.33.8-173.5-69.2-56.9000111.8G5 R14G5-H7 VanDerWaalsContact C-N 3.29Å; G5-H7 PolarHBondContact O-CD2 2.84Å; G5-H7 VanDerWaalsContact O-CG 3.29Å; G5-H7 PolarHBondContact O-N 3.43Å; G5-H7 PolarHBondContact O-NE2 3.35Å; H7-R14 WeakPolarHBondContact O-CD 3.39Å; H7-R14 PolarHBondContact O-NH1 3.35Å
8G75.3Confident71.3Confident42 Ų4291 Ų9143%0.43357%0.566SS.*  trans64.8170-172.400000112.9D6 R14D6-G8 PolarHBondContact O-N 2.74Å; D6-G8 PolarHBondContact OD1-N 2.82Å; G8-R14 PolarHBondContact O-NH1 3.22Å
9S86.6Confident72.3Confident64 Ų6488.4 Ų88.445%0.44855%0.551SS.*  trans-63.1138.4-178175.30000112.4D11 R14S9-D11 PolarHBondContact O-N 3Å; S9-D11 PolarHBondContact OG-N 2.92Å; S9-D11 VanDerWaalsContact OG-N 3.14Å; S9-R14 WeakPolarHBondContact O-CD 3.38Å; S9-R14 PolarHBondContact O-NE 3.22Å
10P90.3Very high73.2Confident100 Ų10092.7 Ų92.765%0.64956%0.556SS**THydrogen-bonded Turntrans-70.4-12.5172.431.8-36000113.7S12P10-S12 VanDerWaalsContact C-N 3.25Å; P10-S12 PolarHBondContact O-N 3.12Å
11D94.8Very high74Confident152 Ų15291 Ų9181%0.81354%0.541SS*.THydrogen-bonded Turntrans-80.7-4.7-175.1-55.3-24.8000113.3S9S9-D11 PolarHBondContact O-N 3Å; S9-D11 PolarHBondContact OG-N 2.92Å; S9-D11 VanDerWaalsContact OG-N 3.14Å
12S95.4Very high76.9Confident84 Ų8480.4 Ų80.459%0.58749%0.491SS*.SBendtrans-126.1157.4178.4-172.80000111.8P10 R14P10-S12 VanDerWaalsContact C-N 3.25Å; P10-S12 PolarHBondContact O-N 3.12Å; S12-R14 PolarHBondContact O-N 3.03Å
13Y94.4Very high79.7Confident169 Ų16976.2 Ų76.266%0.66346%0.456SS*.  trans-59.4132173.2168.3-97.8000110.4
14R92.7Very high82.6Confident94 Ų9476.4 Ų76.436%0.35545%0.45SS..  trans-127.6134.7174.4-65.7177-70.81641.4109H7 G8 S9 S12 P16H7-R14 WeakPolarHBondContact O-CD 3.39Å; H7-R14 PolarHBondContact O-NH1 3.35Å; G8-R14 PolarHBondContact O-NH1 3.22Å; S9-R14 WeakPolarHBondContact O-CD 3.38Å; S9-R14 PolarHBondContact O-NE 3.22Å; S12-R14 PolarHBondContact O-N 3.03Å; R14-P16 WeakPolarHBondContact O-CD 3.22Å
15S93.4Very high85.5Confident30 Ų3077.7 Ų77.721%0.2143%0.434CS..  trans-59123.2173.9179.20000109.5L17 A18 S19S15-L17 PolarHBondContact O-N 2.8Å; S15-L17 WeakPolarHBondContact OG-CB 3.44Å; S15-L17 PolarHBondContact OG-N 3.18Å; S15-A18 PolarHBondContact O-N 3.46Å; S15-S19 PolarHBondContact O-N 3.01Å; S15-S19 VanDerWaalsContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 2.99Å
16P93.1Very high87.9Confident54 Ų5475.8 Ų75.835%0.35141%0.414SS..Hα-helixtrans-65.1-19.5177.128.2-35.4000111.7R14 S19 R20 Y21R14-P16 WeakPolarHBondContact O-CD 3.22Å; P16-S19 WeakPolarHBondContact CA-OG 3.33Å; P16-R20 WeakPolarHBondContact O-CA 3.5Å; P16-R20 VanDerWaalsContact O-CB 3.31Å; P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 3.24Å; P16-Y21 HydrophobicContact CB-CD2 4.09Å; P16-Y21 HydrophobicContact CB-CE2 3.85Å; P16-Y21 HydrophobicContact CG-CE2 4.46Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.3Å; P16-Y21 PolarHBondContact O-N 3.49Å; P16-Y21 VanDerWaalsContact O-N 3.1Å
17L91.6Very high90Very high12 Ų1269.7 Ų69.76%0.06338%0.384CS..Iπ-helixtrans-59.7-50170.8-62176.1000110.3S15 Y21 A22 L307 R343 L346 P347S15-L17 PolarHBondContact O-N 2.8Å; S15-L17 WeakPolarHBondContact OG-CB 3.44Å; S15-L17 PolarHBondContact OG-N 3.18Å; L17-Y21 HydrophobicContact CD2-CD2 4.39Å; L17-Y21 CarbonylContact O-C 3.54Å; L17-Y21 PolarHBondContact O-N 3.19Å; L17-A22 WeakPolarHBondContact O-CB 3.46Å; L17-A22 PolarHBondContact O-N 3.47Å; L17-L307 HydrophobicContact CD2-CD2 4.21Å; L17-R343 HydrophobicContact CD1-CB 4.14Å; L17-R343 HydrophobicContact CD1-CG 3.84Å; L17-L346 HydrophobicContact CB-CB 3.92Å; L17-L346 HydrophobicContact CB-CD1 4.24Å; L17-L346 HydrophobicContact CD1-CB 4.19Å; L17-L346 HydrophobicContact CG-CB 4.48Å; L17-P347 HydrophobicContact CD2-CB 4.34Å; L17-P347 HydrophobicContact CD2-CG 3.96Å
18A89.1Confident91.8Very high56 Ų5670 Ų7046%0.46338%0.384SS..Iπ-helixtrans-74-41.7-179.900000113S15S15-A18 PolarHBondContact O-N 3.46Å
19S89.7Confident92.8Very high41 Ų4168.6 Ų68.629%0.28737%0.367SS..Iπ-helixtrans-84.9-16.2-172.263.50000114.8S15 P16S15-S19 PolarHBondContact O-N 3.01Å; S15-S19 VanDerWaalsContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 2.99Å; P16-S19 WeakPolarHBondContact CA-OG 3.33Å
20R89.3Confident93.4Very high174 Ų17467.7 Ų67.766%0.65736%0.355SS*.Iπ-helixtrans-139.3-33.3-170.4-172.4178.7176.382.6-1.2115.5P16P16-R20 WeakPolarHBondContact O-CA 3.5Å; P16-R20 VanDerWaalsContact O-CB 3.31Å; P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 3.24Å
21Y90.9Very high93.7Very high57 Ų5764.4 Ų64.422%0.22434%0.335CS..Iπ-helixtrans-120.4-10.9-163.6-59-52.6000116.7P16 L17 R303 L307 Q348P16-Y21 HydrophobicContact CB-CD2 4.09Å; P16-Y21 HydrophobicContact CB-CE2 3.85Å; P16-Y21 HydrophobicContact CG-CE2 4.46Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.3Å; P16-Y21 PolarHBondContact O-N 3.49Å; P16-Y21 VanDerWaalsContact O-N 3.1Å; L17-Y21 HydrophobicContact CD2-CD2 4.39Å; L17-Y21 CarbonylContact O-C 3.54Å; L17-Y21 PolarHBondContact O-N 3.19Å; Y21-R303 HydrophobicContact CE1-CG 4.39Å; Y21-L307 HydrophobicContact CD2-CD2 4.22Å; Y21-L307 HydrophobicContact CE2-CD2 4.44Å; Y21-L307 HydrophobicContact CG-CD1 4.41Å; Y21-Q348 WeakPolarHBondContact O-CB 3.49Å; Y21-Q348 WeakPolarHBondContact O-CG 3.48Å; Y21-Q348 PolarHBondContact O-N 2.85Å; Y21-Q348 PolarHBondContact O-OE1 2.95Å
22A90.9Very high93.9Very high14 Ų1461.9 Ų61.912%0.11632%0.321CS..SBendtrans-104.1152.6-178.400000110.7L17 C27 L346L17-A22 WeakPolarHBondContact O-CB 3.46Å; L17-A22 PolarHBondContact O-N 3.47Å; A22-C27 WeakPolarHBondContact CB-SG 3.29Å; A22-L346 HydrophobicContact CB-CB 4.03Å; A22-L346 HydrophobicContact CB-CD2 3.56Å; A22-L346 HydrophobicContact CB-CG 4.41Å; A22-L346 VanDerWaalsContact CB-O 3.28Å; A22-L346 WeakPolarHBondContact CB-O 3.36Å
23S91.9Very high94Very high8 Ų862.8 Ų62.86%0.05631%0.312CS..  trans-73.4148.4173.676.90000110.2E25 M26 C27 K134 Q348S23-E25 WeakPolarHBondContact CB-OE2 3.44Å; S23-E25 PolarHBondContact O-N 2.91Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-E25 PolarHBondContact OG-OE2 2.76Å; S23-M26 PolarHBondContact O-N 3.34Å; S23-C27 PolarHBondContact O-N 2.91Å; S23-K134 PolarHBondContact OG-NZ 3.04Å; S23-K134 VanDerWaalsContact OG-NZ 3.08Å; S23-Q348 VanDerWaalsContact CB-NE2 3.27Å; S23-Q348 VanDerWaalsContact N-CD 3.33Å; S23-Q348 VanDerWaalsContact N-NE2 3.14Å
24P93.4Very high94.2Very high87 Ų8756 Ų5657%0.56529%0.285SS*.Hα-helixtrans-53-36.4177.7-27.735.7000113.2C27 F28P24-C27 PolarHBondContact O-N 3.2Å; P24-F28 WeakPolarHBondContact O-CB 3.34Å; P24-F28 PolarHBondContact O-N 3.05Å
25E95.4Very high94.5Very high107 Ų10752.6 Ų52.650%0.527%0.273SS..Hα-helixtrans-66.5-40.1179.9-48.175.5-159.600111.6S23 F28 V29 L130S23-E25 WeakPolarHBondContact CB-OE2 3.44Å; S23-E25 PolarHBondContact O-N 2.91Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-E25 PolarHBondContact OG-OE2 2.76Å; E25-F28 PolarHBondContact O-N 2.87Å; E25-V29 WeakPolarHBondContact O-CG2 3.43Å; E25-V29 PolarHBondContact O-N 3.45Å; E25-V29 VanDerWaalsContact O-N 3.11Å; E25-L130 HydrophobicContact CB-CD1 4.13Å; E25-L130 HydrophobicContact CB-CD2 4.36Å
26M96.3Very high94.7Very high3 Ų351.9 Ų51.92%0.01527%0.266CS..Hα-helixtrans-72.4-40.4177.5-169.963.679.200111.1S23 F28 V29 F30 A127 L130 L131 F345 L346S23-M26 PolarHBondContact O-N 3.34Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 3.22Å; M26-V29 PolarHBondContact O-N 3.33Å; M26-F30 HydrophobicContact CG-CD2 4.43Å; M26-F30 HydrophobicContact CG-CE2 4.49Å; M26-F30 WeakPolarHBondContact O-CD2 3.4Å; M26-F30 PolarHBondContact O-N 3.47Å; M26-F30 HydrophobicContact SD-CD2 4.19Å; M26-F30 HydrophobicContact SD-CE2 3.81Å; M26-A127 HydrophobicContact CE-CB 4.24Å; M26-A127 HydrophobicContact SD-CB 3.77Å; M26-L130 HydrophobicContact CE-CB 3.83Å; M26-L130 HydrophobicContact CE-CD1 4.16Å; M26-L130 HydrophobicContact SD-CD1 4.17Å; M26-L131 HydrophobicContact CE-CD2 3.9Å; M26-L131 HydrophobicContact CE-CG 3.94Å; M26-F345 HydrophobicContact CE-CB 4.34Å; M26-F345 HydrophobicContact CE-CD1 4.37Å; M26-F345 HydrophobicContact CG-CB 4.46Å; M26-F345 HydrophobicContact SD-CB 3.92Å; M26-L346 HydrophobicContact CB-CD2 4.46Å; M26-L346 HydrophobicContact CG-CD2 3.95Å
27C95.4Very high95Very high35 Ų3553.1 Ų53.124%0.23626%0.264CS..Hα-helixtrans-57.6-42.6172.1-70.50000111.6A22 S23 P24 F30 S31A22-C27 WeakPolarHBondContact CB-SG 3.29Å; S23-C27 PolarHBondContact O-N 2.91Å; P24-C27 PolarHBondContact O-N 3.2Å; C27-F30 CarbonylContact O-C 3.48Å; C27-F30 PolarHBondContact O-N 2.94Å; C27-S31 PolarHBondContact O-N 3.49Å; C27-S31 VanDerWaalsContact O-N 3.15Å
28F97Very high95.4Very high87 Ų8752.9 Ų52.938%0.38226%0.263SS..Hα-helixtrans-64.9-43179.4-179.9-107.9000112.2P24 E25 M26 F30 S31 R33 Y34P24-F28 WeakPolarHBondContact O-CB 3.34Å; P24-F28 PolarHBondContact O-N 3.05Å; E25-F28 PolarHBondContact O-N 2.87Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 3.22Å; F28-F30 PolarHBondContact O-N 2.71Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.45Å; F28-S31 PolarHBondContact O-N 2.99Å; F28-S31 PolarHBondContact O-OG 3.03Å; F28-R33 HydrophobicContact CE2-CG 4.46Å; F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CE2 4.23Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 AromaticContact CZ-CD2 4Å; F28-Y34 HydrophobicContact CZ-CD2 4Å; F28-Y34 WeakPolarHBondContact O-CB 3.35Å
29V97.9Very high95.8Very high12 Ų1250.3 Ų50.37%0.07324%0.241CC..Hα-helixtrans-57.2-34.3177.41650000112.3E25 M26 Y34 I123 N126 A127 L130E25-V29 WeakPolarHBondContact O-CG2 3.43Å; E25-V29 PolarHBondContact O-N 3.45Å; E25-V29 VanDerWaalsContact O-N 3.11Å; M26-V29 PolarHBondContact O-N 3.33Å; V29-Y34 WeakPolarHBondContact O-CD1 3.43Å; V29-I123 HydrophobicContact CG1-CB 4.43Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; V29-N126 HydrophobicContact CG1-CB 4.5Å; V29-A127 HydrophobicContact CG1-CB 4.26Å; V29-L130 HydrophobicContact CG2-CD1 3.87Å
30F97.6Very high96.3Very high45 Ų4548.5 Ų48.520%0.19723%0.228CC..THydrogen-bonded Turntrans-96.712.1176-71.4-78.7000114.2M26 C27 F28 I123 A127 P342 F345M26-F30 HydrophobicContact CG-CD2 4.43Å; M26-F30 HydrophobicContact CG-CE2 4.49Å; M26-F30 WeakPolarHBondContact O-CD2 3.4Å; M26-F30 PolarHBondContact O-N 3.47Å; M26-F30 HydrophobicContact SD-CD2 4.19Å; M26-F30 HydrophobicContact SD-CE2 3.81Å; C27-F30 CarbonylContact O-C 3.48Å; C27-F30 PolarHBondContact O-N 2.94Å; F28-F30 PolarHBondContact O-N 2.71Å; F30-I123 HydrophobicContact CD1-CG2 3.59Å; F30-I123 HydrophobicContact CE1-CG2 3.27Å; F30-I123 HydrophobicContact CE2-CG2 4.36Å; F30-I123 HydrophobicContact CG-CG2 4.29Å; F30-I123 HydrophobicContact CZ-CG2 3.71Å; F30-A127 HydrophobicContact CE2-CB 3.87Å; F30-A127 HydrophobicContact CZ-CB 4.06Å; F30-P342 HydrophobicContact CB-CB 4.17Å; F30-P342 HydrophobicContact CD1-CB 3.65Å; F30-P342 HydrophobicContact CD1-CG 3.6Å; F30-P342 HydrophobicContact CD2-CB 4.47Å; F30-P342 HydrophobicContact CE1-CB 4.11Å; F30-P342 HydrophobicContact CE1-CG 4.05Å; F30-P342 HydrophobicContact CG-CB 3.84Å; F30-P342 HydrophobicContact CG-CG 4.24Å; F30-F345 HydrophobicContact CE2-CB 3.46Å; F30-F345 VanDerWaalsContact CE2-CB 3.46Å; F30-F345 HydrophobicContact CE2-CD2 4.2Å; F30-F345 AromaticContact CE2-CG 3.95Å; F30-F345 HydrophobicContact CE2-CG 3.95Å; F30-F345 HydrophobicContact CZ-CB 3.81Å; F30-F345 AromaticContact CZ-CD2 3.65Å; F30-F345 HydrophobicContact CZ-CD2 3.65Å; F30-F345 HydrophobicContact CZ-CE2 4.43Å; F30-F345 AromaticContact CZ-CG 3.87Å; F30-F345 HydrophobicContact CZ-CG 3.87Å
31S97.9Very high96.7Very high31 Ų3142.6 Ų42.622%0.21721%0.208CC..SBendtrans-79.5152.2179.371.70000112.3C27 F28 R33 Y34 K35C27-S31 PolarHBondContact O-N 3.49Å; C27-S31 VanDerWaalsContact O-N 3.15Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.45Å; F28-S31 PolarHBondContact O-N 2.99Å; F28-S31 PolarHBondContact O-OG 3.03Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-Y34 PolarHBondContact O-N 3.27Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; S31-Y34 WeakPolarHBondContact OG-CB 3.31Å; S31-Y34 PolarHBondContact OG-N 2.98Å; S31-Y34 VanDerWaalsContact OG-N 3.12Å; S31-K35 PolarHBondContact O-N 3.5Å
32D98Very high97.1Very high100 Ų10039.9 Ų39.954%0.53520%0.197SC..Hα-helixtrans-59.9-35.5173.1-73.4-40.4000112.1Y34 K35 F36 F74D32-Y34 PolarHBondContact O-N 2.9Å; D32-K35 PolarHBondContact O-N 3.43Å; D32-F36 HydrophobicContact CB-CD2 3.96Å; D32-F36 HydrophobicContact CB-CE2 3.79Å; D32-F36 WeakPolarHBondContact O-CD2 3.3Å; D32-F36 PolarHBondContact O-N 3.28Å; D32-F74 HydrophobicContact CB-CE1 4.07Å
33R98.3Very high97.5Very high102 Ų10239.3 Ų39.339%0.38519%0.192SC..Hα-helixtrans-57.2-50.7172.9177.8164.2-72-790.5111.4F28 S31 K35 R37 E70 F74F28-R33 HydrophobicContact CE2-CG 4.46Å; S31-R33 PolarHBondContact O-N 2.92Å; R33-K35 PolarHBondContact O-N 3.32Å; R33-R37 WeakPolarHBondContact O-CB 3.4Å; R33-R37 WeakPolarHBondContact O-CG 3.14Å; R33-R37 PolarHBondContact O-N 2.97Å; R33-E70 PolarHBondContact NH1-O 2.86Å; R33-E70 IonicContact NH1-OE2 3.57Å; R33-F74 HydrophobicContact CB-CZ 4.21Å
34Y98.6Very high97.8Very high26 Ų2639.1 Ų39.110%0.10219%0.19CC..Hα-helixtrans-64.2-40.1178.3-170.3-95.1000112.5F28 V29 S31 D32 R37 T38 I123 N126F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CE2 4.23Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 AromaticContact CZ-CD2 4Å; F28-Y34 HydrophobicContact CZ-CD2 4Å; F28-Y34 WeakPolarHBondContact O-CB 3.35Å; V29-Y34 WeakPolarHBondContact O-CD1 3.43Å; S31-Y34 PolarHBondContact O-N 3.27Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; S31-Y34 WeakPolarHBondContact OG-CB 3.31Å; S31-Y34 PolarHBondContact OG-N 2.98Å; S31-Y34 VanDerWaalsContact OG-N 3.12Å; D32-Y34 PolarHBondContact O-N 2.9Å; Y34-R37 WeakPolarHBondContact O-CG 3.43Å; Y34-T38 VanDerWaalsContact O-CB 3.26Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 3.17Å; Y34-T38 VanDerWaalsContact O-N 3.15Å; Y34-T38 PolarHBondContact O-OG1 2.98Å; Y34-I123 HydrophobicContact CD1-CD1 4.32Å; Y34-I123 HydrophobicContact CD1-CG1 3.86Å; Y34-I123 HydrophobicContact CE1-CG1 3.79Å; Y34-N126 PolarHBondContact OH-ND2 3.38Å
35K98.6Very high98.1Very high24 Ų2437.1 Ų37.110%0.10417%0.172CC..Hα-helixtrans-59.5-56.3175.7178.9-172.6171-166.50111.6S31 D32 R33 T38 W39 D87 T119S31-K35 PolarHBondContact O-N 3.5Å; D32-K35 PolarHBondContact O-N 3.43Å; R33-K35 PolarHBondContact O-N 3.32Å; K35-T38 WeakPolarHBondContact O-CB 3.47Å; K35-T38 PolarHBondContact O-N 3.38Å; K35-T38 VanDerWaalsContact O-N 3.15Å; K35-W39 PolarHBondContact O-N 3.33Å; K35-D87 IonicContact NZ-OD2 2.85Å; K35-T119 HydrophobicContact CG-CG2 4.15Å
36F98.8Very high98.3Very high14 Ų1432 Ų326%0.06115%0.148CC..Hα-helixtrans-77.5-28.5-170.5-62.8-57.2000113.8D32 T38 W39 R40 I72 F74 H91D32-F36 HydrophobicContact CB-CD2 3.96Å; D32-F36 HydrophobicContact CB-CE2 3.79Å; D32-F36 WeakPolarHBondContact O-CD2 3.3Å; D32-F36 PolarHBondContact O-N 3.28Å; F36-T38 VanDerWaalsContact C-N 3.28Å; F36-W39 AromaticContact CD1-CD2 3.88Å; F36-W39 HydrophobicContact CD1-CD2 3.88Å; F36-W39 AromaticContact CD1-CE3 3.64Å; F36-W39 HydrophobicContact CD1-CE3 3.64Å; F36-W39 HydrophobicContact CD1-CG 4.42Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CE1-CD2 4.31Å; F36-W39 AromaticContact CE1-CE3 3.9Å; F36-W39 HydrophobicContact CE1-CE3 3.9Å; F36-W39 AromaticContact CE1-CH2 3.91Å; F36-W39 HydrophobicContact CE1-CH2 3.91Å; F36-W39 HydrophobicContact CE1-CZ2 4.34Å; F36-W39 AromaticContact CE1-CZ3 3.64Å; F36-W39 HydrophobicContact CE1-CZ3 3.64Å; F36-W39 WeakPolarHBondContact O-CB 3.47Å; F36-W39 PolarHBondContact O-N 2.85Å; F36-R40 PolarHBondContact O-N 3.35Å; F36-R40 VanDerWaalsContact O-N 3.12Å; F36-I72 HydrophobicContact CB-CD1 4Å; F36-F74 HydrophobicContact CD2-CD1 4.4Å; F36-F74 AromaticContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CE2-CE1 4.29Å; F36-H91 AromaticContact CD1-CD2 3.77Å; F36-H91 AromaticContact CD1-CE1 3.3Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.21Å; F36-H91 AromaticContact CD1-CG 3.85Å; F36-H91 AromaticContact CD1-ND1 3.57Å; F36-H91 AromaticContact CD1-NE2 3.42Å; F36-H91 WeakPolarHBondContact CD1-NE2 2.88Å; F36-H91 AromaticContact CD2-CE1 3.57Å; F36-H91 AromaticContact CD2-NE2 3.87Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.59Å; F36-H91 AromaticContact CE1-NE2 3.17Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.23Å; F36-H91 AromaticContact CE2-CE1 3.85Å; F36-H91 AromaticContact CE2-NE2 3.66Å; F36-H91 AromaticContact CG-CE1 3.28Å; F36-H91 WeakPolarHBondContact CG-CE1 3.48Å; F36-H91 AromaticContact CG-ND1 3.78Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.85Å; F36-H91 AromaticContact CZ-NE2 3.29Å; F36-H91 VanDerWaalsContact CZ-NE2 3.29Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.31Å
37R98.7Very high98.4Very high80 Ų8032 Ų3230%0.30215%0.148SC..Hα-helixtrans-67.1-32.7167.266.7103.898.8171.98.9111.5R33 Y34 R40 Q41 E70 I72R33-R37 WeakPolarHBondContact O-CB 3.4Å; R33-R37 WeakPolarHBondContact O-CG 3.14Å; R33-R37 PolarHBondContact O-N 2.97Å; Y34-R37 WeakPolarHBondContact O-CG 3.43Å; R37-R40 PolarHBondContact O-N 2.85Å; R37-Q41 WeakPolarHBondContact O-CB 2.9Å; R37-Q41 PolarHBondContact O-N 3.22Å; R37-E70 IonicContact CZ-OE1 3.33Å; R37-E70 IonicContact NE-OE1 2.74Å; R37-E70 PolarHBondContact NE-OE1 3.4Å; R37-E70 IonicContact NE-OE2 3.18Å; R37-E70 IonicContact NH1-OE1 2.95Å; R37-E70 IonicContact NH2-OE1 2.99Å; R37-E70 PolarHBondContact NH2-OE1 3.15Å; R37-I72 HydrophobicContact CB-CD1 3.93Å
38T98.9Very high98.5Very high7 Ų732.1 Ų32.14%0.04315%0.145CC..Hα-helixtrans-70.3-35.7173.5-560000111.5Y34 K35 F36 R40 Q41 L42 T119 I122Y34-T38 VanDerWaalsContact O-CB 3.26Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 3.17Å; Y34-T38 VanDerWaalsContact O-N 3.15Å; Y34-T38 PolarHBondContact O-OG1 2.98Å; K35-T38 WeakPolarHBondContact O-CB 3.47Å; K35-T38 PolarHBondContact O-N 3.38Å; K35-T38 VanDerWaalsContact O-N 3.15Å; F36-T38 VanDerWaalsContact C-N 3.28Å; T38-R40 PolarHBondContact O-N 3.23Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.39Å; T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.85Å; T38-T119 HydrophobicContact CG2-CG2 3.85Å; T38-I122 HydrophobicContact CG2-CD1 3.79Å; T38-I122 HydrophobicContact CG2-CG2 4.39Å
39W98.9Very high98.6Very high3 Ų328 Ų281%0.01113%0.127CC..Hα-helixtrans-58.3-47.9170.8-73.618.1000111.4K35 F36 Q41 L42 W43 V88 H91 V115K35-W39 PolarHBondContact O-N 3.33Å; F36-W39 AromaticContact CD1-CD2 3.88Å; F36-W39 HydrophobicContact CD1-CD2 3.88Å; F36-W39 AromaticContact CD1-CE3 3.64Å; F36-W39 HydrophobicContact CD1-CE3 3.64Å; F36-W39 HydrophobicContact CD1-CG 4.42Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CE1-CD2 4.31Å; F36-W39 AromaticContact CE1-CE3 3.9Å; F36-W39 HydrophobicContact CE1-CE3 3.9Å; F36-W39 AromaticContact CE1-CH2 3.91Å; F36-W39 HydrophobicContact CE1-CH2 3.91Å; F36-W39 HydrophobicContact CE1-CZ2 4.34Å; F36-W39 AromaticContact CE1-CZ3 3.64Å; F36-W39 HydrophobicContact CE1-CZ3 3.64Å; F36-W39 WeakPolarHBondContact O-CB 3.47Å; F36-W39 PolarHBondContact O-N 2.85Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.38Å; W39-L42 PolarHBondContact O-N 3.22Å; W39-W43 HydrophobicContact CB-CE3 4.41Å; W39-W43 HydrophobicContact CB-CH2 4.27Å; W39-W43 HydrophobicContact CB-CZ3 4.02Å; W39-W43 HydrophobicContact CE3-CH2 4.09Å; W39-W43 PolarHBondContact O-N 3.38Å; W39-V88 HydrophobicContact CH2-CB 4.42Å; W39-V88 HydrophobicContact CH2-CG2 3.51Å; W39-V88 HydrophobicContact CZ2-CG2 4.18Å; W39-V88 HydrophobicContact CZ3-CB 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.75Å; W39-H91 HydrophobicContact CE3-CB 3.99Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W39-V115 HydrophobicContact CB-CB 4.05Å; W39-V115 HydrophobicContact CB-CG1 4.3Å; W39-V115 HydrophobicContact CD2-CB 3.96Å; W39-V115 HydrophobicContact CD2-CG2 3.72Å; W39-V115 HydrophobicContact CE3-CG2 4.01Å; W39-V115 HydrophobicContact CG-CB 3.71Å; W39-V115 HydrophobicContact CG-CG1 4.48Å; W39-V115 HydrophobicContact CG-CG2 4.03Å; W39-V115 HydrophobicContact CZ2-CG2 4.37Å; W39-V115 PolarHBondContact NE1-O 2.96Å
40R98.9Very high98.7Very high2 Ų227.4 Ų27.41%0.00812%0.124CC..Hα-helixtrans-61.8-40175.2-67.4-177.7176.1-161.73.1112.6F36 R37 T38 L42 W43 L44 N68 L69 N71 F95F36-R40 PolarHBondContact O-N 3.35Å; F36-R40 VanDerWaalsContact O-N 3.12Å; R37-R40 PolarHBondContact O-N 2.85Å; T38-R40 PolarHBondContact O-N 3.23Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.13Å; R40-W43 HydrophobicContact CG-CE3 4.2Å; R40-W43 HydrophobicContact CG-CZ3 4.3Å; R40-W43 PolarHBondContact O-N 2.95Å; R40-L44 PolarHBondContact O-N 3.35Å; R40-N68 PolarHBondContact NH1-O 2.69Å; R40-L69 HydrophobicContact CB-CD2 3.75Å; R40-L69 WeakPolarHBondContact CD-O 3.48Å; R40-N71 VanDerWaalsContact NH1-C 3.26Å; R40-N71 PolarHBondContact NH1-O 2.88Å; R40-N71 PolarHBondContact NH2-O 3.23Å; R40-F95 HydrophobicContact CB-CD1 4.47Å; R40-F95 HydrophobicContact CB-CE1 4Å; R40-F95 HydrophobicContact CB-CE2 4.39Å; R40-F95 HydrophobicContact CB-CZ 3.95Å; R40-F95 HydrophobicContact CG-CD1 3.9Å; R40-F95 HydrophobicContact CG-CD2 4.01Å; R40-F95 HydrophobicContact CG-CE1 3.9Å; R40-F95 HydrophobicContact CG-CE2 4.01Å; R40-F95 HydrophobicContact CG-CG 3.96Å; R40-F95 HydrophobicContact CG-CZ 3.95Å
41Q98.9Very high98.7Very high51 Ų5127.8 Ų27.824%0.23813%0.126CC..Hα-helixtrans-62.8-40.1175.5-176.361.579.400112.3R37 T38 W39 L44 W45R37-Q41 WeakPolarHBondContact O-CB 2.9Å; R37-Q41 PolarHBondContact O-N 3.22Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.39Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.38Å; Q41-L44 WeakPolarHBondContact O-CB 3.41Å; Q41-L44 PolarHBondContact O-N 3.08Å; Q41-W45 HydrophobicContact CG-CD2 4.09Å; Q41-W45 HydrophobicContact CG-CE3 4.36Å; Q41-W45 HydrophobicContact CG-CH2 3.71Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.17Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 3.13Å
42L98.9Very high98.8Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-67-41.3175.8-74163.7000111.6T38 W39 R40 L44 W45 L46 Y114 V115 N118 T119 I122 F195T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.85Å; W39-L42 PolarHBondContact O-N 3.22Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.13Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.94Å; L42-W45 HydrophobicContact CG-CE3 4.47Å; L42-W45 PolarHBondContact O-N 3.4Å; L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 PolarHBondContact O-N 3.43Å; L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.26Å; L42-Y114 PolarHBondContact O-OH 2.66Å; L42-V115 HydrophobicContact CB-CG1 4.16Å; L42-V115 HydrophobicContact CD1-CB 4.5Å; L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 3.98Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.43Å; L42-I122 HydrophobicContact CD2-CD1 4.28Å; L42-F195 HydrophobicContact CD2-CZ 3.81Å
43W98.9Very high98.8Very high2 Ų226.7 Ų26.71%0.00812%0.121CC..Hα-helixtrans-63.2-38.7172.8-73.2-48.3000112.3W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115W39-W43 HydrophobicContact CB-CE3 4.41Å; W39-W43 HydrophobicContact CB-CH2 4.27Å; W39-W43 HydrophobicContact CB-CZ3 4.02Å; W39-W43 HydrophobicContact CE3-CH2 4.09Å; W39-W43 PolarHBondContact O-N 3.38Å; R40-W43 HydrophobicContact CG-CE3 4.2Å; R40-W43 HydrophobicContact CG-CZ3 4.3Å; R40-W43 PolarHBondContact O-N 2.95Å; W43-L46 WeakPolarHBondContact O-CB 3.17Å; W43-L46 PolarHBondContact O-N 2.96Å; W43-A47 PolarHBondContact O-N 2.84Å; W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.85Å; W43-M65 WeakPolarHBondContact O-CE 3.41Å; W43-V88 HydrophobicContact CZ2-CG1 3.94Å; W43-H91 HydrophobicContact CH2-CB 3.95Å; W43-H91 HydrophobicContact CZ3-CB 4.38Å; W43-V92 HydrophobicContact CH2-CG2 3.85Å; W43-V92 HydrophobicContact CZ2-CG2 3.41Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.41Å; W43-F95 AromaticContact CE3-CD1 3.78Å; W43-F95 HydrophobicContact CE3-CD1 3.78Å; W43-F95 HydrophobicContact CE3-CE1 4.31Å; W43-F95 HydrophobicContact CZ3-CD1 4.35Å; W43-I106 HydrophobicContact CD2-CG2 3.98Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; W43-H107 AromaticContact CD1-ND1 3.85Å; W43-H107 AromaticContact NE1-CE1 3.98Å; W43-H107 AromaticContact NE1-CG 3.49Å; W43-H107 AromaticContact NE1-ND1 3Å; W43-H107 PolarHBondContact NE1-ND1 3.22Å; W43-V115 HydrophobicContact CD2-CG1 3.97Å; W43-V115 VanDerWaalsContact CE2-CG1 3.49Å; W43-V115 HydrophobicContact CG-CG1 4.21Å; W43-V115 HydrophobicContact CZ2-CB 4.47Å; W43-V115 HydrophobicContact CZ2-CG1 3.85Å; W43-V115 HydrophobicContact CZ2-CG2 3.98Å
44L98.9Very high98.8Very high3 Ų324.8 Ų24.82%0.01613%0.133CC..Hα-helixtrans-61.4-48.4173.9175.763.4000111.4R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69R40-L44 PolarHBondContact O-N 3.35Å; Q41-L44 WeakPolarHBondContact O-CB 3.41Å; Q41-L44 PolarHBondContact O-N 3.08Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.26Å; L44-L46 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 3.09Å; L44-E48 HydrophobicContact CD1-CG 4.19Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.32Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.12Å; L44-I62 HydrophobicContact CD1-CG2 3.72Å; L44-M65 HydrophobicContact CD1-CB 4.14Å; L44-K66 HydrophobicContact CD1-CB 4.16Å; L44-K66 HydrophobicContact CD2-CB 3.86Å; L44-K66 HydrophobicContact CD2-CD 4.5Å; L44-K66 HydrophobicContact CD2-CG 3.95Å; L44-L69 HydrophobicContact CB-CD2 4.21Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.14Å; L44-L69 HydrophobicContact CD2-CG 4.41Å
45W98.9Very high98.8Very high45 Ų4524.5 Ų24.517%0.1713%0.133CC..Hα-helixtrans-63-33.2177.3-68.4-25000113.2Q41 L42 A49 I122 K229 A230Q41-W45 HydrophobicContact CG-CD2 4.09Å; Q41-W45 HydrophobicContact CG-CE3 4.36Å; Q41-W45 HydrophobicContact CG-CH2 3.71Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.17Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 3.13Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.94Å; L42-W45 HydrophobicContact CG-CE3 4.47Å; L42-W45 PolarHBondContact O-N 3.4Å; W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 2.92Å; W45-A49 VanDerWaalsContact O-N 3.12Å; W45-I122 HydrophobicContact CZ3-CD1 4.24Å; W45-K229 HydrophobicContact CB-CB 4.25Å; W45-K229 HydrophobicContact CB-CD 3.81Å; W45-K229 HydrophobicContact CD2-CB 3.86Å; W45-K229 HydrophobicContact CE3-CB 4.41Å; W45-K229 HydrophobicContact CG-CB 3.77Å; W45-K229 HydrophobicContact CG-CD 3.92Å; W45-K229 HydrophobicContact CG-CG 4.39Å; W45-K229 WeakPolarHBondContact CZ2-O 3.48Å; W45-A230 HydrophobicContact CE3-CB 4.16Å; W45-A230 HydrophobicContact CH2-CB 4.29Å; W45-A230 HydrophobicContact CZ3-CB 3.63Å
46L98.9Very high98.8Very high1 Ų129 Ų291%0.00517%0.165CC..Hα-helixtrans-63-54.7173.7-173.664.3000110L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222 V226L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 PolarHBondContact O-N 3.43Å; W43-L46 WeakPolarHBondContact O-CB 3.17Å; W43-L46 PolarHBondContact O-N 2.96Å; L44-L46 VanDerWaalsContact C-N 3.26Å; L44-L46 PolarHBondContact O-N 3.39Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.38Å; L46-A49 PolarHBondContact O-N 3.27Å; L46-A49 VanDerWaalsContact O-N 3.11Å; L46-E50 HydrophobicContact CD1-CG 4.28Å; L46-E50 HydrophobicContact CG-CG 4.31Å; L46-E50 WeakPolarHBondContact O-CB 3.4Å; L46-E50 WeakPolarHBondContact O-CG 3.32Å; L46-E50 PolarHBondContact O-N 3.38Å; L46-A110 HydrophobicContact CD2-CB 3.94Å; L46-Y114 HydrophobicContact CB-CE1 3.88Å; L46-Y114 HydrophobicContact CD1-CE1 4.49Å; L46-Y114 HydrophobicContact CD1-CE2 4.45Å; L46-Y114 HydrophobicContact CD2-CD1 4.19Å; L46-Y114 HydrophobicContact CD2-CE1 3.86Å; L46-Y114 HydrophobicContact CG-CE1 4.31Å; L46-V198 HydrophobicContact CD1-CG1 3.78Å; L46-F208 HydrophobicContact CD1-CE1 4.15Å; L46-F208 HydrophobicContact CD1-CZ 4.37Å; L46-L222 HydrophobicContact CD1-CD1 4.2Å; L46-L222 HydrophobicContact CD1-CD2 4.26Å; L46-V226 HydrophobicContact CD1-CG1 4.49Å
47A98.9Very high98.8Very high2 Ų228.9 Ų28.92%0.01717%0.165CC..Hα-helixtrans-60.1-41.7-179.200000112.5W43 L44 A49 Q51 I57 I62 M65 I105W43-A47 PolarHBondContact O-N 2.84Å; L44-A47 PolarHBondContact O-N 3.09Å; A47-A49 PolarHBondContact O-N 2.71Å; A47-Q51 VanDerWaalsContact O-CB 3.29Å; A47-Q51 WeakPolarHBondContact O-CB 3.32Å; A47-Q51 PolarHBondContact O-N 3.11Å; A47-I57 HydrophobicContact CB-CD1 4.34Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; A47-I62 HydrophobicContact CB-CG1 4.28Å; A47-M65 HydrophobicContact CB-CE 4.12Å; A47-M65 HydrophobicContact CB-SD 4.01Å; A47-I105 HydrophobicContact CB-CD1 4.15Å
48E98.9Very high98.8Very high37 Ų3728.5 Ų28.517%0.17317%0.172CC..Hα-helixtrans-60.6-42174.9-73.2174.2169.800112.4L44 L46 T52 I62 K229L44-E48 HydrophobicContact CD1-CG 4.19Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.32Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.12Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.38Å; E48-T52 PolarHBondContact O-N 3.29Å; E48-T52 PolarHBondContact O-OG1 2.92Å; E48-I62 HydrophobicContact CG-CD1 4.27Å; E48-I62 HydrophobicContact CG-CG2 3.8Å; E48-K229 IonicContact OE2-NZ 2.74Å; E48-K229 PolarHBondContact OE2-NZ 3Å
49A98.9Very high98.8Very high0 Ų033.8 Ų33.80%020%0.2CC..Hα-helixtrans-73.8-42.918000000111.7W45 L46 A47 Q51 T52 L53 L222 M225 V226W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 2.92Å; W45-A49 VanDerWaalsContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 3.27Å; L46-A49 VanDerWaalsContact O-N 3.11Å; A47-A49 PolarHBondContact O-N 2.71Å; A49-Q51 VanDerWaalsContact C-N 3.35Å; A49-Q51 PolarHBondContact O-N 2.97Å; A49-T52 WeakPolarHBondContact O-CB 3.5Å; A49-T52 PolarHBondContact O-N 3.05Å; A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.36Å; A49-L53 PolarHBondContact O-N 3.48Å; A49-L222 HydrophobicContact CB-CD1 3.49Å; A49-L222 VanDerWaalsContact CB-CD1 3.49Å; A49-M225 HydrophobicContact CB-CB 3.95Å; A49-M225 HydrophobicContact CB-CE 4Å; A49-M225 HydrophobicContact CB-SD 4.21Å; A49-V226 HydrophobicContact CB-CG1 4.22Å
50E98.9Very high98.8Very high1 Ų139.3 Ų39.31%0.00523%0.226CC..Hα-helixtrans-59.3-43.3174.9-76.6-178.7156.700112.1L46 L53 G54 L55 I57 L222L46-E50 HydrophobicContact CD1-CG 4.28Å; L46-E50 HydrophobicContact CG-CG 4.31Å; L46-E50 WeakPolarHBondContact O-CB 3.4Å; L46-E50 WeakPolarHBondContact O-CG 3.32Å; L46-E50 PolarHBondContact O-N 3.38Å; E50-L53 CarbonylContact O-C 3.57Å; E50-L53 PolarHBondContact O-N 3.39Å; E50-G54 PolarHBondContact O-N 3.32Å; E50-L55 HydrophobicContact CB-CB 4.27Å; E50-L55 HydrophobicContact CB-CD1 3.73Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.77Å; E50-L55 WeakPolarHBondContact O-CB 3.37Å; E50-L55 PolarHBondContact O-N 3.33Å; E50-I57 HydrophobicContact CB-CD1 3.53Å; E50-L222 HydrophobicContact CG-CD1 4.01Å; E50-L222 HydrophobicContact CG-CD2 4.29Å
51Q98.8Very high98.8Very high53 Ų5340.6 Ų40.625%0.24823%0.232CC..Hα-helixtrans-58.1-48.9172.8-178.6-172.757.900111.3A47 A49 L53 G54 I57 D59 I62A47-Q51 VanDerWaalsContact O-CB 3.29Å; A47-Q51 WeakPolarHBondContact O-CB 3.32Å; A47-Q51 PolarHBondContact O-N 3.11Å; A49-Q51 VanDerWaalsContact C-N 3.35Å; A49-Q51 PolarHBondContact O-N 2.97Å; Q51-L53 PolarHBondContact O-N 3.36Å; Q51-G54 PolarHBondContact O-N 3.48Å; Q51-I57 HydrophobicContact CB-CB 3.98Å; Q51-I57 HydrophobicContact CB-CG2 4.25Å; Q51-I57 HydrophobicContact CG-CB 4.42Å; Q51-I57 WeakPolarHBondContact CG-O 3.49Å; Q51-I57 PolarHBondContact NE2-O 2.96Å; Q51-D59 PolarHBondContact NE2-OD1 3.35Å; Q51-D59 PolarHBondContact OE1-OD1 3.16Å; Q51-I62 HydrophobicContact CB-CD1 3.95Å; Q51-I62 HydrophobicContact CG-CD1 4.25Å
52T98.8Very high98.7Very high95 Ų9539 Ų3958%0.58322%0.224SC*.Hα-helixtrans-59.8-31.6180-56.60000111.8E48 A49 G54 M225E48-T52 PolarHBondContact O-N 3.29Å; E48-T52 PolarHBondContact O-OG1 2.92Å; A49-T52 WeakPolarHBondContact O-CB 3.5Å; A49-T52 PolarHBondContact O-N 3.05Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-M225 HydrophobicContact CG2-CE 3.74Å
53L98.7Very high98.7Very high12 Ų1244 Ų446%0.06325%0.248CC..THydrogen-bonded Turntrans-86.43.2178.9-64.3170.9000113.8A49 E50 Q51 F212 K218 Q221 L222 M225A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.36Å; A49-L53 PolarHBondContact O-N 3.48Å; E50-L53 CarbonylContact O-C 3.57Å; E50-L53 PolarHBondContact O-N 3.39Å; Q51-L53 PolarHBondContact O-N 3.36Å; L53-F212 HydrophobicContact CB-CE1 3.78Å; L53-F212 HydrophobicContact CB-CZ 4.07Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.92Å; L53-K218 WeakPolarHBondContact CD1-O 3.41Å; L53-K218 HydrophobicContact CD2-CG 4.46Å; L53-K218 PolarHBondContact O-NZ 3.16Å; L53-Q221 HydrophobicContact CD2-CB 3.88Å; L53-L222 HydrophobicContact CD1-CB 3.6Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.39Å; L53-M225 HydrophobicContact CD1-SD 4.37Å; L53-M225 HydrophobicContact CD2-SD 4.34Å; L53-M225 HydrophobicContact CG-SD 4.25Å
54G98.2Very high98.7Very high62 Ų6245.5 Ų45.564%0.63926%0.255SS*.THydrogen-bonded Turntrans95.413.4170.400000115.4E50 Q51 T52E50-G54 PolarHBondContact O-N 3.32Å; Q51-G54 PolarHBondContact O-N 3.48Å; T52-G54 VanDerWaalsContact C-N 3.29Å
55L98.5Very high98.7Very high21 Ų2145.4 Ų45.411%0.1125%0.254CS..  trans-71.3150.2169.5-70.8177000110.7E50 I57 L108 L211 F212E50-L55 HydrophobicContact CB-CB 4.27Å; E50-L55 HydrophobicContact CB-CD1 3.73Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.77Å; E50-L55 WeakPolarHBondContact O-CB 3.37Å; E50-L55 PolarHBondContact O-N 3.33Å; L55-I57 HydrophobicContact CB-CD1 4.43Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; L55-I57 PolarHBondContact O-N 3.1Å; L55-L108 HydrophobicContact CD1-CD2 4.38Å; L55-L211 HydrophobicContact CD1-CD2 3.69Å; L55-L211 HydrophobicContact CD2-CD2 3.9Å; L55-L211 HydrophobicContact CG-CD2 4.48Å; L55-F212 HydrophobicContact CD1-CE1 3.73Å; L55-F212 HydrophobicContact CD1-CZ 3.85Å; L55-F212 HydrophobicContact CD2-CD1 4.39Å; L55-F212 HydrophobicContact CD2-CE1 4.23Å; L55-F212 HydrophobicContact CG-CD1 4.33Å; L55-F212 HydrophobicContact CG-CE1 3.68Å; L55-F212 HydrophobicContact CG-CZ 4.31Å
56P98.2Very high98.7Very high119 Ų11948.6 Ų48.677%0.77327%0.269SS*.SBendtrans-75.270.3-173.632.1-37.4000112
57I98.8Very high98.7Very high10 Ų1052.3 Ų52.35%0.05130%0.296CS..  trans-118.1128.1179.2-59.3177.6000108.2A47 E50 Q51 L55 I62 I105A47-I57 HydrophobicContact CB-CD1 4.34Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; E50-I57 HydrophobicContact CB-CD1 3.53Å; Q51-I57 HydrophobicContact CB-CB 3.98Å; Q51-I57 HydrophobicContact CB-CG2 4.25Å; Q51-I57 HydrophobicContact CG-CB 4.42Å; Q51-I57 WeakPolarHBondContact CG-O 3.49Å; Q51-I57 PolarHBondContact NE2-O 2.96Å; L55-I57 HydrophobicContact CB-CD1 4.43Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; L55-I57 PolarHBondContact O-N 3.1Å; I57-I62 HydrophobicContact CG2-CD1 3.99Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; I57-I105 HydrophobicContact CG1-CB 4.39Å; I57-I105 HydrophobicContact CG1-CG2 4.31Å; I57-I105 HydrophobicContact CG2-CG1 4.5Å
58T98.8Very high98.7Very high73 Ų7353.5 Ų53.545%0.44830%0.302SS..  trans-94.5154.1-177.3720000112.1E60 Q61 I62T58-E60 PolarHBondContact O-N 2.9Å; T58-Q61 WeakPolarHBondContact O-CB 3.41Å; T58-Q61 PolarHBondContact O-N 2.92Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.45Å; T58-Q61 PolarHBondContact OG1-N 3.37Å; T58-I62 PolarHBondContact O-N 2.67Å
59D98.7Very high98.7Very high117 Ų11752.8 Ų52.863%0.62630%0.299SS*.Hα-helixtrans-58.7-32.2174.7-67.6-15.7000111.9Q51 I62 Q63Q51-D59 PolarHBondContact NE2-OD1 3.35Å; Q51-D59 PolarHBondContact OE1-OD1 3.16Å; D59-I62 PolarHBondContact O-N 2.86Å; D59-Q63 WeakPolarHBondContact O-CB 3.33Å; D59-Q63 PolarHBondContact O-N 3.13Å
60E98.6Very high98.6Very high120 Ų12056.8 Ų56.856%0.56132%0.318SS*.Hα-helixtrans-62.7-41.5175.3-65.8-170.7-166.300112.1T58 E64 K101T58-E60 PolarHBondContact O-N 2.9Å; E60-E64 VanDerWaalsContact O-CB 3.3Å; E60-E64 WeakPolarHBondContact O-CB 3.43Å; E60-E64 PolarHBondContact O-N 3.39Å; E60-K101 IonicContact OE2-NZ 2.71Å; E60-K101 PolarHBondContact OE2-NZ 3.27Å
61Q98.8Very high98.6Very high29 Ų2961.1 Ų61.114%0.13634%0.341CS..Hα-helixtrans-64.8-46.4177.2-69172.7-49.600110.9T58 Q63 E64 M65 K101 A102 I105T58-Q61 WeakPolarHBondContact O-CB 3.41Å; T58-Q61 PolarHBondContact O-N 2.92Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.45Å; T58-Q61 PolarHBondContact OG1-N 3.37Å; Q61-Q63 PolarHBondContact O-N 3.41Å; Q61-E64 PolarHBondContact O-N 2.96Å; Q61-M65 WeakPolarHBondContact O-CG 3.44Å; Q61-M65 PolarHBondContact O-N 2.94Å; Q61-K101 HydrophobicContact CG-CB 4.26Å; Q61-K101 WeakPolarHBondContact CG-O 3.48Å; Q61-K101 PolarHBondContact NE2-O 3.24Å; Q61-A102 HydrophobicContact CB-CB 3.96Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; Q61-I105 HydrophobicContact CB-CG1 4.44Å
62I98.8Very high98.6Very high16 Ų1659.2 Ų59.28%0.08233%0.333CS..Hα-helixtrans-62.2-44.7177.8-70.4172.7000110.8L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66L44-I62 HydrophobicContact CD1-CG2 3.72Å; A47-I62 HydrophobicContact CB-CG1 4.28Å; E48-I62 HydrophobicContact CG-CD1 4.27Å; E48-I62 HydrophobicContact CG-CG2 3.8Å; Q51-I62 HydrophobicContact CB-CD1 3.95Å; Q51-I62 HydrophobicContact CG-CD1 4.25Å; I57-I62 HydrophobicContact CG2-CD1 3.99Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; T58-I62 PolarHBondContact O-N 2.67Å; D59-I62 PolarHBondContact O-N 2.86Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.19Å; I62-M65 PolarHBondContact O-N 3.04Å; I62-K66 WeakPolarHBondContact O-CB 3.43Å; I62-K66 PolarHBondContact O-N 3.46Å
63Q98.8Very high98.6Very high105 Ų10558.5 Ų58.549%0.49133%0.325SS..Hα-helixtrans-66.3-36.3179.4-174.256.247.900112D59 Q61 K66 S67D59-Q63 WeakPolarHBondContact O-CB 3.33Å; D59-Q63 PolarHBondContact O-N 3.13Å; Q61-Q63 PolarHBondContact O-N 3.41Å; Q63-K66 PolarHBondContact O-N 3.13Å; Q63-S67 PolarHBondContact NE2-OG 2.66Å; Q63-S67 WeakPolarHBondContact O-CB 3.38Å; Q63-S67 PolarHBondContact O-N 2.96Å; Q63-S67 PolarHBondContact O-OG 3.07Å
64E98.7Very high98.5Very high35 Ų3561.4 Ų61.416%0.16434%0.337CS..Hα-helixtrans-63.1-46.9174.1-170.9-179-116.200111.3E60 Q61 I62 K66 S67 N68 C99 P100 K101 A102E60-E64 VanDerWaalsContact O-CB 3.3Å; E60-E64 WeakPolarHBondContact O-CB 3.43Å; E60-E64 PolarHBondContact O-N 3.39Å; Q61-E64 PolarHBondContact O-N 2.96Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.19Å; E64-K66 PolarHBondContact O-N 3.31Å; E64-S67 PolarHBondContact O-N 3.04Å; E64-N68 PolarHBondContact O-N 3.09Å; E64-N68 PolarHBondContact O-ND2 2.93Å; E64-C99 VanDerWaalsContact CD-CA 3.43Å; E64-C99 HydrophobicContact CG-CB 3.89Å; E64-C99 WeakPolarHBondContact OE2-CA 3.42Å; E64-C99 WeakPolarHBondContact OE2-CB 3.27Å; E64-P100 WeakPolarHBondContact OE1-CD 3.42Å; E64-K101 WeakPolarHBondContact OE2-CA 3.45Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.47Å; E64-K101 PolarHBondContact OE2-N 2.64Å; E64-A102 PolarHBondContact OE2-N 2.9Å
65M98.8Very high98.5Very high0 Ų065.5 Ų65.50%034%0.337CS..Hα-helixtrans-59.4-47.2174.8-68.7170.471.500111.6W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.85Å; W43-M65 WeakPolarHBondContact O-CE 3.41Å; L44-M65 HydrophobicContact CD1-CB 4.14Å; A47-M65 HydrophobicContact CB-CE 4.12Å; A47-M65 HydrophobicContact CB-SD 4.01Å; Q61-M65 WeakPolarHBondContact O-CG 3.44Å; Q61-M65 PolarHBondContact O-N 2.94Å; I62-M65 PolarHBondContact O-N 3.04Å; M65-S67 VanDerWaalsContact C-N 3.31Å; M65-S67 PolarHBondContact O-N 3.06Å; M65-N68 CarbonylContact O-C 3.6Å; M65-N68 PolarHBondContact O-N 3.32Å; M65-N68 VanDerWaalsContact O-N 3.1Å; M65-L69 PolarHBondContact O-N 3.33Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.84Å; M65-F95 HydrophobicContact CE-CE1 3.95Å; M65-F95 HydrophobicContact CG-CE1 4.16Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.86Å; M65-I105 HydrophobicContact SD-CD1 3.64Å; M65-I106 HydrophobicContact CE-CG1 4.07Å; M65-I106 HydrophobicContact SD-CG1 4.28Å
66K98.7Very high98.5Very high112 Ų11266 Ų6649%0.48734%0.34SS..Hα-helixtrans-61.3-38.2-179.5-172.9174.3-177.1175.20112.7L44 I62 Q63 E64 N68 L69L44-K66 HydrophobicContact CD1-CB 4.16Å; L44-K66 HydrophobicContact CD2-CB 3.86Å; L44-K66 HydrophobicContact CD2-CD 4.5Å; L44-K66 HydrophobicContact CD2-CG 3.95Å; I62-K66 WeakPolarHBondContact O-CB 3.43Å; I62-K66 PolarHBondContact O-N 3.46Å; Q63-K66 PolarHBondContact O-N 3.13Å; E64-K66 PolarHBondContact O-N 3.31Å; K66-N68 PolarHBondContact O-N 3.33Å; K66-L69 WeakPolarHBondContact O-CG 3.28Å
67S98.6Very high98.5Very high80 Ų8060.4 Ų60.456%0.55930%0.304SS*.Hα-helixtrans-70.6-17.9179-53.90000112.7Q63 E64 M65Q63-S67 PolarHBondContact NE2-OG 2.66Å; Q63-S67 WeakPolarHBondContact O-CB 3.38Å; Q63-S67 PolarHBondContact O-N 2.96Å; Q63-S67 PolarHBondContact O-OG 3.07Å; E64-S67 PolarHBondContact O-N 3.04Å; M65-S67 VanDerWaalsContact C-N 3.31Å; M65-S67 PolarHBondContact O-N 3.06Å
68N98.8Very high98.4Very high26 Ų2662.7 Ų62.714%0.13932%0.324CS..THydrogen-bonded Turntrans-11414.7-174.8-74.7-74.2000114.2R40 E64 M65 K66 E70 N71 F95R40-N68 PolarHBondContact NH1-O 2.69Å; E64-N68 PolarHBondContact O-N 3.09Å; E64-N68 PolarHBondContact O-ND2 2.93Å; M65-N68 CarbonylContact O-C 3.6Å; M65-N68 PolarHBondContact O-N 3.32Å; M65-N68 VanDerWaalsContact O-N 3.1Å; K66-N68 PolarHBondContact O-N 3.33Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 3.33Å; N68-N71 HydrophobicContact CB-CB 4.28Å; N68-N71 PolarHBondContact O-N 3.34Å; N68-N71 PolarHBondContact OD1-ND2 2.93Å; N68-F95 HydrophobicContact CB-CE2 3.91Å
69L98.5Very high98.4Very high23 Ų2364.7 Ų64.712%0.1233%0.328CS..SBendtrans-57.5-38.7-178.5-66.3179.1000113.7R40 L44 M65 K66R40-L69 HydrophobicContact CB-CD2 3.75Å; R40-L69 WeakPolarHBondContact CD-O 3.48Å; L44-L69 HydrophobicContact CB-CD2 4.21Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.14Å; L44-L69 HydrophobicContact CD2-CG 4.41Å; M65-L69 PolarHBondContact O-N 3.33Å; K66-L69 WeakPolarHBondContact O-CG 3.28Å
70E98.1Very high98.3Very high83 Ų8360.7 Ų60.739%0.38831%0.306SS..SBendtrans-96-10.7-178.4-61.8-65.9163.100113.5R33 R37 N68 I72R33-E70 PolarHBondContact NH1-O 2.86Å; R33-E70 IonicContact NH1-OE2 3.57Å; R37-E70 IonicContact CZ-OE1 3.33Å; R37-E70 IonicContact NE-OE1 2.74Å; R37-E70 PolarHBondContact NE-OE1 3.4Å; R37-E70 IonicContact NE-OE2 3.18Å; R37-E70 IonicContact NH1-OE1 2.95Å; R37-E70 IonicContact NH2-OE1 2.99Å; R37-E70 PolarHBondContact NH2-OE1 3.15Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 3.33Å; E70-I72 VanDerWaalsContact C-N 3.27Å; E70-I72 PolarHBondContact O-N 3.27Å
71N98.3Very high98.3Very high93 Ų9359 Ų5950%0.49730%0.298SS..  trans-80.664.9-176.4-175.823.3000112R40 N68R40-N71 VanDerWaalsContact NH1-C 3.26Å; R40-N71 PolarHBondContact NH1-O 2.88Å; R40-N71 PolarHBondContact NH2-O 3.23Å; N68-N71 HydrophobicContact CB-CB 4.28Å; N68-N71 PolarHBondContact O-N 3.34Å; N68-N71 PolarHBondContact OD1-ND2 2.93Å
72I98.4Very high98.2Very high13 Ų1366.1 Ų66.17%0.06733%0.328CS..  trans-98.5113.1-172.8-56.3162.9000110.3F36 R37 E70 F74F36-I72 HydrophobicContact CB-CD1 4Å; R37-I72 HydrophobicContact CB-CD1 3.93Å; E70-I72 VanDerWaalsContact C-N 3.27Å; E70-I72 PolarHBondContact O-N 3.27Å; I72-F74 HydrophobicContact CB-CD2 4.31Å; I72-F74 HydrophobicContact CB-CE2 3.83Å; I72-F74 HydrophobicContact CB-CZ 4.21Å; I72-F74 HydrophobicContact CD1-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 3.95Å; I72-F74 HydrophobicContact CG2-CE1 4.16Å; I72-F74 HydrophobicContact CG2-CE2 3.72Å; I72-F74 HydrophobicContact CG2-CG 4.24Å; I72-F74 HydrophobicContact CG2-CZ 3.83Å; I72-F74 VanDerWaalsContact O-CD2 3.32Å; I72-F74 WeakPolarHBondContact O-CD2 3.45Å; I72-F74 PolarHBondContact O-N 3.48Å
73D98.3Very high98.1Very high80 Ų8072.4 Ų72.443%0.42835%0.351SS..  trans-82.393.8167.7-170.6-19.8000110.2K75 M76 A77 T94D73-K75 VanDerWaalsContact C-N 3.26Å; D73-K75 PolarHBondContact O-N 3.35Å; D73-K75 WeakPolarHBondContact OD1-CB 3.43Å; D73-K75 PolarHBondContact OD1-N 2.91Å; D73-M76 HydrophobicContact CB-CB 4.04Å; D73-M76 PolarHBondContact OD1-N 3.45Å; D73-A77 WeakPolarHBondContact O-CB 3.35Å; D73-A77 PolarHBondContact O-N 3.24Å; D73-T94 HydrophobicContact CB-CG2 4.26Å
74F97.6Very high98Very high72 Ų7270 Ų7032%0.31634%0.341SS..Hα-helixtrans-66-28.5178.2-70.7-90.1000113.2D32 R33 F36 I72 A78D32-F74 HydrophobicContact CB-CE1 4.07Å; R33-F74 HydrophobicContact CB-CZ 4.21Å; F36-F74 HydrophobicContact CD2-CD1 4.4Å; F36-F74 AromaticContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CE2-CE1 4.29Å; I72-F74 HydrophobicContact CB-CD2 4.31Å; I72-F74 HydrophobicContact CB-CE2 3.83Å; I72-F74 HydrophobicContact CB-CZ 4.21Å; I72-F74 HydrophobicContact CD1-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 3.95Å; I72-F74 HydrophobicContact CG2-CE1 4.16Å; I72-F74 HydrophobicContact CG2-CE2 3.72Å; I72-F74 HydrophobicContact CG2-CG 4.24Å; I72-F74 HydrophobicContact CG2-CZ 3.83Å; I72-F74 VanDerWaalsContact O-CD2 3.32Å; I72-F74 WeakPolarHBondContact O-CD2 3.45Å; I72-F74 PolarHBondContact O-N 3.48Å; F74-A78 WeakPolarHBondContact O-CB 3.34Å; F74-A78 PolarHBondContact O-N 2.9Å
75K98.3Very high97.9Very high148 Ų14879.2 Ų79.264%0.64338%0.375SS*.Hα-helixtrans-70.5-49.7-179.4-176.9-173.6171.6-168.20109.4D73 A77 A78 E79D73-K75 VanDerWaalsContact C-N 3.26Å; D73-K75 PolarHBondContact O-N 3.35Å; D73-K75 WeakPolarHBondContact OD1-CB 3.43Å; D73-K75 PolarHBondContact OD1-N 2.91Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.18Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-E79 WeakPolarHBondContact CE-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 2.94Å
76M98.1Very high97.7Very high32 Ų3282.6 Ų82.616%0.15839%0.39CS..Hα-helixtrans-59-44.8174.4-177-175.6-177.400111.2D73 A78 E79 E80 T94 H97D73-M76 HydrophobicContact CB-CB 4.04Å; D73-M76 PolarHBondContact OD1-N 3.45Å; M76-A78 VanDerWaalsContact C-N 3.31Å; M76-A78 PolarHBondContact O-N 3.26Å; M76-E79 PolarHBondContact O-N 3.33Å; M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.22Å; M76-E80 WeakPolarHBondContact O-CB 3.28Å; M76-E80 WeakPolarHBondContact O-CG 3.44Å; M76-E80 PolarHBondContact O-N 2.97Å; M76-T94 HydrophobicContact CB-CG2 4.27Å; M76-T94 HydrophobicContact CG-CG2 4.31Å; M76-T94 HydrophobicContact SD-CG2 4.05Å; M76-H97 HydrophobicContact CE-CB 3.73Å; M76-H97 HydrophobicContact SD-CB 4.04Å
77A98.2Very high97.5Very high2 Ų278.5 Ų78.52%0.01737%0.374CS..Hα-helixtrans-59.2-40.9178.600000112.5D73 K75 E80 E81 T94D73-A77 WeakPolarHBondContact O-CB 3.35Å; D73-A77 PolarHBondContact O-N 3.24Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.18Å; A77-E80 PolarHBondContact O-N 2.73Å; A77-E81 WeakPolarHBondContact O-CB 3.4Å; A77-E81 PolarHBondContact O-N 2.86Å; A77-T94 WeakPolarHBondContact CA-OG1 3.09Å; A77-T94 HydrophobicContact CB-CG2 4.35Å
78A96.8Very high97.5Very high58 Ų5874.9 Ų74.948%0.47935%0.348SS..Hα-helixtrans-67.9-38.7176.800000112.8F74 K75 M76 E81 K82F74-A78 WeakPolarHBondContact O-CB 3.34Å; F74-A78 PolarHBondContact O-N 2.9Å; K75-A78 PolarHBondContact O-N 3.31Å; M76-A78 VanDerWaalsContact C-N 3.31Å; M76-A78 PolarHBondContact O-N 3.26Å; A78-E81 PolarHBondContact O-N 3.19Å; A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 PolarHBondContact O-N 3.34Å
79E98.1Very high97.5Very high115 Ų11576.7 Ų76.754%0.53736%0.357SS..Hα-helixtrans-64.1-43.1174.4-71.2171.5-174.500111.2K75 M76 K82 R83K75-E79 WeakPolarHBondContact CE-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 2.94Å; M76-E79 PolarHBondContact O-N 3.33Å; E79-K82 PolarHBondContact O-N 3.2Å; E79-R83 PolarHBondContact O-N 3.33Å; E79-R83 VanDerWaalsContact O-N 3.09Å
80E97.9Very high97.4Very high32 Ų3275.6 Ų75.615%0.1535%0.351CS..Hα-helixtrans-66.9-40176.2-71.7-68.5-172.500112.3M76 A77 K82 R83 L84 A90M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.22Å; M76-E80 WeakPolarHBondContact O-CB 3.28Å; M76-E80 WeakPolarHBondContact O-CG 3.44Å; M76-E80 PolarHBondContact O-N 2.97Å; A77-E80 PolarHBondContact O-N 2.73Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 2.9Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R83 IonicContact OE1-NH2 3.88Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.97Å; E80-R83 PolarHBondContact OE2-NE 3.24Å; E80-R83 IonicContact OE2-NH2 3.38Å; E80-R83 PolarHBondContact OE2-NH2 2.95Å; E80-L84 VanDerWaalsContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CB 3.48Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 2.7Å; E80-A90 HydrophobicContact CB-CB 3.72Å
81E97.4Very high97.5Very high84 Ų8471.9 Ų71.939%0.39333%0.333SS..Hα-helixtrans-63.9-40.9175.7-175.3177175.300111A77 A78 R83 R85 D87 A90A77-E81 WeakPolarHBondContact O-CB 3.4Å; A77-E81 PolarHBondContact O-N 2.86Å; A78-E81 PolarHBondContact O-N 3.19Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.24Å; E81-R85 VanDerWaalsContact O-CA 3.23Å; E81-R85 WeakPolarHBondContact O-CA 3.4Å; E81-R85 PolarHBondContact O-N 3.35Å; E81-D87 HydrophobicContact CG-CB 4.38Å; E81-A90 HydrophobicContact CB-CB 3.81Å; E81-A90 VanDerWaalsContact N-CB 3.3Å
82K97.1Very high97.5Very high179 Ų17968.2 Ų68.278%0.77831%0.314SS*.Hα-helixtrans-60.6-37.9174.3-174.5-179.9179.5-177.80112A78 E79 E80A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 3.2Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 2.9Å
83R97.3Very high97.5Very high149 Ų14971.6 Ų71.656%0.56233%0.33SS*.Hα-helixtrans-73.8-48179.4-174.1-178.468.284.8-4.6112.4E79 E80 E81E79-R83 PolarHBondContact O-N 3.33Å; E79-R83 VanDerWaalsContact O-N 3.09Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R83 IonicContact OE1-NH2 3.88Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.97Å; E80-R83 PolarHBondContact OE2-NE 3.24Å; E80-R83 IonicContact OE2-NH2 3.38Å; E80-R83 PolarHBondContact OE2-NH2 2.95Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.24Å
84L96.2Very high97.5Very high55 Ų5567.9 Ų67.929%0.28831%0.31SS..Hα-helixtrans-88.7-18.9-171.5-65.5172.2000113.5E80 H86 M89 H93E80-L84 VanDerWaalsContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CB 3.48Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 2.7Å; L84-H86 PolarHBondContact O-N 2.67Å; L84-M89 HydrophobicContact CD1-CB 4.19Å; L84-H93 VanDerWaalsContact CD1-CD2 3.47Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å
85R95.6Very high97.6Very high228 Ų22864.5 Ų64.586%0.8630%0.295SS*.SBendtrans53.932.1-172-55.8-175.9176.1-172-1112.7E81E81-R85 VanDerWaalsContact O-CA 3.23Å; E81-R85 WeakPolarHBondContact O-CA 3.4Å; E81-R85 PolarHBondContact O-N 3.35Å
86H95.6Very high97.6Very high70 Ų7057.9 Ų57.932%0.32427%0.269SS..  trans-149.1110.6-177.6-167-39.9000110.5L84 V88 M89 A90 S112L84-H86 PolarHBondContact O-N 2.67Å; H86-V88 PolarHBondContact ND1-N 2.95Å; H86-M89 HydrophobicContact CB-CB 4.22Å; H86-M89 HydrophobicContact CB-CG 4.47Å; H86-M89 PolarHBondContact ND1-N 2.84Å; H86-M89 PolarHBondContact O-N 2.64Å; H86-A90 WeakPolarHBondContact O-CB 3.26Å; H86-A90 PolarHBondContact O-N 2.79Å; H86-S112 PolarHBondContact CE1-OG 3.42Å; H86-S112 PolarHBondContact NE2-OG 3.06Å; H86-S112 VanDerWaalsContact NE2-OG 3.16Å
87D95.1Very high97.6Very high27 Ų2762.9 Ų62.914%0.14429%0.292CS..Hα-helixtrans-62.8-45.4-174.264.5-14000113.2K35 E81 A90 H91 R338K35-D87 IonicContact NZ-OD2 2.85Å; E81-D87 HydrophobicContact CG-CB 4.38Å; D87-A90 WeakPolarHBondContact O-CB 3.33Å; D87-A90 PolarHBondContact O-N 2.89Å; D87-H91 PolarHBondContact O-CD2 2.89Å; D87-H91 PolarHBondContact O-N 3.32Å; D87-H91 VanDerWaalsContact O-N 3.1Å; D87-R338 IonicContact OD2-CZ 3.55Å; D87-R338 IonicContact OD2-NH1 3.86Å; D87-R338 IonicContact OD2-NH2 3.18Å; D87-R338 PolarHBondContact OD2-NH2 3.3Å
88V97.9Very high97.6Very high3 Ų364.2 Ų64.22%0.01830%0.301CS..Hα-helixtrans-60.6-50.6177.1-179.10000111.9W39 W43 H86 A90 H91 V92 V115W39-V88 HydrophobicContact CH2-CB 4.42Å; W39-V88 HydrophobicContact CH2-CG2 3.51Å; W39-V88 HydrophobicContact CZ2-CG2 4.18Å; W39-V88 HydrophobicContact CZ3-CB 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.75Å; W43-V88 HydrophobicContact CZ2-CG1 3.94Å; H86-V88 PolarHBondContact ND1-N 2.95Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.09Å; V88-H91 CarbonylContact O-C 3.55Å; V88-H91 PolarHBondContact O-N 3.05Å; V88-H91 VanDerWaalsContact O-N 3.09Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.36Å; V88-V92 PolarHBondContact O-N 3.38Å; V88-V115 HydrophobicContact CG1-CG2 3.75Å; V88-V115 HydrophobicContact CG2-CG2 3.96Å
89M97.7Very high97.7Very high65 Ų6561.5 Ų61.532%0.3228%0.278SS..Hα-helixtrans-64.1-36.2-179-68.2-52.7-57.600112.2L84 H86 H91 V92 H93L84-M89 HydrophobicContact CD1-CB 4.19Å; H86-M89 HydrophobicContact CB-CB 4.22Å; H86-M89 HydrophobicContact CB-CG 4.47Å; H86-M89 PolarHBondContact ND1-N 2.84Å; H86-M89 PolarHBondContact O-N 2.64Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.01Å; M89-V92 HydrophobicContact CE-CB 4.45Å; M89-V92 HydrophobicContact CE-CG1 4.39Å; M89-V92 PolarHBondContact O-N 3.06Å; M89-V92 HydrophobicContact SD-CG2 4.44Å; M89-H93 PolarHBondContact O-CD2 2.93Å; M89-H93 PolarHBondContact O-N 3.19Å
90A98.3Very high97.7Very high0 Ų060.3 Ų60.30%028%0.281CS..Hα-helixtrans-55.6-48.3171.300000111.6E80 E81 H86 D87 V88 V92 H93 T94E80-A90 HydrophobicContact CB-CB 3.72Å; E81-A90 HydrophobicContact CB-CB 3.81Å; E81-A90 VanDerWaalsContact N-CB 3.3Å; H86-A90 WeakPolarHBondContact O-CB 3.26Å; H86-A90 PolarHBondContact O-N 2.79Å; D87-A90 WeakPolarHBondContact O-CB 3.33Å; D87-A90 PolarHBondContact O-N 2.89Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.09Å; A90-V92 PolarHBondContact O-N 2.87Å; A90-H93 PolarHBondContact O-N 2.82Å; A90-T94 PolarHBondContact O-N 2.83Å; A90-T94 PolarHBondContact O-OG1 3.21Å
91H98.7Very high97.7Very high4 Ų464.2 Ų64.22%0.01930%0.297CS..Hα-helixtrans-69.7-29.8177.3-83.8-91000114.3F36 W39 W43 D87 V88 M89 F95F36-H91 AromaticContact CD1-CD2 3.77Å; F36-H91 AromaticContact CD1-CE1 3.3Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.21Å; F36-H91 AromaticContact CD1-CG 3.85Å; F36-H91 AromaticContact CD1-ND1 3.57Å; F36-H91 AromaticContact CD1-NE2 3.42Å; F36-H91 WeakPolarHBondContact CD1-NE2 2.88Å; F36-H91 AromaticContact CD2-CE1 3.57Å; F36-H91 AromaticContact CD2-NE2 3.87Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.59Å; F36-H91 AromaticContact CE1-NE2 3.17Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.23Å; F36-H91 AromaticContact CE2-CE1 3.85Å; F36-H91 AromaticContact CE2-NE2 3.66Å; F36-H91 AromaticContact CG-CE1 3.28Å; F36-H91 WeakPolarHBondContact CG-CE1 3.48Å; F36-H91 AromaticContact CG-ND1 3.78Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.85Å; F36-H91 AromaticContact CZ-NE2 3.29Å; F36-H91 VanDerWaalsContact CZ-NE2 3.29Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.31Å; W39-H91 HydrophobicContact CE3-CB 3.99Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W43-H91 HydrophobicContact CH2-CB 3.95Å; W43-H91 HydrophobicContact CZ3-CB 4.38Å; D87-H91 PolarHBondContact O-CD2 2.89Å; D87-H91 PolarHBondContact O-N 3.32Å; D87-H91 VanDerWaalsContact O-N 3.1Å; V88-H91 CarbonylContact O-C 3.55Å; V88-H91 PolarHBondContact O-N 3.05Å; V88-H91 VanDerWaalsContact O-N 3.09Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.01Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.41Å; H91-F95 PolarHBondContact O-N 3.09Å
92V98.6Very high97.8Very high16 Ų1660.2 Ų60.210%0.09728%0.278CS..Hα-helixtrans-61.9-48.7170.6170.50000109.8W43 V88 M89 A90 F95 G96 I106 H107W43-V92 HydrophobicContact CH2-CG2 3.85Å; W43-V92 HydrophobicContact CZ2-CG2 3.41Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.41Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.36Å; V88-V92 PolarHBondContact O-N 3.38Å; M89-V92 HydrophobicContact CE-CB 4.45Å; M89-V92 HydrophobicContact CE-CG1 4.39Å; M89-V92 PolarHBondContact O-N 3.06Å; M89-V92 HydrophobicContact SD-CG2 4.44Å; A90-V92 PolarHBondContact O-N 2.87Å; V92-F95 PolarHBondContact O-N 2.77Å; V92-G96 PolarHBondContact O-N 3Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.39Å; V92-H107 HydrophobicContact CG2-CB 3.93Å
93H98.3Very high97.8Very high84 Ų8453.7 Ų53.739%0.38926%0.258SS..Hα-helixtrans-63.6-45.8177.2-77.7-72.4000112.4L84 M89 A90 F95 G96 H97L84-H93 VanDerWaalsContact CD1-CD2 3.47Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å; M89-H93 PolarHBondContact O-CD2 2.93Å; M89-H93 PolarHBondContact O-N 3.19Å; A90-H93 PolarHBondContact O-N 2.82Å; H93-F95 VanDerWaalsContact C-N 3.29Å; H93-F95 PolarHBondContact O-N 3.21Å; H93-G96 PolarHBondContact O-N 2.72Å; H93-H97 PolarHBondContact O-N 2.93Å
94T98.6Very high97.9Very high3 Ų350 Ų502%0.01827%0.265CS..Hα-helixtrans-61.6-37.4176.6-54.90000112D73 M76 A77 A90D73-T94 HydrophobicContact CB-CG2 4.26Å; M76-T94 HydrophobicContact CB-CG2 4.27Å; M76-T94 HydrophobicContact CG-CG2 4.31Å; M76-T94 HydrophobicContact SD-CG2 4.05Å; A77-T94 WeakPolarHBondContact CA-OG1 3.09Å; A77-T94 HydrophobicContact CB-CG2 4.35Å; A90-T94 PolarHBondContact O-N 2.83Å; A90-T94 PolarHBondContact O-OG1 3.21Å
95F98.8Very high98Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-73.2-41.5177.3-166-150.1000111.7R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106R40-F95 HydrophobicContact CB-CD1 4.47Å; R40-F95 HydrophobicContact CB-CE1 4Å; R40-F95 HydrophobicContact CB-CE2 4.39Å; R40-F95 HydrophobicContact CB-CZ 3.95Å; R40-F95 HydrophobicContact CG-CD1 3.9Å; R40-F95 HydrophobicContact CG-CD2 4.01Å; R40-F95 HydrophobicContact CG-CE1 3.9Å; R40-F95 HydrophobicContact CG-CE2 4.01Å; R40-F95 HydrophobicContact CG-CG 3.96Å; R40-F95 HydrophobicContact CG-CZ 3.95Å; W43-F95 AromaticContact CE3-CD1 3.78Å; W43-F95 HydrophobicContact CE3-CD1 3.78Å; W43-F95 HydrophobicContact CE3-CE1 4.31Å; W43-F95 HydrophobicContact CZ3-CD1 4.35Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.84Å; M65-F95 HydrophobicContact CE-CE1 3.95Å; M65-F95 HydrophobicContact CG-CE1 4.16Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; N68-F95 HydrophobicContact CB-CE2 3.91Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.41Å; H91-F95 PolarHBondContact O-N 3.09Å; V92-F95 PolarHBondContact O-N 2.77Å; H93-F95 VanDerWaalsContact C-N 3.29Å; H93-F95 PolarHBondContact O-N 3.21Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 3.3Å; F95-C98 PolarHBondContact O-N 3.16Å; F95-C98 PolarHBondContact O-SG 2.77Å; F95-C99 WeakPolarHBondContact CE2-SG 3.27Å; F95-C99 WeakPolarHBondContact O-CB 3.21Å; F95-C99 PolarHBondContact O-N 2.98Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.6Å; F95-I106 HydrophobicContact CD1-CG1 4.16Å; F95-I106 HydrophobicContact CD1-CG2 4.19Å; F95-I106 HydrophobicContact CE1-CD1 4.19Å; F95-I106 HydrophobicContact CG-CD1 3.98Å
96G98.6Very high98.1Very high10 Ų1037.9 Ų37.910%0.10322%0.218CC..Hα-helixtrans-61.1-31.7172.800000113.5V92 H93 C99 P100V92-G96 PolarHBondContact O-N 3Å; H93-G96 PolarHBondContact O-N 2.72Å; G96-C99 CarbonylContact O-C 3.5Å; G96-C99 PolarHBondContact O-N 3.35Å; G96-C99 VanDerWaalsContact O-O 3.14Å; G96-P100 WeakPolarHBondContact O-CA 3.31Å
97H98.6Very high98.2Very high136 Ų13635.7 Ų35.763%0.6321%0.208SC*.Hα-helixtrans-64.4-41.6175.8-179.2-90.4000112.8M76 H93 F95M76-H97 HydrophobicContact CE-CB 3.73Å; M76-H97 HydrophobicContact SD-CB 4.04Å; H93-H97 PolarHBondContact O-N 2.93Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 3.3Å
98C98.2Very high98.4Very high31 Ų3136.9 Ų36.921%0.20921%0.214CC..Hα-helixtrans-85.8-8.4175.260.70000113.7F95F95-C98 PolarHBondContact O-N 3.16Å; F95-C98 PolarHBondContact O-SG 2.77Å
99C98.5Very high98.3Very high0 Ų037.5 Ų37.50%022%0.221CC..  trans-129.367176.1-53.20000110.6E64 F95 G96 K101 A102 A103 I106E64-C99 VanDerWaalsContact CD-CA 3.43Å; E64-C99 HydrophobicContact CG-CB 3.89Å; E64-C99 WeakPolarHBondContact OE2-CA 3.42Å; E64-C99 WeakPolarHBondContact OE2-CB 3.27Å; F95-C99 WeakPolarHBondContact CE2-SG 3.27Å; F95-C99 WeakPolarHBondContact O-CB 3.21Å; F95-C99 PolarHBondContact O-N 2.98Å; G96-C99 CarbonylContact O-C 3.5Å; G96-C99 PolarHBondContact O-N 3.35Å; G96-C99 VanDerWaalsContact O-O 3.14Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.49Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.42Å; C99-A102 PolarHBondContact O-N 3.15Å; C99-A102 VanDerWaalsContact O-N 3.13Å; C99-A103 PolarHBondContact O-N 3.12Å; C99-I106 HydrophobicContact CB-CD1 4.44Å
100P98.4Very high98.3Very high91 Ų9135.3 Ų35.359%0.59121%0.213SC*.THydrogen-bonded Turntrans-63-29.7-172.225.2-35.5000113.5E64 G96E64-P100 WeakPolarHBondContact OE1-CD 3.42Å; G96-P100 WeakPolarHBondContact O-CA 3.31Å
101K98.4Very high98.2Very high114 Ų11436.1 Ų36.150%0.49622%0.218SC..THydrogen-bonded Turntrans-72.2-39.2176.1-59.7178.8173.6-170.90110.8E60 Q61 E64 C99E60-K101 IonicContact OE2-NZ 2.71Å; E60-K101 PolarHBondContact OE2-NZ 3.27Å; Q61-K101 HydrophobicContact CG-CB 4.26Å; Q61-K101 WeakPolarHBondContact CG-O 3.48Å; Q61-K101 PolarHBondContact NE2-O 3.24Å; E64-K101 WeakPolarHBondContact OE2-CA 3.45Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.47Å; E64-K101 PolarHBondContact OE2-N 2.64Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.49Å
102A98.6Very high98.2Very high0 Ų037.3 Ų37.30%023%0.227CC..THydrogen-bonded Turntrans-84.1-12-179.700000114.1Q61 E64 M65 C99 G104 I105 I106Q61-A102 HydrophobicContact CB-CB 3.96Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; E64-A102 PolarHBondContact OE2-N 2.9Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.86Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.42Å; C99-A102 PolarHBondContact O-N 3.15Å; C99-A102 VanDerWaalsContact O-N 3.13Å; A102-G104 PolarHBondContact O-N 3.15Å; A102-I105 HydrophobicContact CB-CD1 4.05Å; A102-I105 HydrophobicContact CB-CG1 4.48Å; A102-I105 WeakPolarHBondContact O-CD1 3.23Å; A102-I105 WeakPolarHBondContact O-CG1 3.31Å; A102-I105 PolarHBondContact O-N 3.42Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.43Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 2.86Å; A102-I106 VanDerWaalsContact O-N 3.16Å
103A98.3Very high98.2Very high42 Ų4236.7 Ų36.735%0.34722%0.224SC..THydrogen-bonded Turntrans-50.2-39.5-171.900000114.3C99 I105C99-A103 PolarHBondContact O-N 3.12Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.04Å
104G98Very high98.2Very high70 Ų7032.8 Ų32.872%0.72221%0.205SC*.THydrogen-bonded Turntrans-75-16-179.300000115.5A102A102-G104 PolarHBondContact O-N 3.15Å
105I98.6Very high98.2Very high19 Ų1932.6 Ų32.610%0.09720%0.204CC..THydrogen-bonded Turntrans-110.3-8.5-178.56270.1000113.1A47 I57 Q61 M65 A102 A103 H107 L108A47-I105 HydrophobicContact CB-CD1 4.15Å; I57-I105 HydrophobicContact CG1-CB 4.39Å; I57-I105 HydrophobicContact CG1-CG2 4.31Å; I57-I105 HydrophobicContact CG2-CG1 4.5Å; Q61-I105 HydrophobicContact CB-CG1 4.44Å; M65-I105 HydrophobicContact SD-CD1 3.64Å; A102-I105 HydrophobicContact CB-CD1 4.05Å; A102-I105 HydrophobicContact CB-CG1 4.48Å; A102-I105 WeakPolarHBondContact O-CD1 3.23Å; A102-I105 WeakPolarHBondContact O-CG1 3.31Å; A102-I105 PolarHBondContact O-N 3.42Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.04Å; I105-H107 PolarHBondContact O-N 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.14Å; I105-L108 PolarHBondContact O-N 3.09Å
106I98.6Very high98.2Very high10 Ų1033.3 Ų33.35%0.05121%0.212CC..THydrogen-bonded Turntrans-64.3128.1175-68.7165.3000108.6W43 M65 V92 F95 C99 A102 L108W43-I106 HydrophobicContact CD2-CG2 3.98Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; M65-I106 HydrophobicContact CE-CG1 4.07Å; M65-I106 HydrophobicContact SD-CG1 4.28Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.39Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.6Å; F95-I106 HydrophobicContact CD1-CG1 4.16Å; F95-I106 HydrophobicContact CD1-CG2 4.19Å; F95-I106 HydrophobicContact CE1-CD1 4.19Å; F95-I106 HydrophobicContact CG-CD1 3.98Å; C99-I106 HydrophobicContact CB-CD1 4.44Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.43Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 2.86Å; A102-I106 VanDerWaalsContact O-N 3.16Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.1Å
107H98.6Very high98.2Very high24 Ų2433 Ų3311%0.11121%0.208CC..THydrogen-bonded Turntrans68.917.3179-154.951.2000115.2W43 V92 I105 G109 A110 T111W43-H107 AromaticContact CD1-ND1 3.85Å; W43-H107 AromaticContact NE1-CE1 3.98Å; W43-H107 AromaticContact NE1-CG 3.49Å; W43-H107 AromaticContact NE1-ND1 3Å; W43-H107 PolarHBondContact NE1-ND1 3.22Å; V92-H107 HydrophobicContact CG2-CB 3.93Å; I105-H107 PolarHBondContact O-N 3.49Å; H107-G109 PolarHBondContact O-N 2.97Å; H107-A110 WeakPolarHBondContact ND1-CB 3.21Å; H107-A110 PolarHBondContact O-N 3.3Å; H107-A110 VanDerWaalsContact O-N 3.15Å; H107-T111 PolarHBondContact CE1-O 3.38Å
108L98.1Very high98.2Very high52 Ų5226.6 Ų26.627%0.27218%0.178SC..THydrogen-bonded Turntrans-53.8129.9178-172.462000111.3L55 I105 I106 A110 L211L55-L108 HydrophobicContact CD1-CD2 4.38Å; I105-L108 WeakPolarHBondContact O-CB 3.14Å; I105-L108 PolarHBondContact O-N 3.09Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 3.43Å; L108-L211 HydrophobicContact CD1-CD1 4.4Å; L108-L211 HydrophobicContact CD1-CD2 4.09Å; L108-L211 HydrophobicContact CD2-CD2 3.75Å; L108-L211 HydrophobicContact CG-CD1 4.17Å; L108-L211 HydrophobicContact CG-CD2 3.71Å
109G96.3Very high98.3Very high16 Ų1625.1 Ų25.117%0.16517%0.168CC..THydrogen-bonded Turntrans67.4-12-179.700000116.9H107 S207 F208H107-G109 PolarHBondContact O-N 2.97Å; G109-S207 VanDerWaalsContact O-CB 3.28Å; G109-S207 WeakPolarHBondContact O-CB 3.35Å; G109-S207 PolarHBondContact O-OG 2.9Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 WeakPolarHBondContact O-CE2 3.12Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å
110A97.9Very high98.3Very high20 Ų2026.7 Ų26.717%0.16518%0.177CC..  trans-86.3171.6-17300000112.9L46 H107 L108 Y114 F208L46-A110 HydrophobicContact CD2-CB 3.94Å; H107-A110 WeakPolarHBondContact ND1-CB 3.21Å; H107-A110 PolarHBondContact O-N 3.3Å; H107-A110 VanDerWaalsContact O-N 3.15Å; L108-A110 PolarHBondContact O-N 3.43Å; A110-Y114 HydrophobicContact CB-CD1 4.14Å; A110-Y114 HydrophobicContact CB-CG 4.12Å; A110-F208 HydrophobicContact CB-CZ 3.96Å
111T96.9Very high98.3Very high16 Ų1622.4 Ų22.410%0.09815%0.148CC..  trans-125.6163.3172.2-179.10000109H107 C113 Y114 G200H107-T111 PolarHBondContact CE1-O 3.38Å; T111-C113 HydrophobicContact CG2-CB 4.32Å; T111-C113 PolarHBondContact O-N 3.15Å; T111-Y114 WeakPolarHBondContact O-CB 3.39Å; T111-Y114 PolarHBondContact O-N 2.97Å; T111-G200 VanDerWaalsContact CG2-O 3.23Å; T111-G200 WeakPolarHBondContact CG2-O 3.49Å
112S97.2Very high98.3Very high29 Ų2917.3 Ų17.320%0.20313%0.127CC..Hα-helixtrans-45.9-37.4179.8-550000114.2H86 Y114 V115 G116H86-S112 PolarHBondContact CE1-OG 3.42Å; H86-S112 PolarHBondContact NE2-OG 3.06Å; H86-S112 VanDerWaalsContact NE2-OG 3.16Å; S112-Y114 VanDerWaalsContact C-N 3.26Å; S112-Y114 PolarHBondContact O-N 2.77Å; S112-V115 WeakPolarHBondContact O-CG2 3.37Å; S112-V115 PolarHBondContact O-N 2.98Å; S112-G116 PolarHBondContact O-N 2.82Å
113C98.4Very high98.3Very high4 Ų417.9 Ų17.93%0.02713%0.129CC..Hα-helixtrans-71.5-15.5178.6-63.80000114.4T111 V115 D117 Q241 R329T111-C113 HydrophobicContact CG2-CB 4.32Å; T111-C113 PolarHBondContact O-N 3.15Å; C113-V115 VanDerWaalsContact C-N 3.32Å; C113-D117 HydrophobicContact CB-CB 4.35Å; C113-D117 WeakPolarHBondContact O-CB 3.42Å; C113-D117 PolarHBondContact O-N 2.89Å; C113-D117 VanDerWaalsContact O-N 3.14Å; C113-Q241 HydrophobicContact CB-CG 4.36Å; C113-Q241 WeakPolarHBondContact CB-O 3.21Å; C113-R329 PolarHBondContact SG-NH1 3.27Å
114Y98.9Very high98.3Very high1 Ų115.9 Ų15.90%0.00411%0.113CC..Hα-helixtrans-59.9-44.3170.4174.8-108000111L42 L46 A110 T111 S112 N118 V198L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.26Å; L42-Y114 PolarHBondContact O-OH 2.66Å; L46-Y114 HydrophobicContact CB-CE1 3.88Å; L46-Y114 HydrophobicContact CD1-CE1 4.49Å; L46-Y114 HydrophobicContact CD1-CE2 4.45Å; L46-Y114 HydrophobicContact CD2-CD1 4.19Å; L46-Y114 HydrophobicContact CD2-CE1 3.86Å; L46-Y114 HydrophobicContact CG-CE1 4.31Å; A110-Y114 HydrophobicContact CB-CD1 4.14Å; A110-Y114 HydrophobicContact CB-CG 4.12Å; T111-Y114 WeakPolarHBondContact O-CB 3.39Å; T111-Y114 PolarHBondContact O-N 2.97Å; S112-Y114 VanDerWaalsContact C-N 3.26Å; S112-Y114 PolarHBondContact O-N 2.77Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 2.94Å; Y114-N118 PolarHBondContact O-ND2 2.95Å; Y114-V198 HydrophobicContact CD2-CG1 3.72Å; Y114-V198 HydrophobicContact CE2-CG1 3.63Å
115V98.7Very high98.4Very high0 Ų014.4 Ų14.40%09%0.086CC..Hα-helixtrans-90-40.3177.1-65.70000112.5W39 L42 W43 V88 S112 C113 T119W39-V115 HydrophobicContact CB-CB 4.05Å; W39-V115 HydrophobicContact CB-CG1 4.3Å; W39-V115 HydrophobicContact CD2-CB 3.96Å; W39-V115 HydrophobicContact CD2-CG2 3.72Å; W39-V115 HydrophobicContact CE3-CG2 4.01Å; W39-V115 HydrophobicContact CG-CB 3.71Å; W39-V115 HydrophobicContact CG-CG1 4.48Å; W39-V115 HydrophobicContact CG-CG2 4.03Å; W39-V115 HydrophobicContact CZ2-CG2 4.37Å; W39-V115 PolarHBondContact NE1-O 2.96Å; L42-V115 HydrophobicContact CB-CG1 4.16Å; L42-V115 HydrophobicContact CD1-CB 4.5Å; W43-V115 HydrophobicContact CD2-CG1 3.97Å; W43-V115 VanDerWaalsContact CE2-CG1 3.49Å; W43-V115 HydrophobicContact CG-CG1 4.21Å; W43-V115 HydrophobicContact CZ2-CB 4.47Å; W43-V115 HydrophobicContact CZ2-CG1 3.85Å; W43-V115 HydrophobicContact CZ2-CG2 3.98Å; V88-V115 HydrophobicContact CG1-CG2 3.75Å; V88-V115 HydrophobicContact CG2-CG2 3.96Å; S112-V115 WeakPolarHBondContact O-CG2 3.37Å; S112-V115 PolarHBondContact O-N 2.98Å; C113-V115 VanDerWaalsContact C-N 3.32Å; V115-T119 WeakPolarHBondContact O-CB 3.47Å; V115-T119 PolarHBondContact O-N 2.87Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 2.53Å
116G98.4Very high98.4Very high15 Ų1515.2 Ų15.216%0.1559%0.09CC..Hα-helixtrans-62-62.7-178.600000112.9S112 T119 D120S112-G116 PolarHBondContact O-N 2.82Å; G116-T119 PolarHBondContact O-N 3.14Å; G116-D120 PolarHBondContact O-N 3.48Å
117D98.8Very high98.4Very high4 Ų414.7 Ų14.72%0.0219%0.088CC..Hα-helixtrans-72.6-37.6-171.6-94.942.4000112.7C113 T119 D120 L121 T242 Y243 R245 R329C113-D117 HydrophobicContact CB-CB 4.35Å; C113-D117 WeakPolarHBondContact O-CB 3.42Å; C113-D117 PolarHBondContact O-N 2.89Å; C113-D117 VanDerWaalsContact O-N 3.14Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.5Å; D117-D120 PolarHBondContact O-N 2.71Å; D117-L121 WeakPolarHBondContact O-CG 3.35Å; D117-L121 PolarHBondContact O-N 2.75Å; D117-T242 WeakPolarHBondContact OD2-CA 3.37Å; D117-T242 WeakPolarHBondContact OD2-CB 3.29Å; D117-T242 WeakPolarHBondContact OD2-CG2 3.4Å; D117-Y243 HydrophobicContact CB-CD1 3.81Å; D117-Y243 HydrophobicContact CB-CE1 4.14Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.33Å; D117-Y243 PolarHBondContact OD2-N 3.44Å; D117-R245 IonicContact OD1-CZ 3.69Å; D117-R245 IonicContact OD1-NH1 3.12Å; D117-R245 PolarHBondContact OD1-NH1 3.14Å; D117-R245 IonicContact OD1-NH2 2.66Å; D117-R245 PolarHBondContact OD1-NH2 3.34Å; D117-R245 IonicContact OD2-CZ 2.89Å; D117-R245 IonicContact OD2-NH1 3.98Å; D117-R245 PolarHBondContact OD2-NH1 3.35Å; D117-R245 IonicContact OD2-NH2 3.83Å; D117-R245 PolarHBondContact OD2-NH2 3.17Å; D117-R329 IonicContact OD1-NH1 2.78Å
118N98.9Very high98.4Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-66.6-35.5175.1-74.5-46.9000111.9L42 Y114 L121 I122 F195 R196 G197L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 3.98Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 2.94Å; Y114-N118 PolarHBondContact O-ND2 2.95Å; N118-L121 PolarHBondContact O-N 2.88Å; N118-I122 VanDerWaalsContact O-CG1 3.31Å; N118-I122 WeakPolarHBondContact O-CG1 3.34Å; N118-I122 PolarHBondContact O-N 3.03Å; N118-F195 HydrophobicContact CB-CD2 4.43Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.53Å; N118-F195 HydrophobicContact CB-CZ 3.43Å; N118-F195 VanDerWaalsContact CB-CZ 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.44Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.49Å; N118-F195 VanDerWaalsContact OD1-CE1 3.31Å; N118-F195 WeakPolarHBondContact OD1-CE1 2.98Å; N118-F195 VanDerWaalsContact OD1-CE2 3.27Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.23Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.45Å; N118-R196 VanDerWaalsContact OD1-CB 3.3Å; N118-R196 WeakPolarHBondContact OD1-CB 3.41Å; N118-R196 PolarHBondContact OD1-N 3.25Å; N118-G197 PolarHBondContact ND2-O 3.36Å; N118-G197 VanDerWaalsContact ND2-O 3.09Å; N118-G197 PolarHBondContact OD1-N 3.16Å
119T98.9Very high98.4Very high0 Ų013.7 Ų13.70%08%0.083CC..Hα-helixtrans-65.7-43.5173.6-63.90000111.1K35 T38 L42 V115 G116 D117 L121 I122 I123K35-T119 HydrophobicContact CG-CG2 4.15Å; T38-T119 HydrophobicContact CG2-CG2 3.85Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.43Å; V115-T119 WeakPolarHBondContact O-CB 3.47Å; V115-T119 PolarHBondContact O-N 2.87Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 2.53Å; G116-T119 PolarHBondContact O-N 3.14Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.5Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 3.01Å; T119-I122 PolarHBondContact O-N 3.29Å; T119-I122 VanDerWaalsContact O-N 3.16Å; T119-I123 HydrophobicContact CG2-CD1 3.78Å; T119-I123 HydrophobicContact CG2-CG1 4.28Å; T119-I123 WeakPolarHBondContact O-CB 3.47Å; T119-I123 WeakPolarHBondContact O-CG1 3.46Å; T119-I123 PolarHBondContact O-N 2.98Å
120D98.8Very high98.5Very high34 Ų3415.3 Ų15.318%0.1829%0.088CC..Hα-helixtrans-57.5-44175.7-71.3-15.6000110.9G116 D117 I122 I123 L124 Y243 R337G116-D120 PolarHBondContact O-N 3.48Å; D117-D120 PolarHBondContact O-N 2.71Å; D120-I122 PolarHBondContact O-N 3.47Å; D120-I123 WeakPolarHBondContact O-CB 3.32Å; D120-I123 PolarHBondContact O-N 3.32Å; D120-L124 WeakPolarHBondContact O-CB 3.41Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.47Å; D120-L124 PolarHBondContact O-N 2.94Å; D120-Y243 HydrophobicContact CB-CE1 4.4Å; D120-R337 IonicContact OD2-CZ 3.99Å; D120-R337 IonicContact OD2-NH1 3.97Å; D120-R337 PolarHBondContact OD2-NH1 2.84Å; D120-R337 IonicContact OD2-NH2 2.77Å; D120-R337 PolarHBondContact OD2-NH2 2.68Å
121L98.9Very high98.5Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-63.6-39.3176.5-68.7165000112.9D117 N118 T119 L124 R125 L193 R194 R196 F232 Y243D117-L121 WeakPolarHBondContact O-CG 3.35Å; D117-L121 PolarHBondContact O-N 2.75Å; N118-L121 PolarHBondContact O-N 2.88Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 3.01Å; L121-L124 PolarHBondContact O-N 3.49Å; L121-R125 WeakPolarHBondContact O-CB 3.38Å; L121-R125 PolarHBondContact O-N 3.45Å; L121-L193 HydrophobicContact CD2-CD1 4Å; L121-L193 HydrophobicContact CD2-CD2 4.3Å; L121-L193 HydrophobicContact CD2-CG 4.11Å; L121-R194 WeakPolarHBondContact CD1-O 3.47Å; L121-R196 HydrophobicContact CD1-CB 4.1Å; L121-F232 HydrophobicContact CB-CZ 4.15Å; L121-Y243 HydrophobicContact CD1-CD1 3.72Å; L121-Y243 HydrophobicContact CD1-CE1 4.33Å; L121-Y243 HydrophobicContact CD1-CG 4.14Å; L121-Y243 HydrophobicContact CD2-CD1 3.98Å; L121-Y243 HydrophobicContact CD2-CD2 4.32Å; L121-Y243 HydrophobicContact CD2-CE1 4.03Å; L121-Y243 HydrophobicContact CD2-CE2 4.39Å; L121-Y243 HydrophobicContact CD2-CG 4.13Å; L121-Y243 HydrophobicContact CG-CD1 3.75Å; L121-Y243 HydrophobicContact CG-CE1 3.85Å; L121-Y243 HydrophobicContact CG-CG 4.33Å
122I98.9Very high98.5Very high8 Ų815.4 Ų15.44%0.0419%0.085CC..Hα-helixtrans-63.3-45174.1-69.9164.3000110.4T38 L42 W45 N118 T119 D120 R125 N126 F195 F232T38-I122 HydrophobicContact CG2-CD1 3.79Å; T38-I122 HydrophobicContact CG2-CG2 4.39Å; L42-I122 HydrophobicContact CD2-CD1 4.28Å; W45-I122 HydrophobicContact CZ3-CD1 4.24Å; N118-I122 VanDerWaalsContact O-CG1 3.31Å; N118-I122 WeakPolarHBondContact O-CG1 3.34Å; N118-I122 PolarHBondContact O-N 3.03Å; T119-I122 PolarHBondContact O-N 3.29Å; T119-I122 VanDerWaalsContact O-N 3.16Å; D120-I122 PolarHBondContact O-N 3.47Å; I122-R125 PolarHBondContact O-N 3Å; I122-N126 WeakPolarHBondContact O-CB 3.38Å; I122-N126 PolarHBondContact O-N 3.46Å; I122-N126 PolarHBondContact O-ND2 3.29Å; I122-N126 PolarHBondContact O-OD1 3.41Å; I122-F195 HydrophobicContact CD1-CE2 4.26Å; I122-F195 HydrophobicContact CG1-CE2 4.26Å; I122-F232 HydrophobicContact CG1-CE2 3.97Å
123I98.8Very high98.5Very high11 Ų1116.7 Ų16.76%0.0569%0.093CC..Hα-helixtrans-59.6-49.4176.9-74.1173.4000110.3V29 F30 Y34 T119 D120 R125 N126 A127V29-I123 HydrophobicContact CG1-CB 4.43Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; F30-I123 HydrophobicContact CD1-CG2 3.59Å; F30-I123 HydrophobicContact CE1-CG2 3.27Å; F30-I123 HydrophobicContact CE2-CG2 4.36Å; F30-I123 HydrophobicContact CG-CG2 4.29Å; F30-I123 HydrophobicContact CZ-CG2 3.71Å; Y34-I123 HydrophobicContact CD1-CD1 4.32Å; Y34-I123 HydrophobicContact CD1-CG1 3.86Å; Y34-I123 HydrophobicContact CE1-CG1 3.79Å; T119-I123 HydrophobicContact CG2-CD1 3.78Å; T119-I123 HydrophobicContact CG2-CG1 4.28Å; T119-I123 WeakPolarHBondContact O-CB 3.47Å; T119-I123 WeakPolarHBondContact O-CG1 3.46Å; T119-I123 PolarHBondContact O-N 2.98Å; D120-I123 WeakPolarHBondContact O-CB 3.32Å; D120-I123 PolarHBondContact O-N 3.32Å; I123-R125 PolarHBondContact O-N 3.48Å; I123-N126 PolarHBondContact O-N 3.16Å; I123-A127 VanDerWaalsContact O-CB 3.26Å; I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 3.04Å
124L98.8Very high98.5Very high1 Ų118.3 Ų18.31%0.00510%0.099CC..Hα-helixtrans-60.4-46.2179.6-69.6174.4000111.7D120 L121 N126 A127 L128 L193 V251 F345D120-L124 WeakPolarHBondContact O-CB 3.41Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.47Å; D120-L124 PolarHBondContact O-N 2.94Å; L121-L124 PolarHBondContact O-N 3.49Å; L124-N126 PolarHBondContact O-N 3.04Å; L124-A127 PolarHBondContact O-N 3.34Å; L124-L128 WeakPolarHBondContact O-CG 3.38Å; L124-L128 PolarHBondContact O-N 3.03Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; L124-V251 HydrophobicContact CD2-CG1 4.39Å; L124-F345 HydrophobicContact CD2-CD2 4.46Å; L124-F345 HydrophobicContact CD2-CE2 3.55Å; L124-F345 HydrophobicContact CD2-CZ 4.07Å
125R98.8Very high98.5Very high38 Ų3818.2 Ų18.214%0.14310%0.099CC..Hα-helixtrans-58.9-47.8176.3-171.7-174.767.6-164.5-3.8111.4L121 I122 I123 L128 D129 R190 L193 A230 G231 F232L121-R125 WeakPolarHBondContact O-CB 3.38Å; L121-R125 PolarHBondContact O-N 3.45Å; I122-R125 PolarHBondContact O-N 3Å; I123-R125 PolarHBondContact O-N 3.48Å; R125-L128 PolarHBondContact O-N 3.25Å; R125-D129 PolarHBondContact O-N 2.85Å; R125-R190 HydrophobicContact CG-CG 4.44Å; R125-L193 HydrophobicContact CB-CD2 3.99Å; R125-A230 PolarHBondContact NH1-O 3.44Å; R125-A230 PolarHBondContact NH2-O 3.47Å; R125-G231 VanDerWaalsContact NH1-C 3.32Å; R125-G231 PolarHBondContact NH1-O 3.11Å; R125-F232 HydrophobicContact CB-CZ 4.25Å
126N98.7Very high98.4Very high36 Ų3620.2 Ų20.219%0.19312%0.115CC..Hα-helixtrans-69.5-35.9-177.3-67.5-7.4000111.8V29 Y34 I122 I123 L124 D129 L130V29-N126 HydrophobicContact CG1-CB 4.5Å; Y34-N126 PolarHBondContact OH-ND2 3.38Å; I122-N126 WeakPolarHBondContact O-CB 3.38Å; I122-N126 PolarHBondContact O-N 3.46Å; I122-N126 PolarHBondContact O-ND2 3.29Å; I122-N126 PolarHBondContact O-OD1 3.41Å; I123-N126 PolarHBondContact O-N 3.16Å; L124-N126 PolarHBondContact O-N 3.04Å; N126-D129 PolarHBondContact O-N 3.48Å; N126-L130 WeakPolarHBondContact O-CG 3.38Å; N126-L130 PolarHBondContact O-N 3.38Å
127A98.4Very high98.4Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-64.9-41174.200000111.5M26 V29 F30 I123 L124 L130 L131 F345M26-A127 HydrophobicContact CE-CB 4.24Å; M26-A127 HydrophobicContact SD-CB 3.77Å; V29-A127 HydrophobicContact CG1-CB 4.26Å; F30-A127 HydrophobicContact CE2-CB 3.87Å; F30-A127 HydrophobicContact CZ-CB 4.06Å; I123-A127 VanDerWaalsContact O-CB 3.26Å; I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 3.04Å; L124-A127 PolarHBondContact O-N 3.34Å; A127-L130 PolarHBondContact O-N 3.5Å; A127-L131 WeakPolarHBondContact O-CG 3.13Å; A127-L131 PolarHBondContact O-N 3.16Å; A127-L131 VanDerWaalsContact O-N 3.15Å; A127-F345 HydrophobicContact CB-CB 4.37Å; A127-F345 HydrophobicContact CB-CD1 3.36Å; A127-F345 HydrophobicContact CB-CD2 4.38Å; A127-F345 HydrophobicContact CB-CE1 3.56Å; A127-F345 HydrophobicContact CB-CG 3.8Å; A127-F345 HydrophobicContact CB-CZ 4.16Å
128L98.4Very high98.4Very high0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-61.7-43.3171.6-71.3166.1000111.6L124 R125 L130 L131 L132 L186 V189 R190 F345L124-L128 WeakPolarHBondContact O-CG 3.38Å; L124-L128 PolarHBondContact O-N 3.03Å; R125-L128 PolarHBondContact O-N 3.25Å; L128-L130 PolarHBondContact O-N 3.35Å; L128-L131 PolarHBondContact O-N 3.14Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 3.27Å; L128-L186 HydrophobicContact CD2-CG 4.15Å; L128-V189 HydrophobicContact CD1-CG1 4.09Å; L128-R190 HydrophobicContact CB-CB 4.07Å; L128-R190 HydrophobicContact CB-CG 4.05Å; L128-R190 HydrophobicContact CD1-CB 3.92Å; L128-R190 HydrophobicContact CD1-CG 4.47Å; L128-F345 HydrophobicContact CD2-CE1 3.94Å; L128-F345 HydrophobicContact CD2-CZ 4.2Å; L128-F345 HydrophobicContact CG-CE1 3.95Å; L128-F345 HydrophobicContact CG-CZ 4.11Å
129D98.5Very high98.4Very high55 Ų5527.9 Ų27.929%0.29414%0.144SC..Hα-helixtrans-61.6-27.8176.7-75.6-19.4000112.8R125 N126 P133 R190R125-D129 PolarHBondContact O-N 2.85Å; N126-D129 PolarHBondContact O-N 3.48Å; D129-P133 WeakPolarHBondContact O-CD 3.48Å; D129-P133 WeakPolarHBondContact O-CG 3.23Å; D129-R190 IonicContact OD1-CZ 2.73Å; D129-R190 IonicContact OD1-NE 2.84Å; D129-R190 PolarHBondContact OD1-NE 3.03Å; D129-R190 IonicContact OD1-NH2 3.05Å; D129-R190 PolarHBondContact OD1-NH2 3.26Å; D129-R190 IonicContact OD2-CZ 3.91Å; D129-R190 IonicContact OD2-NE 2.64Å; D129-R190 PolarHBondContact OD2-NE 3.23Å; D129-R190 IonicContact OD2-NH2 2.71Å; D129-R190 PolarHBondContact OD2-NH2 3.49Å
130L97.9Very high98.4Very high49 Ų4930.2 Ų30.226%0.25716%0.16SC..Hα-helixtrans-78.1-30.4172.3-68.8178000113.5E25 M26 V29 N126 A127 L128 K134E25-L130 HydrophobicContact CB-CD1 4.13Å; E25-L130 HydrophobicContact CB-CD2 4.36Å; M26-L130 HydrophobicContact CE-CB 3.83Å; M26-L130 HydrophobicContact CE-CD1 4.16Å; M26-L130 HydrophobicContact SD-CD1 4.17Å; V29-L130 HydrophobicContact CG2-CD1 3.87Å; N126-L130 WeakPolarHBondContact O-CG 3.38Å; N126-L130 PolarHBondContact O-N 3.38Å; A127-L130 PolarHBondContact O-N 3.5Å; L128-L130 PolarHBondContact O-N 3.35Å; L130-K134 WeakPolarHBondContact O-CD 3.06Å; L130-K134 WeakPolarHBondContact O-CG 3.06Å
131L97.7Very high98.3Very high17 Ų1736 Ų369%0.08918%0.179CC..Hα-helixtrans-79.9-43-179.2-70.6-177.6000112.6M26 A127 L128 K134 L135 L186 L255 F345M26-L131 HydrophobicContact CE-CD2 3.9Å; M26-L131 HydrophobicContact CE-CG 3.94Å; A127-L131 WeakPolarHBondContact O-CG 3.13Å; A127-L131 PolarHBondContact O-N 3.16Å; A127-L131 VanDerWaalsContact O-N 3.15Å; L128-L131 PolarHBondContact O-N 3.14Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 2.97Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-L186 HydrophobicContact CB-CD2 4.08Å; L131-L186 HydrophobicContact CD1-CD2 4.44Å; L131-L255 HydrophobicContact CD1-CD2 3.69Å; L131-F345 HydrophobicContact CD1-CD1 3.56Å; L131-F345 HydrophobicContact CD1-CE1 3.83Å; L131-F345 HydrophobicContact CG-CD1 4.3Å
132L98.3Very high98.3Very high22 Ų2237.5 Ų37.512%0.11519%0.188CC..Hα-helixtrans-47.8-53.3-178.5-75.6167.8000113.9L128 K134 L135 A136 L183 L186 K187 R190L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 3.27Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.16Å; L132-L135 PolarHBondContact O-N 2.64Å; L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 3.3Å; L132-L183 HydrophobicContact CD2-CD1 3.8Å; L132-L186 HydrophobicContact CD2-CB 3.74Å; L132-K187 HydrophobicContact CD1-CD 4.33Å; L132-K187 HydrophobicContact CD2-CB 4.18Å; L132-R190 HydrophobicContact CD1-CB 4.43Å; L132-R190 HydrophobicContact CD1-CG 4.3Å
133P97.6Very high98.3Very high56 Ų5639 Ų3936%0.36420%0.201SC..Hα-helixtrans-71.1-25.3-179.928.8-36.3000113D129 R137D129-P133 WeakPolarHBondContact O-CD 3.48Å; D129-P133 WeakPolarHBondContact O-CG 3.23Å; P133-R137 WeakPolarHBondContact O-CG 3.4Å; P133-R137 PolarHBondContact O-N 3.35Å; P133-R137 VanDerWaalsContact O-N 3.12Å; P133-R137 PolarHBondContact O-NH1 3.32Å
134K97.3Very high98.3Very high37 Ų3742.8 Ų42.816%0.16122%0.222CC..Hα-helixtrans-68.5-48.2173.9-68174.1-177.1179.60110.1S23 L130 L131 L132 A136 R137 V138 L350S23-K134 PolarHBondContact OG-NZ 3.04Å; S23-K134 VanDerWaalsContact OG-NZ 3.08Å; L130-K134 WeakPolarHBondContact O-CD 3.06Å; L130-K134 WeakPolarHBondContact O-CG 3.06Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 2.97Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.16Å; K134-A136 PolarHBondContact O-N 3.45Å; K134-R137 VanDerWaalsContact CG-NH2 3.28Å; K134-R137 WeakPolarHBondContact O-CB 3.46Å; K134-R137 PolarHBondContact O-N 3.11Å; K134-V138 PolarHBondContact O-N 3.47Å; K134-V138 VanDerWaalsContact O-N 3.07Å; K134-L350 HydrophobicContact CB-CB 4.37Å; K134-L350 HydrophobicContact CB-CD1 4.26Å
135L98.1Very high98.3Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-61.8-44.4177.3-178.355000111.6L131 L132 R137 V138 I139 L179 D182 L183 L186 L258 L350L131-L135 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 2.64Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.12Å; L135-V138 PolarHBondContact O-N 3.12Å; L135-V138 VanDerWaalsContact O-N 3.16Å; L135-I139 HydrophobicContact CD1-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CG1 4.45Å; L135-I139 HydrophobicContact CG-CD1 3.99Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 2.67Å; L135-L179 HydrophobicContact CD1-CB 4.11Å; L135-L179 HydrophobicContact CD1-CD2 3.89Å; L135-L179 HydrophobicContact CD1-CG 4.44Å; L135-D182 HydrophobicContact CD2-CB 4.15Å; L135-L183 HydrophobicContact CB-CD1 4.32Å; L135-L183 HydrophobicContact CD2-CB 3.83Å; L135-L183 HydrophobicContact CD2-CD1 4.09Å; L135-L183 HydrophobicContact CG-CB 4.24Å; L135-L183 HydrophobicContact CG-CD1 4.2Å; L135-L186 HydrophobicContact CD2-CD2 4.24Å; L135-L258 HydrophobicContact CD1-CD1 4.06Å; L135-L258 HydrophobicContact CD2-CD1 4.42Å; L135-L350 HydrophobicContact CB-CD1 3.9Å; L135-L350 HydrophobicContact CD1-CD1 4.45Å; L135-L350 HydrophobicContact CD1-CD2 3.9Å
136A98.3Very high98.3Very high42 Ų4244 Ų4435%0.34723%0.229SC..Hα-helixtrans-59.3-38.1175.600000112.8L132 K134 S140L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 3.3Å; K134-A136 PolarHBondContact O-N 3.45Å; A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 3.42Å
137R98.3Very high98.3Very high128 Ų12850.7 Ų50.748%0.48326%0.257SS..Hα-helixtrans-65.4-43.8174-78.3-172.2-62.3-91.86.6112.4P133 K134 L135 I139 S140 R141P133-R137 WeakPolarHBondContact O-CG 3.4Å; P133-R137 PolarHBondContact O-N 3.35Å; P133-R137 VanDerWaalsContact O-N 3.12Å; P133-R137 PolarHBondContact O-NH1 3.32Å; K134-R137 VanDerWaalsContact CG-NH2 3.28Å; K134-R137 WeakPolarHBondContact O-CB 3.46Å; K134-R137 PolarHBondContact O-N 3.11Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.12Å; R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I139 PolarHBondContact O-N 2.96Å; R137-S140 PolarHBondContact O-N 3.5Å; R137-R141 VanDerWaalsContact O-CG 3.3Å; R137-R141 WeakPolarHBondContact O-CG 2.98Å; R137-R141 PolarHBondContact O-N 2.92Å
138V98.2Very high98.3Very high31 Ų3156.8 Ų56.819%0.18829%0.285CS..Hα-helixtrans-58.8-48.6176.1174.10000110.2K134 L135 S140 R141 L142 L179 L350K134-V138 PolarHBondContact O-N 3.47Å; K134-V138 VanDerWaalsContact O-N 3.07Å; L135-V138 PolarHBondContact O-N 3.12Å; L135-V138 VanDerWaalsContact O-N 3.16Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.3Å; V138-R141 PolarHBondContact O-N 3.31Å; V138-L142 HydrophobicContact CG1-CD1 4.05Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.4Å; V138-L179 HydrophobicContact CG1-CD1 3.81Å; V138-L350 HydrophobicContact CG2-CB 4.14Å; V138-L350 HydrophobicContact CG2-CD2 4.43Å
139I98.6Very high98.3Very high20 Ų2061.3 Ų61.310%0.10330%0.302CS..Hα-helixtrans-56.9-48.3176.5-69.8162.9000110.9L135 R137 R141 L142 A143 I176 L179 L183L135-I139 HydrophobicContact CD1-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CG1 4.45Å; L135-I139 HydrophobicContact CG-CD1 3.99Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 2.67Å; R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I139 PolarHBondContact O-N 2.96Å; I139-R141 PolarHBondContact O-N 3.22Å; I139-L142 PolarHBondContact O-N 2.87Å; I139-A143 VanDerWaalsContact O-CB 3.32Å; I139-A143 WeakPolarHBondContact O-CB 3.32Å; I139-A143 PolarHBondContact O-N 3Å; I139-I176 HydrophobicContact CG2-CG2 4.27Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 HydrophobicContact CG1-CB 3.65Å; I139-L179 HydrophobicContact CG1-CD1 4.37Å; I139-L183 HydrophobicContact CD1-CB 3.94Å; I139-L183 HydrophobicContact CD1-CD2 3.86Å; I139-L183 HydrophobicContact CD1-CG 4.44Å
140S98.6Very high98.3Very high49 Ų4961 Ų6134%0.34331%0.307SS..Hα-helixtrans-60.2-44.6178.6166.80000112.2A136 R137 V138 A143 D144A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 3.42Å; R137-S140 PolarHBondContact O-N 3.5Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.3Å; S140-A143 WeakPolarHBondContact O-CB 3.34Å; S140-A143 PolarHBondContact O-N 3.03Å; S140-D144 VanDerWaalsContact O-CG 3.26Å; S140-D144 PolarHBondContact O-N 2.84Å
141R98.4Very high98.3Very high155 Ų15563.9 Ų63.959%0.58533%0.331SS*.Hα-helixtrans-66.1-40179.2-67.2-64.6177.3-83.7-1.1112.4R137 V138 I139 A143 D144 F145R137-R141 VanDerWaalsContact O-CG 3.3Å; R137-R141 WeakPolarHBondContact O-CG 2.98Å; R137-R141 PolarHBondContact O-N 2.92Å; V138-R141 PolarHBondContact O-N 3.31Å; I139-R141 PolarHBondContact O-N 3.22Å; R141-A143 VanDerWaalsContact C-N 3.33Å; R141-D144 PolarHBondContact O-N 3.43Å; R141-F145 PolarHBondContact O-N 3.37Å; R141-F145 VanDerWaalsContact O-N 3.1Å
142L98.4Very high98.4Very high33 Ų3366.7 Ų66.717%0.17335%0.346CS..Hα-helixtrans-67-37173.9-69.3177.8000111.3V138 I139 F145 A146 W175 I176 L179V138-L142 HydrophobicContact CG1-CD1 4.05Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.4Å; I139-L142 PolarHBondContact O-N 2.87Å; L142-F145 PolarHBondContact O-N 3.45Å; L142-A146 VanDerWaalsContact O-CB 3.25Å; L142-A146 WeakPolarHBondContact O-CB 3.14Å; L142-A146 PolarHBondContact O-N 3.21Å; L142-W175 HydrophobicContact CD2-CE3 4.41Å; L142-I176 HydrophobicContact CB-CD1 3.98Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.45Å; L142-L179 HydrophobicContact CD1-CD1 3.71Å
143A98.7Very high98.4Very high40 Ų4069.8 Ų69.833%0.33137%0.368SS..Hα-helixtrans-65.1-42176.100000112.3I139 S140 R141 A146 K147 I176I139-A143 VanDerWaalsContact O-CB 3.32Å; I139-A143 WeakPolarHBondContact O-CB 3.32Å; I139-A143 PolarHBondContact O-N 3Å; S140-A143 WeakPolarHBondContact O-CB 3.34Å; S140-A143 PolarHBondContact O-N 3.03Å; R141-A143 VanDerWaalsContact C-N 3.33Å; A143-A146 PolarHBondContact O-N 3.36Å; A143-K147 WeakPolarHBondContact O-CB 3.46Å; A143-K147 PolarHBondContact O-N 3.26Å; A143-I176 HydrophobicContact CB-CD1 4.26Å
144D98.7Very high98.5Very high90 Ų9067.8 Ų67.848%0.48135%0.354SS..Hα-helixtrans-58.3-48.7173.2-65.5-30.2000110.4S140 R141 K147 E148S140-D144 VanDerWaalsContact O-CG 3.26Å; S140-D144 PolarHBondContact O-N 2.84Å; R141-D144 PolarHBondContact O-N 3.43Å; D144-K147 PolarHBondContact O-N 2.87Å; D144-E148 WeakPolarHBondContact O-CB 3.07Å; D144-E148 PolarHBondContact O-N 3.17Å
145F98.5Very high98.5Very high58 Ų5868.9 Ų68.925%0.25436%0.361SS..Hα-helixtrans-61.8-43.9176.4177.5-99000112.7R141 L142 K147 E148 R149 V168 C172 M278R141-F145 PolarHBondContact O-N 3.37Å; R141-F145 VanDerWaalsContact O-N 3.1Å; L142-F145 PolarHBondContact O-N 3.45Å; F145-K147 VanDerWaalsContact C-N 3.3Å; F145-K147 PolarHBondContact O-N 2.81Å; F145-E148 PolarHBondContact O-N 3.47Å; F145-R149 HydrophobicContact CD2-CG 4.1Å; F145-R149 HydrophobicContact CE1-CG 4.35Å; F145-R149 HydrophobicContact CE2-CG 3.74Å; F145-R149 HydrophobicContact CZ-CG 3.88Å; F145-R149 WeakPolarHBondContact O-CB 3.47Å; F145-R149 WeakPolarHBondContact O-CG 3.41Å; F145-R149 PolarHBondContact O-N 3.09Å; F145-V168 HydrophobicContact CE1-CG1 3.71Å; F145-V168 HydrophobicContact CZ-CG1 3.66Å; F145-C172 HydrophobicContact CD1-CB 4.15Å; F145-C172 HydrophobicContact CE1-CB 4.37Å; F145-M278 HydrophobicContact CE1-CE 3.98Å; F145-M278 HydrophobicContact CZ-CE 3.73Å
146A98.6Very high98.6Very high7 Ų769.2 Ų69.26%0.05837%0.365CS..Hα-helixtrans-63.5-39179.700000111.5L142 A143 R149 A150 G169 C172 I176L142-A146 VanDerWaalsContact O-CB 3.25Å; L142-A146 WeakPolarHBondContact O-CB 3.14Å; L142-A146 PolarHBondContact O-N 3.21Å; A143-A146 PolarHBondContact O-N 3.36Å; A146-R149 CarbonylContact O-C 3.07Å; A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.04Å; A146-A150 PolarHBondContact O-N 3.04Å; A146-G169 WeakPolarHBondContact O-CA 3.35Å; A146-C172 HydrophobicContact CB-CB 3.94Å; A146-I176 HydrophobicContact CB-CD1 3.81Å
147K98.6Very high98.6Very high176 Ų17670 Ų7077%0.76536%0.361SS*.Hα-helixtrans-66.6-47.4175.3-174.5-179.7-180-177.40111.5A143 D144 F145 R149 A150A143-K147 WeakPolarHBondContact O-CB 3.46Å; A143-K147 PolarHBondContact O-N 3.26Å; D144-K147 PolarHBondContact O-N 2.87Å; F145-K147 VanDerWaalsContact C-N 3.3Å; F145-K147 PolarHBondContact O-N 2.81Å; K147-R149 VanDerWaalsContact C-N 3.26Å; K147-R149 PolarHBondContact O-N 3.49Å; K147-A150 WeakPolarHBondContact O-CB 3.29Å; K147-A150 PolarHBondContact O-N 2.93Å
148E98.7Very high98.6Very high128 Ų12868 Ų6860%0.59836%0.363SS*.Hα-helixtrans-59.2-38.6177.3-172.9-167142.100111.8D144 F145D144-E148 WeakPolarHBondContact O-CB 3.07Å; D144-E148 PolarHBondContact O-N 3.17Å; F145-E148 PolarHBondContact O-N 3.47Å
149R98.5Very high98.5Very high95 Ų9575.1 Ų75.136%0.35839%0.394SS..THydrogen-bonded Turntrans-102.117.9-176.1-52.9-58.2174.3158.7-5.2113.5F145 A146 K147 S151 L152 V168 G169F145-R149 HydrophobicContact CD2-CG 4.1Å; F145-R149 HydrophobicContact CE1-CG 4.35Å; F145-R149 HydrophobicContact CE2-CG 3.74Å; F145-R149 HydrophobicContact CZ-CG 3.88Å; F145-R149 WeakPolarHBondContact O-CB 3.47Å; F145-R149 WeakPolarHBondContact O-CG 3.41Å; F145-R149 PolarHBondContact O-N 3.09Å; A146-R149 CarbonylContact O-C 3.07Å; K147-R149 VanDerWaalsContact C-N 3.26Å; K147-R149 PolarHBondContact O-N 3.49Å; R149-S151 VanDerWaalsContact C-N 3.26Å; R149-S151 PolarHBondContact O-N 3.35Å; R149-L152 HydrophobicContact CB-CB 4.43Å; R149-L152 PolarHBondContact O-N 3.41Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.85Å; R149-V168 HydrophobicContact CG-CG1 4.25Å; R149-G169 WeakPolarHBondContact O-CA 3.08Å; R149-G169 PolarHBondContact O-N 3.39Å
150A98.4Very high98.5Very high48 Ų4878.7 Ų78.740%0.39741%0.408SS..THydrogen-bonded Turntrans-58.3-37.1-173.400000113.1A146 K147 T167A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.04Å; A146-A150 PolarHBondContact O-N 3.04Å; K147-A150 WeakPolarHBondContact O-CB 3.29Å; K147-A150 PolarHBondContact O-N 2.93Å; A150-T167 WeakPolarHBondContact O-CB 3.39Å; A150-T167 VanDerWaalsContact O-CG2 3.32Å; A150-T167 WeakPolarHBondContact O-CG2 3.41Å; A150-T167 PolarHBondContact O-OG1 3.28Å
151S98.6Very high98.5Very high110 Ų11082.3 Ų82.377%0.76942%0.42SS*.THydrogen-bonded Turntrans-104.64.1-176.7-55.30000114.1R149 P153R149-S151 VanDerWaalsContact C-N 3.26Å; R149-S151 PolarHBondContact O-N 3.35Å; S151-P153 WeakPolarHBondContact O-CD 3.17Å
152L98.7Very high98.5Very high76 Ų7679.2 Ų79.240%0.39842%0.42SS..  trans-78.7107.8-179.6175.859.2000110.1R149 T167 V168R149-L152 HydrophobicContact CB-CB 4.43Å; R149-L152 PolarHBondContact O-N 3.41Å; L152-T167 CarbonylContact O-C 3.48Å; L152-T167 WeakPolarHBondContact O-CA 3.42Å; L152-T167 VanDerWaalsContact O-CB 3.23Å; L152-T167 WeakPolarHBondContact O-CB 3.32Å; L152-V168 HydrophobicContact CB-CB 4.4Å; L152-V168 HydrophobicContact CB-CG2 4.42Å; L152-V168 HydrophobicContact CD2-CB 4.16Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.39Å; L152-V168 HydrophobicContact CG-CG2 3.91Å; L152-V168 PolarHBondContact O-N 2.95Å
153P98.7Very high98.5Very high87 Ų8779.3 Ų79.357%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-66.3145-178.8-17.233.5000111.2S151 T166S151-P153 WeakPolarHBondContact O-CD 3.17Å; P153-T166 WeakPolarHBondContact CA-O 3.44Å
154T98.8Very high98.5Very high14 Ų1486.2 Ų86.29%0.08645%0.451CS..EExtended strand (participates in β ladder)trans-148.3155.1173.1175.20000109G156 T166 V168 R171 E277T154-G156 PolarHBondContact O-N 3.02Å; T154-T166 HydrophobicContact CG2-CG2 3.73Å; T154-T166 PolarHBondContact N-O 3.44Å; T154-T166 PolarHBondContact O-N 2.99Å; T154-T166 VanDerWaalsContact O-O 3.11Å; T154-V168 HydrophobicContact CG2-CG2 3.8Å; T154-R171 PolarHBondContact OG1-NH1 2.94Å; T154-E277 PolarHBondContact OG1-OE2 3.3Å; T154-E277 VanDerWaalsContact OG1-OE2 3.08Å
155L98.8Very high98.5Very high59 Ų5987.9 Ų87.931%0.30946%0.459SS..EExtended strand (participates in β ladder)trans-61.6126.4178.9-17257.4000110.3F157 P162 L165 R171L155-F157 HydrophobicContact CB-CE2 4.35Å; L155-F157 HydrophobicContact CB-CZ 4.19Å; L155-F157 HydrophobicContact CD2-CE1 3.8Å; L155-F157 HydrophobicContact CD2-CZ 3.75Å; L155-F157 HydrophobicContact CG-CE1 4.17Å; L155-F157 HydrophobicContact CG-CZ 4.05Å; L155-P162 HydrophobicContact CD1-CB 4.16Å; L155-P162 HydrophobicContact CD2-CB 4.11Å; L155-P162 HydrophobicContact CD2-CG 4.25Å; L155-P162 HydrophobicContact CG-CB 4.46Å; L155-L165 HydrophobicContact CD1-CD2 4.21Å; L155-R171 PolarHBondContact O-NH2 2.87Å
156G98.6Very high98.5Very high7 Ų787.1 Ų87.17%0.07246%0.459CS..EExtended strand (participates in β ladder)trans-73.2150.3171.100000111.1T154 A163 Q164T154-G156 PolarHBondContact O-N 3.02Å; G156-A163 PolarHBondContact O-N 3.39Å; G156-Q164 VanDerWaalsContact CA-O 3.31Å; G156-Q164 WeakPolarHBondContact CA-O 3.48Å; G156-Q164 PolarHBondContact N-O 3.5Å
157F98.8Very high98.5Very high60 Ų6088.4 Ų88.426%0.26347%0.466SS..EExtended strand (participates in β ladder)trans-131.5124.3179.5-69.7-68.9000111.7L155 F160 Q161 L275L155-F157 HydrophobicContact CB-CE2 4.35Å; L155-F157 HydrophobicContact CB-CZ 4.19Å; L155-F157 HydrophobicContact CD2-CE1 3.8Å; L155-F157 HydrophobicContact CD2-CZ 3.75Å; L155-F157 HydrophobicContact CG-CE1 4.17Å; L155-F157 HydrophobicContact CG-CZ 4.05Å; F157-F160 HydrophobicContact CB-CD2 4.41Å; F157-F160 HydrophobicContact CD1-CD2 4.01Å; F157-F160 HydrophobicContact CD1-CE2 4.45Å; F157-F160 HydrophobicContact CE1-CD2 4.43Å; F157-F160 HydrophobicContact CE1-CE2 4.48Å; F157-F160 HydrophobicContact CG-CD2 4.08Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; F157-Q161 WeakPolarHBondContact CA-O 3.3Å; F157-L275 HydrophobicContact CE2-CD1 3.72Å; F157-L275 HydrophobicContact CZ-CD1 3.69Å
158T97.9Very high98.5Very high85 Ų8581 Ų8152%0.52144%0.436SS..EExtended strand (participates in β ladder)trans-127.1131.5166.254.90000107.3F160 Q161 A163T158-F160 PolarHBondContact O-N 3.48Å; T158-Q161 PolarHBondContact N-O 3.01Å; T158-Q161 WeakPolarHBondContact O-CB 3.28Å; T158-Q161 PolarHBondContact O-N 2.57Å; T158-A163 HydrophobicContact CG2-CB 4.31Å
159H97.8Very high98.5Very high181 Ų18175 Ų7584%0.83841%0.408SS*.THydrogen-bonded Turntrans56.823.2-167.3-49.1-84.9000113.9Q161H159-Q161 PolarHBondContact O-N 2.74Å; H159-Q161 VanDerWaalsContact O-N 3.13Å
160F98.1Very high98.5Very high94 Ų9476.2 Ų76.241%0.41242%0.416SS..THydrogen-bonded Turntrans54.323.7-169.1-158.6-139.8000114F157 T158 L271 L275F157-F160 HydrophobicContact CB-CD2 4.41Å; F157-F160 HydrophobicContact CD1-CD2 4.01Å; F157-F160 HydrophobicContact CD1-CE2 4.45Å; F157-F160 HydrophobicContact CE1-CD2 4.43Å; F157-F160 HydrophobicContact CE1-CE2 4.48Å; F157-F160 HydrophobicContact CG-CD2 4.08Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; T158-F160 PolarHBondContact O-N 3.48Å; F160-L271 HydrophobicContact CE1-CD2 4.13Å; F160-L271 HydrophobicContact CE2-CB 4.27Å; F160-L271 HydrophobicContact CE2-CD1 4.37Å; F160-L271 HydrophobicContact CZ-CB 4.18Å; F160-L271 HydrophobicContact CZ-CD2 4.07Å; F160-L271 HydrophobicContact CZ-CG 4.49Å; F160-L275 HydrophobicContact CE2-CD1 4.04Å; F160-L275 HydrophobicContact CZ-CD1 4.22Å; F160-L275 HydrophobicContact CZ-CD2 4.45Å; F160-L275 HydrophobicContact CZ-CG 4.41Å
161Q98.2Very high98.5Very high126 Ų12675.3 Ų75.359%0.58940%0.403SS*.EExtended strand (participates in β ladder)trans-101.1151.3170.6-67.1-61.5-45.800110.4F157 T158 H159 A163F157-Q161 WeakPolarHBondContact CA-O 3.3Å; T158-Q161 PolarHBondContact N-O 3.01Å; T158-Q161 WeakPolarHBondContact O-CB 3.28Å; T158-Q161 PolarHBondContact O-N 2.57Å; H159-Q161 PolarHBondContact O-N 2.74Å; H159-Q161 VanDerWaalsContact O-N 3.13Å; Q161-A163 PolarHBondContact O-N 2.84Å
162P98.6Very high98.5Very high89 Ų8970 Ų7058%0.57837%0.366SS*.EExtended strand (participates in β ladder)trans-52.6128.5175.8-26.935.8000112.3L155L155-P162 HydrophobicContact CD1-CB 4.16Å; L155-P162 HydrophobicContact CD2-CB 4.11Å; L155-P162 HydrophobicContact CD2-CG 4.25Å; L155-P162 HydrophobicContact CG-CB 4.46Å
163A98.4Very high98.6Very high35 Ų3569.4 Ų69.429%0.28937%0.367SS..EExtended strand (participates in β ladder)trans-129.8-176.1175.600000110.5G156 T158 Q161G156-A163 PolarHBondContact O-N 3.39Å; T158-A163 HydrophobicContact CG2-CB 4.31Å; Q161-A163 PolarHBondContact O-N 2.84Å
164Q98Very high98.6Very high185 Ų18569.4 Ų69.486%0.86436%0.362SS*.EExtended strand (participates in β ladder)trans-53.5143.1175-67.6-174.88.800111.2G156G156-Q164 VanDerWaalsContact CA-O 3.31Å; G156-Q164 WeakPolarHBondContact CA-O 3.48Å; G156-Q164 PolarHBondContact N-O 3.5Å
165L98.6Very high98.6Very high126 Ų12669 Ų6966%0.6636%0.359SS*.EExtended strand (participates in β ladder)trans-57.5145.2-179-62.7-178000111.3L155L155-L165 HydrophobicContact CD1-CD2 4.21Å
166T98.8Very high98.6Very high41 Ų4167.3 Ų67.325%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-122.3-169.1166.3-170.70000108.4P153 T154 K170P153-T166 WeakPolarHBondContact CA-O 3.44Å; T154-T166 HydrophobicContact CG2-CG2 3.73Å; T154-T166 PolarHBondContact N-O 3.44Å; T154-T166 PolarHBondContact O-N 2.99Å; T154-T166 VanDerWaalsContact O-O 3.11Å; T166-K170 WeakPolarHBondContact OG1-CG 3.18Å
167T98.9Very high98.6Very high34 Ų3472.9 Ų72.921%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-116154.5167.570.60000111.4A150 L152 G169 K170 R171A150-T167 WeakPolarHBondContact O-CB 3.39Å; A150-T167 VanDerWaalsContact O-CG2 3.32Å; A150-T167 WeakPolarHBondContact O-CG2 3.41Å; A150-T167 PolarHBondContact O-OG1 3.28Å; L152-T167 CarbonylContact O-C 3.48Å; L152-T167 WeakPolarHBondContact O-CA 3.42Å; L152-T167 VanDerWaalsContact O-CB 3.23Å; L152-T167 WeakPolarHBondContact O-CB 3.32Å; T167-G169 PolarHBondContact O-N 3.12Å; T167-K170 PolarHBondContact O-N 3.4Å; T167-K170 VanDerWaalsContact O-N 3.17Å; T167-K170 VanDerWaalsContact OG1-CB 3.24Å; T167-K170 WeakPolarHBondContact OG1-CB 3.43Å; T167-K170 PolarHBondContact OG1-N 3.01Å; T167-R171 PolarHBondContact O-N 3.39Å
168V98.8Very high98.6Very high21 Ų2172.2 Ų72.213%0.12737%0.373CS..Hα-helixtrans-57.8-43.1177.2172.20000110.2F145 R149 L152 T154 R171 C172 M278F145-V168 HydrophobicContact CE1-CG1 3.71Å; F145-V168 HydrophobicContact CZ-CG1 3.66Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.85Å; R149-V168 HydrophobicContact CG-CG1 4.25Å; L152-V168 HydrophobicContact CB-CB 4.4Å; L152-V168 HydrophobicContact CB-CG2 4.42Å; L152-V168 HydrophobicContact CD2-CB 4.16Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.39Å; L152-V168 HydrophobicContact CG-CG2 3.91Å; L152-V168 PolarHBondContact O-N 2.95Å; T154-V168 HydrophobicContact CG2-CG2 3.8Å; V168-R171 PolarHBondContact O-N 3.34Å; V168-C172 PolarHBondContact O-N 3.2Å; V168-M278 HydrophobicContact CG1-CE 4.03Å
169G98.7Very high98.6Very high2 Ų268.2 Ų68.22%0.02135%0.349CS..Hα-helixtrans-62.9-44175.100000113A146 R149 T167 R171 C172 C173A146-G169 WeakPolarHBondContact O-CA 3.35Å; R149-G169 WeakPolarHBondContact O-CA 3.08Å; R149-G169 PolarHBondContact O-N 3.39Å; T167-G169 PolarHBondContact O-N 3.12Å; G169-R171 VanDerWaalsContact C-N 3.34Å; G169-R171 PolarHBondContact O-N 2.92Å; G169-C172 WeakPolarHBondContact O-CB 3.36Å; G169-C172 PolarHBondContact O-N 2.97Å; G169-C172 VanDerWaalsContact O-N 3.14Å; G169-C173 PolarHBondContact O-N 3.49Å; G169-C173 PolarHBondContact O-SG 3.24Å
170K98.8Very high98.7Very high120 Ų12061.8 Ų61.852%0.52232%0.324SS..Hα-helixtrans-61.7-39.4176173.958.6-174.2-70.60112.4T166 T167 C173T166-K170 WeakPolarHBondContact OG1-CG 3.18Å; T167-K170 PolarHBondContact O-N 3.4Å; T167-K170 VanDerWaalsContact O-N 3.17Å; T167-K170 VanDerWaalsContact OG1-CB 3.24Å; T167-K170 WeakPolarHBondContact OG1-CB 3.43Å; T167-K170 PolarHBondContact OG1-N 3.01Å; K170-C173 WeakPolarHBondContact O-CB 3.27Å; K170-C173 PolarHBondContact O-N 3.35Å
171R98.8Very high98.7Very high29 Ų2962 Ų6211%0.10933%0.327CS..Hα-helixtrans-61.6-44.7173.3178176.1-72145.72.6110.9T154 L155 T167 V168 G169 C173 L174 W175T154-R171 PolarHBondContact OG1-NH1 2.94Å; L155-R171 PolarHBondContact O-NH2 2.87Å; T167-R171 PolarHBondContact O-N 3.39Å; V168-R171 PolarHBondContact O-N 3.34Å; G169-R171 VanDerWaalsContact C-N 3.34Å; G169-R171 PolarHBondContact O-N 2.92Å; R171-C173 VanDerWaalsContact C-N 3.28Å; R171-C173 PolarHBondContact O-N 3.03Å; R171-L174 VanDerWaalsContact O-CB 3.32Å; R171-L174 WeakPolarHBondContact O-CB 3.35Å; R171-L174 PolarHBondContact O-N 2.97Å; R171-L174 VanDerWaalsContact O-N 3.12Å; R171-W175 HydrophobicContact CG-CZ2 4.03Å
172C98.8Very high98.7Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-61.1-34.9176.5-169.50000112.6F145 A146 V168 G169 L174 W175 I176F145-C172 HydrophobicContact CD1-CB 4.15Å; F145-C172 HydrophobicContact CE1-CB 4.37Å; A146-C172 HydrophobicContact CB-CB 3.94Å; V168-C172 PolarHBondContact O-N 3.2Å; G169-C172 WeakPolarHBondContact O-CB 3.36Å; G169-C172 PolarHBondContact O-N 2.97Å; G169-C172 VanDerWaalsContact O-N 3.14Å; C172-L174 PolarHBondContact O-N 3.39Å; C172-W175 HydrophobicContact CB-CE3 4.1Å; C172-W175 HydrophobicContact CB-CZ3 4.29Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.43Å; C172-W175 PolarHBondContact O-N 2.97Å; C172-I176 WeakPolarHBondContact O-CG1 3.49Å; C172-I176 PolarHBondContact O-N 2.71Å
173C98.9Very high98.7Very high62 Ų6254 Ų5442%0.41928%0.283SS..Hα-helixtrans-59.3-28.5174.9-65.60000113.8G169 K170 R171 W175 I176 Q177G169-C173 PolarHBondContact O-N 3.49Å; G169-C173 PolarHBondContact O-SG 3.24Å; K170-C173 WeakPolarHBondContact O-CB 3.27Å; K170-C173 PolarHBondContact O-N 3.35Å; R171-C173 VanDerWaalsContact C-N 3.28Å; R171-C173 PolarHBondContact O-N 3.03Å; C173-W175 VanDerWaalsContact C-N 3.32Å; C173-I176 PolarHBondContact O-N 3.15Å; C173-Q177 WeakPolarHBondContact O-CB 3.36Å; C173-Q177 PolarHBondContact O-N 3.26Å
174L98.8Very high98.8Very high87 Ų8759 Ų5946%0.45530%0.3SS..Hα-helixtrans-62.7-42.9173.3-58.1175.3000110.8R171 C172 Q177 D178R171-L174 VanDerWaalsContact O-CB 3.32Å; R171-L174 WeakPolarHBondContact O-CB 3.35Å; R171-L174 PolarHBondContact O-N 2.97Å; R171-L174 VanDerWaalsContact O-N 3.12Å; C172-L174 PolarHBondContact O-N 3.39Å; L174-Q177 PolarHBondContact O-N 2.74Å; L174-D178 PolarHBondContact O-N 3.08Å
175W98.8Very high98.8Very high5 Ų552.3 Ų52.32%0.01927%0.271CS..Hα-helixtrans-66.4-43.3177.9-52.3-22.7000111.8L142 R171 C172 C173 Q177 D178 L179 I265 D268 I269 L272 M278L142-W175 HydrophobicContact CD2-CE3 4.41Å; R171-W175 HydrophobicContact CG-CZ2 4.03Å; C172-W175 HydrophobicContact CB-CE3 4.1Å; C172-W175 HydrophobicContact CB-CZ3 4.29Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.43Å; C172-W175 PolarHBondContact O-N 2.97Å; C173-W175 VanDerWaalsContact C-N 3.32Å; W175-Q177 VanDerWaalsContact C-N 3.31Å; W175-Q177 PolarHBondContact O-N 2.77Å; W175-D178 PolarHBondContact O-N 2.82Å; W175-L179 WeakPolarHBondContact O-CG 3.32Å; W175-L179 PolarHBondContact O-N 2.82Å; W175-I265 HydrophobicContact CB-CD1 3.74Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.22Å; W175-I265 HydrophobicContact CD2-CG2 3.96Å; W175-I265 HydrophobicContact CE3-CG2 4.18Å; W175-I265 HydrophobicContact CG-CB 4.31Å; W175-I265 HydrophobicContact CG-CD1 4.39Å; W175-I265 HydrophobicContact CG-CG1 3.72Å; W175-I265 HydrophobicContact CG-CG2 3.97Å; W175-D268 HydrophobicContact CZ2-CB 3.86Å; W175-D268 PolarHBondContact NE1-OD2 2.84Å; W175-I269 HydrophobicContact CH2-CG1 4.12Å; W175-I269 HydrophobicContact CZ3-CG1 4.49Å; W175-L272 HydrophobicContact CH2-CD1 4.23Å; W175-L272 HydrophobicContact CZ2-CD1 4.32Å; W175-M278 HydrophobicContact CH2-CE 4.31Å; W175-M278 HydrophobicContact CH2-SD 4.24Å
176I98.8Very high98.8Very high24 Ų2446.3 Ų46.312%0.12324%0.239CC..Hα-helixtrans-61.5-41.9178.5-66.9166.1000110.7I139 L142 A143 A146 C172 C173 D178 L179 C180I139-I176 HydrophobicContact CG2-CG2 4.27Å; L142-I176 HydrophobicContact CB-CD1 3.98Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.45Å; A143-I176 HydrophobicContact CB-CD1 4.26Å; A146-I176 HydrophobicContact CB-CD1 3.81Å; C172-I176 WeakPolarHBondContact O-CG1 3.49Å; C172-I176 PolarHBondContact O-N 2.71Å; C173-I176 PolarHBondContact O-N 3.15Å; I176-D178 PolarHBondContact O-N 2.6Å; I176-L179 PolarHBondContact O-N 2.99Å; I176-C180 WeakPolarHBondContact O-CB 3.43Å; I176-C180 PolarHBondContact O-N 2.95Å; I176-C180 PolarHBondContact O-SG 3.44Å
177Q98.9Very high98.8Very high124 Ų12448.9 Ų48.958%0.57925%0.247SC*.Hα-helixtrans-58.5-49.4-178.9-174.1177.9-84.800111.9C173 L174 W175 L179 C180 M181C173-Q177 WeakPolarHBondContact O-CB 3.36Å; C173-Q177 PolarHBondContact O-N 3.26Å; L174-Q177 PolarHBondContact O-N 2.74Å; W175-Q177 VanDerWaalsContact C-N 3.31Å; W175-Q177 PolarHBondContact O-N 2.77Å; Q177-L179 PolarHBondContact O-N 2.97Å; Q177-C180 WeakPolarHBondContact O-CB 3.26Å; Q177-C180 PolarHBondContact O-N 3.38Å; Q177-M181 WeakPolarHBondContact O-CG 3.34Å; Q177-M181 PolarHBondContact O-N 2.87Å; Q177-M181 VanDerWaalsContact O-N 3.11Å
178D98.9Very high98.8Very high46 Ų4651.9 Ų51.925%0.24625%0.254CS..Hα-helixtrans-60.7-45.4178.9-68.2-3.8000111.1L174 W175 I176 C180 M181 D182L174-D178 PolarHBondContact O-N 3.08Å; W175-D178 PolarHBondContact O-N 2.82Å; I176-D178 PolarHBondContact O-N 2.6Å; D178-C180 VanDerWaalsContact C-N 3.31Å; D178-C180 PolarHBondContact O-N 3.15Å; D178-M181 WeakPolarHBondContact O-CB 3.34Å; D178-M181 PolarHBondContact O-N 3.43Å; D178-M181 VanDerWaalsContact O-N 3.12Å; D178-D182 PolarHBondContact O-N 3.05Å
179L98.8Very high98.8Very high2 Ų251 Ų511%0.0125%0.249CC..Hα-helixtrans-65-33.1178.2-65.3177.1000113L135 V138 I139 L142 W175 I176 Q177 D182 L183 L258 V262 I265L135-L179 HydrophobicContact CD1-CB 4.11Å; L135-L179 HydrophobicContact CD1-CD2 3.89Å; L135-L179 HydrophobicContact CD1-CG 4.44Å; V138-L179 HydrophobicContact CG1-CD1 3.81Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 HydrophobicContact CG1-CB 3.65Å; I139-L179 HydrophobicContact CG1-CD1 4.37Å; L142-L179 HydrophobicContact CD1-CD1 3.71Å; W175-L179 WeakPolarHBondContact O-CG 3.32Å; W175-L179 PolarHBondContact O-N 2.82Å; I176-L179 PolarHBondContact O-N 2.99Å; Q177-L179 PolarHBondContact O-N 2.97Å; L179-D182 PolarHBondContact O-N 3.15Å; L179-L183 WeakPolarHBondContact O-CB 3.04Å; L179-L183 PolarHBondContact O-N 3.22Å; L179-L258 HydrophobicContact CD2-CD1 3.88Å; L179-V262 HydrophobicContact CD2-CG2 4.4Å; L179-I265 HydrophobicContact CD1-CD1 3.9Å; L179-I265 HydrophobicContact CD2-CD1 4.04Å; L179-I265 HydrophobicContact CG-CD1 3.81Å
180C98.9Very high98.8Very high46 Ų4654.4 Ų54.431%0.31126%0.261SS..Hα-helixtrans-65-39.9173-76.70000111.6I176 Q177 D178 D182 L183 Q184I176-C180 WeakPolarHBondContact O-CB 3.43Å; I176-C180 PolarHBondContact O-N 2.95Å; I176-C180 PolarHBondContact O-SG 3.44Å; Q177-C180 WeakPolarHBondContact O-CB 3.26Å; Q177-C180 PolarHBondContact O-N 3.38Å; D178-C180 VanDerWaalsContact C-N 3.31Å; D178-C180 PolarHBondContact O-N 3.15Å; C180-D182 VanDerWaalsContact C-N 3.32Å; C180-L183 PolarHBondContact O-N 3.41Å; C180-Q184 WeakPolarHBondContact O-CG 3.22Å; C180-Q184 PolarHBondContact O-N 2.79Å
181M98.9Very high98.8Very high98 Ų9851.8 Ų51.848%0.48325%0.253SS..Hα-helixtrans-61.4-43.5173.5-6416759.100110.8Q177 D178 L183 Q184 N185Q177-M181 WeakPolarHBondContact O-CG 3.34Å; Q177-M181 PolarHBondContact O-N 2.87Å; Q177-M181 VanDerWaalsContact O-N 3.11Å; D178-M181 WeakPolarHBondContact O-CB 3.34Å; D178-M181 PolarHBondContact O-N 3.43Å; D178-M181 VanDerWaalsContact O-N 3.12Å; M181-L183 PolarHBondContact O-N 2.99Å; M181-Q184 PolarHBondContact O-N 3.02Å; M181-N185 WeakPolarHBondContact O-CB 3.35Å; M181-N185 PolarHBondContact O-N 3.5Å; M181-N185 PolarHBondContact O-ND2 3.37Å
182D98.8Very high98.8Very high1 Ų155 Ų551%0.00527%0.272CS..Hα-helixtrans-63.5-40.5175.9-65.4-46.2000111.9L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261L135-D182 HydrophobicContact CD2-CB 4.15Å; D178-D182 PolarHBondContact O-N 3.05Å; L179-D182 PolarHBondContact O-N 3.15Å; C180-D182 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.37Å; D182-N185 PolarHBondContact O-N 3.46Å; D182-L186 VanDerWaalsContact O-CD1 3.25Å; D182-L186 WeakPolarHBondContact O-CD1 3.49Å; D182-L186 PolarHBondContact O-N 3.27Å; D182-S257 PolarHBondContact OD1-OG 3.5Å; D182-S257 VanDerWaalsContact OD1-OG 3.06Å; D182-L258 HydrophobicContact CB-CB 4.28Å; D182-L258 HydrophobicContact CB-CD1 3.84Å; D182-L258 PolarHBondContact OD1-N 3.31Å; D182-L258 WeakPolarHBondContact OD2-CA 3.22Å; D182-S261 WeakPolarHBondContact OD2-CB 3.1Å; D182-S261 PolarHBondContact OD2-OG 3.35Å
183L98.8Very high98.8Very high47 Ų4755.7 Ų55.725%0.24628%0.276CS..Hα-helixtrans-62.2-43.8177.5-177.566.9000111.8L132 L135 I139 L179 C180 M181 N185 K187L132-L183 HydrophobicContact CD2-CD1 3.8Å; L135-L183 HydrophobicContact CB-CD1 4.32Å; L135-L183 HydrophobicContact CD2-CB 3.83Å; L135-L183 HydrophobicContact CD2-CD1 4.09Å; L135-L183 HydrophobicContact CG-CB 4.24Å; L135-L183 HydrophobicContact CG-CD1 4.2Å; I139-L183 HydrophobicContact CD1-CB 3.94Å; I139-L183 HydrophobicContact CD1-CD2 3.86Å; I139-L183 HydrophobicContact CD1-CG 4.44Å; L179-L183 WeakPolarHBondContact O-CB 3.04Å; L179-L183 PolarHBondContact O-N 3.22Å; C180-L183 PolarHBondContact O-N 3.41Å; M181-L183 PolarHBondContact O-N 2.99Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å
184Q98.8Very high98.8Very high138 Ų13857.2 Ų57.265%0.64527%0.273SS*.Hα-helixtrans-60.9-43.7175.2-70.7172-49.900111.2C180 M181 D182 K187 R188C180-Q184 WeakPolarHBondContact O-CG 3.22Å; C180-Q184 PolarHBondContact O-N 2.79Å; M181-Q184 PolarHBondContact O-N 3.02Å; D182-Q184 PolarHBondContact O-N 3.37Å; Q184-K187 PolarHBondContact O-N 2.97Å; Q184-R188 WeakPolarHBondContact O-CB 3.41Å; Q184-R188 PolarHBondContact O-N 3.47Å
185N98.8Very high98.8Very high46 Ų4653.1 Ų53.125%0.24625%0.252CS..Hα-helixtrans-64.2-48.6178.5-82.1-36.7000112.6M181 D182 L183 K187 R188 V189 V254M181-N185 WeakPolarHBondContact O-CB 3.35Å; M181-N185 PolarHBondContact O-N 3.5Å; M181-N185 PolarHBondContact O-ND2 3.37Å; D182-N185 PolarHBondContact O-N 3.46Å; L183-N185 VanDerWaalsContact C-N 3.33Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 3.09Å; N185-R188 PolarHBondContact O-N 3.39Å; N185-R188 PolarHBondContact OD1-NH2 2.82Å; N185-V189 WeakPolarHBondContact O-CG2 3.37Å; N185-V189 PolarHBondContact O-N 3.37Å; N185-V254 HydrophobicContact CB-CB 4.11Å; N185-V254 HydrophobicContact CB-CG1 3.79Å
186L98.5Very high98.8Very high0 Ų052.9 Ų52.90%025%0.251CS..Hα-helixtrans-59.7-41177.1-92.464.2000111.2L128 L131 L132 L135 D182 R190 V254L128-L186 HydrophobicContact CD2-CG 4.15Å; L131-L186 HydrophobicContact CB-CD2 4.08Å; L131-L186 HydrophobicContact CD1-CD2 4.44Å; L132-L186 HydrophobicContact CD2-CB 3.74Å; L135-L186 HydrophobicContact CD2-CD2 4.24Å; D182-L186 VanDerWaalsContact O-CD1 3.25Å; D182-L186 WeakPolarHBondContact O-CD1 3.49Å; D182-L186 PolarHBondContact O-N 3.27Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.35Å; L186-R190 PolarHBondContact O-N 3.26Å; L186-V254 HydrophobicContact CD1-CB 4.1Å; L186-V254 HydrophobicContact CD1-CG2 3.89Å
187K98.8Very high98.8Very high94 Ų9451.8 Ų51.841%0.40925%0.245SC..Hα-helixtrans-64.2-46.5178-175.865.9167.278.20111.5L132 L183 Q184 N185 R190 D191L132-K187 HydrophobicContact CD1-CD 4.33Å; L132-K187 HydrophobicContact CD2-CB 4.18Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å; Q184-K187 PolarHBondContact O-N 2.97Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 3.09Å; K187-R190 PolarHBondContact O-N 3.03Å; K187-D191 IonicContact NZ-OD1 2.82Å; K187-D191 PolarHBondContact NZ-OD1 3.05Å; K187-D191 IonicContact NZ-OD2 3.79Å; K187-D191 PolarHBondContact NZ-OD2 2.96Å; K187-D191 WeakPolarHBondContact O-CB 3.47Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 2.78Å
188R98.8Very high98.7Very high97 Ų9745.9 Ų45.937%0.36622%0.217SC..Hα-helixtrans-57.9-54.1177.5179.4178.655.968.12.9110.9Q184 N185 R190 D191 D192 E250Q184-R188 WeakPolarHBondContact O-CB 3.41Å; Q184-R188 PolarHBondContact O-N 3.47Å; N185-R188 PolarHBondContact O-N 3.39Å; N185-R188 PolarHBondContact OD1-NH2 2.82Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 3.28Å; R188-D191 PolarHBondContact O-N 3.15Å; R188-D191 VanDerWaalsContact O-N 3.17Å; R188-D192 VanDerWaalsContact CG-OD2 3.27Å; R188-D192 WeakPolarHBondContact CG-OD2 3.24Å; R188-D192 VanDerWaalsContact O-CB 3.32Å; R188-D192 WeakPolarHBondContact O-CB 3.26Å; R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.34Å; R188-E250 IonicContact CZ-OE1 3.71Å; R188-E250 IonicContact NH1-OE1 2.84Å; R188-E250 PolarHBondContact NH1-OE1 2.97Å
189V98.7Very high98.7Very high4 Ų443.8 Ų43.82%0.02421%0.206CC..Hα-helixtrans-57.9-42.4179.3173.40000111.6L128 N185 L193 E250 V251 V254L128-V189 HydrophobicContact CD1-CG1 4.09Å; N185-V189 WeakPolarHBondContact O-CG2 3.37Å; N185-V189 PolarHBondContact O-N 3.37Å; V189-L193 PolarHBondContact O-N 3.27Å; V189-L193 VanDerWaalsContact O-N 3.16Å; V189-E250 HydrophobicContact CG2-CG 3.82Å; V189-V251 HydrophobicContact CG1-CB 4.3Å; V189-V251 HydrophobicContact CG1-CG2 3.56Å; V189-V254 HydrophobicContact CG2-CG1 3.91Å; V189-V254 HydrophobicContact CG2-CG2 4.06Å
190R98.7Very high98.7Very high72 Ų7243.8 Ų43.827%0.27221%0.207SC..Hα-helixtrans-62.3-46177.6-176.8-84.6-173-155.2-6.1112.1R125 L128 D129 L132 L186 K187 R188R125-R190 HydrophobicContact CG-CG 4.44Å; L128-R190 HydrophobicContact CB-CB 4.07Å; L128-R190 HydrophobicContact CB-CG 4.05Å; L128-R190 HydrophobicContact CD1-CB 3.92Å; L128-R190 HydrophobicContact CD1-CG 4.47Å; D129-R190 IonicContact OD1-CZ 2.73Å; D129-R190 IonicContact OD1-NE 2.84Å; D129-R190 PolarHBondContact OD1-NE 3.03Å; D129-R190 IonicContact OD1-NH2 3.05Å; D129-R190 PolarHBondContact OD1-NH2 3.26Å; D129-R190 IonicContact OD2-CZ 3.91Å; D129-R190 IonicContact OD2-NE 2.64Å; D129-R190 PolarHBondContact OD2-NE 3.23Å; D129-R190 IonicContact OD2-NH2 2.71Å; D129-R190 PolarHBondContact OD2-NH2 3.49Å; L132-R190 HydrophobicContact CD1-CB 4.43Å; L132-R190 HydrophobicContact CD1-CG 4.3Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.35Å; L186-R190 PolarHBondContact O-N 3.26Å; K187-R190 PolarHBondContact O-N 3.03Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 3.28Å
191D98.5Very high98.6Very high66 Ų6645.1 Ų45.135%0.35321%0.213SC..Hα-helixtrans-73.9-33.1-176.4-70.6-18.6000113.1K187 R188 L193K187-D191 IonicContact NZ-OD1 2.82Å; K187-D191 PolarHBondContact NZ-OD1 3.05Å; K187-D191 IonicContact NZ-OD2 3.79Å; K187-D191 PolarHBondContact NZ-OD2 2.96Å; K187-D191 WeakPolarHBondContact O-CB 3.47Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 2.78Å; R188-D191 PolarHBondContact O-N 3.15Å; R188-D191 VanDerWaalsContact O-N 3.17Å; D191-L193 VanDerWaalsContact C-N 3.33Å
192D98.7Very high98.5Very high95 Ų9543.7 Ų43.751%0.50821%0.211SC..Hα-helixtrans-82.4-12.6-178.9-69.5-20.9000112.6R188 R194R188-D192 VanDerWaalsContact CG-OD2 3.27Å; R188-D192 WeakPolarHBondContact CG-OD2 3.24Å; R188-D192 VanDerWaalsContact O-CB 3.32Å; R188-D192 WeakPolarHBondContact O-CB 3.26Å; R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.34Å; D192-R194 WeakPolarHBondContact O-CG 3.42Å; D192-R194 PolarHBondContact O-N 3.48Å
193L98.6Very high98.5Very high15 Ų1544.3 Ų44.38%0.07922%0.217CC..  trans-58.9123.4179.1-15971.6000110.5L121 L124 R125 V189 D191 F232 V247L121-L193 HydrophobicContact CD2-CD1 4Å; L121-L193 HydrophobicContact CD2-CD2 4.3Å; L121-L193 HydrophobicContact CD2-CG 4.11Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; R125-L193 HydrophobicContact CB-CD2 3.99Å; V189-L193 PolarHBondContact O-N 3.27Å; V189-L193 VanDerWaalsContact O-N 3.16Å; D191-L193 VanDerWaalsContact C-N 3.33Å; L193-F232 HydrophobicContact CB-CE1 4.29Å; L193-F232 HydrophobicContact CD2-CE1 4.03Å; L193-F232 HydrophobicContact CD2-CZ 4.29Å; L193-F232 HydrophobicContact CG-CE1 4.13Å; L193-F232 WeakPolarHBondContact O-CD1 3.48Å; L193-V247 HydrophobicContact CD1-CG1 3.51Å
194R98.9Very high98.5Very high95 Ų9546.5 Ų46.536%0.35823%0.233SC..  trans-105.6151.2180-54.1-176.2-168.6170.84.6110.7L121 D192 R234 F236L121-R194 WeakPolarHBondContact CD1-O 3.47Å; D192-R194 WeakPolarHBondContact O-CG 3.42Å; D192-R194 PolarHBondContact O-N 3.48Å; R194-R234 WeakPolarHBondContact CA-O 3.28Å; R194-R234 WeakPolarHBondContact CB-O 3.49Å; R194-R234 HydrophobicContact CG-CB 4.5Å; R194-F236 HydrophobicContact CB-CD2 3.85Å; R194-F236 HydrophobicContact CB-CE1 4.4Å; R194-F236 HydrophobicContact CB-CE2 3.66Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 HydrophobicContact CG-CZ 4.45Å
195F98.9Very high98.5Very high0 Ų041.9 Ų41.90%021%0.211CC..BIsolated β-bridgetrans-77149.7174.6-154.3-127.4000111.4L42 N118 I122 G197 V226 T227 A230 F232 R234 A235 F236L42-F195 HydrophobicContact CD2-CZ 3.81Å; N118-F195 HydrophobicContact CB-CD2 4.43Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.53Å; N118-F195 HydrophobicContact CB-CZ 3.43Å; N118-F195 VanDerWaalsContact CB-CZ 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.44Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.49Å; N118-F195 VanDerWaalsContact OD1-CE1 3.31Å; N118-F195 WeakPolarHBondContact OD1-CE1 2.98Å; N118-F195 VanDerWaalsContact OD1-CE2 3.27Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.23Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.45Å; I122-F195 HydrophobicContact CD1-CE2 4.26Å; I122-F195 HydrophobicContact CG1-CE2 4.26Å; F195-G197 VanDerWaalsContact CD1-N 3.32Å; F195-V226 HydrophobicContact CE1-CG2 4.36Å; F195-T227 HydrophobicContact CB-CG2 3.95Å; F195-T227 HydrophobicContact CD1-CG2 4.44Å; F195-A230 HydrophobicContact CD2-CB 4.26Å; F195-A230 HydrophobicContact CE1-CB 3.98Å; F195-A230 HydrophobicContact CE2-CB 3.67Å; F195-A230 HydrophobicContact CZ-CB 3.5Å; F195-A230 VanDerWaalsContact CZ-CB 3.5Å; F195-F232 HydrophobicContact CB-CB 3.79Å; F195-F232 HydrophobicContact CB-CD1 4.14Å; F195-F232 HydrophobicContact CB-CD2 4.18Å; F195-F232 HydrophobicContact CB-CG 3.78Å; F195-F232 HydrophobicContact CD2-CD1 4.48Å; F195-F232 AromaticContact CD2-CD2 3.42Å; F195-F232 HydrophobicContact CD2-CD2 3.42Å; F195-F232 VanDerWaalsContact CD2-CD2 3.42Å; F195-F232 AromaticContact CD2-CE2 3.58Å; F195-F232 HydrophobicContact CD2-CE2 3.58Å; F195-F232 AromaticContact CD2-CG 3.92Å; F195-F232 HydrophobicContact CD2-CG 3.92Å; F195-F232 HydrophobicContact CD2-CZ 4.19Å; F195-F232 HydrophobicContact CE2-CD2 4.02Å; F195-F232 HydrophobicContact CE2-CE2 4.01Å; F195-F232 HydrophobicContact CG-CB 4.35Å; F195-F232 HydrophobicContact CG-CD2 4.03Å; F195-F232 HydrophobicContact CG-CG 4.15Å; F195-R234 PolarHBondContact N-O 3.12Å; F195-A235 HydrophobicContact CB-CB 4.44Å; F195-A235 CarbonylContact O-C 3.59Å; F195-A235 WeakPolarHBondContact O-CA 3.11Å; F195-F236 WeakPolarHBondContact O-CD2 3.46Å; F195-F236 PolarHBondContact O-N 3.23Å
196R98.9Very high98.4Very high1 Ų141.9 Ų41.90%0.00422%0.217CC..  trans-73.9-46.3169.4176-169.1175.7-822.3109.8N118 L121 K199 G200 Q241N118-R196 VanDerWaalsContact OD1-CB 3.3Å; N118-R196 WeakPolarHBondContact OD1-CB 3.41Å; N118-R196 PolarHBondContact OD1-N 3.25Å; L121-R196 HydrophobicContact CD1-CB 4.1Å; R196-K199 HydrophobicContact CG-CG 4.26Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.36Å; R196-K199 PolarHBondContact O-NZ 2.92Å; R196-G200 PolarHBondContact NH2-O 3.33Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 2.99Å; R196-Q241 PolarHBondContact NH2-O 2.64Å
197G98.7Very high98.4Very high0 Ų043.5 Ų43.50%023%0.229CC..  trans73.3-149.2-176.900000113N118 F195 D223N118-G197 PolarHBondContact ND2-O 3.36Å; N118-G197 VanDerWaalsContact ND2-O 3.09Å; N118-G197 PolarHBondContact OD1-N 3.16Å; F195-G197 VanDerWaalsContact CD1-N 3.32Å; G197-D223 VanDerWaalsContact CA-OD1 3.23Å; G197-D223 WeakPolarHBondContact CA-OD1 3.47Å
198V98.5Very high98.4Very high0 Ų039.1 Ų39.10%021%0.209CC..SBendtrans-98.1108.7177.7-74.60000110.4L46 Y114 Q205 F208 L222 D223 V226L46-V198 HydrophobicContact CD1-CG1 3.78Å; Y114-V198 HydrophobicContact CD2-CG1 3.72Å; Y114-V198 HydrophobicContact CE2-CG1 3.63Å; V198-Q205 WeakPolarHBondContact O-CG 3.5Å; V198-Q205 PolarHBondContact O-NE2 2.88Å; V198-F208 HydrophobicContact CB-CD2 4.04Å; V198-F208 HydrophobicContact CB-CE2 3.58Å; V198-F208 HydrophobicContact CB-CZ 3.87Å; V198-F208 HydrophobicContact CG1-CE1 4.28Å; V198-F208 HydrophobicContact CG1-CE2 3.9Å; V198-F208 HydrophobicContact CG1-CZ 3.65Å; V198-L222 HydrophobicContact CG1-CD2 4.32Å; V198-L222 HydrophobicContact CG1-CG 4.38Å; V198-L222 HydrophobicContact CG2-CB 4.23Å; V198-L222 HydrophobicContact CG2-CD2 4.02Å; V198-L222 HydrophobicContact CG2-CG 3.78Å; V198-D223 VanDerWaalsContact CG2-CA 3.48Å; V198-D223 HydrophobicContact CG2-CB 3.72Å; V198-D223 PolarHBondContact N-OD1 3.32Å; V198-V226 HydrophobicContact CG1-CG2 4.32Å
199K98.6Very high98.4Very high2 Ų237.1 Ų37.11%0.00921%0.206CC..  trans-126.6-3.1-172.4-64-65.9-177.9-59.60115.3R196 G203 T204 Q205 D223 F236 T239R196-K199 HydrophobicContact CG-CG 4.26Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.36Å; R196-K199 PolarHBondContact O-NZ 2.92Å; K199-G203 CarbonylContact O-C 3.46Å; K199-G203 WeakPolarHBondContact O-CA 3.45Å; K199-G203 PolarHBondContact O-N 3.26Å; K199-T204 PolarHBondContact O-N 3.37Å; K199-Q205 HydrophobicContact CD-CG 4.26Å; K199-Q205 PolarHBondContact O-N 3.26Å; K199-D223 IonicContact NZ-OD1 3.47Å; K199-D223 PolarHBondContact NZ-OD1 3.33Å; K199-D223 IonicContact NZ-OD2 3.85Å; K199-D223 PolarHBondContact NZ-OD2 3.42Å; K199-F236 WeakPolarHBondContact CE-O 2.95Å; K199-F236 PolarHBondContact NZ-O 3.46Å; K199-F236 VanDerWaalsContact NZ-O 3.09Å; K199-T239 WeakPolarHBondContact CB-OG1 3.46Å; K199-T239 HydrophobicContact CG-CG2 4.21Å; K199-T239 WeakPolarHBondContact CG-OG1 3.35Å
200G97.4Very high98.4Very high2 Ų244.3 Ų44.32%0.02124%0.239CC..THydrogen-bonded Turntrans64.2-170.1-171.400000112.7T111 R196T111-G200 VanDerWaalsContact CG2-O 3.23Å; T111-G200 WeakPolarHBondContact CG2-O 3.49Å; R196-G200 PolarHBondContact NH2-O 3.33Å
201T96.8Very high98.3Very high74 Ų7443 Ų4345%0.45424%0.238SC..THydrogen-bonded Turntrans-74.6-28.1-171.6-57.10000114Q241T201-Q241 WeakPolarHBondContact O-CA 3.42Å; T201-Q241 WeakPolarHBondContact O-CB 3.36Å; T201-Q241 WeakPolarHBondContact O-CG 3.32Å; T201-Q241 PolarHBondContact O-NE2 2.84Å
202T98.3Very high98.4Very high69 Ų6940.4 Ų40.442%0.42322%0.223SC..THydrogen-bonded Turntrans-127.115.9-177.150.10000112.8T204 G240 E328T202-T204 VanDerWaalsContact C-N 3.34Å; T202-T204 PolarHBondContact O-N 3.23Å; T202-G240 CarbonylContact C-O 3.58Å; T202-E328 HydrophobicContact CG2-CG 4.48Å
203G98.1Very high98.3Very high14 Ų1444.9 Ų44.914%0.14424%0.241CC..SBendtrans90.3-9175.700000115.5K199 T239 G240K199-G203 CarbonylContact O-C 3.46Å; K199-G203 WeakPolarHBondContact O-CA 3.45Å; K199-G203 PolarHBondContact O-N 3.26Å; G203-T239 WeakPolarHBondContact CA-O 3.44Å; G203-G240 WeakPolarHBondContact CA-O 3.35Å; G203-G240 PolarHBondContact N-O 3.06Å; G203-G240 VanDerWaalsContact N-O 3.14Å
204T98.4Very high98.3Very high93 Ų9346.3 Ų46.357%0.57126%0.259SS*.SBendtrans-88.8-3.8-173.462.60000114.6K199 T202 A206K199-T204 PolarHBondContact O-N 3.37Å; T202-T204 VanDerWaalsContact C-N 3.34Å; T202-T204 PolarHBondContact O-N 3.23Å; T204-A206 PolarHBondContact O-N 2.86Å
205Q98.4Very high98.3Very high41 Ų4144.7 Ų44.719%0.19226%0.258CS..  trans59.113.9-178.7-59.9167.3-54.500115.4V198 K199 S207 F208 L209 V219V198-Q205 WeakPolarHBondContact O-CG 3.5Å; V198-Q205 PolarHBondContact O-NE2 2.88Å; K199-Q205 HydrophobicContact CD-CG 4.26Å; K199-Q205 PolarHBondContact O-N 3.26Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.36Å; Q205-S207 VanDerWaalsContact O-N 3.09Å; Q205-F208 PolarHBondContact O-N 3.46Å; Q205-L209 PolarHBondContact O-N 3.43Å; Q205-V219 HydrophobicContact CB-CG1 3.69Å; Q205-V219 HydrophobicContact CG-CG1 4.09Å
206A98.3Very high98.3Very high45 Ų4549.7 Ų49.737%0.37229%0.285SS..Hα-helixtrans-53.7-37.2-17300000114.4T204 L209 Q210T204-A206 PolarHBondContact O-N 2.86Å; A206-L209 PolarHBondContact O-N 3Å; A206-Q210 WeakPolarHBondContact O-CB 3.4Å; A206-Q210 VanDerWaalsContact O-CG 3.28Å; A206-Q210 WeakPolarHBondContact O-CG 3.48Å; A206-Q210 PolarHBondContact O-N 3.46Å
207S98.2Very high98.3Very high35 Ų3555 Ų5525%0.24531%0.309CS..Hα-helixtrans-63.1-42.1176.551.10000112.5G109 Q205 L211G109-S207 VanDerWaalsContact O-CB 3.28Å; G109-S207 WeakPolarHBondContact O-CB 3.35Å; G109-S207 PolarHBondContact O-OG 2.9Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.36Å; Q205-S207 VanDerWaalsContact O-N 3.09Å; S207-L211 PolarHBondContact O-N 3.48Å; S207-L211 VanDerWaalsContact O-N 3.09Å
208F98.6Very high98.3Very high1 Ų158.3 Ų58.30%0.00432%0.323CS..Hα-helixtrans-72-38.7176.2-66.8-70.9000111.6L46 G109 A110 V198 Q205 Q210 L211 F212 V219 L222L46-F208 HydrophobicContact CD1-CE1 4.15Å; L46-F208 HydrophobicContact CD1-CZ 4.37Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 WeakPolarHBondContact O-CE2 3.12Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å; A110-F208 HydrophobicContact CB-CZ 3.96Å; V198-F208 HydrophobicContact CB-CD2 4.04Å; V198-F208 HydrophobicContact CB-CE2 3.58Å; V198-F208 HydrophobicContact CB-CZ 3.87Å; V198-F208 HydrophobicContact CG1-CE1 4.28Å; V198-F208 HydrophobicContact CG1-CE2 3.9Å; V198-F208 HydrophobicContact CG1-CZ 3.65Å; Q205-F208 PolarHBondContact O-N 3.46Å; F208-Q210 VanDerWaalsContact C-N 3.29Å; F208-Q210 PolarHBondContact O-N 3.42Å; F208-L211 WeakPolarHBondContact O-CB 3.25Å; F208-L211 PolarHBondContact O-N 2.99Å; F208-L211 VanDerWaalsContact O-N 3.13Å; F208-F212 WeakPolarHBondContact O-CD2 3.35Å; F208-F212 PolarHBondContact O-N 3.42Å; F208-V219 HydrophobicContact CB-CG1 4.31Å; F208-V219 HydrophobicContact CB-CG2 4.2Å; F208-L222 HydrophobicContact CD1-CD2 3.49Å; F208-L222 VanDerWaalsContact CD1-CD2 3.49Å; F208-L222 HydrophobicContact CE1-CD2 3.73Å; F208-L222 HydrophobicContact CG-CD2 4.14Å
209L98.5Very high98.3Very high55 Ų5558.6 Ų58.629%0.28833%0.325SS..Hα-helixtrans-59.6-41.5175.2-172.966.1000111.5Q205 A206 F212 E213 G214 V219Q205-L209 PolarHBondContact O-N 3.43Å; A206-L209 PolarHBondContact O-N 3Å; L209-F212 CarbonylContact O-C 3.56Å; L209-F212 PolarHBondContact O-N 3.39Å; L209-E213 PolarHBondContact O-N 3.09Å; L209-G214 PolarHBondContact O-N 3.32Å; L209-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CD1-CG2 4.14Å
210Q98.4Very high98.3Very high155 Ų15564.5 Ų64.572%0.72435%0.353SS*.Hα-helixtrans-64.2-42.6173.4-73.9171.7-13.400112.3A206 F208 F212 E213A206-Q210 WeakPolarHBondContact O-CB 3.4Å; A206-Q210 VanDerWaalsContact O-CG 3.28Å; A206-Q210 WeakPolarHBondContact O-CG 3.48Å; A206-Q210 PolarHBondContact O-N 3.46Å; F208-Q210 VanDerWaalsContact C-N 3.29Å; F208-Q210 PolarHBondContact O-N 3.42Å; Q210-F212 PolarHBondContact O-N 2.85Å; Q210-E213 PolarHBondContact O-N 2.81Å; Q210-E213 VanDerWaalsContact O-N 3.13Å
211L97.8Very high98.3Very high46 Ų4668 Ų6824%0.24137%0.369CS..Hα-helixtrans-61.3-32176.9-105.9138000113.2L55 L108 S207 F208L55-L211 HydrophobicContact CD1-CD2 3.69Å; L55-L211 HydrophobicContact CD2-CD2 3.9Å; L55-L211 HydrophobicContact CG-CD2 4.48Å; L108-L211 HydrophobicContact CD1-CD1 4.4Å; L108-L211 HydrophobicContact CD1-CD2 4.09Å; L108-L211 HydrophobicContact CD2-CD2 3.75Å; L108-L211 HydrophobicContact CG-CD1 4.17Å; L108-L211 HydrophobicContact CG-CD2 3.71Å; S207-L211 PolarHBondContact O-N 3.48Å; S207-L211 VanDerWaalsContact O-N 3.09Å; F208-L211 WeakPolarHBondContact O-CB 3.25Å; F208-L211 PolarHBondContact O-N 2.99Å; F208-L211 VanDerWaalsContact O-N 3.13Å
212F98.6Very high98.4Very high11 Ų1164.5 Ų64.55%0.04835%0.347CS..THydrogen-bonded Turntrans-100.123.7176.1-63.4-62.7000113.2L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222L53-F212 HydrophobicContact CB-CE1 3.78Å; L53-F212 HydrophobicContact CB-CZ 4.07Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.92Å; L55-F212 HydrophobicContact CD1-CE1 3.73Å; L55-F212 HydrophobicContact CD1-CZ 3.85Å; L55-F212 HydrophobicContact CD2-CD1 4.39Å; L55-F212 HydrophobicContact CD2-CE1 4.23Å; L55-F212 HydrophobicContact CG-CD1 4.33Å; L55-F212 HydrophobicContact CG-CE1 3.68Å; L55-F212 HydrophobicContact CG-CZ 4.31Å; F208-F212 WeakPolarHBondContact O-CD2 3.35Å; F208-F212 PolarHBondContact O-N 3.42Å; L209-F212 CarbonylContact O-C 3.56Å; L209-F212 PolarHBondContact O-N 3.39Å; Q210-F212 PolarHBondContact O-N 2.85Å; F212-G214 PolarHBondContact O-N 2.85Å; F212-G214 VanDerWaalsContact O-N 3.08Å; F212-D215 HydrophobicContact CB-CB 4.3Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.33Å; F212-D215 PolarHBondContact O-N 3.49Å; F212-K218 HydrophobicContact CB-CB 4.08Å; F212-K218 HydrophobicContact CB-CD 4.26Å; F212-K218 HydrophobicContact CD1-CB 3.96Å; F212-K218 HydrophobicContact CD1-CD 3.66Å; F212-K218 HydrophobicContact CD1-CG 4.46Å; F212-K218 HydrophobicContact CD2-CB 4.07Å; F212-K218 HydrophobicContact CE1-CB 4.38Å; F212-K218 HydrophobicContact CE1-CD 4.26Å; F212-K218 HydrophobicContact CG-CB 3.78Å; F212-K218 HydrophobicContact CG-CD 4.14Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; F212-L222 HydrophobicContact CE2-CB 4.36Å; F212-L222 HydrophobicContact CE2-CD2 3.79Å; F212-L222 HydrophobicContact CZ-CD2 4.16Å
213E98.3Very high98.5Very high188 Ų18862.1 Ų62.188%0.87933%0.332SS*.THydrogen-bonded Turntrans55.430.9172.2-57.7177.2-16100114.4L209 Q210L209-E213 PolarHBondContact O-N 3.09Å; Q210-E213 PolarHBondContact O-N 2.81Å; Q210-E213 VanDerWaalsContact O-N 3.13Å
214G98.1Very high98.5Very high45 Ų4567.7 Ų67.746%0.46435%0.352SS..THydrogen-bonded Turntrans88.79.1-179.100000115.2L209 F212 D216L209-G214 PolarHBondContact O-N 3.32Å; F212-G214 PolarHBondContact O-N 2.85Å; F212-G214 VanDerWaalsContact O-N 3.08Å; G214-D216 PolarHBondContact O-N 2.93Å
215D98.6Very high98.5Very high62 Ų6265.1 Ų65.133%0.33233%0.334SS..  trans-81.295177-171-24.2000111.7F212 H217 K218 V219F212-D215 HydrophobicContact CB-CB 4.3Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.33Å; F212-D215 PolarHBondContact O-N 3.49Å; D215-H217 PolarHBondContact O-N 3.26Å; D215-H217 WeakPolarHBondContact OD1-CA 3.45Å; D215-H217 WeakPolarHBondContact OD1-CB 3.44Å; D215-H217 PolarHBondContact OD1-N 3.1Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.28Å; D215-K218 HydrophobicContact CB-CG 4.29Å; D215-K218 PolarHBondContact O-N 3.5Å; D215-K218 PolarHBondContact OD1-N 3.5Å; D215-K218 VanDerWaalsContact OD1-N 3.12Å; D215-K218 WeakPolarHBondContact OD2-CG 3.46Å; D215-V219 PolarHBondContact O-N 3.27Å
216D98.5Very high98.5Very high105 Ų10563.2 Ų63.256%0.56133%0.325SS*.Hα-helixtrans-55.6-36.9176.1-68.1-77.3000112.5G214 K218 V219 E220G214-D216 PolarHBondContact O-N 2.93Å; D216-K218 PolarHBondContact O-N 2.96Å; D216-V219 WeakPolarHBondContact O-CB 3.41Å; D216-V219 PolarHBondContact O-N 2.96Å; D216-V219 VanDerWaalsContact O-N 3.17Å; D216-E220 PolarHBondContact O-N 3.1Å
217H98.6Very high98.6Very high111 Ų11161.3 Ų61.351%0.51431%0.309SS..Hα-helixtrans-66.5-39.8-175.9-171.157.4000111.6D215 V219 E220 Q221D215-H217 PolarHBondContact O-N 3.26Å; D215-H217 WeakPolarHBondContact OD1-CA 3.45Å; D215-H217 WeakPolarHBondContact OD1-CB 3.44Å; D215-H217 PolarHBondContact OD1-N 3.1Å; H217-V219 VanDerWaalsContact C-N 3.33Å; H217-V219 PolarHBondContact O-N 2.91Å; H217-E220 PolarHBondContact O-N 3.42Å; H217-Q221 PolarHBondContact CD2-NE2 2.97Å; H217-Q221 PolarHBondContact NE2-NE2 3.47Å; H217-Q221 WeakPolarHBondContact O-CB 3.04Å; H217-Q221 WeakPolarHBondContact O-CG 3.5Å; H217-Q221 PolarHBondContact O-N 3.28Å
218K98.6Very high98.6Very high70 Ų7065.2 Ų65.230%0.30432%0.323SS..Hα-helixtrans-64.4-37.4174-74.9-174.2-177.9-163.90112.4L53 F212 D215 D216 Q221 L222L53-K218 WeakPolarHBondContact CD1-O 3.41Å; L53-K218 HydrophobicContact CD2-CG 4.46Å; L53-K218 PolarHBondContact O-NZ 3.16Å; F212-K218 HydrophobicContact CB-CB 4.08Å; F212-K218 HydrophobicContact CB-CD 4.26Å; F212-K218 HydrophobicContact CD1-CB 3.96Å; F212-K218 HydrophobicContact CD1-CD 3.66Å; F212-K218 HydrophobicContact CD1-CG 4.46Å; F212-K218 HydrophobicContact CD2-CB 4.07Å; F212-K218 HydrophobicContact CE1-CB 4.38Å; F212-K218 HydrophobicContact CE1-CD 4.26Å; F212-K218 HydrophobicContact CG-CB 3.78Å; F212-K218 HydrophobicContact CG-CD 4.14Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.28Å; D215-K218 HydrophobicContact CB-CG 4.29Å; D215-K218 PolarHBondContact O-N 3.5Å; D215-K218 PolarHBondContact OD1-N 3.5Å; D215-K218 VanDerWaalsContact OD1-N 3.12Å; D215-K218 WeakPolarHBondContact OD2-CG 3.46Å; D216-K218 PolarHBondContact O-N 2.96Å; K218-Q221 PolarHBondContact O-N 3.07Å; K218-L222 WeakPolarHBondContact O-CB 3.3Å; K218-L222 PolarHBondContact O-N 3.48Å
219V98.8Very high98.6Very high6 Ų668.9 Ų68.94%0.03634%0.339CS..Hα-helixtrans-63.9-45.2175.9178.30000110.9Q205 F208 L209 F212 D215 D216 H217 L222 D223Q205-V219 HydrophobicContact CB-CG1 3.69Å; Q205-V219 HydrophobicContact CG-CG1 4.09Å; F208-V219 HydrophobicContact CB-CG1 4.31Å; F208-V219 HydrophobicContact CB-CG2 4.2Å; L209-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CD1-CG2 4.14Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; D215-V219 PolarHBondContact O-N 3.27Å; D216-V219 WeakPolarHBondContact O-CB 3.41Å; D216-V219 PolarHBondContact O-N 2.96Å; D216-V219 VanDerWaalsContact O-N 3.17Å; H217-V219 VanDerWaalsContact C-N 3.33Å; H217-V219 PolarHBondContact O-N 2.91Å; V219-L222 PolarHBondContact O-N 3.15Å; V219-D223 PolarHBondContact O-N 2.99Å; V219-D223 VanDerWaalsContact O-N 3.13Å
220E98.7Very high98.6Very high126 Ų12666.5 Ų66.559%0.58933%0.327SS*.Hα-helixtrans-62.7-42175.5-70.7-175.6-104.100112.2D216 H217 D223 K224D216-E220 PolarHBondContact O-N 3.1Å; H217-E220 PolarHBondContact O-N 3.42Å; E220-D223 PolarHBondContact O-N 3.09Å; E220-K224 PolarHBondContact O-N 3.26Å
221Q98.8Very high98.6Very high76 Ų7661.6 Ų61.636%0.35532%0.319SS..Hα-helixtrans-63.9-42.7175.6-74.8-167.4900111.8L53 H217 K218 D223 K224 M225L53-Q221 HydrophobicContact CD2-CB 3.88Å; H217-Q221 PolarHBondContact CD2-NE2 2.97Å; H217-Q221 PolarHBondContact NE2-NE2 3.47Å; H217-Q221 WeakPolarHBondContact O-CB 3.04Å; H217-Q221 WeakPolarHBondContact O-CG 3.5Å; H217-Q221 PolarHBondContact O-N 3.28Å; K218-Q221 PolarHBondContact O-N 3.07Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.19Å; Q221-K224 PolarHBondContact O-N 3.04Å; Q221-M225 WeakPolarHBondContact O-CB 3.4Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.33Å; Q221-M225 PolarHBondContact O-N 2.87Å
222L98.9Very high98.7Very high0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-56.9-47.4176.9-178.759.7000110.6L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226L46-L222 HydrophobicContact CD1-CD1 4.2Å; L46-L222 HydrophobicContact CD1-CD2 4.26Å; A49-L222 HydrophobicContact CB-CD1 3.49Å; A49-L222 VanDerWaalsContact CB-CD1 3.49Å; E50-L222 HydrophobicContact CG-CD1 4.01Å; E50-L222 HydrophobicContact CG-CD2 4.29Å; L53-L222 HydrophobicContact CD1-CB 3.6Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.39Å; V198-L222 HydrophobicContact CG1-CD2 4.32Å; V198-L222 HydrophobicContact CG1-CG 4.38Å; V198-L222 HydrophobicContact CG2-CB 4.23Å; V198-L222 HydrophobicContact CG2-CD2 4.02Å; V198-L222 HydrophobicContact CG2-CG 3.78Å; F208-L222 HydrophobicContact CD1-CD2 3.49Å; F208-L222 VanDerWaalsContact CD1-CD2 3.49Å; F208-L222 HydrophobicContact CE1-CD2 3.73Å; F208-L222 HydrophobicContact CG-CD2 4.14Å; F212-L222 HydrophobicContact CE2-CB 4.36Å; F212-L222 HydrophobicContact CE2-CD2 3.79Å; F212-L222 HydrophobicContact CZ-CD2 4.16Å; K218-L222 WeakPolarHBondContact O-CB 3.3Å; K218-L222 PolarHBondContact O-N 3.48Å; V219-L222 PolarHBondContact O-N 3.15Å; L222-K224 PolarHBondContact O-N 3.21Å; L222-M225 PolarHBondContact O-N 2.65Å; L222-V226 HydrophobicContact CD1-CG1 4.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.28Å; L222-V226 VanDerWaalsContact O-N 3.07Å
223D98.9Very high98.7Very high20 Ų2068.9 Ų68.911%0.10735%0.349CS..Hα-helixtrans-61-42.9178.3-163.449.8000112.7G197 V198 K199 V219 E220 Q221 V226 T227G197-D223 VanDerWaalsContact CA-OD1 3.23Å; G197-D223 WeakPolarHBondContact CA-OD1 3.47Å; V198-D223 VanDerWaalsContact CG2-CA 3.48Å; V198-D223 HydrophobicContact CG2-CB 3.72Å; V198-D223 PolarHBondContact N-OD1 3.32Å; K199-D223 IonicContact NZ-OD1 3.47Å; K199-D223 PolarHBondContact NZ-OD1 3.33Å; K199-D223 IonicContact NZ-OD2 3.85Å; K199-D223 PolarHBondContact NZ-OD2 3.42Å; V219-D223 PolarHBondContact O-N 2.99Å; V219-D223 VanDerWaalsContact O-N 3.13Å; E220-D223 PolarHBondContact O-N 3.09Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.19Å; D223-V226 WeakPolarHBondContact O-CG2 3.37Å; D223-T227 VanDerWaalsContact O-CB 3.27Å; D223-T227 WeakPolarHBondContact O-CB 3.35Å; D223-T227 PolarHBondContact O-N 3.22Å; D223-T227 PolarHBondContact O-OG1 3.25Å
224K98.9Very high98.7Very high131 Ų13166.8 Ų66.857%0.5733%0.333SS*.Hα-helixtrans-63.6-47.8175.9-176.8178.3173.1-175.60111.7E220 Q221 L222 T227 E228E220-K224 PolarHBondContact O-N 3.26Å; Q221-K224 PolarHBondContact O-N 3.04Å; L222-K224 PolarHBondContact O-N 3.21Å; K224-T227 WeakPolarHBondContact O-CB 3.47Å; K224-T227 PolarHBondContact O-N 3.46Å; K224-E228 WeakPolarHBondContact CE-OE1 3.41Å; K224-E228 WeakPolarHBondContact CG-OE1 3.15Å; K224-E228 WeakPolarHBondContact O-CG 3.39Å; K224-E228 PolarHBondContact O-N 3.25Å
225M98.9Very high98.7Very high39 Ų3965.4 Ų65.419%0.19232%0.317CS..Hα-helixtrans-62.6-46.4-177-72.1176.975.400112.5A49 T52 L53 Q221 L222 T227 E228 K229A49-M225 HydrophobicContact CB-CB 3.95Å; A49-M225 HydrophobicContact CB-CE 4Å; A49-M225 HydrophobicContact CB-SD 4.21Å; T52-M225 HydrophobicContact CG2-CE 3.74Å; L53-M225 HydrophobicContact CD1-SD 4.37Å; L53-M225 HydrophobicContact CD2-SD 4.34Å; L53-M225 HydrophobicContact CG-SD 4.25Å; Q221-M225 WeakPolarHBondContact O-CB 3.4Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.33Å; Q221-M225 PolarHBondContact O-N 2.87Å; L222-M225 PolarHBondContact O-N 2.65Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 2.8Å; M225-E228 PolarHBondContact O-N 3.43Å; M225-K229 WeakPolarHBondContact O-CB 3.18Å; M225-K229 VanDerWaalsContact O-CG 3.32Å; M225-K229 WeakPolarHBondContact O-CG 3.25Å; M225-K229 PolarHBondContact O-N 2.73Å
226V98.9Very high98.7Very high0 Ų063.8 Ų63.80%031%0.307CS..Hα-helixtrans-67.3-32.4178.1-59.40000111.8L46 A49 F195 V198 L222 D223 A230L46-V226 HydrophobicContact CD1-CG1 4.49Å; A49-V226 HydrophobicContact CB-CG1 4.22Å; F195-V226 HydrophobicContact CE1-CG2 4.36Å; V198-V226 HydrophobicContact CG1-CG2 4.32Å; L222-V226 HydrophobicContact CD1-CG1 4.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.28Å; L222-V226 VanDerWaalsContact O-N 3.07Å; D223-V226 WeakPolarHBondContact O-CG2 3.37Å; V226-A230 WeakPolarHBondContact O-CB 3.3Å; V226-A230 PolarHBondContact O-N 3.48Å
227T98.9Very high98.7Very high6 Ų665 Ų654%0.03731%0.312CS..Hα-helixtrans-66.1-46176-62.70000111.6F195 D223 K224 M225 A230 G231 F232 A235F195-T227 HydrophobicContact CB-CG2 3.95Å; F195-T227 HydrophobicContact CD1-CG2 4.44Å; D223-T227 VanDerWaalsContact O-CB 3.27Å; D223-T227 WeakPolarHBondContact O-CB 3.35Å; D223-T227 PolarHBondContact O-N 3.22Å; D223-T227 PolarHBondContact O-OG1 3.25Å; K224-T227 WeakPolarHBondContact O-CB 3.47Å; K224-T227 PolarHBondContact O-N 3.46Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 2.8Å; T227-A230 PolarHBondContact O-N 3.48Å; T227-G231 PolarHBondContact O-N 3.45Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 3.45Å; T227-A235 HydrophobicContact CG2-CB 4.11Å
228E98.8Very high98.7Very high117 Ų11766.6 Ų66.655%0.54732%0.323SS..Hα-helixtrans-65-45177-73.1176.2-176.900111.6K224 M225 A230 G231K224-E228 WeakPolarHBondContact CE-OE1 3.41Å; K224-E228 WeakPolarHBondContact CG-OE1 3.15Å; K224-E228 WeakPolarHBondContact O-CG 3.39Å; K224-E228 PolarHBondContact O-N 3.25Å; M225-E228 PolarHBondContact O-N 3.43Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.49Å; E228-G231 WeakPolarHBondContact O-CA 2.93Å; E228-G231 PolarHBondContact O-N 3.03Å
229K98.8Very high98.8Very high77 Ų7764.3 Ų64.334%0.33532%0.315SS..Hα-helixtrans-58.8-36.1175.1-74.9173.3179.5-76.20112.3W45 E48 M225 G231W45-K229 HydrophobicContact CB-CB 4.25Å; W45-K229 HydrophobicContact CB-CD 3.81Å; W45-K229 HydrophobicContact CD2-CB 3.86Å; W45-K229 HydrophobicContact CE3-CB 4.41Å; W45-K229 HydrophobicContact CG-CB 3.77Å; W45-K229 HydrophobicContact CG-CD 3.92Å; W45-K229 HydrophobicContact CG-CG 4.39Å; W45-K229 WeakPolarHBondContact CZ2-O 3.48Å; E48-K229 IonicContact OE2-NZ 2.74Å; E48-K229 PolarHBondContact OE2-NZ 3Å; M225-K229 WeakPolarHBondContact O-CB 3.18Å; M225-K229 VanDerWaalsContact O-CG 3.32Å; M225-K229 WeakPolarHBondContact O-CG 3.25Å; M225-K229 PolarHBondContact O-N 2.73Å; K229-G231 PolarHBondContact O-N 3.35Å
230A98.7Very high98.7Very high5 Ų565.1 Ų65.14%0.04132%0.324CS..THydrogen-bonded Turntrans-75.2-4.2174.700000114.2W45 R125 F195 V226 T227 E228 F232W45-A230 HydrophobicContact CE3-CB 4.16Å; W45-A230 HydrophobicContact CH2-CB 4.29Å; W45-A230 HydrophobicContact CZ3-CB 3.63Å; R125-A230 PolarHBondContact NH1-O 3.44Å; R125-A230 PolarHBondContact NH2-O 3.47Å; F195-A230 HydrophobicContact CD2-CB 4.26Å; F195-A230 HydrophobicContact CE1-CB 3.98Å; F195-A230 HydrophobicContact CE2-CB 3.67Å; F195-A230 HydrophobicContact CZ-CB 3.5Å; F195-A230 VanDerWaalsContact CZ-CB 3.5Å; V226-A230 WeakPolarHBondContact O-CB 3.3Å; V226-A230 PolarHBondContact O-N 3.48Å; T227-A230 PolarHBondContact O-N 3.48Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.49Å; A230-F232 VanDerWaalsContact C-N 3.34Å; A230-F232 HydrophobicContact CB-CD2 4.02Å
231G98.7Very high98.7Very high53 Ų5361.2 Ų61.255%0.54631%0.306SS..THydrogen-bonded Turntrans73.52318000000113.8R125 T227 E228 K229R125-G231 VanDerWaalsContact NH1-C 3.32Å; R125-G231 PolarHBondContact NH1-O 3.11Å; T227-G231 PolarHBondContact O-N 3.45Å; E228-G231 WeakPolarHBondContact O-CA 2.93Å; E228-G231 PolarHBondContact O-N 3.03Å; K229-G231 PolarHBondContact O-N 3.35Å
232F98.8Very high98.7Very high11 Ų1158 Ų585%0.04829%0.292CS..  trans-94.5139.4173.4-80.7-96.8000110.2L121 I122 R125 L193 F195 T227 A230 R234L121-F232 HydrophobicContact CB-CZ 4.15Å; I122-F232 HydrophobicContact CG1-CE2 3.97Å; R125-F232 HydrophobicContact CB-CZ 4.25Å; L193-F232 HydrophobicContact CB-CE1 4.29Å; L193-F232 HydrophobicContact CD2-CE1 4.03Å; L193-F232 HydrophobicContact CD2-CZ 4.29Å; L193-F232 HydrophobicContact CG-CE1 4.13Å; L193-F232 WeakPolarHBondContact O-CD1 3.48Å; F195-F232 HydrophobicContact CB-CB 3.79Å; F195-F232 HydrophobicContact CB-CD1 4.14Å; F195-F232 HydrophobicContact CB-CD2 4.18Å; F195-F232 HydrophobicContact CB-CG 3.78Å; F195-F232 HydrophobicContact CD2-CD1 4.48Å; F195-F232 AromaticContact CD2-CD2 3.42Å; F195-F232 HydrophobicContact CD2-CD2 3.42Å; F195-F232 VanDerWaalsContact CD2-CD2 3.42Å; F195-F232 AromaticContact CD2-CE2 3.58Å; F195-F232 HydrophobicContact CD2-CE2 3.58Å; F195-F232 AromaticContact CD2-CG 3.92Å; F195-F232 HydrophobicContact CD2-CG 3.92Å; F195-F232 HydrophobicContact CD2-CZ 4.19Å; F195-F232 HydrophobicContact CE2-CD2 4.02Å; F195-F232 HydrophobicContact CE2-CE2 4.01Å; F195-F232 HydrophobicContact CG-CB 4.35Å; F195-F232 HydrophobicContact CG-CD2 4.03Å; F195-F232 HydrophobicContact CG-CG 4.15Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 3.45Å; A230-F232 VanDerWaalsContact C-N 3.34Å; A230-F232 HydrophobicContact CB-CD2 4.02Å; F232-R234 VanDerWaalsContact C-N 3.34Å
233K98.3Very high98.7Very high199 Ų19958 Ų5887%0.86529%0.292SS*.SBendtrans-74.8-26.3178.2-65.3-177.5179.7178.80112.8
234R98.4Very high98.7Very high143 Ų14360.7 Ų60.754%0.5431%0.309SS..  trans-150.9143.3-172-159.8175.1-177.81723.2111R194 F195 F232R194-R234 WeakPolarHBondContact CA-O 3.28Å; R194-R234 WeakPolarHBondContact CB-O 3.49Å; R194-R234 HydrophobicContact CG-CB 4.5Å; F195-R234 PolarHBondContact N-O 3.12Å; F232-R234 VanDerWaalsContact C-N 3.34Å
235A98.8Very high98.7Very high16 Ų1654.8 Ų54.813%0.13228%0.283CS..BIsolated β-bridgetrans-101.3162.616800000111.5F195 T227F195-A235 HydrophobicContact CB-CB 4.44Å; F195-A235 CarbonylContact O-C 3.59Å; F195-A235 WeakPolarHBondContact O-CA 3.11Å; T227-A235 HydrophobicContact CG2-CB 4.11Å
236F98.9Very high98.7Very high29 Ų2959.6 Ų59.613%0.12730%0.303CS..  trans-67.5137.2163.2-72.6-78.4000110R194 F195 K199 T239 V247R194-F236 HydrophobicContact CB-CD2 3.85Å; R194-F236 HydrophobicContact CB-CE1 4.4Å; R194-F236 HydrophobicContact CB-CE2 3.66Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 HydrophobicContact CG-CZ 4.45Å; F195-F236 WeakPolarHBondContact O-CD2 3.46Å; F195-F236 PolarHBondContact O-N 3.23Å; K199-F236 WeakPolarHBondContact CE-O 2.95Å; K199-F236 PolarHBondContact NZ-O 3.46Å; K199-F236 VanDerWaalsContact NZ-O 3.09Å; F236-T239 HydrophobicContact CB-CG2 3.58Å; F236-T239 HydrophobicContact CG-CG2 4.29Å; F236-V247 HydrophobicContact CE2-CG2 4.49Å; F236-V247 HydrophobicContact CZ-CG2 3.87Å
237I98.7Very high98.7Very high131 Ų13160.3 Ų60.367%0.67231%0.307SS*.SBendtrans-82.1-48.4167.4-60.8172000108.6
238I98.8Very high98.7Very high144 Ų14460.2 Ų60.274%0.73831%0.306SS*.SBendtrans-102.1121.5-176.6-51.9-58.4000109.8
239T98.8Very high98.7Very high22 Ų2256 Ų5614%0.13529%0.287CS..  trans-141.2156.8171.663.10000109.3K199 G203 F236 T242K199-T239 WeakPolarHBondContact CB-OG1 3.46Å; K199-T239 HydrophobicContact CG-CG2 4.21Å; K199-T239 WeakPolarHBondContact CG-OG1 3.35Å; G203-T239 WeakPolarHBondContact CA-O 3.44Å; F236-T239 HydrophobicContact CB-CG2 3.58Å; F236-T239 HydrophobicContact CG-CG2 4.29Å; T239-T242 WeakPolarHBondContact CB-O 3.45Å
240G98.5Very high98.7Very high22 Ų2255.9 Ų55.923%0.22729%0.288CS..SBendtrans-80.7-130.7153.600000109.1T202 G203 T242T202-G240 CarbonylContact C-O 3.58Å; G203-G240 WeakPolarHBondContact CA-O 3.35Å; G203-G240 PolarHBondContact N-O 3.06Å; G203-G240 VanDerWaalsContact N-O 3.14Å; G240-T242 VanDerWaalsContact C-N 3.31Å
241Q98.7Very high98.7Very high44 Ų4455.7 Ų55.721%0.20629%0.286CS..SBendtrans-69.7-30.2171.5-170.7169.7114.300112.6C113 R196 T201 E328 R329C113-Q241 HydrophobicContact CB-CG 4.36Å; C113-Q241 WeakPolarHBondContact CB-O 3.21Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 2.99Å; R196-Q241 PolarHBondContact NH2-O 2.64Å; T201-Q241 WeakPolarHBondContact O-CA 3.42Å; T201-Q241 WeakPolarHBondContact O-CB 3.36Å; T201-Q241 WeakPolarHBondContact O-CG 3.32Å; T201-Q241 PolarHBondContact O-NE2 2.84Å; Q241-E328 PolarHBondContact N-O 3.45Å; Q241-R329 HydrophobicContact CB-CB 3.74Å
242T98.9Very high98.7Very high10 Ų1053.2 Ų53.26%0.06126%0.26CS..SBendtrans-119.3167.8-169.450.40000111.8D117 T239 G240 R329D117-T242 WeakPolarHBondContact OD2-CA 3.37Å; D117-T242 WeakPolarHBondContact OD2-CB 3.29Å; D117-T242 WeakPolarHBondContact OD2-CG2 3.4Å; T239-T242 WeakPolarHBondContact CB-O 3.45Å; G240-T242 VanDerWaalsContact C-N 3.31Å; T242-R329 HydrophobicContact CG2-CG 4.24Å
243Y98.9Very high98.7Very high0 Ų054.9 Ų54.90%027%0.273CS..SBendtrans-64.9147.3156.273-99.6000108.7D117 D120 L121 R245 V247 D248 R337D117-Y243 HydrophobicContact CB-CD1 3.81Å; D117-Y243 HydrophobicContact CB-CE1 4.14Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.33Å; D117-Y243 PolarHBondContact OD2-N 3.44Å; D120-Y243 HydrophobicContact CB-CE1 4.4Å; L121-Y243 HydrophobicContact CD1-CD1 3.72Å; L121-Y243 HydrophobicContact CD1-CE1 4.33Å; L121-Y243 HydrophobicContact CD1-CG 4.14Å; L121-Y243 HydrophobicContact CD2-CD1 3.98Å; L121-Y243 HydrophobicContact CD2-CD2 4.32Å; L121-Y243 HydrophobicContact CD2-CE1 4.03Å; L121-Y243 HydrophobicContact CD2-CE2 4.39Å; L121-Y243 HydrophobicContact CD2-CG 4.13Å; L121-Y243 HydrophobicContact CG-CD1 3.75Å; L121-Y243 HydrophobicContact CG-CE1 3.85Å; L121-Y243 HydrophobicContact CG-CG 4.33Å; Y243-R245 VanDerWaalsContact CZ-NH1 3.25Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-R245 PolarHBondContact O-NH1 2.97Å; Y243-V247 HydrophobicContact CD2-CB 3.88Å; Y243-V247 HydrophobicContact CD2-CG1 4.35Å; Y243-V247 HydrophobicContact CD2-CG2 4.1Å; Y243-V247 HydrophobicContact CE2-CB 3.86Å; Y243-V247 HydrophobicContact CE2-CG1 4.14Å; Y243-D248 VanDerWaalsContact CE2-OD1 3.22Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.49Å; Y243-D248 PolarHBondContact OH-OD1 3.29Å; Y243-D248 PolarHBondContact OH-OD2 3.47Å; Y243-R337 PolarHBondContact OH-NH2 3.44Å
244T98.8Very high98.7Very high75 Ų7545.9 Ų45.946%0.4624%0.235SC..  trans-59.1129-177.7178.40000111.5K246 V247T244-K246 HydrophobicContact CG2-CB 4.19Å; T244-K246 PolarHBondContact O-N 3.35Å; T244-K246 PolarHBondContact OG1-N 3.43Å; T244-V247 HydrophobicContact CG2-CG2 4.04Å; T244-V247 WeakPolarHBondContact O-CB 3.37Å; T244-V247 WeakPolarHBondContact O-CG2 3.25Å; T244-V247 PolarHBondContact O-N 2.9Å
245R98.8Very high98.7Very high7 Ų739.1 Ų39.13%0.02621%0.209CC..THydrogen-bonded Turntrans-65-6.3177.6-57.8-51.5-176.2-1456.6113.3D117 Y243 V247 D248 I249 A322 Q325 D333D117-R245 IonicContact OD1-CZ 3.69Å; D117-R245 IonicContact OD1-NH1 3.12Å; D117-R245 PolarHBondContact OD1-NH1 3.14Å; D117-R245 IonicContact OD1-NH2 2.66Å; D117-R245 PolarHBondContact OD1-NH2 3.34Å; D117-R245 IonicContact OD2-CZ 2.89Å; D117-R245 IonicContact OD2-NH1 3.98Å; D117-R245 PolarHBondContact OD2-NH1 3.35Å; D117-R245 IonicContact OD2-NH2 3.83Å; D117-R245 PolarHBondContact OD2-NH2 3.17Å; Y243-R245 VanDerWaalsContact CZ-NH1 3.25Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-R245 PolarHBondContact O-NH1 2.97Å; R245-V247 PolarHBondContact O-N 3.33Å; R245-D248 WeakPolarHBondContact CD-OD2 3.49Å; R245-D248 WeakPolarHBondContact O-CB 3.48Å; R245-D248 PolarHBondContact O-N 3.26Å; R245-D248 VanDerWaalsContact O-N 3.09Å; R245-I249 PolarHBondContact O-N 3.36Å; R245-A322 HydrophobicContact CB-CB 3.94Å; R245-Q325 HydrophobicContact CG-CG 4.24Å; R245-D333 IonicContact CZ-OD2 3.38Å; R245-D333 IonicContact NE-OD2 3.5Å; R245-D333 PolarHBondContact NE-OD2 3.49Å; R245-D333 IonicContact NH2-OD2 3.83Å; R245-D333 PolarHBondContact NH2-OD2 2.97Å
246K98.9Very high98.6Very high140 Ų14038.9 Ų38.961%0.60921%0.208SC*.Hα-helixtrans-60.6-28.2165.5-169.8174.5177.864.90113.1T244 D248 I249 E250T244-K246 HydrophobicContact CG2-CB 4.19Å; T244-K246 PolarHBondContact O-N 3.35Å; T244-K246 PolarHBondContact OG1-N 3.43Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 3.35Å; K246-I249 WeakPolarHBondContact O-CB 3.28Å; K246-I249 PolarHBondContact O-N 2.76Å; K246-E250 PolarHBondContact O-N 3.36Å
247V98.9Very high98.6Very high16 Ų1640 Ų4010%0.09722%0.219CC..Hα-helixtrans-61.6-40.2172.2172.80000110.7L193 F236 Y243 T244 R245 I249 E250 V251L193-V247 HydrophobicContact CD1-CG1 3.51Å; F236-V247 HydrophobicContact CE2-CG2 4.49Å; F236-V247 HydrophobicContact CZ-CG2 3.87Å; Y243-V247 HydrophobicContact CD2-CB 3.88Å; Y243-V247 HydrophobicContact CD2-CG1 4.35Å; Y243-V247 HydrophobicContact CD2-CG2 4.1Å; Y243-V247 HydrophobicContact CE2-CB 3.86Å; Y243-V247 HydrophobicContact CE2-CG1 4.14Å; T244-V247 HydrophobicContact CG2-CG2 4.04Å; T244-V247 WeakPolarHBondContact O-CB 3.37Å; T244-V247 WeakPolarHBondContact O-CG2 3.25Å; T244-V247 PolarHBondContact O-N 2.9Å; R245-V247 PolarHBondContact O-N 3.33Å; V247-I249 VanDerWaalsContact C-N 3.3Å; V247-I249 PolarHBondContact O-N 3.04Å; V247-E250 PolarHBondContact O-N 3.3Å; V247-E250 VanDerWaalsContact O-N 3.15Å; V247-V251 HydrophobicContact CG1-CG2 4.36Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 3.33Å
248D98.8Very high98.6Very high3 Ų333.9 Ų33.92%0.01619%0.188CC..Hα-helixtrans-64.7-38.2178.6-61.1-13.8000110.5Y243 R245 K246 L252 P318 R337 L341Y243-D248 VanDerWaalsContact CE2-OD1 3.22Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.49Å; Y243-D248 PolarHBondContact OH-OD1 3.29Å; Y243-D248 PolarHBondContact OH-OD2 3.47Å; R245-D248 WeakPolarHBondContact CD-OD2 3.49Å; R245-D248 WeakPolarHBondContact O-CB 3.48Å; R245-D248 PolarHBondContact O-N 3.26Å; R245-D248 VanDerWaalsContact O-N 3.09Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 3.35Å; D248-L252 WeakPolarHBondContact O-CB 3.41Å; D248-L252 WeakPolarHBondContact O-CD1 3.19Å; D248-L252 PolarHBondContact O-N 3.34Å; D248-P318 HydrophobicContact CB-CB 4Å; D248-R337 WeakPolarHBondContact OD2-CD 3.48Å; D248-R337 IonicContact OD2-CZ 2.81Å; D248-R337 IonicContact OD2-NE 2.91Å; D248-R337 PolarHBondContact OD2-NE 2.64Å; D248-L341 HydrophobicContact CB-CD2 4.24Å
249I98.8Very high98.6Very high29 Ų2927 Ų2715%0.14915%0.153CC..Hα-helixtrans-59.3-49.1171.9-63.3170.2000110.5R245 K246 V247 V251 L252 S253 P318 L319 A322R245-I249 PolarHBondContact O-N 3.36Å; K246-I249 WeakPolarHBondContact O-CB 3.28Å; K246-I249 PolarHBondContact O-N 2.76Å; V247-I249 VanDerWaalsContact C-N 3.3Å; V247-I249 PolarHBondContact O-N 3.04Å; I249-V251 PolarHBondContact O-N 2.88Å; I249-L252 PolarHBondContact O-N 2.94Å; I249-S253 WeakPolarHBondContact O-CB 3.46Å; I249-S253 PolarHBondContact O-N 2.88Å; I249-S253 PolarHBondContact O-OG 2.98Å; I249-P318 HydrophobicContact CG1-CB 3.9Å; I249-P318 HydrophobicContact CG1-CG 4.47Å; I249-P318 WeakPolarHBondContact CG1-O 3.43Å; I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.75Å; I249-L319 HydrophobicContact CG2-CG 4.44Å; I249-A322 HydrophobicContact CD1-CB 3.65Å; I249-A322 HydrophobicContact CG1-CB 4.32Å
250E98.6Very high98.6Very high75 Ų7528.2 Ų28.235%0.3516%0.164SC..Hα-helixtrans-60.7-45.3-177-174.3172.6178.700112R188 V189 K246 V247 V254R188-E250 IonicContact CZ-OE1 3.71Å; R188-E250 IonicContact NH1-OE1 2.84Å; R188-E250 PolarHBondContact NH1-OE1 2.97Å; V189-E250 HydrophobicContact CG2-CG 3.82Å; K246-E250 PolarHBondContact O-N 3.36Å; V247-E250 PolarHBondContact O-N 3.3Å; V247-E250 VanDerWaalsContact O-N 3.15Å; E250-V254 PolarHBondContact O-N 3.06Å
251V98.4Very high98.6Very high1 Ų127.6 Ų27.61%0.00616%0.157CC..Hα-helixtrans-65.3-47.9178.4178.60000111.3L124 V189 V247 I249 V254 L255 F345L124-V251 HydrophobicContact CD2-CG1 4.39Å; V189-V251 HydrophobicContact CG1-CB 4.3Å; V189-V251 HydrophobicContact CG1-CG2 3.56Å; V247-V251 HydrophobicContact CG1-CG2 4.36Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 3.33Å; I249-V251 PolarHBondContact O-N 2.88Å; V251-V254 WeakPolarHBondContact O-CG2 3.39Å; V251-L255 HydrophobicContact CG1-CD1 4.44Å; V251-L255 WeakPolarHBondContact O-CG 3.23Å; V251-L255 PolarHBondContact O-N 3.48Å; V251-F345 HydrophobicContact CG1-CE2 3.88Å; V251-F345 HydrophobicContact CG1-CZ 3.58Å
252L97.9Very high98.6Very high0 Ų025.9 Ų25.90%015%0.149CC..Hα-helixtrans-75.9-27.4-173.8-84.151.6000112.2D248 I249 L255 A256 P318 L341 H344D248-L252 WeakPolarHBondContact O-CB 3.41Å; D248-L252 WeakPolarHBondContact O-CD1 3.19Å; D248-L252 PolarHBondContact O-N 3.34Å; I249-L252 PolarHBondContact O-N 2.94Å; L252-L255 PolarHBondContact O-N 3.4Å; L252-A256 WeakPolarHBondContact O-CB 3.29Å; L252-A256 PolarHBondContact O-N 2.6Å; L252-P318 HydrophobicContact CB-CG 3.93Å; L252-P318 HydrophobicContact CD2-CB 4.14Å; L252-P318 HydrophobicContact CD2-CG 3.54Å; L252-P318 HydrophobicContact CG-CG 4.37Å; L252-L341 HydrophobicContact CD1-CD2 3.66Å; L252-L341 HydrophobicContact CD2-CD2 3.94Å; L252-L341 HydrophobicContact CG-CD2 4.49Å; L252-H344 WeakPolarHBondContact CD2-CE1 3.27Å; L252-H344 WeakPolarHBondContact CD2-ND1 3.49Å; L252-H344 HydrophobicContact CG-CB 4.24Å; L252-H344 WeakPolarHBondContact CG-CE1 3Å
253S98.6Very high98.6Very high46 Ų4627.3 Ų27.332%0.32216%0.155SC..Hα-helixtrans-65.1-41.1175.2-59.50000112.2I249 L255 A256 S257I249-S253 WeakPolarHBondContact O-CB 3.46Å; I249-S253 PolarHBondContact O-N 2.88Å; I249-S253 PolarHBondContact O-OG 2.98Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.49Å; S253-A256 PolarHBondContact O-N 2.93Å; S253-S257 PolarHBondContact O-N 3.29Å
254V98.5Very high98.6Very high10 Ų1031.2 Ų31.26%0.06117%0.172CC..Hα-helixtrans-70.2-30.2178.2-58.80000111.9N185 L186 V189 E250 V251 L258N185-V254 HydrophobicContact CB-CB 4.11Å; N185-V254 HydrophobicContact CB-CG1 3.79Å; L186-V254 HydrophobicContact CD1-CB 4.1Å; L186-V254 HydrophobicContact CD1-CG2 3.89Å; V189-V254 HydrophobicContact CG2-CG1 3.91Å; V189-V254 HydrophobicContact CG2-CG2 4.06Å; E250-V254 PolarHBondContact O-N 3.06Å; V251-V254 WeakPolarHBondContact O-CG2 3.39Å; V254-L258 PolarHBondContact O-N 2.78Å
255L98Very high98.6Very high1 Ų128.2 Ų28.21%0.00515%0.153CC..Hα-helixtrans-71.9-39.3172.4-63.6176.7000111.8L131 V251 L252 S253 S257 L258 G259 L311 H344 F345L131-L255 HydrophobicContact CD1-CD2 3.69Å; V251-L255 HydrophobicContact CG1-CD1 4.44Å; V251-L255 WeakPolarHBondContact O-CG 3.23Å; V251-L255 PolarHBondContact O-N 3.48Å; L252-L255 PolarHBondContact O-N 3.4Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.49Å; L255-S257 VanDerWaalsContact C-N 3.35Å; L255-L258 WeakPolarHBondContact O-CB 3.04Å; L255-L258 PolarHBondContact O-N 3.19Å; L255-G259 PolarHBondContact O-N 2.86Å; L255-L311 HydrophobicContact CB-CD1 4.22Å; L255-L311 HydrophobicContact CB-CD2 4.34Å; L255-L311 HydrophobicContact CB-CG 4.31Å; L255-L311 WeakPolarHBondContact O-CD2 3.43Å; L255-L311 WeakPolarHBondContact O-CG 3.3Å; L255-H344 HydrophobicContact CD1-CB 3.76Å; L255-F345 HydrophobicContact CD1-CD1 4.25Å; L255-F345 HydrophobicContact CD1-CD2 4.07Å; L255-F345 HydrophobicContact CD1-CE1 4.02Å; L255-F345 HydrophobicContact CD1-CE2 3.82Å; L255-F345 HydrophobicContact CD1-CG 4.29Å; L255-F345 HydrophobicContact CD1-CZ 3.81Å
256A98.3Very high98.5Very high12 Ų1228.5 Ų28.510%0.09916%0.156CC..Hα-helixtrans-62.2-42.2173.500000111.8L252 S253 G259 A260 M312 V315L252-A256 WeakPolarHBondContact O-CB 3.29Å; L252-A256 PolarHBondContact O-N 2.6Å; S253-A256 PolarHBondContact O-N 2.93Å; A256-G259 WeakPolarHBondContact O-CA 3.42Å; A256-G259 PolarHBondContact O-N 3.35Å; A256-G259 VanDerWaalsContact O-N 3.11Å; A256-A260 PolarHBondContact O-N 3.39Å; A256-M312 WeakPolarHBondContact O-CG 3.4Å; A256-V315 HydrophobicContact CB-CB 3.9Å; A256-V315 HydrophobicContact CB-CG1 4.47Å; A256-V315 HydrophobicContact CB-CG2 4.18Å
257S98.7Very high98.5Very high52 Ų5223.7 Ų23.736%0.36414%0.139SC..Hα-helixtrans-56.8-49172179.60000111.6D182 S253 L255 G259 A260 S261D182-S257 PolarHBondContact OD1-OG 3.5Å; D182-S257 VanDerWaalsContact OD1-OG 3.06Å; S253-S257 PolarHBondContact O-N 3.29Å; L255-S257 VanDerWaalsContact C-N 3.35Å; S257-G259 PolarHBondContact O-N 2.93Å; S257-A260 WeakPolarHBondContact O-CA 3.4Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 2.93Å; S257-S261 PolarHBondContact O-N 3.39Å; S257-S261 PolarHBondContact O-OG 3.17Å
258L98.5Very high98.5Very high3 Ų324.4 Ų24.42%0.01614%0.142CC..Hα-helixtrans-57.8-38174.9176.864.7000112.2L135 L179 D182 V254 L255 A260 S261 V262 I349 L350L135-L258 HydrophobicContact CD1-CD1 4.06Å; L135-L258 HydrophobicContact CD2-CD1 4.42Å; L179-L258 HydrophobicContact CD2-CD1 3.88Å; D182-L258 HydrophobicContact CB-CB 4.28Å; D182-L258 HydrophobicContact CB-CD1 3.84Å; D182-L258 PolarHBondContact OD1-N 3.31Å; D182-L258 WeakPolarHBondContact OD2-CA 3.22Å; V254-L258 PolarHBondContact O-N 2.78Å; L255-L258 WeakPolarHBondContact O-CB 3.04Å; L255-L258 PolarHBondContact O-N 3.19Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.44Å; L258-S261 PolarHBondContact O-N 3.31Å; L258-V262 HydrophobicContact CD1-CG2 4.2Å; L258-V262 HydrophobicContact CG-CG2 4.5Å; L258-V262 WeakPolarHBondContact O-CG2 2.96Å; L258-V262 PolarHBondContact O-N 3.4Å; L258-I349 HydrophobicContact CD2-CD1 4.32Å; L258-I349 HydrophobicContact CG-CD1 4.12Å; L258-L350 HydrophobicContact CD1-CD2 4.27Å; L258-L350 HydrophobicContact CD2-CD1 4.27Å; L258-L350 HydrophobicContact CD2-CD2 4.48Å
259G98.1Very high98.5Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-57.3-44.9171.300000112.3L255 A256 S257 V262 H263 A308L255-G259 PolarHBondContact O-N 2.86Å; A256-G259 WeakPolarHBondContact O-CA 3.42Å; A256-G259 PolarHBondContact O-N 3.35Å; A256-G259 VanDerWaalsContact O-N 3.11Å; S257-G259 PolarHBondContact O-N 2.93Å; G259-V262 PolarHBondContact O-N 2.91Å; G259-H263 VanDerWaalsContact O-CB 3.26Å; G259-H263 WeakPolarHBondContact O-CB 3.1Å; G259-H263 PolarHBondContact O-N 3.08Å; G259-A308 WeakPolarHBondContact O-CB 3.38Å
260A98.8Very high98.5Very high46 Ų4628.4 Ų28.438%0.3816%0.157SC..Hα-helixtrans-61.9-46.7176.600000111.9A256 S257 L258 H263 K264 M312A256-A260 PolarHBondContact O-N 3.39Å; S257-A260 WeakPolarHBondContact O-CA 3.4Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 2.93Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.44Å; A260-H263 PolarHBondContact O-N 3.04Å; A260-K264 PolarHBondContact O-N 3.13Å; A260-M312 VanDerWaalsContact CA-SD 3.56Å; A260-M312 HydrophobicContact CB-CG 4.47Å; A260-M312 HydrophobicContact CB-SD 3.73Å
261S98.8Very high98.5Very high10 Ų1028 Ų287%0.0716%0.156CC..Hα-helixtrans-55.8-53.8176.2-54.10000111.2D182 S257 L258 H263 K264 I265D182-S261 WeakPolarHBondContact OD2-CB 3.1Å; D182-S261 PolarHBondContact OD2-OG 3.35Å; S257-S261 PolarHBondContact O-N 3.39Å; S257-S261 PolarHBondContact O-OG 3.17Å; L258-S261 PolarHBondContact O-N 3.31Å; S261-H263 PolarHBondContact O-N 2.84Å; S261-K264 PolarHBondContact O-N 2.93Å; S261-I265 WeakPolarHBondContact O-CD1 3.43Å; S261-I265 WeakPolarHBondContact O-CG1 3.12Å; S261-I265 PolarHBondContact O-N 3.29Å
262V98.6Very high98.5Very high8 Ų828.3 Ų28.35%0.04816%0.158CC..Hα-helixtrans-63.1-41.9-180174.10000111.7L179 L258 G259 K264 I265 C266 C304 A308 I349 L350L179-V262 HydrophobicContact CD2-CG2 4.4Å; L258-V262 HydrophobicContact CD1-CG2 4.2Å; L258-V262 HydrophobicContact CG-CG2 4.5Å; L258-V262 WeakPolarHBondContact O-CG2 2.96Å; L258-V262 PolarHBondContact O-N 3.4Å; G259-V262 PolarHBondContact O-N 2.91Å; V262-K264 VanDerWaalsContact C-N 3.31Å; V262-K264 PolarHBondContact O-N 3.1Å; V262-I265 PolarHBondContact O-N 3Å; V262-C266 WeakPolarHBondContact O-CB 3.37Å; V262-C266 PolarHBondContact O-N 3.24Å; V262-C304 HydrophobicContact CG1-CB 3.98Å; V262-A308 HydrophobicContact CB-CB 4.43Å; V262-A308 HydrophobicContact CG1-CB 4.42Å; V262-I349 HydrophobicContact CB-CD1 4.28Å; V262-I349 HydrophobicContact CG1-CB 4.17Å; V262-I349 HydrophobicContact CG2-CD1 3.99Å; V262-I349 HydrophobicContact CG2-CG1 4.32Å; V262-L350 HydrophobicContact CG2-CD2 4.27Å
263H98.6Very high98.4Very high39 Ų3929.4 Ų29.418%0.18117%0.167CC..Hα-helixtrans-60.7-42.8179.4-169.5-62.5000111.2G259 A260 S261 T267 C305 A308 R309 M312G259-H263 VanDerWaalsContact O-CB 3.26Å; G259-H263 WeakPolarHBondContact O-CB 3.1Å; G259-H263 PolarHBondContact O-N 3.08Å; A260-H263 PolarHBondContact O-N 3.04Å; S261-H263 PolarHBondContact O-N 2.84Å; H263-T267 PolarHBondContact ND1-OG1 3.32Å; H263-T267 VanDerWaalsContact O-CB 3.3Å; H263-T267 WeakPolarHBondContact O-CB 3.16Å; H263-T267 PolarHBondContact O-N 3.37Å; H263-T267 PolarHBondContact O-OG1 3.12Å; H263-C305 PolarHBondContact CD2-O 3.06Å; H263-A308 HydrophobicContact CB-CB 4.06Å; H263-R309 PolarHBondContact NE2-NH2 3.25Å; H263-R309 VanDerWaalsContact NE2-NH2 3.15Å; H263-M312 HydrophobicContact CB-CE 4.13Å
264K98.8Very high98.4Very high82 Ų8233 Ų3336%0.35718%0.183SC..Hα-helixtrans-64.6-48.6177.6-178.4-95.2-173.7-75.10111.6A260 S261 V262 C266 T267 D268A260-K264 PolarHBondContact O-N 3.13Å; S261-K264 PolarHBondContact O-N 2.93Å; V262-K264 VanDerWaalsContact C-N 3.31Å; V262-K264 PolarHBondContact O-N 3.1Å; K264-C266 PolarHBondContact O-N 3.36Å; K264-T267 PolarHBondContact O-N 3.14Å; K264-D268 IonicContact NZ-OD1 2.93Å; K264-D268 PolarHBondContact NZ-OD1 2.91Å; K264-D268 IonicContact NZ-OD2 2.66Å; K264-D268 PolarHBondContact NZ-OD2 3.07Å; K264-D268 PolarHBondContact O-N 3.47Å
265I98.7Very high98.3Very high12 Ų1235.6 Ų35.66%0.06220%0.196CC..Hα-helixtrans-58.6-51.3179.9-64.3166.1000110.7W175 L179 S261 V262 T267 D268 I269W175-I265 HydrophobicContact CB-CD1 3.74Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.22Å; W175-I265 HydrophobicContact CD2-CG2 3.96Å; W175-I265 HydrophobicContact CE3-CG2 4.18Å; W175-I265 HydrophobicContact CG-CB 4.31Å; W175-I265 HydrophobicContact CG-CD1 4.39Å; W175-I265 HydrophobicContact CG-CG1 3.72Å; W175-I265 HydrophobicContact CG-CG2 3.97Å; L179-I265 HydrophobicContact CD1-CD1 3.9Å; L179-I265 HydrophobicContact CD2-CD1 4.04Å; L179-I265 HydrophobicContact CG-CD1 3.81Å; S261-I265 WeakPolarHBondContact O-CD1 3.43Å; S261-I265 WeakPolarHBondContact O-CG1 3.12Å; S261-I265 PolarHBondContact O-N 3.29Å; V262-I265 PolarHBondContact O-N 3Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.29Å; I265-D268 WeakPolarHBondContact O-CB 3.46Å; I265-D268 PolarHBondContact O-N 2.94Å; I265-I269 HydrophobicContact CG2-CD1 4.07Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 3.17Å; I265-I269 VanDerWaalsContact O-N 3.08Å
266C98.4Very high98.3Very high13 Ų1344.1 Ų44.19%0.08823%0.233CC..Hα-helixtrans-68.5-25.3-179.7-69.40000112.8V262 K264 R270 S301 C304 C305V262-C266 WeakPolarHBondContact O-CB 3.37Å; V262-C266 PolarHBondContact O-N 3.24Å; K264-C266 PolarHBondContact O-N 3.36Å; C266-R270 VanDerWaalsContact O-CD 3.27Å; C266-R270 WeakPolarHBondContact O-CD 3.03Å; C266-R270 WeakPolarHBondContact O-CG 3.44Å; C266-R270 PolarHBondContact O-N 3.38Å; C266-R270 VanDerWaalsContact O-N 3.08Å; C266-S301 WeakPolarHBondContact CB-O 3.27Å; C266-C304 HydrophobicContact CB-CB 4.24Å; C266-C304 WeakPolarHBondContact SG-CB 3.33Å; C266-C305 WeakPolarHBondContact CB-SG 3.43Å
267T98.8Very high98.2Very high39 Ų3948.1 Ų48.124%0.23925%0.25CC..Hα-helixtrans-69.2-43.9171.8-61.80000111.2H263 K264 I265 I269 R270 L271H263-T267 PolarHBondContact ND1-OG1 3.32Å; H263-T267 VanDerWaalsContact O-CB 3.3Å; H263-T267 WeakPolarHBondContact O-CB 3.16Å; H263-T267 PolarHBondContact O-N 3.37Å; H263-T267 PolarHBondContact O-OG1 3.12Å; K264-T267 PolarHBondContact O-N 3.14Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.29Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 2.96Å; T267-R270 PolarHBondContact O-N 3.37Å; T267-L271 WeakPolarHBondContact O-CG 3.06Å; T267-L271 PolarHBondContact O-N 3.2Å
268D98.7Very high98.1Very high32 Ų3247.5 Ų47.517%0.17124%0.242CC..Hα-helixtrans-58.2-45173.8-71.81.8000111.2W175 K264 I265 R270 L271 L272W175-D268 HydrophobicContact CZ2-CB 3.86Å; W175-D268 PolarHBondContact NE1-OD2 2.84Å; K264-D268 IonicContact NZ-OD1 2.93Å; K264-D268 PolarHBondContact NZ-OD1 2.91Å; K264-D268 IonicContact NZ-OD2 2.66Å; K264-D268 PolarHBondContact NZ-OD2 3.07Å; K264-D268 PolarHBondContact O-N 3.47Å; I265-D268 WeakPolarHBondContact O-CB 3.46Å; I265-D268 PolarHBondContact O-N 2.94Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.24Å; D268-L271 PolarHBondContact O-N 3.23Å; D268-L271 VanDerWaalsContact O-N 3.16Å; D268-L272 WeakPolarHBondContact O-CG 3.26Å; D268-L272 PolarHBondContact O-N 2.73Å
269I98.4Very high97.7Very high29 Ų2952 Ų5215%0.14926%0.263CS..Hα-helixtrans-61-40.8178.6-66.5168000111.1W175 I265 T267 L271 L272 A273W175-I269 HydrophobicContact CH2-CG1 4.12Å; W175-I269 HydrophobicContact CZ3-CG1 4.49Å; I265-I269 HydrophobicContact CG2-CD1 4.07Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 3.17Å; I265-I269 VanDerWaalsContact O-N 3.08Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 2.96Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 3.14Å; I269-L272 PolarHBondContact O-N 3.02Å; I269-A273 WeakPolarHBondContact O-CB 3.11Å; I269-A273 PolarHBondContact O-N 3.41Å
270R98.3Very high97.4Very high86 Ų8653.1 Ų53.133%0.32527%0.268SS..Hα-helixtrans-63.1-38.2176.1-71.8160.862.1-141.6-4.4112.3C266 T267 D268 N274 P298 E302C266-R270 VanDerWaalsContact O-CD 3.27Å; C266-R270 WeakPolarHBondContact O-CD 3.03Å; C266-R270 WeakPolarHBondContact O-CG 3.44Å; C266-R270 PolarHBondContact O-N 3.38Å; C266-R270 VanDerWaalsContact O-N 3.08Å; T267-R270 PolarHBondContact O-N 3.37Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.24Å; R270-N274 PolarHBondContact O-N 3.37Å; R270-P298 HydrophobicContact CB-CG 4.25Å; R270-P298 HydrophobicContact CG-CB 3.98Å; R270-P298 HydrophobicContact CG-CG 3.78Å; R270-E302 HydrophobicContact CG-CG 4.3Å
271L98.6Very high96.9Very high66 Ų6655.5 Ų55.535%0.34628%0.279SS..Hα-helixtrans-68.7-43.3174.8-65.6173.3000111.3F160 T267 D268 I269 A273 N274 L275F160-L271 HydrophobicContact CE1-CD2 4.13Å; F160-L271 HydrophobicContact CE2-CB 4.27Å; F160-L271 HydrophobicContact CE2-CD1 4.37Å; F160-L271 HydrophobicContact CZ-CB 4.18Å; F160-L271 HydrophobicContact CZ-CD2 4.07Å; F160-L271 HydrophobicContact CZ-CG 4.49Å; T267-L271 WeakPolarHBondContact O-CG 3.06Å; T267-L271 PolarHBondContact O-N 3.2Å; D268-L271 PolarHBondContact O-N 3.23Å; D268-L271 VanDerWaalsContact O-N 3.16Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 3.14Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 3.35Å; L271-N274 WeakPolarHBondContact O-CB 3.45Å; L271-N274 PolarHBondContact O-N 2.99Å; L271-N274 VanDerWaalsContact O-N 3.11Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 2.93Å
272L98.3Very high96Very high9 Ų958 Ų585%0.04729%0.289CS..Hα-helixtrans-64.9-32.2177.1-67.3168.9000112.7W175 D268 I269 L275 K276 E277 M278W175-L272 HydrophobicContact CH2-CD1 4.23Å; W175-L272 HydrophobicContact CZ2-CD1 4.32Å; D268-L272 WeakPolarHBondContact O-CG 3.26Å; D268-L272 PolarHBondContact O-N 2.73Å; I269-L272 PolarHBondContact O-N 3.02Å; L272-L275 HydrophobicContact CD2-CD1 4.48Å; L272-L275 CarbonylContact O-C 3.57Å; L272-L275 PolarHBondContact O-N 2.82Å; L272-K276 PolarHBondContact O-N 3.32Å; L272-E277 HydrophobicContact CD2-CB 4.33Å; L272-E277 PolarHBondContact O-N 3.42Å; L272-M278 CarbonylContact C-O 3.07Å; L272-M278 HydrophobicContact CB-CB 3.87Å; L272-M278 HydrophobicContact CD1-CB 4.38Å; L272-M278 HydrophobicContact CD1-CE 4.1Å; L272-M278 HydrophobicContact CD1-SD 4.18Å; L272-M278 PolarHBondContact O-N 3.32Å
273A96.6Very high95.1Very high23 Ų2363.4 Ų63.419%0.1931%0.314CS..Hα-helixtrans-65.2-39.2171.900000111.9I269 L271 L275 K276 M278 P298I269-A273 WeakPolarHBondContact O-CB 3.11Å; I269-A273 PolarHBondContact O-N 3.41Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 3.35Å; A273-L275 VanDerWaalsContact C-N 3.33Å; A273-K276 PolarHBondContact O-N 3.03Å; A273-K276 VanDerWaalsContact O-N 3.16Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.04Å; A273-P298 HydrophobicContact CB-CB 4.28Å; A273-P298 HydrophobicContact CB-CG 4.34Å
274N97.6Very high94Very high122 Ų12272 Ų7265%0.65235%0.351SS*.Hα-helixtrans-63-40.2172.6174.1-100.7000112.1R270 L271 K276R270-N274 PolarHBondContact O-N 3.37Å; L271-N274 WeakPolarHBondContact O-CB 3.45Å; L271-N274 PolarHBondContact O-N 2.99Å; L271-N274 VanDerWaalsContact O-N 3.11Å; N274-K276 PolarHBondContact O-N 3.28Å
275L97.4Very high93.1Very high63 Ų6376.3 Ų76.333%0.3337%0.372SS..THydrogen-bonded Turntrans-73.1-8.7175.7-63.3175.7000113.7F157 F160 L271 L272 A273 E277F157-L275 HydrophobicContact CE2-CD1 3.72Å; F157-L275 HydrophobicContact CZ-CD1 3.69Å; F160-L275 HydrophobicContact CE2-CD1 4.04Å; F160-L275 HydrophobicContact CZ-CD1 4.22Å; F160-L275 HydrophobicContact CZ-CD2 4.45Å; F160-L275 HydrophobicContact CZ-CG 4.41Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 2.93Å; L272-L275 HydrophobicContact CD2-CD1 4.48Å; L272-L275 CarbonylContact O-C 3.57Å; L272-L275 PolarHBondContact O-N 2.82Å; A273-L275 VanDerWaalsContact C-N 3.33Å; L275-E277 HydrophobicContact CB-CG 4.02Å; L275-E277 PolarHBondContact O-N 3Å
276K96.9Very high92.1Very high181 Ų18177.2 Ų77.279%0.78738%0.376SS*.THydrogen-bonded Turntrans59.626.2-174.9-50.4178.8-178.1176.60113.6L272 A273 N274L272-K276 PolarHBondContact O-N 3.32Å; A273-K276 PolarHBondContact O-N 3.03Å; A273-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 PolarHBondContact O-N 3.28Å
277E96.8Very high90.5Very high96 Ų9683.2 Ų83.245%0.44941%0.406SS..SBendtrans-90.9-25.7176.5-66.1-171.8-176.500112.2T154 L272 L275T154-E277 PolarHBondContact OG1-OE2 3.3Å; T154-E277 VanDerWaalsContact OG1-OE2 3.08Å; L272-E277 HydrophobicContact CD2-CB 4.33Å; L272-E277 PolarHBondContact O-N 3.42Å; L275-E277 HydrophobicContact CB-CG 4.02Å; L275-E277 PolarHBondContact O-N 3Å
278M96Very high88.9Confident39 Ų3982.1 Ų82.119%0.19240%0.402CS..  trans-152.6133.4-179.8-171.8-178.7-64.600110.1F145 V168 W175 L272 A273F145-M278 HydrophobicContact CE1-CE 3.98Å; F145-M278 HydrophobicContact CZ-CE 3.73Å; V168-M278 HydrophobicContact CG1-CE 4.03Å; W175-M278 HydrophobicContact CH2-CE 4.31Å; W175-M278 HydrophobicContact CH2-SD 4.24Å; L272-M278 CarbonylContact C-O 3.07Å; L272-M278 HydrophobicContact CB-CB 3.87Å; L272-M278 HydrophobicContact CD1-CB 4.38Å; L272-M278 HydrophobicContact CD1-CE 4.1Å; L272-M278 HydrophobicContact CD1-SD 4.18Å; L272-M278 PolarHBondContact O-N 3.32Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.04Å
279E91.7Very high87.4Confident98 Ų9881.9 Ų81.946%0.45840%0.403SS..  trans-117.5150.8173.1-63.4-170.6155.100110.2R296E279-R296 WeakPolarHBondContact OE2-CD 3.46Å; E279-R296 IonicContact OE2-CZ 3.9Å; E279-R296 IonicContact OE2-NH1 2.9Å; E279-R296 PolarHBondContact OE2-NH1 3.36Å
280E91.1Very high86.1Confident22 Ų2286.7 Ų86.710%0.10344%0.439CS..  trans-70.9155.616966.4179.4-147.200111.1F282 P298 M299 R300 S301E280-F282 PolarHBondContact O-N 2.93Å; E280-P298 VanDerWaalsContact CD-C 3.41Å; E280-P298 VanDerWaalsContact OE2-CA 3.32Å; E280-P298 WeakPolarHBondContact OE2-CA 3.5Å; E280-M299 PolarHBondContact OE1-N 3.49Å; E280-R300 WeakPolarHBondContact OE1-CG 3.14Å; E280-R300 PolarHBondContact OE1-N 3.39Å; E280-R300 WeakPolarHBondContact OE2-CB 3.23Å; E280-R300 PolarHBondContact OE2-N 3.48Å; E280-S301 PolarHBondContact OE2-N 3.41Å; E280-S301 PolarHBondContact OE2-OG 3.25Å
281P87.8Confident84.3Confident96 Ų9686.4 Ų86.462%0.62346%0.455SS*.  trans-56.7133.4176.9-24.233.4000112
282F80.8Confident82.7Confident64 Ų6486.2 Ų86.228%0.28145%0.453SS..  trans-116.6123.8-177.2-162.7-95.8000110.3E280 Q286 R296E280-F282 PolarHBondContact O-N 2.93Å; F282-Q286 HydrophobicContact CD1-CB 4.01Å; F282-Q286 HydrophobicContact CD2-CB 4.29Å; F282-Q286 HydrophobicContact CD2-CG 4.01Å; F282-Q286 HydrophobicContact CE1-CB 3.69Å; F282-Q286 HydrophobicContact CE1-CG 4.24Å; F282-Q286 WeakPolarHBondContact CE1-O 3.45Å; F282-Q286 HydrophobicContact CE2-CB 3.98Å; F282-Q286 HydrophobicContact CE2-CG 3.58Å; F282-Q286 HydrophobicContact CG-CB 4.31Å; F282-Q286 HydrophobicContact CZ-CB 3.68Å; F282-Q286 HydrophobicContact CZ-CG 3.72Å; F282-Q286 WeakPolarHBondContact CZ-O 3.39Å; F282-R296 HydrophobicContact CD2-CG 4.11Å; F282-R296 HydrophobicContact CE2-CB 4.48Å; F282-R296 HydrophobicContact CE2-CG 3.98Å; F282-R296 HydrophobicContact CZ-CG 4.35Å
283E78.6Confident81.4Confident121 Ų12192 Ų9257%0.56549%0.492SS*.  trans-71.9151.4-178.8-59.8174.1-173.100111.3Q285 Q286 R300E283-Q285 PolarHBondContact O-N 3.03Å; E283-Q286 HydrophobicContact CB-CB 4.01Å; E283-Q286 WeakPolarHBondContact O-CB 3.32Å; E283-Q286 PolarHBondContact O-N 3.11Å; E283-R300 IonicContact OE1-NH2 3.44Å; E283-R300 PolarHBondContact OE1-NH2 3.05Å
284K75.9Confident80.4Confident219 Ų21999.6 Ų99.695%0.95252%0.517SS*.THydrogen-bonded Turntrans-54.8-29.9-176.4-171.1176.7179.6179.70113.7
285Q79.1Confident79.6Confident173 Ų17397.9 Ų97.981%0.80850%0.503SS*.THydrogen-bonded Turntrans-109.75.8-179.5-65.6177.6-21.700113.1E283 I287E283-Q285 PolarHBondContact O-N 3.03Å; Q285-I287 PolarHBondContact O-N 3.26Å
286Q78.6Confident79Confident31 Ų31101.4 Ų101.415%0.14551%0.512CS..  trans-67.1129.5-178.1-174.8173.4-22.300109.7F282 E283 M299F282-Q286 HydrophobicContact CD1-CB 4.01Å; F282-Q286 HydrophobicContact CD2-CB 4.29Å; F282-Q286 HydrophobicContact CD2-CG 4.01Å; F282-Q286 HydrophobicContact CE1-CB 3.69Å; F282-Q286 HydrophobicContact CE1-CG 4.24Å; F282-Q286 WeakPolarHBondContact CE1-O 3.45Å; F282-Q286 HydrophobicContact CE2-CB 3.98Å; F282-Q286 HydrophobicContact CE2-CG 3.58Å; F282-Q286 HydrophobicContact CG-CB 4.31Å; F282-Q286 HydrophobicContact CZ-CB 3.68Å; F282-Q286 HydrophobicContact CZ-CG 3.72Å; F282-Q286 WeakPolarHBondContact CZ-O 3.39Å; E283-Q286 HydrophobicContact CB-CB 4.01Å; E283-Q286 WeakPolarHBondContact O-CB 3.32Å; E283-Q286 PolarHBondContact O-N 3.11Å; Q286-M299 PolarHBondContact NE2-SD 3.08Å
287I64.7Low78.7Confident139 Ų13995.2 Ų95.271%0.71349%0.488SS*.  trans-98.9113.6172.6-62.7176.1000107Q285 S289Q285-I287 PolarHBondContact O-N 3.26Å; I287-S289 VanDerWaalsContact CG2-O 3.27Å; I287-S289 WeakPolarHBondContact CG2-O 3.41Å
288G64.1Low78.5Confident16 Ų1691.5 Ų91.517%0.16547%0.472CS..SBendtrans-77.9-27.1-176.800000113.8K295 N297G288-K295 CarbonylContact C-O 3.58Å; G288-K295 WeakPolarHBondContact CA-O 3.24Å; G288-N297 PolarHBondContact O-ND2 2.87Å
289S68.3Low78.3Confident27 Ų2793.7 Ų93.719%0.18948%0.483CS..  trans-150.9141.4175.5177.50000110I287 A291 M292I287-S289 VanDerWaalsContact CG2-O 3.27Å; I287-S289 WeakPolarHBondContact CG2-O 3.41Å; S289-A291 PolarHBondContact O-N 3.46Å; S289-A291 PolarHBondContact OG-N 3.4Å; S289-M292 PolarHBondContact OG-N 2.9Å
290S70.6Confident78.4Confident130 Ų13092.5 Ų92.591%0.90947%0.474SS*.SBendtrans-65.5-16.2174.350.90000113.9
291A61.6Low78.6Confident80 Ų8091.8 Ų91.866%0.66147%0.472SS*.SBendtrans-119.9-19.8-17400000114.3S289S289-A291 PolarHBondContact O-N 3.46Å; S289-A291 PolarHBondContact OG-N 3.4Å
292M64.1Low79Confident61 Ų6191.4 Ų91.430%0.346%0.462SS..  trans-131.1102.2-173-71.4177.4-80.300111.2S289 Y294 K295S289-M292 PolarHBondContact OG-N 2.9Å; M292-Y294 HydrophobicContact CB-CE1 4.34Å; M292-Y294 HydrophobicContact CG-CE1 4.46Å; M292-Y294 PolarHBondContact O-N 3.21Å; M292-Y294 HydrophobicContact SD-CE2 4.45Å; M292-K295 HydrophobicContact CB-CB 3.78Å; M292-K295 HydrophobicContact CE-CD 3.49Å; M292-K295 VanDerWaalsContact CE-CD 3.49Å; M292-K295 PolarHBondContact O-N 3.15Å; M292-K295 VanDerWaalsContact O-N 3.14Å; M292-K295 HydrophobicContact SD-CD 4.24Å
293P71.2Confident79.8Confident131 Ų13192.8 Ų92.885%0.85147%0.465SS*.THydrogen-bonded Turntrans-67.1-21.3-173.924.2-32.6000114
294Y74.8Confident80.6Confident182 Ų18287.9 Ų87.971%0.71444%0.444SS*.THydrogen-bonded Turntrans-87.8-10.8177.158.9-98.1000113.9M292 R296M292-Y294 HydrophobicContact CB-CE1 4.34Å; M292-Y294 HydrophobicContact CG-CE1 4.46Å; M292-Y294 PolarHBondContact O-N 3.21Å; M292-Y294 HydrophobicContact SD-CE2 4.45Å; Y294-R296 PolarHBondContact O-N 3.04Å
295K80.8Confident81.7Confident86 Ų8677.5 Ų77.537%0.37440%0.399SS..  trans-83.2117.1-173.1-176.3172.7179.5174.80110.8G288 M292 N297G288-K295 CarbonylContact C-O 3.58Å; G288-K295 WeakPolarHBondContact CA-O 3.24Å; M292-K295 HydrophobicContact CB-CB 3.78Å; M292-K295 HydrophobicContact CE-CD 3.49Å; M292-K295 VanDerWaalsContact CE-CD 3.49Å; M292-K295 PolarHBondContact O-N 3.15Å; M292-K295 VanDerWaalsContact O-N 3.14Å; M292-K295 HydrophobicContact SD-CD 4.24Å; K295-N297 WeakPolarHBondContact CE-OD1 3.32Å
296R85.1Confident82.6Confident137 Ų13772.6 Ų72.652%0.51738%0.383SS..  trans-105129.1170.4-65.8-177.4175.8175.7-0.4110E279 F282 Y294E279-R296 WeakPolarHBondContact OE2-CD 3.46Å; E279-R296 IonicContact OE2-CZ 3.9Å; E279-R296 IonicContact OE2-NH1 2.9Å; E279-R296 PolarHBondContact OE2-NH1 3.36Å; F282-R296 HydrophobicContact CD2-CG 4.11Å; F282-R296 HydrophobicContact CE2-CB 4.48Å; F282-R296 HydrophobicContact CE2-CG 3.98Å; F282-R296 HydrophobicContact CZ-CG 4.35Å; Y294-R296 PolarHBondContact O-N 3.04Å
297N90.2Very high83.4Confident51 Ų5171.9 Ų71.927%0.27338%0.381SS..  trans-112.7143178.9-63.1-50.3000109.5G288 K295 M299G288-N297 PolarHBondContact O-ND2 2.87Å; K295-N297 WeakPolarHBondContact CE-OD1 3.32Å; N297-M299 PolarHBondContact O-N 3.36Å
298P93.4Very high85Confident19 Ų1965.3 Ų65.312%0.12335%0.347CS..  trans-76.753.1175.934.3-37.2000111.8R270 A273 E280 R300 S301 E302R270-P298 HydrophobicContact CB-CG 4.25Å; R270-P298 HydrophobicContact CG-CB 3.98Å; R270-P298 HydrophobicContact CG-CG 3.78Å; A273-P298 HydrophobicContact CB-CB 4.28Å; A273-P298 HydrophobicContact CB-CG 4.34Å; E280-P298 VanDerWaalsContact CD-C 3.41Å; E280-P298 VanDerWaalsContact OE2-CA 3.32Å; E280-P298 WeakPolarHBondContact OE2-CA 3.5Å; P298-R300 VanDerWaalsContact C-N 3.32Å; P298-R300 PolarHBondContact O-N 2.94Å; P298-S301 WeakPolarHBondContact O-CB 3.46Å; P298-S301 PolarHBondContact O-N 3.03Å; P298-S301 VanDerWaalsContact O-N 3.17Å; P298-E302 WeakPolarHBondContact O-CG 3.16Å; P298-E302 PolarHBondContact O-N 2.94Å
299M92.9Very high86.6Confident85 Ų8570.6 Ų70.642%0.41936%0.362SS..Hα-helixtrans-66.2-29-169.551.4173.4-77.900113.5E280 Q286 N297 E302 R303E280-M299 PolarHBondContact OE1-N 3.49Å; Q286-M299 PolarHBondContact NE2-SD 3.08Å; N297-M299 PolarHBondContact O-N 3.36Å; M299-E302 WeakPolarHBondContact CA-OE2 3.29Å; M299-R303 WeakPolarHBondContact O-CB 3.45Å; M299-R303 PolarHBondContact O-N 3.07Å
300R92.4Very high87.9Confident72 Ų7272.6 Ų72.627%0.27237%0.368SS..Hα-helixtrans-70.2-44.7174.1-59.8171.7-178.5-158.7-5.9109.8E280 E283 P298 R303 C304E280-R300 WeakPolarHBondContact OE1-CG 3.14Å; E280-R300 PolarHBondContact OE1-N 3.39Å; E280-R300 WeakPolarHBondContact OE2-CB 3.23Å; E280-R300 PolarHBondContact OE2-N 3.48Å; E283-R300 IonicContact OE1-NH2 3.44Å; E283-R300 PolarHBondContact OE1-NH2 3.05Å; P298-R300 VanDerWaalsContact C-N 3.32Å; P298-R300 PolarHBondContact O-N 2.94Å; R300-R303 PolarHBondContact O-N 3.12Å; R300-C304 PolarHBondContact O-N 3.16Å; R300-C304 PolarHBondContact O-SG 3.01Å
301S95.8Very high89Confident8 Ų866.5 Ų66.56%0.05633%0.325CS..Hα-helixtrans-63.6-41.8176.6-54.60000111.8C266 E280 P298 R303 C304 C305C266-S301 WeakPolarHBondContact CB-O 3.27Å; E280-S301 PolarHBondContact OE2-N 3.41Å; E280-S301 PolarHBondContact OE2-OG 3.25Å; P298-S301 WeakPolarHBondContact O-CB 3.46Å; P298-S301 PolarHBondContact O-N 3.03Å; P298-S301 VanDerWaalsContact O-N 3.17Å; S301-R303 PolarHBondContact O-N 3.28Å; S301-C304 PolarHBondContact O-N 3.08Å; S301-C305 PolarHBondContact O-N 3.17Å; S301-C305 PolarHBondContact O-SG 2.93Å
302E96.9Very high90.8Very high88 Ų8865.7 Ų65.741%0.41131%0.309SS..Hα-helixtrans-61-43.2174.5-72.7174.2145.400112.3R270 P298 M299 C305 S306R270-E302 HydrophobicContact CG-CG 4.3Å; P298-E302 WeakPolarHBondContact O-CG 3.16Å; P298-E302 PolarHBondContact O-N 2.94Å; M299-E302 WeakPolarHBondContact CA-OE2 3.29Å; E302-C305 PolarHBondContact O-N 3.24Å; E302-S306 WeakPolarHBondContact O-CB 3.39Å; E302-S306 PolarHBondContact O-N 3.43Å
303R95.9Very high92.4Very high93 Ų9367.1 Ų67.135%0.35132%0.321SS..Hα-helixtrans-63.1-42.5174.3178.7173.558.2-176-1.2111.8Y21 M299 R300 S301 S306 L307Y21-R303 HydrophobicContact CE1-CG 4.39Å; M299-R303 WeakPolarHBondContact O-CB 3.45Å; M299-R303 PolarHBondContact O-N 3.07Å; R300-R303 PolarHBondContact O-N 3.12Å; S301-R303 PolarHBondContact O-N 3.28Å; R303-S306 WeakPolarHBondContact O-CB 3.19Å; R303-S306 PolarHBondContact O-N 3.09Å; R303-L307 HydrophobicContact CG-CD1 4.1Å; R303-L307 HydrophobicContact CG-CG 4.45Å; R303-L307 PolarHBondContact O-N 2.84Å
304C96.8Very high93.5Very high17 Ų1761.5 Ų61.512%0.11528%0.284CS..Hα-helixtrans-59.8-48175.9-66.70000111V262 C266 R300 S301 S306 L307 A308V262-C304 HydrophobicContact CG1-CB 3.98Å; C266-C304 HydrophobicContact CB-CB 4.24Å; C266-C304 WeakPolarHBondContact SG-CB 3.33Å; R300-C304 PolarHBondContact O-N 3.16Å; R300-C304 PolarHBondContact O-SG 3.01Å; S301-C304 PolarHBondContact O-N 3.08Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 2.97Å; C304-L307 PolarHBondContact O-N 3.41Å; C304-A308 WeakPolarHBondContact O-CB 3.41Å; C304-A308 PolarHBondContact O-N 2.97Å
305C97.8Very high94.6Very high2 Ų254 Ų541%0.01426%0.257CS..Hα-helixtrans-57.6-42.4174.1-68.10000112.3H263 C266 S301 E302 R309H263-C305 PolarHBondContact CD2-O 3.06Å; C266-C305 WeakPolarHBondContact CB-SG 3.43Å; S301-C305 PolarHBondContact O-N 3.17Å; S301-C305 PolarHBondContact O-SG 2.93Å; E302-C305 PolarHBondContact O-N 3.24Å; C305-R309 WeakPolarHBondContact O-CB 3.44Å; C305-R309 PolarHBondContact O-N 3.36Å
306S97.8Very high95.4Very high69 Ų6954.7 Ų54.748%0.48326%0.263SS..Hα-helixtrans-63-48.7-179.2-168.50000112.3E302 R303 C304 R309 H310E302-S306 WeakPolarHBondContact O-CB 3.39Å; E302-S306 PolarHBondContact O-N 3.43Å; R303-S306 WeakPolarHBondContact O-CB 3.19Å; R303-S306 PolarHBondContact O-N 3.09Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 2.97Å; S306-R309 PolarHBondContact O-N 3.21Å; S306-H310 PolarHBondContact O-N 3.35Å
307L96.4Very high96.1Very high17 Ų1750.1 Ų50.19%0.08925%0.248CC..Hα-helixtrans-68.7-41.1178.1-70.6178000112.2L17 Y21 R303 C304 R309 H310 L311 P347 I349L17-L307 HydrophobicContact CD2-CD2 4.21Å; Y21-L307 HydrophobicContact CD2-CD2 4.22Å; Y21-L307 HydrophobicContact CE2-CD2 4.44Å; Y21-L307 HydrophobicContact CG-CD1 4.41Å; R303-L307 HydrophobicContact CG-CD1 4.1Å; R303-L307 HydrophobicContact CG-CG 4.45Å; R303-L307 PolarHBondContact O-N 2.84Å; C304-L307 PolarHBondContact O-N 3.41Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.13Å; L307-H310 WeakPolarHBondContact O-CB 3.3Å; L307-H310 PolarHBondContact O-N 2.99Å; L307-H310 VanDerWaalsContact O-N 3.13Å; L307-L311 PolarHBondContact O-N 3.21Å; L307-L311 VanDerWaalsContact O-N 3.07Å; L307-P347 HydrophobicContact CB-CB 4.18Å; L307-P347 HydrophobicContact CD2-CB 4.44Å; L307-I349 HydrophobicContact CB-CG2 3.6Å; L307-I349 HydrophobicContact CD1-CG2 4.49Å
308A97.6Very high96.5Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-61.5-35.2176.900000112.4G259 V262 H263 C304 L311 M312 I349G259-A308 WeakPolarHBondContact O-CB 3.38Å; V262-A308 HydrophobicContact CB-CB 4.43Å; V262-A308 HydrophobicContact CG1-CB 4.42Å; H263-A308 HydrophobicContact CB-CB 4.06Å; C304-A308 WeakPolarHBondContact O-CB 3.41Å; C304-A308 PolarHBondContact O-N 2.97Å; A308-L311 WeakPolarHBondContact O-CB 3.37Å; A308-L311 PolarHBondContact O-N 2.89Å; A308-M312 PolarHBondContact O-N 2.99Å; A308-I349 HydrophobicContact CB-CG2 4.49Å
309R98.2Very high96.7Very high128 Ų12850.3 Ų50.348%0.48325%0.248SC..Hα-helixtrans-61.6-44.1172.8-170.6-178.3-55.8116.911.1112.1H263 C305 S306 L307 L311 M312 T313H263-R309 PolarHBondContact NE2-NH2 3.25Å; H263-R309 VanDerWaalsContact NE2-NH2 3.15Å; C305-R309 WeakPolarHBondContact O-CB 3.44Å; C305-R309 PolarHBondContact O-N 3.36Å; S306-R309 PolarHBondContact O-N 3.21Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.13Å; R309-L311 VanDerWaalsContact C-N 3.27Å; R309-L311 PolarHBondContact O-N 3.34Å; R309-M312 HydrophobicContact CB-CE 4.38Å; R309-M312 PolarHBondContact O-N 3.31Å; R309-T313 PolarHBondContact O-N 2.95Å; R309-T313 PolarHBondContact O-OG1 3.42Å; R309-T313 VanDerWaalsContact O-OG1 3.07Å
310H96.2Very high97Very high68 Ų6851.5 Ų51.532%0.31525%0.253SS..Hα-helixtrans-61.2-41.1176.1-169.548.3000111.3S306 L307 M312 T313 L314S306-H310 PolarHBondContact O-N 3.35Å; L307-H310 WeakPolarHBondContact O-CB 3.3Å; L307-H310 PolarHBondContact O-N 2.99Å; L307-H310 VanDerWaalsContact O-N 3.13Å; H310-M312 VanDerWaalsContact C-N 3.32Å; H310-M312 PolarHBondContact O-N 3.34Å; H310-T313 PolarHBondContact O-N 3.37Å; H310-T313 VanDerWaalsContact O-N 3.12Å; H310-L314 WeakPolarHBondContact O-CG 3.48Å; H310-L314 PolarHBondContact O-N 3.17Å; H310-L314 VanDerWaalsContact O-N 3.09Å
311L94.2Very high97.3Very high3 Ų348.6 Ų48.62%0.01624%0.243CC..Hα-helixtrans-61.2-39.4177.9-160.762.6000112.6L255 L307 A308 R309 H344 I349L255-L311 HydrophobicContact CB-CD1 4.22Å; L255-L311 HydrophobicContact CB-CD2 4.34Å; L255-L311 HydrophobicContact CB-CG 4.31Å; L255-L311 WeakPolarHBondContact O-CD2 3.43Å; L255-L311 WeakPolarHBondContact O-CG 3.3Å; L307-L311 PolarHBondContact O-N 3.21Å; L307-L311 VanDerWaalsContact O-N 3.07Å; A308-L311 WeakPolarHBondContact O-CB 3.37Å; A308-L311 PolarHBondContact O-N 2.89Å; R309-L311 VanDerWaalsContact C-N 3.27Å; R309-L311 PolarHBondContact O-N 3.34Å; L311-H344 VanDerWaalsContact CD1-CA 3.46Å; L311-H344 HydrophobicContact CD1-CB 3.81Å; L311-H344 WeakPolarHBondContact CD1-O 3.35Å; L311-I349 HydrophobicContact CD2-CD1 3.52Å
312M98.1Very high97.5Very high63 Ų6349.5 Ų49.531%0.3125%0.251SS..Hα-helixtrans-66.3-39.5172.7-70-175-71.900112.7A256 A260 H263 A308 R309 H310 V315A256-M312 WeakPolarHBondContact O-CG 3.4Å; A260-M312 VanDerWaalsContact CA-SD 3.56Å; A260-M312 HydrophobicContact CB-CG 4.47Å; A260-M312 HydrophobicContact CB-SD 3.73Å; H263-M312 HydrophobicContact CB-CE 4.13Å; A308-M312 PolarHBondContact O-N 2.99Å; R309-M312 HydrophobicContact CB-CE 4.38Å; R309-M312 PolarHBondContact O-N 3.31Å; H310-M312 VanDerWaalsContact C-N 3.32Å; H310-M312 PolarHBondContact O-N 3.34Å; M312-V315 VanDerWaalsContact O-CG1 3.3Å; M312-V315 WeakPolarHBondContact O-CG1 3.36Å
313T98.1Very high97.5Very high90 Ų9049.8 Ų49.855%0.55226%0.262SS*.Hα-helixtrans-67.3-39.9-177.5-59.20000112.8R309 H310 V315 M316R309-T313 PolarHBondContact O-N 2.95Å; R309-T313 PolarHBondContact O-OG1 3.42Å; R309-T313 VanDerWaalsContact O-OG1 3.07Å; H310-T313 PolarHBondContact O-N 3.37Å; H310-T313 VanDerWaalsContact O-N 3.12Å; T313-V315 PolarHBondContact O-N 2.91Å; T313-V315 VanDerWaalsContact O-N 3.16Å; T313-M316 PolarHBondContact O-N 3.34Å
314L94.6Very high97.7Very high14 Ų1448.4 Ų48.47%0.07327%0.265CS..THydrogen-bonded Turntrans-69.4-12.3-171.1-68.5169.6000113.7H310 M316 D317 P318 R343 H344H310-L314 WeakPolarHBondContact O-CG 3.48Å; H310-L314 PolarHBondContact O-N 3.17Å; H310-L314 VanDerWaalsContact O-N 3.09Å; L314-M316 PolarHBondContact O-N 2.66Å; L314-M316 VanDerWaalsContact O-N 3.08Å; L314-D317 WeakPolarHBondContact O-CB 3.46Å; L314-D317 PolarHBondContact O-N 3.03Å; L314-D317 VanDerWaalsContact O-N 3.08Å; L314-P318 WeakPolarHBondContact O-CD 3.34Å; L314-R343 HydrophobicContact CD1-CB 3.81Å; L314-H344 WeakPolarHBondContact CB-CE1 3.31Å; L314-H344 WeakPolarHBondContact CB-NE2 3.41Å; L314-H344 PolarHBondContact O-CE1 3.22Å; L314-H344 VanDerWaalsContact O-CE1 3.31Å
315V97.5Very high97.8Very high25 Ų2549.5 Ų49.515%0.15227%0.268CS..THydrogen-bonded Turntrans-58.9-23.3177.474.90000113.2A256 M312 T313 D317 P318 L319 H344A256-V315 HydrophobicContact CB-CB 3.9Å; A256-V315 HydrophobicContact CB-CG1 4.47Å; A256-V315 HydrophobicContact CB-CG2 4.18Å; M312-V315 VanDerWaalsContact O-CG1 3.3Å; M312-V315 WeakPolarHBondContact O-CG1 3.36Å; T313-V315 PolarHBondContact O-N 2.91Å; T313-V315 VanDerWaalsContact O-N 3.16Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 2.9Å; V315-P318 VanDerWaalsContact O-CD 3.23Å; V315-P318 WeakPolarHBondContact O-CD 3.41Å; V315-P318 VanDerWaalsContact O-CG 3.29Å; V315-P318 WeakPolarHBondContact O-CG 3.41Å; V315-L319 HydrophobicContact CG2-CD1 4.36Å; V315-L319 WeakPolarHBondContact O-CD1 3.4Å; V315-L319 WeakPolarHBondContact O-CG 3.44Å; V315-H344 PolarHBondContact N-NE2 3.45Å
316M98.5Very high97.8Very high100 Ų10057.7 Ų57.749%0.49330%0.299SS..Hα-helixtrans-69.1-25.5178.9-63.2-52.7-57.600112.9T313 L314 L319 Q320T313-M316 PolarHBondContact O-N 3.34Å; L314-M316 PolarHBondContact O-N 2.66Å; L314-M316 VanDerWaalsContact O-N 3.08Å; M316-L319 HydrophobicContact CE-CD1 4.39Å; M316-L319 HydrophobicContact SD-CD1 3.89Å; M316-Q320 WeakPolarHBondContact O-CB 3.05Å; M316-Q320 VanDerWaalsContact O-CG 3.3Å; M316-Q320 WeakPolarHBondContact O-CG 3.26Å; M316-Q320 PolarHBondContact O-N 3.39Å; M316-Q320 PolarHBondContact O-NE2 3.2Å
317D98.5Very high97.8Very high40 Ų4063.7 Ų63.721%0.21432%0.316CS..Hα-helixtrans-59.2-61.8177.9-82.9-32.1000111.8L314 V315 L319 Q320 T321 N336 C340L314-D317 WeakPolarHBondContact O-CB 3.46Å; L314-D317 PolarHBondContact O-N 3.03Å; L314-D317 VanDerWaalsContact O-N 3.08Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 2.9Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.16Å; D317-Q320 PolarHBondContact O-N 2.89Å; D317-T321 WeakPolarHBondContact O-CB 3.49Å; D317-T321 PolarHBondContact O-N 3.02Å; D317-T321 PolarHBondContact O-OG1 2.93Å; D317-N336 WeakPolarHBondContact CB-OD1 3.4Å; D317-N336 PolarHBondContact OD1-ND2 3.08Å; D317-C340 HydrophobicContact CB-CB 3.78Å; D317-C340 VanDerWaalsContact OD2-CB 3.27Å; D317-C340 WeakPolarHBondContact OD2-CB 3.49Å
318P98.5Very high97.9Very high4 Ų467.7 Ų67.73%0.02634%0.335CS..Hα-helixtrans-66.1-29-179.130.2-40.6000112.9D248 I249 L252 L314 V315 A322D248-P318 HydrophobicContact CB-CB 4Å; I249-P318 HydrophobicContact CG1-CB 3.9Å; I249-P318 HydrophobicContact CG1-CG 4.47Å; I249-P318 WeakPolarHBondContact CG1-O 3.43Å; L252-P318 HydrophobicContact CB-CG 3.93Å; L252-P318 HydrophobicContact CD2-CB 4.14Å; L252-P318 HydrophobicContact CD2-CG 3.54Å; L252-P318 HydrophobicContact CG-CG 4.37Å; L314-P318 WeakPolarHBondContact O-CD 3.34Å; V315-P318 VanDerWaalsContact O-CD 3.23Å; V315-P318 WeakPolarHBondContact O-CD 3.41Å; V315-P318 VanDerWaalsContact O-CG 3.29Å; V315-P318 WeakPolarHBondContact O-CG 3.41Å; P318-A322 VanDerWaalsContact O-CB 3.29Å; P318-A322 WeakPolarHBondContact O-CB 3.48Å; P318-A322 PolarHBondContact O-N 3.42Å
319L98.8Very high98Very high70 Ų7069.8 Ų69.837%0.36634%0.343SS..Hα-helixtrans-62-46174.8-75.5170.8000111.3I249 V315 M316 D317 S323I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.75Å; I249-L319 HydrophobicContact CG2-CG 4.44Å; V315-L319 HydrophobicContact CG2-CD1 4.36Å; V315-L319 WeakPolarHBondContact O-CD1 3.4Å; V315-L319 WeakPolarHBondContact O-CG 3.44Å; M316-L319 HydrophobicContact CE-CD1 4.39Å; M316-L319 HydrophobicContact SD-CD1 3.89Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.16Å; L319-S323 PolarHBondContact O-N 3.18Å; L319-S323 PolarHBondContact O-OG 2.99Å
320Q98.8Very high98Very high110 Ų11065 Ų6551%0.51433%0.327SS..Hα-helixtrans-72.4-45.5177.2-70.8169.999.500111.4M316 D317 A322 S323 V324M316-Q320 WeakPolarHBondContact O-CB 3.05Å; M316-Q320 VanDerWaalsContact O-CG 3.3Å; M316-Q320 WeakPolarHBondContact O-CG 3.26Å; M316-Q320 PolarHBondContact O-N 3.39Å; M316-Q320 PolarHBondContact O-NE2 3.2Å; D317-Q320 PolarHBondContact O-N 2.89Å; Q320-A322 PolarHBondContact O-N 2.69Å; Q320-S323 PolarHBondContact O-N 3Å; Q320-S323 PolarHBondContact O-OG 3.44Å; Q320-V324 WeakPolarHBondContact O-CG2 3.45Å; Q320-V324 PolarHBondContact O-N 3.37Å
321T98.8Very high98.1Very high12 Ų1267.6 Ų67.67%0.07434%0.343CS..Hα-helixtrans-58.7-46.2-179.6-670000111.9D317 S323 Q325 D333D317-T321 WeakPolarHBondContact O-CB 3.49Å; D317-T321 PolarHBondContact O-N 3.02Å; D317-T321 PolarHBondContact O-OG1 2.93Å; T321-S323 VanDerWaalsContact C-N 3.34Å; T321-S323 PolarHBondContact O-N 3.48Å; T321-Q325 PolarHBondContact O-N 3.32Å; T321-D333 HydrophobicContact CG2-CB 3.59Å
322A98.7Very high98.2Very high27 Ų2771.3 Ų71.322%0.22336%0.363CS..Hα-helixtrans-71.3-29.3-177.500000113R245 I249 P318 Q320 V324R245-A322 HydrophobicContact CB-CB 3.94Å; I249-A322 HydrophobicContact CD1-CB 3.65Å; I249-A322 HydrophobicContact CG1-CB 4.32Å; P318-A322 VanDerWaalsContact O-CB 3.29Å; P318-A322 WeakPolarHBondContact O-CB 3.48Å; P318-A322 PolarHBondContact O-N 3.42Å; Q320-A322 PolarHBondContact O-N 2.69Å; A322-V324 VanDerWaalsContact C-N 3.28Å; A322-V324 PolarHBondContact O-N 3.36Å
323S98.7Very high98.2Very high93 Ų9368.3 Ų68.365%0.6535%0.348SS*.Hα-helixtrans-73.1-21.7-176.970.50000113.4L319 Q320 T321L319-S323 PolarHBondContact O-N 3.18Å; L319-S323 PolarHBondContact O-OG 2.99Å; Q320-S323 PolarHBondContact O-N 3Å; Q320-S323 PolarHBondContact O-OG 3.44Å; T321-S323 VanDerWaalsContact C-N 3.34Å; T321-S323 PolarHBondContact O-N 3.48Å
324V98.7Very high98.2Very high65 Ų6565.3 Ų65.339%0.39433%0.331SS..THydrogen-bonded Turntrans-111.59.6-178.1-55.20000113.7Q320 A322 W326Q320-V324 WeakPolarHBondContact O-CG2 3.45Å; Q320-V324 PolarHBondContact O-N 3.37Å; A322-V324 VanDerWaalsContact C-N 3.28Å; A322-V324 PolarHBondContact O-N 3.36Å; V324-W326 PolarHBondContact O-N 3.07Å; V324-W326 PolarHBondContact O-NE1 3.22Å; V324-W326 VanDerWaalsContact O-NE1 3.14Å
325Q98.6Very high98.4Very high39 Ų3967.8 Ų67.818%0.18235%0.353CS..  trans-65.2119.7169.7-82.9-68.3-62.500110.1R245 T321 T330 D332R245-Q325 HydrophobicContact CG-CG 4.24Å; T321-Q325 PolarHBondContact O-N 3.32Å; Q325-T330 PolarHBondContact NE2-O 2.95Å; Q325-T330 PolarHBondContact NE2-OG1 3.15Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.1Å; Q325-T330 PolarHBondContact OE1-O 2.96Å; Q325-D332 PolarHBondContact NE2-OD1 3.21Å
326W98.4Very high98.4Very high175 Ų17568.6 Ų68.666%0.66336%0.357SS*.  trans-92.3129.2179.4-51.3-27.5000111.4V324 E328 R329 T330V324-W326 PolarHBondContact O-N 3.07Å; V324-W326 PolarHBondContact O-NE1 3.22Å; V324-W326 VanDerWaalsContact O-NE1 3.14Å; W326-E328 PolarHBondContact O-N 2.9Å; W326-R329 CarbonylContact O-C 3.56Å; W326-R329 PolarHBondContact O-N 3.48Å; W326-T330 HydrophobicContact CB-CG2 3.68Å; W326-T330 HydrophobicContact CD2-CG2 3.88Å; W326-T330 HydrophobicContact CE3-CG2 3.62Å; W326-T330 HydrophobicContact CG-CG2 3.95Å; W326-T330 HydrophobicContact CZ3-CG2 4.48Å
327F98.4Very high98.4Very high194 Ų19464.5 Ų64.585%0.85134%0.336SS*.THydrogen-bonded Turntrans49.1-126.1175.8-54.8-76.1000112.7
328E98.6Very high98.3Very high102 Ų10269 Ų6948%0.47735%0.35SS..THydrogen-bonded Turntrans-76.3-22.1-175.2-70.566.6-136.400114.4T202 Q241 W326T202-E328 HydrophobicContact CG2-CG 4.48Å; Q241-E328 PolarHBondContact N-O 3.45Å; W326-E328 PolarHBondContact O-N 2.9Å
329R98.6Very high98.2Very high44 Ų4472.8 Ų72.817%0.16637%0.369CS..  trans174.2146.1169.3176.1-176.8-169.4148.22.6111.7C113 D117 Q241 T242 W326 D333C113-R329 PolarHBondContact SG-NH1 3.27Å; D117-R329 IonicContact OD1-NH1 2.78Å; Q241-R329 HydrophobicContact CB-CB 3.74Å; T242-R329 HydrophobicContact CG2-CG 4.24Å; W326-R329 CarbonylContact O-C 3.56Å; W326-R329 PolarHBondContact O-N 3.48Å; R329-D333 IonicContact CZ-OD1 2.53Å; R329-D333 IonicContact CZ-OD2 2.82Å; R329-D333 IonicContact NE-OD1 3.48Å; R329-D333 PolarHBondContact NE-OD1 3.08Å; R329-D333 IonicContact NE-OD2 2.71Å; R329-D333 VanDerWaalsContact NH2-CG 3.28Å; R329-D333 IonicContact NH2-OD1 3.64Å; R329-D333 PolarHBondContact NH2-OD1 3.44Å; R329-D333 IonicContact NH2-OD2 3.46Å; R329-D333 PolarHBondContact NH2-OD2 3.4Å
330T98.1Very high98Very high27 Ų2769.5 Ų69.517%0.16635%0.352CS..  trans-118.6150.6154.4480000111.4Q325 W326 D332 D333Q325-T330 PolarHBondContact NE2-O 2.95Å; Q325-T330 PolarHBondContact NE2-OG1 3.15Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.1Å; Q325-T330 PolarHBondContact OE1-O 2.96Å; W326-T330 HydrophobicContact CB-CG2 3.68Å; W326-T330 HydrophobicContact CD2-CG2 3.88Å; W326-T330 HydrophobicContact CE3-CG2 3.62Å; W326-T330 HydrophobicContact CG-CG2 3.95Å; W326-T330 HydrophobicContact CZ3-CG2 4.48Å; T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 VanDerWaalsContact C-OD1 3.32Å; T330-D332 WeakPolarHBondContact CB-OD1 3.49Å; T330-D332 PolarHBondContact O-N 3.49Å; T330-D332 PolarHBondContact OG1-OD1 2.84Å; T330-D333 VanDerWaalsContact O-OD1 3.05Å
331L98Very high97.7Very high123 Ų12364.6 Ų64.664%0.64433%0.329SS*.THydrogen-bonded Turntrans-86.2-1.6-169.9-161.364.4000114.3D333 S334L331-D333 WeakPolarHBondContact CA-OD1 3.41Å; L331-D333 PolarHBondContact O-N 2.9Å; L331-D333 VanDerWaalsContact O-N 3.15Å; L331-S334 WeakPolarHBondContact O-CB 3.43Å; L331-S334 PolarHBondContact O-N 3.44Å
332D97.8Very high97.4Very high81 Ų8165.2 Ų65.243%0.43333%0.333SS..Hα-helixtrans-60.6-18.6175.462-57.4000112.8Q325 T330Q325-D332 PolarHBondContact NE2-OD1 3.21Å; T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 VanDerWaalsContact C-OD1 3.32Å; T330-D332 WeakPolarHBondContact CB-OD1 3.49Å; T330-D332 PolarHBondContact O-N 3.49Å; T330-D332 PolarHBondContact OG1-OD1 2.84Å
333D98.5Very high97Very high0 Ų067.9 Ų67.90%034%0.338CS..Hα-helixtrans-66.8-32.5171.973.7-39000113.7R245 T321 R329 T330 L331 A335 N336 R337R245-D333 IonicContact CZ-OD2 3.38Å; R245-D333 IonicContact NE-OD2 3.5Å; R245-D333 PolarHBondContact NE-OD2 3.49Å; R245-D333 IonicContact NH2-OD2 3.83Å; R245-D333 PolarHBondContact NH2-OD2 2.97Å; T321-D333 HydrophobicContact CG2-CB 3.59Å; R329-D333 IonicContact CZ-OD1 2.53Å; R329-D333 IonicContact CZ-OD2 2.82Å; R329-D333 IonicContact NE-OD1 3.48Å; R329-D333 PolarHBondContact NE-OD1 3.08Å; R329-D333 IonicContact NE-OD2 2.71Å; R329-D333 VanDerWaalsContact NH2-CG 3.28Å; R329-D333 IonicContact NH2-OD1 3.64Å; R329-D333 PolarHBondContact NH2-OD1 3.44Å; R329-D333 IonicContact NH2-OD2 3.46Å; R329-D333 PolarHBondContact NH2-OD2 3.4Å; T330-D333 VanDerWaalsContact O-OD1 3.05Å; L331-D333 WeakPolarHBondContact CA-OD1 3.41Å; L331-D333 PolarHBondContact O-N 2.9Å; L331-D333 VanDerWaalsContact O-N 3.15Å; D333-A335 PolarHBondContact O-N 2.88Å; D333-N336 PolarHBondContact O-N 3.04Å; D333-R337 VanDerWaalsContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CB 3.32Å; D333-R337 WeakPolarHBondContact O-CD 3.01Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3Å
334S97.6Very high96.5Very high26 Ų2663.7 Ų63.718%0.18231%0.308CS..Hα-helixtrans-62.8-50.2-165.2-179.70000112.7L331 R338L331-S334 WeakPolarHBondContact O-CB 3.43Å; L331-S334 PolarHBondContact O-N 3.44Å; S334-R338 WeakPolarHBondContact O-CD 3.41Å; S334-R338 VanDerWaalsContact O-CG 3.25Å; S334-R338 WeakPolarHBondContact O-CG 3.35Å; S334-R338 PolarHBondContact O-N 3.08Å; S334-R338 PolarHBondContact OG-NE 3.22Å
335A97.6Very high95.9Very high66 Ų6660.8 Ų60.855%0.54529%0.29SS..Hα-helixtrans-69.1-43-17800000111.8D333 R338D333-A335 PolarHBondContact O-N 2.88Å; A335-R338 PolarHBondContact O-N 3.31Å
336N98.4Very high94.9Very high42 Ų4259.7 Ų59.723%0.22529%0.285CS..Hα-helixtrans-61.5-47.9179.1-175.9-77.8000110.9D317 D333 R338 I339 C340D317-N336 WeakPolarHBondContact CB-OD1 3.4Å; D317-N336 PolarHBondContact OD1-ND2 3.08Å; D333-N336 PolarHBondContact O-N 3.04Å; N336-R338 VanDerWaalsContact C-N 3.33Å; N336-R338 PolarHBondContact O-N 3.07Å; N336-I339 CarbonylContact O-C 3.5Å; N336-I339 WeakPolarHBondContact O-CA 3.11Å; N336-I339 WeakPolarHBondContact O-CB 3.35Å; N336-I339 PolarHBondContact O-N 3.04Å; N336-C340 PolarHBondContact O-N 3.33Å; N336-C340 PolarHBondContact O-SG 3.16Å; N336-C340 VanDerWaalsContact O-SG 3.39Å; N336-C340 PolarHBondContact OD1-SG 3.02Å
337R98.4Very high93.7Very high15 Ų1551.8 Ų51.86%0.05726%0.256CS..Hα-helixtrans-62.2-35.3-179.3-70.9171.368.9-99.2-5.2113.5D120 Y243 D248 D333 I339 L341D120-R337 IonicContact OD2-CZ 3.99Å; D120-R337 IonicContact OD2-NH1 3.97Å; D120-R337 PolarHBondContact OD2-NH1 2.84Å; D120-R337 IonicContact OD2-NH2 2.77Å; D120-R337 PolarHBondContact OD2-NH2 2.68Å; Y243-R337 PolarHBondContact OH-NH2 3.44Å; D248-R337 WeakPolarHBondContact OD2-CD 3.48Å; D248-R337 IonicContact OD2-CZ 2.81Å; D248-R337 IonicContact OD2-NE 2.91Å; D248-R337 PolarHBondContact OD2-NE 2.64Å; D333-R337 VanDerWaalsContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CB 3.32Å; D333-R337 WeakPolarHBondContact O-CD 3.01Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3Å; R337-I339 PolarHBondContact O-N 3.33Å; R337-L341 HydrophobicContact CB-CD1 3.92Å; R337-L341 HydrophobicContact CB-CG 4.2Å; R337-L341 HydrophobicContact CG-CD1 4.34Å; R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.11Å; R337-L341 PolarHBondContact O-N 3.3Å
338R96.5Very high92.3Very high134 Ų13444.2 Ų44.251%0.50622%0.223SC..Hα-helixtrans-63-21.1173.7-71.5169.2-170.3-110.24.5112.8D87 S334 A335 N336 P342D87-R338 IonicContact OD2-CZ 3.55Å; D87-R338 IonicContact OD2-NH1 3.86Å; D87-R338 IonicContact OD2-NH2 3.18Å; D87-R338 PolarHBondContact OD2-NH2 3.3Å; S334-R338 WeakPolarHBondContact O-CD 3.41Å; S334-R338 VanDerWaalsContact O-CG 3.25Å; S334-R338 WeakPolarHBondContact O-CG 3.35Å; S334-R338 PolarHBondContact O-N 3.08Å; S334-R338 PolarHBondContact OG-NE 3.22Å; A335-R338 PolarHBondContact O-N 3.31Å; N336-R338 VanDerWaalsContact C-N 3.33Å; N336-R338 PolarHBondContact O-N 3.07Å; R338-P342 WeakPolarHBondContact O-CG 3.27Å
339I96Very high90.9Very high83 Ų8339.9 Ų39.943%0.42620%0.203SC..Hα-helixtrans-98.5-55.2178.6-61.9171.3000110.5N336 R337 R343N336-I339 CarbonylContact O-C 3.5Å; N336-I339 WeakPolarHBondContact O-CA 3.11Å; N336-I339 WeakPolarHBondContact O-CB 3.35Å; N336-I339 PolarHBondContact O-N 3.04Å; R337-I339 PolarHBondContact O-N 3.33Å; I339-R343 VanDerWaalsContact O-CB 3.27Å; I339-R343 WeakPolarHBondContact O-CB 3.48Å; I339-R343 WeakPolarHBondContact O-CD 3.39Å; I339-R343 WeakPolarHBondContact O-CG 3.45Å; I339-R343 PolarHBondContact O-N 3.39Å
340C94.2Very high88.8Confident1 Ų138.8 Ų38.81%0.00720%0.201CC..Hα-helixtrans-74-38.8-168720000112.4D317 N336 R343 H344D317-C340 HydrophobicContact CB-CB 3.78Å; D317-C340 VanDerWaalsContact OD2-CB 3.27Å; D317-C340 WeakPolarHBondContact OD2-CB 3.49Å; N336-C340 PolarHBondContact O-N 3.33Å; N336-C340 PolarHBondContact O-SG 3.16Å; N336-C340 VanDerWaalsContact O-SG 3.39Å; N336-C340 PolarHBondContact OD1-SG 3.02Å; C340-R343 PolarHBondContact O-N 3.46Å; C340-H344 PolarHBondContact O-N 3.14Å; C340-H344 VanDerWaalsContact O-N 3.13Å; C340-H344 PolarHBondContact O-ND1 2.83Å
341L93.4Very high86.8Confident8 Ų847.7 Ų47.74%0.04223%0.233CC..Hα-helixtrans-63.5-54.6-178-55.5177.3000111.2D248 L252 R337 R343 H344 F345D248-L341 HydrophobicContact CB-CD2 4.24Å; L252-L341 HydrophobicContact CD1-CD2 3.66Å; L252-L341 HydrophobicContact CD2-CD2 3.94Å; L252-L341 HydrophobicContact CG-CD2 4.49Å; R337-L341 HydrophobicContact CB-CD1 3.92Å; R337-L341 HydrophobicContact CB-CG 4.2Å; R337-L341 HydrophobicContact CG-CD1 4.34Å; R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.11Å; R337-L341 PolarHBondContact O-N 3.3Å; L341-R343 VanDerWaalsContact C-N 3.31Å; L341-R343 PolarHBondContact O-N 3.05Å; L341-H344 PolarHBondContact O-N 3.11Å; L341-F345 WeakPolarHBondContact O-CD2 3.45Å
342P92.5Very high86.3Confident25 Ų2543.9 Ų43.916%0.16221%0.212CC..Hα-helixtrans-61.5-39.4178-19.231.6000112.3F30 R338 H344 F345 L346F30-P342 HydrophobicContact CB-CB 4.17Å; F30-P342 HydrophobicContact CD1-CB 3.65Å; F30-P342 HydrophobicContact CD1-CG 3.6Å; F30-P342 HydrophobicContact CD2-CB 4.47Å; F30-P342 HydrophobicContact CE1-CB 4.11Å; F30-P342 HydrophobicContact CE1-CG 4.05Å; F30-P342 HydrophobicContact CG-CB 3.84Å; F30-P342 HydrophobicContact CG-CG 4.24Å; R338-P342 WeakPolarHBondContact O-CG 3.27Å; P342-H344 PolarHBondContact O-N 3.24Å; P342-F345 PolarHBondContact O-N 3.33Å; P342-F345 VanDerWaalsContact O-N 3.09Å; P342-L346 HydrophobicContact CB-CD1 3.98Å; P342-L346 WeakPolarHBondContact O-CB 3.43Å; P342-L346 WeakPolarHBondContact O-CD1 3.16Å; P342-L346 WeakPolarHBondContact O-CG 3.45Å; P342-L346 PolarHBondContact O-N 3.25Å
343R90.4Very high85.7Confident83 Ų8341.9 Ų41.931%0.31320%0.201SC..Hα-helixtrans-66.9-18.7-177.7-72.9-177.3-178.9-169.42.6114.2L17 L314 I339 C340 L341 P347L17-R343 HydrophobicContact CD1-CB 4.14Å; L17-R343 HydrophobicContact CD1-CG 3.84Å; L314-R343 HydrophobicContact CD1-CB 3.81Å; I339-R343 VanDerWaalsContact O-CB 3.27Å; I339-R343 WeakPolarHBondContact O-CB 3.48Å; I339-R343 WeakPolarHBondContact O-CD 3.39Å; I339-R343 WeakPolarHBondContact O-CG 3.45Å; I339-R343 PolarHBondContact O-N 3.39Å; C340-R343 PolarHBondContact O-N 3.46Å; L341-R343 VanDerWaalsContact C-N 3.31Å; L341-R343 PolarHBondContact O-N 3.05Å; R343-P347 WeakPolarHBondContact O-CD 3.08Å; R343-P347 WeakPolarHBondContact O-CG 3.38Å
344H87Confident85Confident4 Ų444.3 Ų44.32%0.01921%0.212CC..Hα-helixtrans-81.4-30170.6-78.688.2000113.5L252 L255 L311 L314 V315 C340 L341 P342L252-H344 WeakPolarHBondContact CD2-CE1 3.27Å; L252-H344 WeakPolarHBondContact CD2-ND1 3.49Å; L252-H344 HydrophobicContact CG-CB 4.24Å; L252-H344 WeakPolarHBondContact CG-CE1 3Å; L255-H344 HydrophobicContact CD1-CB 3.76Å; L311-H344 VanDerWaalsContact CD1-CA 3.46Å; L311-H344 HydrophobicContact CD1-CB 3.81Å; L311-H344 WeakPolarHBondContact CD1-O 3.35Å; L314-H344 WeakPolarHBondContact CB-CE1 3.31Å; L314-H344 WeakPolarHBondContact CB-NE2 3.41Å; L314-H344 PolarHBondContact O-CE1 3.22Å; L314-H344 VanDerWaalsContact O-CE1 3.31Å; V315-H344 PolarHBondContact N-NE2 3.45Å; C340-H344 PolarHBondContact O-N 3.14Å; C340-H344 VanDerWaalsContact O-N 3.13Å; C340-H344 PolarHBondContact O-ND1 2.83Å; L341-H344 PolarHBondContact O-N 3.11Å; P342-H344 PolarHBondContact O-N 3.24Å
345F87.6Confident84.2Confident5 Ų545.4 Ų45.42%0.02221%0.213CC..Hα-helixtrans-91.3-26.2-177.1-78.1-85.5000113.9M26 F30 L124 A127 L128 L131 V251 L255 L341 P342M26-F345 HydrophobicContact CE-CB 4.34Å; M26-F345 HydrophobicContact CE-CD1 4.37Å; M26-F345 HydrophobicContact CG-CB 4.46Å; M26-F345 HydrophobicContact SD-CB 3.92Å; F30-F345 HydrophobicContact CE2-CB 3.46Å; F30-F345 VanDerWaalsContact CE2-CB 3.46Å; F30-F345 HydrophobicContact CE2-CD2 4.2Å; F30-F345 AromaticContact CE2-CG 3.95Å; F30-F345 HydrophobicContact CE2-CG 3.95Å; F30-F345 HydrophobicContact CZ-CB 3.81Å; F30-F345 AromaticContact CZ-CD2 3.65Å; F30-F345 HydrophobicContact CZ-CD2 3.65Å; F30-F345 HydrophobicContact CZ-CE2 4.43Å; F30-F345 AromaticContact CZ-CG 3.87Å; F30-F345 HydrophobicContact CZ-CG 3.87Å; L124-F345 HydrophobicContact CD2-CD2 4.46Å; L124-F345 HydrophobicContact CD2-CE2 3.55Å; L124-F345 HydrophobicContact CD2-CZ 4.07Å; A127-F345 HydrophobicContact CB-CB 4.37Å; A127-F345 HydrophobicContact CB-CD1 3.36Å; A127-F345 HydrophobicContact CB-CD2 4.38Å; A127-F345 HydrophobicContact CB-CE1 3.56Å; A127-F345 HydrophobicContact CB-CG 3.8Å; A127-F345 HydrophobicContact CB-CZ 4.16Å; L128-F345 HydrophobicContact CD2-CE1 3.94Å; L128-F345 HydrophobicContact CD2-CZ 4.2Å; L128-F345 HydrophobicContact CG-CE1 3.95Å; L128-F345 HydrophobicContact CG-CZ 4.11Å; L131-F345 HydrophobicContact CD1-CD1 3.56Å; L131-F345 HydrophobicContact CD1-CE1 3.83Å; L131-F345 HydrophobicContact CG-CD1 4.3Å; V251-F345 HydrophobicContact CG1-CE2 3.88Å; V251-F345 HydrophobicContact CG1-CZ 3.58Å; L255-F345 HydrophobicContact CD1-CD1 4.25Å; L255-F345 HydrophobicContact CD1-CD2 4.07Å; L255-F345 HydrophobicContact CD1-CE1 4.02Å; L255-F345 HydrophobicContact CD1-CE2 3.82Å; L255-F345 HydrophobicContact CD1-CG 4.29Å; L255-F345 HydrophobicContact CD1-CZ 3.81Å; L341-F345 WeakPolarHBondContact O-CD2 3.45Å; P342-F345 PolarHBondContact O-N 3.33Å; P342-F345 VanDerWaalsContact O-N 3.09Å
346L76.3Confident83.4Confident16 Ų1644.1 Ų44.18%0.08419%0.193CC..SBendtrans-73.9-29.8-176.7-69.1166.9000116.1L17 A22 M26 P342 Q348L17-L346 HydrophobicContact CB-CB 3.92Å; L17-L346 HydrophobicContact CB-CD1 4.24Å; L17-L346 HydrophobicContact CD1-CB 4.19Å; L17-L346 HydrophobicContact CG-CB 4.48Å; A22-L346 HydrophobicContact CB-CB 4.03Å; A22-L346 HydrophobicContact CB-CD2 3.56Å; A22-L346 HydrophobicContact CB-CG 4.41Å; A22-L346 VanDerWaalsContact CB-O 3.28Å; A22-L346 WeakPolarHBondContact CB-O 3.36Å; M26-L346 HydrophobicContact CB-CD2 4.46Å; M26-L346 HydrophobicContact CG-CD2 3.95Å; P342-L346 HydrophobicContact CB-CD1 3.98Å; P342-L346 WeakPolarHBondContact O-CB 3.43Å; P342-L346 WeakPolarHBondContact O-CD1 3.16Å; P342-L346 WeakPolarHBondContact O-CG 3.45Å; P342-L346 PolarHBondContact O-N 3.25Å; L346-Q348 PolarHBondContact O-N 3.33Å
347P74.4Confident82.4Confident8 Ų844.2 Ų44.25%0.05219%0.191CC..  trans-62.1110.9178.9-22.733.4000111.7L17 L307 R343 I349L17-P347 HydrophobicContact CD2-CB 4.34Å; L17-P347 HydrophobicContact CD2-CG 3.96Å; L307-P347 HydrophobicContact CB-CB 4.18Å; L307-P347 HydrophobicContact CD2-CB 4.44Å; R343-P347 WeakPolarHBondContact O-CD 3.08Å; R343-P347 WeakPolarHBondContact O-CG 3.38Å; P347-I349 VanDerWaalsContact C-N 3.33Å; P347-I349 HydrophobicContact CB-CG2 4.2Å; P347-I349 PolarHBondContact O-N 3.18Å
348Q69Low81.2Confident35 Ų3546.3 Ų46.316%0.16420%0.2CC..  trans-74.586.7171.7-73.2175.3-45.400110.8Y21 S23 L346 Y351Y21-Q348 WeakPolarHBondContact O-CB 3.49Å; Y21-Q348 WeakPolarHBondContact O-CG 3.48Å; Y21-Q348 PolarHBondContact O-N 2.85Å; Y21-Q348 PolarHBondContact O-OE1 2.95Å; S23-Q348 VanDerWaalsContact CB-NE2 3.27Å; S23-Q348 VanDerWaalsContact N-CD 3.33Å; S23-Q348 VanDerWaalsContact N-NE2 3.14Å; L346-Q348 PolarHBondContact O-N 3.33Å; Q348-Y351 HydrophobicContact CB-CD2 3.76Å; Q348-Y351 HydrophobicContact CB-CE2 3.57Å; Q348-Y351 HydrophobicContact CG-CD2 4.49Å; Q348-Y351 HydrophobicContact CG-CE2 3.88Å; Q348-Y351 PolarHBondContact NE2-OH 3.27Å; Q348-Y351 PolarHBondContact OE1-OH 3.13Å
349I68.1Low80.1Confident11 Ų1139.5 Ų39.56%0.05618%0.177CC..  trans-96.4-0.8174.464.5171.6000113.5L258 V262 L307 A308 L311 P347L258-I349 HydrophobicContact CD2-CD1 4.32Å; L258-I349 HydrophobicContact CG-CD1 4.12Å; V262-I349 HydrophobicContact CB-CD1 4.28Å; V262-I349 HydrophobicContact CG1-CB 4.17Å; V262-I349 HydrophobicContact CG2-CD1 3.99Å; V262-I349 HydrophobicContact CG2-CG1 4.32Å; L307-I349 HydrophobicContact CB-CG2 3.6Å; L307-I349 HydrophobicContact CD1-CG2 4.49Å; A308-I349 HydrophobicContact CB-CG2 4.49Å; L311-I349 HydrophobicContact CD2-CD1 3.52Å; P347-I349 VanDerWaalsContact C-N 3.33Å; P347-I349 HydrophobicContact CB-CG2 4.2Å; P347-I349 PolarHBondContact O-N 3.18Å
350L55.3Low78.7Confident22 Ų2235.9 Ų35.912%0.11516%0.156CC..  trans-11550.9-173.5-62.1177.6000113K134 L135 V138 L258 V262K134-L350 HydrophobicContact CB-CB 4.37Å; K134-L350 HydrophobicContact CB-CD1 4.26Å; L135-L350 HydrophobicContact CB-CD1 3.9Å; L135-L350 HydrophobicContact CD1-CD1 4.45Å; L135-L350 HydrophobicContact CD1-CD2 3.9Å; V138-L350 HydrophobicContact CG2-CB 4.14Å; V138-L350 HydrophobicContact CG2-CD2 4.43Å; L258-L350 HydrophobicContact CD1-CD2 4.27Å; L258-L350 HydrophobicContact CD2-CD1 4.27Å; L258-L350 HydrophobicContact CD2-CD2 4.48Å; V262-L350 HydrophobicContact CG2-CD2 4.27Å
351Y56.7Low77.3Confident213 Ų21339.1 Ų39.184%0.83517%0.169SC*.  trans-96.60179.9-100.7-66.9000114.7Q348Q348-Y351 HydrophobicContact CB-CD2 3.76Å; Q348-Y351 HydrophobicContact CB-CE2 3.57Å; Q348-Y351 HydrophobicContact CG-CD2 4.49Å; Q348-Y351 HydrophobicContact CG-CE2 3.88Å; Q348-Y351 PolarHBondContact NE2-OH 3.27Å; Q348-Y351 PolarHBondContact OE1-OH 3.13Å

Retrieved 351 of 351 residues in 78.5 ms (Link to these results)

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