A0A087XY68_POEFO Loading...

Protein O-mannosyl-transferase 1

AlphaFold DB , UniProt , Accession A0A087XY68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 721 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1P38.3Very low56.6Low182 Ų182136.5 Ų136.5100%1.18279%0.788SS**  093.1021.80.7000110.6M3P1-M3 PolarHBondContact O-N 3.35Å
2A43.8Very low57.7Low103 Ų103133.3 Ų133.385%0.85179%0.79SS**  trans-76.2113.7176.300000108.8L4A2-L4 PolarHBondContact O-N 3.36Å
3M46Very low59Low180 Ų180141.3 Ų141.389%0.88780%0.798SS**  trans-57.6126.5170.6-116.8172.2169.200108.8P1 Q5P1-M3 PolarHBondContact O-N 3.35Å; M3-Q5 PolarHBondContact O-N 3.39Å
4L53.7Low60.6Low145 Ų145140.4 Ų140.476%0.75979%0.789SS**  trans-60.5101.9170.2-87.1143.9000108.4A2 L6 L8A2-L4 PolarHBondContact O-N 3.36Å; L4-L6 PolarHBondContact O-N 2.98Å; L4-L8 HydrophobicContact CD2-CD1 4.3Å
5Q53.9Low62.5Low179 Ų179134.3 Ų134.384%0.83675%0.754SS**PPolyproline II helixtrans-74.7116.2172.4-74.8-171.6-22.500109M3M3-Q5 PolarHBondContact O-N 3.39Å
6L68.5Low64.3Low143 Ų143134.3 Ų134.375%0.74975%0.751SS**SBendtrans-84.9146.3171-75.6156000109.5L4 L8L4-L6 PolarHBondContact O-N 2.98Å; L6-L8 HydrophobicContact CD2-CB 4.45Å
7P63.6Low65.9Low107 Ų107129.7 Ų129.770%0.69573%0.727SS**SBendcis-79.2143.37.330.5-33.5000113.3V9P7-V9 VanDerWaalsContact C-N 3.32Å; P7-V9 HydrophobicContact CG-CG2 4.21Å; P7-V9 PolarHBondContact O-N 2.93Å
8L59.7Low67.5Low120 Ų120124.6 Ų124.663%0.62870%0.697SS**  trans-68.990.7169.4-112.4152.2000108.1L4 L6 V10L4-L8 HydrophobicContact CD2-CD1 4.3Å; L6-L8 HydrophobicContact CD2-CB 4.45Å; L8-V10 PolarHBondContact O-N 3.49Å
9V64.4Low68.9Low109 Ų109121.3 Ų121.366%0.66168%0.68SS**  trans-79.5101.5175.9-175.80000108.5P7 T11P7-V9 VanDerWaalsContact C-N 3.32Å; P7-V9 HydrophobicContact CG-CG2 4.21Å; P7-V9 PolarHBondContact O-N 2.93Å; V9-T11 HydrophobicContact CG1-CG2 3.97Å
10V66.4Low70.2Confident126 Ų126120.4 Ų120.476%0.76467%0.673SS**  trans-88103.6171.6-179.10000108.5L8L8-V10 PolarHBondContact O-N 3.49Å
11T64.6Low71.4Confident107 Ų107114.9 Ų114.966%0.65664%0.642SS**  trans-89.5110.1173.257.90000110.2V9V9-T11 HydrophobicContact CG1-CG2 3.97Å
12A69.4Low74.1Confident98 Ų98107.7 Ų107.781%0.8160%0.596SS**  trans-86.7122.5170.500000110
13R75.3Confident76.7Confident238 Ų238107.9 Ų107.990%0.89858%0.581SS**  trans-107.9116.4170.6-67.5-175.9-178174.90.5108
14L81.3Confident79.1Confident129 Ų129102.1 Ų102.168%0.67555%0.554SS**  trans-104.7117.6-176.8-162130.4000109.6L16 V19L14-L16 HydrophobicContact CD2-CD2 3.93Å; L14-L16 HydrophobicContact CD2-CG 4.16Å; L14-L16 PolarHBondContact O-N 3.31Å; L14-V19 HydrophobicContact CD2-CG2 4.09Å; L14-V19 HydrophobicContact CG-CG2 4.33Å
15D88.2Confident81.1Confident49 Ų4995.2 Ų95.226%0.26252%0.518SS..  trans-86.7102.5172.3-172.2-27.4000108.9V17 L18 V19 Y119 H129D15-V17 PolarHBondContact O-N 3.25Å; D15-V17 WeakPolarHBondContact OD1-CB 3.35Å; D15-V17 PolarHBondContact OD1-N 3.34Å; D15-L18 HydrophobicContact CB-CB 3.93Å; D15-L18 PolarHBondContact O-N 3.05Å; D15-L18 PolarHBondContact OD1-N 3.39Å; D15-V19 WeakPolarHBondContact O-CG2 3.33Å; D15-V19 PolarHBondContact O-N 3.22Å; D15-V19 VanDerWaalsContact O-N 3.1Å; D15-Y119 PolarHBondContact OD2-OH 3Å; D15-H129 IonicContact OD2-CE1 2.85Å; D15-H129 IonicContact OD2-ND1 3.55Å
16L90.9Very high83.1Confident134 Ų13489 Ų8970%0.70249%0.49SS*.Hα-helixtrans-60.1-32.8-179.4-74.8159.9000112.4L14 V19 L20L14-L16 HydrophobicContact CD2-CD2 3.93Å; L14-L16 HydrophobicContact CD2-CG 4.16Å; L14-L16 PolarHBondContact O-N 3.31Å; L16-V19 PolarHBondContact O-N 3.33Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 3.1Å
17V92.8Very high84.4Confident56 Ų5690.6 Ų90.634%0.33949%0.486SS..Hα-helixtrans-69.2-45.8-179.8-179.50000109.6D15 V19 L20 V21 Y119 L133D15-V17 PolarHBondContact O-N 3.25Å; D15-V17 WeakPolarHBondContact OD1-CB 3.35Å; D15-V17 PolarHBondContact OD1-N 3.34Å; V17-V19 VanDerWaalsContact C-N 3.34Å; V17-V19 PolarHBondContact O-N 2.95Å; V17-L20 PolarHBondContact O-N 2.99Å; V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.34Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.45Å; V17-Y119 HydrophobicContact CG1-CE2 3.86Å; V17-L133 HydrophobicContact CG1-CD1 3.89Å
18L93.8Very high85.9Confident37 Ų3786.5 Ų86.519%0.19446%0.459CS..Hα-helixtrans-60.4-43.5176.4-179.863.3000111.8D15 T22 P116 Y119 L120D15-L18 HydrophobicContact CB-CB 3.93Å; D15-L18 PolarHBondContact O-N 3.05Å; D15-L18 PolarHBondContact OD1-N 3.39Å; L18-T22 WeakPolarHBondContact O-CB 3.43Å; L18-T22 PolarHBondContact O-N 3.18Å; L18-T22 PolarHBondContact O-OG1 3.29Å; L18-P116 HydrophobicContact CD1-CB 3.62Å; L18-Y119 HydrophobicContact CB-CD1 4.43Å; L18-Y119 HydrophobicContact CB-CE1 4.25Å; L18-Y119 HydrophobicContact CD1-CD1 3.81Å; L18-Y119 HydrophobicContact CD1-CE1 4.45Å; L18-Y119 HydrophobicContact CD1-CG 4.3Å; L18-L120 HydrophobicContact CD1-CD2 4.45Å; L18-L120 HydrophobicContact CD1-CG 4.22Å; L18-L120 HydrophobicContact CD2-CD2 3.95Å; L18-L120 HydrophobicContact CD2-CG 4.43Å
19V94.3Very high87.6Confident62 Ų6280.9 Ų80.938%0.37643%0.43SS..Hα-helixtrans-62.3-48177.8172.80000110.8L14 D15 L16 V17 V21 T22 L23L14-V19 HydrophobicContact CD2-CG2 4.09Å; L14-V19 HydrophobicContact CG-CG2 4.33Å; D15-V19 WeakPolarHBondContact O-CG2 3.33Å; D15-V19 PolarHBondContact O-N 3.22Å; D15-V19 VanDerWaalsContact O-N 3.1Å; L16-V19 PolarHBondContact O-N 3.33Å; V17-V19 VanDerWaalsContact C-N 3.34Å; V17-V19 PolarHBondContact O-N 2.95Å; V19-V21 PolarHBondContact O-N 3.37Å; V19-T22 PolarHBondContact O-N 3.48Å; V19-L23 HydrophobicContact CG1-CD1 4.08Å; V19-L23 HydrophobicContact CG1-CG 4.48Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 3.3Å
20L95.1Very high89.1Confident104 Ų10477.9 Ų77.955%0.54541%0.41SS..Hα-helixtrans-60.7-47.4179.4-178.466.3000111.8L16 V17 T22 L23 L24L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 3.1Å; V17-L20 PolarHBondContact O-N 2.99Å; L20-T22 VanDerWaalsContact C-N 3.28Å; L20-T22 PolarHBondContact O-N 3.01Å; L20-L23 PolarHBondContact O-N 3.16Å; L20-L24 HydrophobicContact CD1-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.2Å
21V95.2Very high90.3Very high4 Ų474.4 Ų74.42%0.02439%0.391CS..Hα-helixtrans-60.1-40.5177.2166.20000111.1V17 V19 L24 S25 V115 L133 A136V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.34Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.45Å; V19-V21 PolarHBondContact O-N 3.37Å; V21-L24 PolarHBondContact O-N 3.25Å; V21-S25 VanDerWaalsContact O-CB 3.26Å; V21-S25 WeakPolarHBondContact O-CB 3.09Å; V21-S25 PolarHBondContact O-N 3.04Å; V21-V115 HydrophobicContact CG1-CG1 3.52Å; V21-L133 HydrophobicContact CG2-CD1 3.98Å; V21-A136 HydrophobicContact CG1-CB 3.74Å; V21-A136 HydrophobicContact CG2-CB 4.32Å
22T96.4Very high91.5Very high32 Ų3271.4 Ų71.420%0.19638%0.382CS..Hα-helixtrans-64.9-44.9178.2-56.10000111.2L18 V19 L20 S25 L26 P116L18-T22 WeakPolarHBondContact O-CB 3.43Å; L18-T22 PolarHBondContact O-N 3.18Å; L18-T22 PolarHBondContact O-OG1 3.29Å; V19-T22 PolarHBondContact O-N 3.48Å; L20-T22 VanDerWaalsContact C-N 3.28Å; L20-T22 PolarHBondContact O-N 3.01Å; T22-S25 PolarHBondContact O-N 3.47Å; T22-L26 HydrophobicContact CG2-CD1 4.12Å; T22-L26 WeakPolarHBondContact O-CB 3.23Å; T22-L26 WeakPolarHBondContact O-CG 3.48Å; T22-L26 PolarHBondContact O-N 3.17Å; T22-P116 HydrophobicContact CG2-CG 4.39Å; T22-P116 WeakPolarHBondContact OG1-CB 3.29Å
23L96.7Very high92.5Very high106 Ų10666.9 Ų66.956%0.55534%0.343SS*.Hα-helixtrans-63.5-43.8177.6-69.9173.7000112.1V19 L20 S25 L26 W27V19-L23 HydrophobicContact CG1-CD1 4.08Å; V19-L23 HydrophobicContact CG1-CG 4.48Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 3.3Å; L20-L23 PolarHBondContact O-N 3.16Å; L23-S25 VanDerWaalsContact C-N 3.35Å; L23-L26 PolarHBondContact O-N 3.05Å; L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.47Å
24L96.2Very high93.2Very high60 Ų6057.3 Ų57.331%0.31432%0.319SS..Hα-helixtrans-63.9-40.6175.8-70.2173.2000111.8L20 V21 W27 T28 L140L20-L24 HydrophobicContact CD1-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.2Å; V21-L24 PolarHBondContact O-N 3.25Å; L24-W27 HydrophobicContact CD2-CE3 3.98Å; L24-W27 HydrophobicContact CD2-CZ3 4.25Å; L24-W27 PolarHBondContact O-N 3.48Å; L24-T28 WeakPolarHBondContact O-CG2 3.44Å; L24-T28 PolarHBondContact O-N 3.28Å; L24-T28 PolarHBondContact O-OG1 3.42Å; L24-T28 VanDerWaalsContact O-OG1 3.1Å; L24-L140 HydrophobicContact CB-CD1 4.35Å; L24-L140 HydrophobicContact CB-CD2 4.11Å; L24-L140 HydrophobicContact CD1-CD2 4.42Å
25S96.6Very high93.7Very high0 Ų055.2 Ų55.20%030%0.303CS..Hα-helixtrans-64.3-44.1176.8-172.10000112.5V21 T22 L23 W27 T28 R29 A112 V115V21-S25 VanDerWaalsContact O-CB 3.26Å; V21-S25 WeakPolarHBondContact O-CB 3.09Å; V21-S25 PolarHBondContact O-N 3.04Å; T22-S25 PolarHBondContact O-N 3.47Å; L23-S25 VanDerWaalsContact C-N 3.35Å; S25-W27 VanDerWaalsContact C-N 3.34Å; S25-T28 PolarHBondContact O-OG1 3.41Å; S25-R29 PolarHBondContact O-N 3.23Å; S25-A112 WeakPolarHBondContact CB-O 3.37Å; S25-A112 VanDerWaalsContact OG-CA 3.28Å; S25-A112 WeakPolarHBondContact OG-CA 3.4Å; S25-A112 PolarHBondContact OG-O 2.95Å; S25-V115 WeakPolarHBondContact OG-CB 3.39Å; S25-V115 WeakPolarHBondContact OG-CG2 3.44Å
26L96.8Very high93.9Very high48 Ų4852.9 Ų52.925%0.25129%0.29SS..Hα-helixtrans-61.7-44.3173.8-73.5167.9000110.9T22 L23 R29 L30 L109 A112T22-L26 HydrophobicContact CG2-CD1 4.12Å; T22-L26 WeakPolarHBondContact O-CB 3.23Å; T22-L26 WeakPolarHBondContact O-CG 3.48Å; T22-L26 PolarHBondContact O-N 3.17Å; L23-L26 PolarHBondContact O-N 3.05Å; L26-R29 PolarHBondContact O-N 3.43Å; L26-L30 HydrophobicContact CB-CD1 4.22Å; L26-L30 HydrophobicContact CD2-CD1 3.81Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.37Å; L26-L109 HydrophobicContact CD2-CD2 4.05Å; L26-A112 HydrophobicContact CD2-CB 3.86Å; L26-A112 HydrophobicContact CG-CB 4.4Å
27W95.7Very high93.8Very high177 Ų17748.5 Ų48.567%0.6728%0.278SS*.Hα-helixtrans-61.1-52.4178.6177.628.3000112.1L23 L24 S25 R29 S31L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.47Å; L24-W27 HydrophobicContact CD2-CE3 3.98Å; L24-W27 HydrophobicContact CD2-CZ3 4.25Å; L24-W27 PolarHBondContact O-N 3.48Å; S25-W27 VanDerWaalsContact C-N 3.34Å; W27-R29 VanDerWaalsContact C-N 3.29Å; W27-R29 PolarHBondContact O-N 2.95Å; W27-S31 WeakPolarHBondContact O-CB 3.39Å; W27-S31 PolarHBondContact O-N 2.92Å
28T94.4Very high93.8Very high20 Ų2046.3 Ų46.312%0.12327%0.265CS..Hα-helixtrans-56.8-39.7-17950.80000113.1L24 S25 L140 Y695L24-T28 WeakPolarHBondContact O-CG2 3.44Å; L24-T28 PolarHBondContact O-N 3.28Å; L24-T28 PolarHBondContact O-OG1 3.42Å; L24-T28 VanDerWaalsContact O-OG1 3.1Å; S25-T28 PolarHBondContact O-OG1 3.41Å; T28-L140 HydrophobicContact CG2-CD1 4.12Å; T28-Y695 WeakPolarHBondContact O-CE1 3.49Å; T28-Y695 PolarHBondContact O-OH 3.04Å; T28-Y695 VanDerWaalsContact O-OH 3.09Å
29R95.1Very high93.7Very high3 Ų344.5 Ų44.51%0.01126%0.256CS..Hα-helixtrans-92.7-30.8-174.1-69.3153.4171.274.1-1.2113.9S25 L26 W27 L33 G111 A112 L139 R150S25-R29 PolarHBondContact O-N 3.23Å; L26-R29 PolarHBondContact O-N 3.43Å; W27-R29 VanDerWaalsContact C-N 3.29Å; W27-R29 PolarHBondContact O-N 2.95Å; R29-L33 WeakPolarHBondContact O-CD2 3.43Å; R29-G111 VanDerWaalsContact CD-C 3.42Å; R29-G111 WeakPolarHBondContact CD-O 3.4Å; R29-G111 VanDerWaalsContact NE-C 3.3Å; R29-G111 PolarHBondContact NE-O 3.48Å; R29-A112 HydrophobicContact CB-CB 4.3Å; R29-A112 VanDerWaalsContact CD-N 3.29Å; R29-L139 PolarHBondContact NH2-O 3.48Å; R29-R150 WeakPolarHBondContact O-CG 3.46Å
30L95.1Very high93.7Very high45 Ų4541.7 Ų41.724%0.23624%0.238CC..Hα-helixtrans-87.5-16.3178.9-59176.2000113.1L26 G32 L33 L105 A108 L109L26-L30 HydrophobicContact CB-CD1 4.22Å; L26-L30 HydrophobicContact CD2-CD1 3.81Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.37Å; L30-G32 PolarHBondContact O-N 3.11Å; L30-L33 HydrophobicContact CB-CD1 4.29Å; L30-L33 HydrophobicContact CD2-CD1 3.69Å; L30-L33 WeakPolarHBondContact O-CG 3.45Å; L30-L105 HydrophobicContact CD2-CD1 3.87Å; L30-A108 HydrophobicContact CD2-CB 3.87Å; L30-L109 HydrophobicContact CD1-CD2 4.07Å; L30-L109 HydrophobicContact CD2-CD2 4.09Å; L30-L109 HydrophobicContact CD2-CG 4.33Å
31S91.9Very high93.3Very high54 Ų5437.1 Ų37.138%0.37821%0.214SC..THydrogen-bonded Turntrans-62.5125.8177.7-176.50000111.3W27 L33 R150W27-S31 WeakPolarHBondContact O-CB 3.39Å; W27-S31 PolarHBondContact O-N 2.92Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.16Å; S31-R150 PolarHBondContact O-NH2 2.9Å
32G89.9Confident93Very high44 Ų4437.5 Ų37.545%0.45422%0.216SC..THydrogen-bonded Turntrans61.630.817300000115L30 G34 Y35 R150L30-G32 PolarHBondContact O-N 3.11Å; G32-G34 PolarHBondContact O-N 3.4Å; G32-G34 VanDerWaalsContact O-N 3.16Å; G32-Y35 PolarHBondContact O-N 3.13Å; G32-Y35 VanDerWaalsContact O-O 3.13Å; G32-R150 PolarHBondContact O-NH2 3.45Å
33L91Very high92.8Very high2 Ų236 Ų361%0.0121%0.207CC..THydrogen-bonded Turntrans-55.5-30.5-179.5-80.1169.4000114.4R29 L30 S31 Y35 W101 R104 A108 R150R29-L33 WeakPolarHBondContact O-CD2 3.43Å; L30-L33 HydrophobicContact CB-CD1 4.29Å; L30-L33 HydrophobicContact CD2-CD1 3.69Å; L30-L33 WeakPolarHBondContact O-CG 3.45Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.16Å; L33-Y35 PolarHBondContact O-N 2.96Å; L33-W101 HydrophobicContact CB-CG 4.39Å; L33-R104 HydrophobicContact CD2-CB 3.93Å; L33-R104 WeakPolarHBondContact O-CD 3.36Å; L33-R104 PolarHBondContact O-NH1 3.47Å; L33-R104 VanDerWaalsContact O-NH1 3.09Å; L33-A108 HydrophobicContact CD1-CB 4.13Å; L33-A108 HydrophobicContact CD2-CB 3.69Å; L33-R150 HydrophobicContact CD2-CB 4.39Å; L33-R150 HydrophobicContact CD2-CG 4.47Å
34G90.4Very high92.5Very high37 Ų3731.6 Ų31.638%0.38119%0.185SC..THydrogen-bonded Turntrans-68.3-14.4175.200000114G32 P36 G37G32-G34 PolarHBondContact O-N 3.4Å; G32-G34 VanDerWaalsContact O-N 3.16Å; G34-P36 CarbonylContact O-C 3.55Å; G34-P36 VanDerWaalsContact O-C 3.25Å; G34-G37 WeakPolarHBondContact O-CA 3.5Å; G34-G37 PolarHBondContact O-N 2.84Å
35Y91.2Very high92.1Very high85 Ų8534.9 Ų34.933%0.33319%0.193SC..  trans-105.7130.8177.9-175.8-91.3000111.3G32 L33 R150 Y695 G696 N697G32-Y35 PolarHBondContact O-N 3.13Å; G32-Y35 VanDerWaalsContact O-O 3.13Å; L33-Y35 PolarHBondContact O-N 2.96Å; Y35-R150 PolarHBondContact O-NH2 3.38Å; Y35-Y695 WeakPolarHBondContact CD1-O 3.42Å; Y35-Y695 WeakPolarHBondContact CE1-O 3.34Å; Y35-G696 PolarHBondContact OH-O 2.53Å; Y35-G696 VanDerWaalsContact OH-O 3.12Å; Y35-N697 HydrophobicContact CE1-CB 4.23Å
36P92Very high91.9Very high1 Ų135.5 Ų35.51%0.00620%0.196CC..SBendcis-72.6145.3-4.230.3-37.1000111.7G34 A38 V40 R104 F151 W556 I565G34-P36 CarbonylContact O-C 3.55Å; G34-P36 VanDerWaalsContact O-C 3.25Å; P36-A38 PolarHBondContact O-N 3.33Å; P36-V40 HydrophobicContact CG-CG2 4.11Å; P36-R104 PolarHBondContact O-NH1 2.83Å; P36-R104 PolarHBondContact O-NH2 3.34Å; P36-F151 HydrophobicContact CG-CE1 4.49Å; P36-W556 HydrophobicContact CB-CD2 3.94Å; P36-W556 HydrophobicContact CB-CE3 4.25Å; P36-W556 HydrophobicContact CB-CG 4.48Å; P36-W556 HydrophobicContact CB-CH2 4.04Å; P36-W556 HydrophobicContact CB-CZ2 3.74Å; P36-W556 HydrophobicContact CB-CZ3 4.29Å; P36-W556 HydrophobicContact CG-CD2 3.94Å; P36-W556 HydrophobicContact CG-CE3 4.27Å; P36-W556 HydrophobicContact CG-CG 4.11Å; P36-I565 VanDerWaalsContact CD-CD1 3.47Å; P36-I565 HydrophobicContact CG-CD1 3.77Å
37G90.3Very high91.6Very high42 Ų4233.2 Ų33.243%0.43318%0.184SC..  trans-74.936172.400000113G34 Y94G34-G37 WeakPolarHBondContact O-CA 3.5Å; G34-G37 PolarHBondContact O-N 2.84Å; G37-Y94 PolarHBondContact O-N 3.36Å; G37-Y94 VanDerWaalsContact O-N 3.12Å
38A91.6Very high91.4Very high9 Ų928.7 Ų28.77%0.07417%0.17CC..BIsolated β-bridgetrans-140.7156.5-175.200000111.2P36 A92 Y94 R104P36-A38 PolarHBondContact O-N 3.33Å; A38-A92 CarbonylContact C-O 3.48Å; A38-A92 WeakPolarHBondContact CA-O 3.43Å; A38-A92 WeakPolarHBondContact CB-O 3.25Å; A38-Y94 WeakPolarHBondContact O-CE2 3.35Å; A38-R104 PolarHBondContact O-NH2 2.89Å
39V92.5Very high91.3Very high0 Ų029 Ų290%017%0.17CC..  trans-66.3135.3177.4-174.60000110.3E43 V44 F85 W87 G91 A92 Y94V39-E43 HydrophobicContact CG1-CB 3.97Å; V39-V44 HydrophobicContact CG1-CB 4.29Å; V39-V44 HydrophobicContact CG1-CG2 3.47Å; V39-V44 VanDerWaalsContact CG1-CG2 3.47Å; V39-F85 HydrophobicContact CG2-CE1 3.82Å; V39-F85 HydrophobicContact CG2-CZ 4.01Å; V39-W87 HydrophobicContact CG1-CE3 4Å; V39-W87 HydrophobicContact CG1-CZ3 4.17Å; V39-W87 HydrophobicContact CG2-CE3 3.98Å; V39-W87 HydrophobicContact CG2-CZ3 3.95Å; V39-G91 PolarHBondContact O-N 2.72Å; V39-A92 HydrophobicContact CB-CB 4.48Å; V39-A92 HydrophobicContact CG2-CB 4.09Å; V39-A92 PolarHBondContact N-O 3.42Å; V39-Y94 HydrophobicContact CG2-CD1 4.31Å; V39-Y94 HydrophobicContact CG2-CE1 3.7Å; V39-Y94 HydrophobicContact CG2-CE2 4.32Å
40V92.8Very high91.1Very high2 Ų228.9 Ų28.91%0.01217%0.17CC..  trans-108.3160.8-178.2-176.40000110P36 D42 E43 V44 F151 Y555 W556P36-V40 HydrophobicContact CG-CG2 4.11Å; V40-D42 PolarHBondContact O-N 2.85Å; V40-E43 HydrophobicContact CB-CG 4.01Å; V40-E43 PolarHBondContact N-OE2 3.14Å; V40-E43 WeakPolarHBondContact O-CB 3.47Å; V40-E43 PolarHBondContact O-N 3.11Å; V40-V44 PolarHBondContact O-N 3.26Å; V40-F151 HydrophobicContact CB-CD1 4.22Å; V40-F151 HydrophobicContact CB-CG 4.46Å; V40-F151 HydrophobicContact CG1-CD1 4.32Å; V40-F151 HydrophobicContact CG1-CD2 4.27Å; V40-F151 HydrophobicContact CG1-CE2 4.46Å; V40-F151 HydrophobicContact CG1-CG 4.24Å; V40-F151 HydrophobicContact CG2-CD1 3.75Å; V40-F151 HydrophobicContact CG2-CE1 3.74Å; V40-F151 HydrophobicContact CG2-CG 4.45Å; V40-F151 HydrophobicContact CG2-CZ 4.41Å; V40-Y555 HydrophobicContact CG1-CD2 3.73Å; V40-Y555 HydrophobicContact CG1-CG 3.95Å; V40-Y555 VanDerWaalsContact CG1-O 3.25Å; V40-Y555 WeakPolarHBondContact CG1-O 3.31Å; V40-W556 HydrophobicContact CG1-CB 4.38Å; V40-W556 HydrophobicContact CG2-CB 4.25Å
41F88.1Confident91Very high9 Ų927.1 Ų27.14%0.03916%0.161CC..THydrogen-bonded Turntrans-18.5-79.8-178.2-170.2-99.6000116.3I90 H537 Y539 I553 Y555 F636F41-I90 HydrophobicContact CB-CD1 4.38Å; F41-I90 HydrophobicContact CD2-CD1 3.83Å; F41-I90 HydrophobicContact CG-CD1 4.48Å; F41-H537 AromaticContact CE2-CE1 3.48Å; F41-H537 VanDerWaalsContact CE2-CE1 3.48Å; F41-H537 WeakPolarHBondContact CE2-CE1 3.36Å; F41-H537 AromaticContact CE2-NE2 3.77Å; F41-H537 AromaticContact CZ-CE1 3.65Å; F41-H537 AromaticContact CZ-NE2 3.97Å; F41-Y539 HydrophobicContact CE2-CD2 4.18Å; F41-I553 HydrophobicContact CD1-CG2 4.38Å; F41-I553 HydrophobicContact CD2-CG2 4.34Å; F41-I553 HydrophobicContact CE1-CG2 4.33Å; F41-I553 HydrophobicContact CE2-CG2 4.29Å; F41-I553 HydrophobicContact CG-CG2 4.41Å; F41-I553 HydrophobicContact CZ-CG2 4.29Å; F41-Y555 HydrophobicContact CB-CD1 4.13Å; F41-Y555 HydrophobicContact CB-CE1 4.47Å; F41-Y555 HydrophobicContact CB-CG 4.31Å; F41-Y555 HydrophobicContact CD1-CE1 4.47Å; F41-Y555 PolarHBondContact N-O 3.04Å; F41-F636 HydrophobicContact CE1-CE1 4.42Å; F41-F636 HydrophobicContact CZ-CE1 4.08Å; F41-F636 HydrophobicContact CZ-CZ 4.45Å
42D88.1Confident91.1Very high12 Ų1226 Ų266%0.06415%0.15CC..THydrogen-bonded Turntrans-86.3-7.6-177.5-77.8-21.3000113.7V40 V44 Y45 Y46 L153 Y638V40-D42 PolarHBondContact O-N 2.85Å; D42-V44 PolarHBondContact O-N 3.4Å; D42-Y45 PolarHBondContact O-N 3.33Å; D42-Y46 HydrophobicContact CB-CD2 4.21Å; D42-Y46 HydrophobicContact CB-CE2 4.01Å; D42-Y46 VanDerWaalsContact O-CD2 3.25Å; D42-Y46 WeakPolarHBondContact O-CD2 3.39Å; D42-Y46 PolarHBondContact O-N 3.45Å; D42-L153 HydrophobicContact CB-CD2 3.46Å; D42-L153 VanDerWaalsContact CB-CD2 3.46Å; D42-Y638 WeakPolarHBondContact OD2-CE1 3.19Å; D42-Y638 PolarHBondContact OD2-OH 3.09Å
43E91.9Very high91.3Very high1 Ų124.4 Ų24.41%0.00513%0.131CC..Hα-helixtrans-63.5-24.6173.5-63.6-167.415100111.4V39 V40 G47 Y94 R104 F151 M152V39-E43 HydrophobicContact CG1-CB 3.97Å; V40-E43 HydrophobicContact CB-CG 4.01Å; V40-E43 PolarHBondContact N-OE2 3.14Å; V40-E43 WeakPolarHBondContact O-CB 3.47Å; V40-E43 PolarHBondContact O-N 3.11Å; E43-G47 WeakPolarHBondContact O-CA 3.49Å; E43-G47 PolarHBondContact O-N 2.69Å; E43-Y94 PolarHBondContact OE2-OH 2.93Å; E43-R104 IonicContact OE1-CZ 3.79Å; E43-R104 IonicContact OE1-NE 2.88Å; E43-R104 PolarHBondContact OE1-NE 2.82Å; E43-R104 IonicContact OE1-NH2 3.96Å; E43-R104 PolarHBondContact OE1-NH2 3.16Å; E43-R104 IonicContact OE2-CZ 3.43Å; E43-R104 IonicContact OE2-NE 2.6Å; E43-R104 IonicContact OE2-NH2 2.86Å; E43-R104 PolarHBondContact OE2-NH2 3.39Å; E43-F151 HydrophobicContact CG-CB 4.29Å; E43-M152 HydrophobicContact CB-CE 4.21Å; E43-M152 HydrophobicContact CG-CB 3.97Å; E43-M152 WeakPolarHBondContact O-CE 3.23Å; E43-M152 PolarHBondContact OE1-N 3.34Å
44V90.5Very high91.4Very high13 Ų1326.4 Ų26.48%0.07914%0.141CC..Hα-helixtrans-58.6-50.5174.2-176.50000110.3V39 V40 D42 Q48 W87 I90V39-V44 HydrophobicContact CG1-CB 4.29Å; V39-V44 HydrophobicContact CG1-CG2 3.47Å; V39-V44 VanDerWaalsContact CG1-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.26Å; D42-V44 PolarHBondContact O-N 3.4Å; V44-Q48 WeakPolarHBondContact O-CG 3.39Å; V44-Q48 PolarHBondContact O-N 3.3Å; V44-W87 HydrophobicContact CG1-CB 4.22Å; V44-W87 WeakPolarHBondContact CG1-O 3.31Å; V44-W87 WeakPolarHBondContact O-CB 3.38Å; V44-I90 HydrophobicContact CG2-CG1 3.86Å
45Y88.6Confident91.5Very high128 Ų12828.4 Ų28.450%0.50214%0.139SC..Hα-helixtrans-72.8-50.4-176.5-59.9-71.2000111.8D42 G47 Q48 F49D42-Y45 PolarHBondContact O-N 3.33Å; Y45-G47 PolarHBondContact O-N 3.13Å; Y45-Q48 WeakPolarHBondContact O-CB 3.42Å; Y45-Q48 PolarHBondContact O-N 3.1Å; Y45-Q48 VanDerWaalsContact O-N 3.08Å; Y45-F49 WeakPolarHBondContact O-CD2 3.47Å; Y45-F49 PolarHBondContact O-N 3.02Å
46Y90.9Very high91.6Very high13 Ų1331.1 Ų31.15%0.05115%0.149CC..Hα-helixtrans-62.2-34.2178.2-66.3-56.1000112D42 Q48 F49 L50 H69 L72 M152 L153 L154D42-Y46 HydrophobicContact CB-CD2 4.21Å; D42-Y46 HydrophobicContact CB-CE2 4.01Å; D42-Y46 VanDerWaalsContact O-CD2 3.25Å; D42-Y46 WeakPolarHBondContact O-CD2 3.39Å; D42-Y46 PolarHBondContact O-N 3.45Å; Y46-Q48 VanDerWaalsContact C-N 3.34Å; Y46-Q48 PolarHBondContact O-N 3.44Å; Y46-F49 HydrophobicContact CD1-CD2 4.33Å; Y46-F49 PolarHBondContact O-N 3.38Å; Y46-L50 WeakPolarHBondContact O-CD1 3.33Å; Y46-L50 PolarHBondContact O-N 3.1Å; Y46-H69 AromaticContact CD1-CD2 3.75Å; Y46-H69 AromaticContact CD1-NE2 3.37Å; Y46-H69 WeakPolarHBondContact CD1-NE2 3.17Å; Y46-H69 AromaticContact CE1-NE2 3.44Å; Y46-H69 WeakPolarHBondContact CE1-NE2 3.42Å; Y46-L72 HydrophobicContact CD1-CD1 4.47Å; Y46-L72 HydrophobicContact CG-CD1 4.28Å; Y46-M152 WeakPolarHBondContact CD2-O 3.39Å; Y46-L153 HydrophobicContact CD2-CD2 3.92Å; Y46-L153 HydrophobicContact CE2-CD2 3.83Å; Y46-L154 HydrophobicContact CD1-CD1 4.17Å; Y46-L154 HydrophobicContact CD1-CG 4.22Å; Y46-L154 HydrophobicContact CE1-CD1 3.35Å; Y46-L154 HydrophobicContact CE1-CG 3.6Å; Y46-L154 HydrophobicContact CE2-CG 4.42Å
47G91.1Very high91.5Very high0 Ų032.2 Ų32.20%016%0.155CC..Hα-helixtrans-61.6-40.4174.700000113E43 Y45 F49 L50 S51 W87 M152E43-G47 WeakPolarHBondContact O-CA 3.49Å; E43-G47 PolarHBondContact O-N 2.69Å; Y45-G47 PolarHBondContact O-N 3.13Å; G47-F49 VanDerWaalsContact C-N 3.34Å; G47-F49 PolarHBondContact O-N 3.47Å; G47-L50 WeakPolarHBondContact O-CB 3.45Å; G47-L50 PolarHBondContact O-N 3.43Å; G47-S51 PolarHBondContact O-N 3.14Å; G47-S51 PolarHBondContact O-OG 3.44Å; G47-W87 VanDerWaalsContact CA-CD2 3.49Å; G47-W87 VanDerWaalsContact CA-CZ2 3.42Å; G47-W87 PolarHBondContact O-NE1 3.41Å; G47-M152 VanDerWaalsContact CA-CE 3.48Å; G47-M152 VanDerWaalsContact N-CE 3.28Å
48Q91.3Very high91.6Very high83 Ų8330.2 Ų30.239%0.38814%0.135SC..Hα-helixtrans-58.7-47.4174-67.9173.611.200110.7V44 Y45 Y46 L50 S51 L52 W87V44-Q48 WeakPolarHBondContact O-CG 3.39Å; V44-Q48 PolarHBondContact O-N 3.3Å; Y45-Q48 WeakPolarHBondContact O-CB 3.42Å; Y45-Q48 PolarHBondContact O-N 3.1Å; Y45-Q48 VanDerWaalsContact O-N 3.08Å; Y46-Q48 VanDerWaalsContact C-N 3.34Å; Y46-Q48 PolarHBondContact O-N 3.44Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 2.82Å; Q48-S51 WeakPolarHBondContact O-CB 3.44Å; Q48-S51 PolarHBondContact O-N 2.96Å; Q48-L52 VanDerWaalsContact O-CG 3.29Å; Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 2.99Å; Q48-W87 HydrophobicContact CG-CB 3.63Å; Q48-W87 HydrophobicContact CG-CG 4.11Å; Q48-W87 PolarHBondContact NE2-O 2.75Å
49F92.1Very high91.6Very high26 Ų2629.9 Ų29.911%0.11413%0.132CC..Hα-helixtrans-61.4-38.1176.9-61-47.5000112.7Y45 Y46 G47 L52 Y53 F59 D61 H69Y45-F49 WeakPolarHBondContact O-CD2 3.47Å; Y45-F49 PolarHBondContact O-N 3.02Å; Y46-F49 HydrophobicContact CD1-CD2 4.33Å; Y46-F49 PolarHBondContact O-N 3.38Å; G47-F49 VanDerWaalsContact C-N 3.34Å; G47-F49 PolarHBondContact O-N 3.47Å; F49-L52 HydrophobicContact CD1-CD1 4.23Å; F49-L52 WeakPolarHBondContact O-CB 3.4Å; F49-L52 PolarHBondContact O-N 2.94Å; F49-Y53 WeakPolarHBondContact O-CD2 2.98Å; F49-Y53 PolarHBondContact O-N 2.96Å; F49-F59 HydrophobicContact CB-CE2 4.16Å; F49-F59 HydrophobicContact CB-CZ 4.01Å; F49-F59 AromaticContact CD1-CD2 3.36Å; F49-F59 HydrophobicContact CD1-CD2 3.36Å; F49-F59 AromaticContact CD1-CE2 3.38Å; F49-F59 HydrophobicContact CD1-CE2 3.38Å; F49-F59 AromaticContact CD1-CG 3.99Å; F49-F59 HydrophobicContact CD1-CG 3.99Å; F49-F59 HydrophobicContact CD1-CZ 4.02Å; F49-F59 AromaticContact CE1-CD2 3.6Å; F49-F59 HydrophobicContact CE1-CD2 3.6Å; F49-F59 AromaticContact CE1-CE2 3.89Å; F49-F59 HydrophobicContact CE1-CE2 3.89Å; F49-F59 HydrophobicContact CE1-CG 4.41Å; F49-F59 HydrophobicContact CG-CD2 4.3Å; F49-F59 AromaticContact CG-CE2 3.87Å; F49-F59 HydrophobicContact CG-CE2 3.87Å; F49-F59 HydrophobicContact CG-CZ 4.24Å; F49-D61 HydrophobicContact CE1-CB 4.21Å; F49-D61 HydrophobicContact CE2-CB 4.29Å; F49-D61 HydrophobicContact CZ-CB 3.9Å; F49-D61 WeakPolarHBondContact CZ-OD1 3.38Å; F49-H69 AromaticContact CD2-CD2 3.58Å; F49-H69 AromaticContact CD2-NE2 3.5Å; F49-H69 AromaticContact CE2-NE2 3.94Å
50L92.5Very high91.3Very high0 Ų030.7 Ų30.70%014%0.136CC..Hα-helixtrans-60.7-46.9174-97.267.1000112.2Y46 G47 Q48 L52 Y53 M54 L72 A73 A76 L103 M152Y46-L50 WeakPolarHBondContact O-CD1 3.33Å; Y46-L50 PolarHBondContact O-N 3.1Å; G47-L50 WeakPolarHBondContact O-CB 3.45Å; G47-L50 PolarHBondContact O-N 3.43Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 2.82Å; L50-L52 PolarHBondContact O-N 3.17Å; L50-Y53 PolarHBondContact O-N 3.44Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 2.89Å; L50-L72 HydrophobicContact CD1-CB 3.6Å; L50-L72 HydrophobicContact CD1-CD1 4.4Å; L50-L72 HydrophobicContact CG-CB 4.46Å; L50-A73 HydrophobicContact CG-CB 4.38Å; L50-A76 HydrophobicContact CD2-CB 3.66Å; L50-A76 HydrophobicContact CG-CB 4.39Å; L50-L103 HydrophobicContact CD2-CD2 3.97Å; L50-M152 HydrophobicContact CD1-SD 4.39Å; L50-M152 HydrophobicContact CD2-CE 4.25Å; L50-M152 HydrophobicContact CD2-SD 3.37Å; L50-M152 WeakPolarHBondContact CD2-SD 3.39Å; L50-M152 HydrophobicContact CG-SD 4.49Å
51S92.9Very high90.9Very high8 Ų831 Ų316%0.05614%0.138CC..Hα-helixtrans-58.6-38.6175.3-69.30000111.2G47 Q48 M54 K55 G83 W87G47-S51 PolarHBondContact O-N 3.14Å; G47-S51 PolarHBondContact O-OG 3.44Å; Q48-S51 WeakPolarHBondContact O-CB 3.44Å; Q48-S51 PolarHBondContact O-N 2.96Å; S51-M54 PolarHBondContact O-N 3.18Å; S51-K55 VanDerWaalsContact O-CB 3.31Å; S51-K55 WeakPolarHBondContact O-CB 3.44Å; S51-K55 VanDerWaalsContact O-CG 3.28Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.95Å; S51-G83 WeakPolarHBondContact CB-O 3.49Å; S51-G83 PolarHBondContact OG-O 2.97Å; S51-W87 PolarHBondContact OG-NE1 3.46Å
52L93.2Very high90.3Very high30 Ų3034.2 Ų34.216%0.15716%0.155CC..Hα-helixtrans-68.2-38.8177.3-62.9169.1000112.1Q48 F49 L50 K55 R56 T57 F59 P267Q48-L52 VanDerWaalsContact O-CG 3.29Å; Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 2.99Å; F49-L52 HydrophobicContact CD1-CD1 4.23Å; F49-L52 WeakPolarHBondContact O-CB 3.4Å; F49-L52 PolarHBondContact O-N 2.94Å; L50-L52 PolarHBondContact O-N 3.17Å; L52-K55 CarbonylContact O-C 3.41Å; L52-K55 PolarHBondContact O-N 3.28Å; L52-R56 PolarHBondContact O-N 2.7Å; L52-T57 VanDerWaalsContact CA-OG1 3.27Å; L52-T57 WeakPolarHBondContact CA-OG1 3.47Å; L52-T57 WeakPolarHBondContact CB-OG1 3.49Å; L52-T57 WeakPolarHBondContact CD2-OG1 3.12Å; L52-T57 PolarHBondContact O-N 3.4Å; L52-T57 PolarHBondContact O-OG1 3.02Å; L52-F59 HydrophobicContact CB-CD1 3.74Å; L52-F59 HydrophobicContact CB-CE1 4.23Å; L52-F59 HydrophobicContact CD1-CB 3.73Å; L52-F59 HydrophobicContact CD1-CD1 4.02Å; L52-F59 HydrophobicContact CD1-CG 3.95Å; L52-P267 HydrophobicContact CD1-CG 4.45Å
53Y94.1Very high89.5Confident12 Ų1234.9 Ų34.95%0.04716%0.16CC..Hα-helixtrans-62.1-47.8171.8-90.9-74.8000112.6F49 L50 K55 R56 F59 P66 H69 A73 H258 I261 L262F49-Y53 WeakPolarHBondContact O-CD2 2.98Å; F49-Y53 PolarHBondContact O-N 2.96Å; L50-Y53 PolarHBondContact O-N 3.44Å; Y53-K55 VanDerWaalsContact C-N 3.29Å; Y53-K55 PolarHBondContact O-N 3.47Å; Y53-R56 PolarHBondContact O-N 3.5Å; Y53-R56 VanDerWaalsContact O-N 3.08Å; Y53-F59 AromaticContact CD2-CE1 3.75Å; Y53-F59 HydrophobicContact CD2-CE1 3.75Å; Y53-F59 AromaticContact CD2-CZ 3.93Å; Y53-F59 HydrophobicContact CD2-CZ 3.93Å; Y53-F59 AromaticContact CE2-CE1 3.63Å; Y53-F59 HydrophobicContact CE2-CE1 3.63Å; Y53-F59 AromaticContact CE2-CZ 3.42Å; Y53-F59 HydrophobicContact CE2-CZ 3.42Å; Y53-F59 VanDerWaalsContact CE2-CZ 3.42Å; Y53-F59 HydrophobicContact CG-CE1 4.42Å; Y53-P66 WeakPolarHBondContact OH-CB 3.43Å; Y53-P66 PolarHBondContact OH-O 2.87Å; Y53-H69 HydrophobicContact CD2-CB 4.37Å; Y53-H69 HydrophobicContact CE2-CB 3.5Å; Y53-A73 HydrophobicContact CD2-CB 4.16Å; Y53-A73 HydrophobicContact CG-CB 3.99Å; Y53-H258 AromaticContact CE1-ND1 3.74Å; Y53-H258 AromaticContact CZ-CE1 3.98Å; Y53-H258 AromaticContact CZ-ND1 3.43Å; Y53-H258 PolarHBondContact OH-CE1 2.95Å; Y53-H258 PolarHBondContact OH-ND1 3.23Å; Y53-I261 HydrophobicContact CD1-CG2 4.23Å; Y53-L262 HydrophobicContact CD1-CD2 3.92Å; Y53-L262 HydrophobicContact CE1-CD2 4.32Å; Y53-L262 HydrophobicContact CE1-CG 4.43Å; Y53-L262 HydrophobicContact CG-CD2 4.38Å
54M93.1Very high89.2Confident44 Ų4434.9 Ų34.922%0.21716%0.161CC..Hα-helixtrans-61.9-39178.3-66.9-52.6130.600111.6L50 S51 R56 A73 A76 Y77 F81L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 2.89Å; S51-M54 PolarHBondContact O-N 3.18Å; M54-R56 VanDerWaalsContact C-N 3.26Å; M54-R56 PolarHBondContact O-N 2.97Å; M54-A73 HydrophobicContact CE-CB 3.81Å; M54-A73 WeakPolarHBondContact CE-O 3.42Å; M54-A76 HydrophobicContact CE-CB 4.29Å; M54-Y77 HydrophobicContact SD-CD2 4.3Å; M54-F81 HydrophobicContact CG-CD1 3.87Å; M54-F81 HydrophobicContact CG-CE1 4.39Å
55K92.1Very high89.3Confident78 Ų7834.3 Ų34.334%0.33916%0.157SC..Hα-helixtrans-78.3-7.2177-71.1173.7174.2168.40114S51 L52 Y53 T57 G83 N84 R264S51-K55 VanDerWaalsContact O-CB 3.31Å; S51-K55 WeakPolarHBondContact O-CB 3.44Å; S51-K55 VanDerWaalsContact O-CG 3.28Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.95Å; L52-K55 CarbonylContact O-C 3.41Å; L52-K55 PolarHBondContact O-N 3.28Å; Y53-K55 VanDerWaalsContact C-N 3.29Å; Y53-K55 PolarHBondContact O-N 3.47Å; K55-T57 HydrophobicContact CB-CG2 4Å; K55-T57 PolarHBondContact O-N 3.27Å; K55-G83 WeakPolarHBondContact CE-O 3.34Å; K55-G83 PolarHBondContact NZ-O 3.21Å; K55-N84 VanDerWaalsContact CE-OD1 3.28Å; K55-N84 WeakPolarHBondContact CE-OD1 3.38Å; K55-R264 WeakPolarHBondContact O-CD 3.43Å; K55-R264 PolarHBondContact O-NH1 2.85Å
56R93.1Very high89.5Confident142 Ų14228.5 Ų28.554%0.53614%0.136SC..THydrogen-bonded Turntrans58.930.7-175.2-57.5-174.8-176.1-174.40113.7L52 Y53 M54 I261 Q263 R264L52-R56 PolarHBondContact O-N 2.7Å; Y53-R56 PolarHBondContact O-N 3.5Å; Y53-R56 VanDerWaalsContact O-N 3.08Å; M54-R56 VanDerWaalsContact C-N 3.26Å; M54-R56 PolarHBondContact O-N 2.97Å; R56-I261 WeakPolarHBondContact CB-O 3.18Å; R56-Q263 PolarHBondContact O-N 3.05Å; R56-R264 VanDerWaalsContact O-CB 3.31Å; R56-R264 WeakPolarHBondContact O-CB 3.39Å; R56-R264 PolarHBondContact O-N 3.4Å
57T91.1Very high89.7Confident24 Ų2428.8 Ų28.815%0.14714%0.138CC..BIsolated β-bridgetrans-96.6129.1-177.748.30000111L52 K55 R264L52-T57 VanDerWaalsContact CA-OG1 3.27Å; L52-T57 WeakPolarHBondContact CA-OG1 3.47Å; L52-T57 WeakPolarHBondContact CB-OG1 3.49Å; L52-T57 WeakPolarHBondContact CD2-OG1 3.12Å; L52-T57 PolarHBondContact O-N 3.4Å; L52-T57 PolarHBondContact O-OG1 3.02Å; K55-T57 HydrophobicContact CB-CG2 4Å; K55-T57 PolarHBondContact O-N 3.27Å; T57-R264 HydrophobicContact CG2-CB 4.1Å
58F91.8Very high89.9Confident0 Ų028.8 Ų28.80%014%0.138CC..  trans-62.8140.5-178.2178.3-101.7000112.7I60 L259 L262 R264 G266 D269 M272 F276 L280 L523F58-I60 HydrophobicContact CE1-CD1 4.43Å; F58-I60 HydrophobicContact CE1-CG1 3.91Å; F58-I60 HydrophobicContact CZ-CG1 3.9Å; F58-L259 HydrophobicContact CD2-CD2 4.46Å; F58-L259 HydrophobicContact CE2-CD2 4.05Å; F58-L262 HydrophobicContact CB-CB 4.5Å; F58-R264 WeakPolarHBondContact CB-O 3.46Å; F58-R264 PolarHBondContact N-O 2.9Å; F58-G266 VanDerWaalsContact O-CA 3.29Å; F58-G266 WeakPolarHBondContact O-CA 3.37Å; F58-D269 HydrophobicContact CD1-CB 4.29Å; F58-M272 HydrophobicContact CE1-CG 3.8Å; F58-M272 HydrophobicContact CZ-CE 4.22Å; F58-M272 HydrophobicContact CZ-CG 4.08Å; F58-M272 HydrophobicContact CZ-SD 4.4Å; F58-F276 HydrophobicContact CD1-CE1 4.29Å; F58-F276 HydrophobicContact CD2-CE1 4.09Å; F58-F276 HydrophobicContact CD2-CZ 4.27Å; F58-F276 AromaticContact CE1-CE1 3.93Å; F58-F276 HydrophobicContact CE1-CE1 3.93Å; F58-F276 HydrophobicContact CE1-CZ 4.44Å; F58-F276 AromaticContact CE2-CE1 3.72Å; F58-F276 HydrophobicContact CE2-CE1 3.72Å; F58-F276 AromaticContact CE2-CZ 3.59Å; F58-F276 HydrophobicContact CE2-CZ 3.59Å; F58-F276 HydrophobicContact CG-CE1 4.36Å; F58-F276 AromaticContact CZ-CE1 3.62Å; F58-F276 HydrophobicContact CZ-CE1 3.62Å; F58-F276 AromaticContact CZ-CZ 3.68Å; F58-F276 HydrophobicContact CZ-CZ 3.68Å; F58-L280 HydrophobicContact CB-CD1 3.68Å; F58-L280 HydrophobicContact CB-CD2 3.97Å; F58-L280 HydrophobicContact CB-CG 4.5Å; F58-L280 HydrophobicContact CD1-CD1 3.9Å; F58-L280 HydrophobicContact CG-CD1 3.84Å; F58-L280 HydrophobicContact CG-CD2 4.33Å; F58-L523 HydrophobicContact CE2-CD1 4.43Å; F58-L523 HydrophobicContact CZ-CD1 4.12Å
59F90.9Very high90Very high3 Ų324.9 Ų24.91%0.01312%0.12CC..  trans-148.8161.1174.670.4-91.1000110.2F49 L52 Y53 D61 H258 L262F49-F59 HydrophobicContact CB-CE2 4.16Å; F49-F59 HydrophobicContact CB-CZ 4.01Å; F49-F59 AromaticContact CD1-CD2 3.36Å; F49-F59 HydrophobicContact CD1-CD2 3.36Å; F49-F59 AromaticContact CD1-CE2 3.38Å; F49-F59 HydrophobicContact CD1-CE2 3.38Å; F49-F59 AromaticContact CD1-CG 3.99Å; F49-F59 HydrophobicContact CD1-CG 3.99Å; F49-F59 HydrophobicContact CD1-CZ 4.02Å; F49-F59 AromaticContact CE1-CD2 3.6Å; F49-F59 HydrophobicContact CE1-CD2 3.6Å; F49-F59 AromaticContact CE1-CE2 3.89Å; F49-F59 HydrophobicContact CE1-CE2 3.89Å; F49-F59 HydrophobicContact CE1-CG 4.41Å; F49-F59 HydrophobicContact CG-CD2 4.3Å; F49-F59 AromaticContact CG-CE2 3.87Å; F49-F59 HydrophobicContact CG-CE2 3.87Å; F49-F59 HydrophobicContact CG-CZ 4.24Å; L52-F59 HydrophobicContact CB-CD1 3.74Å; L52-F59 HydrophobicContact CB-CE1 4.23Å; L52-F59 HydrophobicContact CD1-CB 3.73Å; L52-F59 HydrophobicContact CD1-CD1 4.02Å; L52-F59 HydrophobicContact CD1-CG 3.95Å; Y53-F59 AromaticContact CD2-CE1 3.75Å; Y53-F59 HydrophobicContact CD2-CE1 3.75Å; Y53-F59 AromaticContact CD2-CZ 3.93Å; Y53-F59 HydrophobicContact CD2-CZ 3.93Å; Y53-F59 AromaticContact CE2-CE1 3.63Å; Y53-F59 HydrophobicContact CE2-CE1 3.63Å; Y53-F59 AromaticContact CE2-CZ 3.42Å; Y53-F59 HydrophobicContact CE2-CZ 3.42Å; Y53-F59 VanDerWaalsContact CE2-CZ 3.42Å; Y53-F59 HydrophobicContact CG-CE1 4.42Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE2-CB 4Å; F59-H258 AromaticContact CZ-CE1 3.97Å; F59-L262 HydrophobicContact CD1-CD1 3.67Å; F59-L262 HydrophobicContact CE1-CD1 3.62Å; F59-L262 HydrophobicContact CE1-CD2 4.47Å
60I87.7Confident90.1Very high16 Ų1625.2 Ų25.28%0.08213%0.127CC..  trans-114.4139.1170.1-55.5164.3000106.1F58 H268 L271 M272 L523 M527F58-I60 HydrophobicContact CE1-CD1 4.43Å; F58-I60 HydrophobicContact CE1-CG1 3.91Å; F58-I60 HydrophobicContact CZ-CG1 3.9Å; I60-H268 HydrophobicContact CB-CB 4.06Å; I60-H268 HydrophobicContact CD1-CB 3.99Å; I60-H268 WeakPolarHBondContact CD1-O 3.31Å; I60-H268 HydrophobicContact CG1-CB 3.93Å; I60-H268 PolarHBondContact O-ND1 3.34Å; I60-L271 HydrophobicContact CD1-CB 3.88Å; I60-L271 HydrophobicContact CD1-CD1 3.99Å; I60-M272 HydrophobicContact CD1-CE 3.07Å; I60-M272 HydrophobicContact CD1-CG 4.45Å; I60-M272 HydrophobicContact CG1-CE 3.63Å; I60-L523 HydrophobicContact CG1-CD1 4.15Å; I60-M527 HydrophobicContact CG2-CG 4.11Å
61D83Confident90.2Very high10 Ų1027.1 Ų27.15%0.05314%0.137CC..  trans-123.5133.7173.1171.145.7000108.6F49 F59 S63 G64 H69 M527F49-D61 HydrophobicContact CE1-CB 4.21Å; F49-D61 HydrophobicContact CE2-CB 4.29Å; F49-D61 HydrophobicContact CZ-CB 3.9Å; F49-D61 WeakPolarHBondContact CZ-OD1 3.38Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE2-CB 4Å; D61-S63 VanDerWaalsContact CG-OG 3.28Å; D61-S63 WeakPolarHBondContact OD1-CB 3.15Å; D61-S63 PolarHBondContact OD1-N 3.08Å; D61-S63 PolarHBondContact OD1-OG 3.46Å; D61-S63 WeakPolarHBondContact OD2-CB 3.32Å; D61-S63 PolarHBondContact OD2-N 3.41Å; D61-S63 PolarHBondContact OD2-OG 2.91Å; D61-G64 PolarHBondContact OD2-N 3.45Å; D61-H69 IonicContact OD2-CE1 3.3Å; D61-H69 PolarHBondContact OD2-CE1 3.25Å; D61-H69 IonicContact OD2-ND1 2.73Å; D61-H69 IonicContact OD2-NE2 2.76Å; D61-M527 WeakPolarHBondContact O-CE 3.39Å
62D76.4Confident90.3Very high75 Ų7526.8 Ų26.840%0.40114%0.135SC..SBendtrans-84.7-20.3177.665-23.4000111.8G64D62-G64 VanDerWaalsContact C-N 3.34Å; D62-G64 PolarHBondContact O-N 2.92Å
63S71.8Confident90.3Very high26 Ų2625.7 Ų25.718%0.18213%0.13CC..SBendtrans-68.8-31.2-174.991.40000113D61 K200D61-S63 VanDerWaalsContact CG-OG 3.28Å; D61-S63 WeakPolarHBondContact OD1-CB 3.15Å; D61-S63 PolarHBondContact OD1-N 3.08Å; D61-S63 PolarHBondContact OD1-OG 3.46Å; D61-S63 WeakPolarHBondContact OD2-CB 3.32Å; D61-S63 PolarHBondContact OD2-N 3.41Å; D61-S63 PolarHBondContact OD2-OG 2.91Å; S63-K200 WeakPolarHBondContact O-CG 3.25Å
64G84.4Confident90.3Very high2 Ų229.1 Ų29.12%0.02115%0.149CC..  trans161.5-166.4172.100000116.1D61 D62 M527D61-G64 PolarHBondContact OD2-N 3.45Å; D62-G64 VanDerWaalsContact C-N 3.34Å; D62-G64 PolarHBondContact O-N 2.92Å; G64-M527 WeakPolarHBondContact O-CE 3.38Å
65P92.8Very high90.2Very high0 Ų027.2 Ų27.20%014%0.14CC..  trans-67.5167-177.6-2237.6000113.8L67 V197 G198 Y201 Y251 F255P65-L67 PolarHBondContact O-N 3.43Å; P65-V197 WeakPolarHBondContact CD-O 3.41Å; P65-V197 VanDerWaalsContact CG-O 3.23Å; P65-V197 WeakPolarHBondContact CG-O 3.17Å; P65-G198 CarbonylContact C-O 3.52Å; P65-G198 WeakPolarHBondContact CB-O 3.35Å; P65-G198 VanDerWaalsContact O-O 3.08Å; P65-Y201 HydrophobicContact CG-CD1 3.81Å; P65-Y201 HydrophobicContact CG-CD2 4.47Å; P65-Y201 HydrophobicContact CG-CE1 3.44Å; P65-Y201 VanDerWaalsContact CG-CE1 3.44Å; P65-Y201 HydrophobicContact CG-CE2 4.15Å; P65-Y201 HydrophobicContact CG-CG 4.3Å; P65-Y251 HydrophobicContact CB-CE2 3.95Å; P65-Y251 HydrophobicContact CG-CE2 3.83Å; P65-F255 HydrophobicContact CB-CE2 3.87Å; P65-F255 HydrophobicContact CB-CZ 3.93Å
66P94.1Very high90.2Very high7 Ų723.5 Ų23.55%0.04512%0.124CC..THydrogen-bonded Turntrans-80.5-11.7-161.729.6-36.3000115.3Y53 G68 H69 A70 F255 H258Y53-P66 WeakPolarHBondContact OH-CB 3.43Å; Y53-P66 PolarHBondContact OH-O 2.87Å; P66-G68 VanDerWaalsContact C-N 3.34Å; P66-G68 PolarHBondContact O-N 3Å; P66-H69 PolarHBondContact O-N 3.37Å; P66-A70 WeakPolarHBondContact O-CB 3.22Å; P66-A70 PolarHBondContact O-N 2.93Å; P66-F255 VanDerWaalsContact CD-CE2 3.46Å; P66-F255 HydrophobicContact CG-CD1 4.12Å; P66-F255 HydrophobicContact CG-CD2 4.23Å; P66-F255 HydrophobicContact CG-CE1 4.12Å; P66-F255 HydrophobicContact CG-CE2 4.19Å; P66-F255 HydrophobicContact CG-CG 4.2Å; P66-F255 HydrophobicContact CG-CZ 4.16Å; P66-H258 HydrophobicContact CB-CB 3.72Å; P66-H258 WeakPolarHBondContact CB-ND1 2.98Å; P66-H258 HydrophobicContact CG-CB 3.78Å
67L95.3Very high90.1Very high19 Ų1924.6 Ų24.610%0.09913%0.129CC..Hα-helixtrans-64-40.1-171.717960.6000111.8P65 A70 L71 A195 G198 V199 W254P65-L67 PolarHBondContact O-N 3.43Å; L67-A70 PolarHBondContact O-N 3.45Å; L67-L71 HydrophobicContact CD1-CD1 4.31Å; L67-L71 HydrophobicContact CD1-CG 4.12Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 HydrophobicContact CG-CG 4.37Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.42Å; L67-A195 HydrophobicContact CD2-CB 3.78Å; L67-G198 VanDerWaalsContact CB-C 3.5Å; L67-G198 WeakPolarHBondContact CB-O 3.44Å; L67-G198 PolarHBondContact N-O 3.18Å; L67-V199 HydrophobicContact CD2-CG2 4.45Å; L67-V199 HydrophobicContact CG-CG2 4.44Å; L67-W254 HydrophobicContact CB-CG 4.3Å; L67-W254 HydrophobicContact CD1-CG 4.25Å; L67-W254 HydrophobicContact CD2-CD2 4.22Å; L67-W254 HydrophobicContact CD2-CZ2 4.26Å
68G93.4Very high90.1Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-57.7-52.7178.300000111.3P66 A70 L71 L72 L154P66-G68 VanDerWaalsContact C-N 3.34Å; P66-G68 PolarHBondContact O-N 3Å; G68-A70 VanDerWaalsContact C-N 3.34Å; G68-A70 PolarHBondContact O-N 3.26Å; G68-L71 PolarHBondContact O-N 3.41Å; G68-L72 WeakPolarHBondContact O-CG 3.43Å; G68-L72 PolarHBondContact O-N 2.92Å; G68-L72 VanDerWaalsContact O-N 3.07Å; G68-L154 VanDerWaalsContact C-CD2 3.45Å
69H93.6Very high90Very high1 Ų130.6 Ų30.61%0.00517%0.165CC..Hα-helixtrans-62.7-38.6176.5-57.894.4000113Y46 F49 Y53 D61 P66 L71 L72 A73Y46-H69 AromaticContact CD1-CD2 3.75Å; Y46-H69 AromaticContact CD1-NE2 3.37Å; Y46-H69 WeakPolarHBondContact CD1-NE2 3.17Å; Y46-H69 AromaticContact CE1-NE2 3.44Å; Y46-H69 WeakPolarHBondContact CE1-NE2 3.42Å; F49-H69 AromaticContact CD2-CD2 3.58Å; F49-H69 AromaticContact CD2-NE2 3.5Å; F49-H69 AromaticContact CE2-NE2 3.94Å; Y53-H69 HydrophobicContact CD2-CB 4.37Å; Y53-H69 HydrophobicContact CE2-CB 3.5Å; D61-H69 IonicContact OD2-CE1 3.3Å; D61-H69 PolarHBondContact OD2-CE1 3.25Å; D61-H69 IonicContact OD2-ND1 2.73Å; D61-H69 IonicContact OD2-NE2 2.76Å; P66-H69 PolarHBondContact O-N 3.37Å; H69-L71 VanDerWaalsContact C-N 3.33Å; H69-L71 PolarHBondContact O-N 2.83Å; H69-L72 PolarHBondContact O-N 2.9Å; H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 3.38Å
70A94.4Very high89.9Confident33 Ų3333.4 Ų33.427%0.27319%0.194SC..Hα-helixtrans-64.5-3717700000112.1P66 L67 G68 A73 L74P66-A70 WeakPolarHBondContact O-CB 3.22Å; P66-A70 PolarHBondContact O-N 2.93Å; L67-A70 PolarHBondContact O-N 3.45Å; G68-A70 VanDerWaalsContact C-N 3.34Å; G68-A70 PolarHBondContact O-N 3.26Å; A70-A73 PolarHBondContact O-N 2.93Å; A70-L74 WeakPolarHBondContact O-CB 3.37Å; A70-L74 PolarHBondContact O-N 3.49Å
71L95Very high90.1Very high39 Ų3933.4 Ų33.420%0.20419%0.194CC..Hα-helixtrans-67.6-43.5174.4-71.8171.1000111.7L67 G68 H69 A73 L74 G75 L106 L157 F161L67-L71 HydrophobicContact CD1-CD1 4.31Å; L67-L71 HydrophobicContact CD1-CG 4.12Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 HydrophobicContact CG-CG 4.37Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.42Å; G68-L71 PolarHBondContact O-N 3.41Å; H69-L71 VanDerWaalsContact C-N 3.33Å; H69-L71 PolarHBondContact O-N 2.83Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 PolarHBondContact O-N 3.22Å; L71-G75 PolarHBondContact O-N 2.77Å; L71-G75 VanDerWaalsContact O-N 3.11Å; L71-L106 WeakPolarHBondContact O-CD1 3.26Å; L71-L157 HydrophobicContact CB-CD1 4.2Å; L71-L157 HydrophobicContact CD1-CD1 4.12Å; L71-F161 HydrophobicContact CD1-CE2 3.94Å; L71-F161 HydrophobicContact CD1-CZ 4.18Å
72L94.3Very high90.2Very high1 Ų137.5 Ų37.51%0.00522%0.216CC..Hα-helixtrans-63.2-42.1174.7-65.5-178000111.5Y46 L50 G68 H69 L74 G75 A76 P107 M152 L154Y46-L72 HydrophobicContact CD1-CD1 4.47Å; Y46-L72 HydrophobicContact CG-CD1 4.28Å; L50-L72 HydrophobicContact CD1-CB 3.6Å; L50-L72 HydrophobicContact CD1-CD1 4.4Å; L50-L72 HydrophobicContact CG-CB 4.46Å; G68-L72 WeakPolarHBondContact O-CG 3.43Å; G68-L72 PolarHBondContact O-N 2.92Å; G68-L72 VanDerWaalsContact O-N 3.07Å; H69-L72 PolarHBondContact O-N 2.9Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 2.98Å; L72-G75 PolarHBondContact O-N 2.87Å; L72-A76 PolarHBondContact O-N 3.27Å; L72-P107 HydrophobicContact CD2-CG 3.44Å; L72-P107 VanDerWaalsContact CD2-CG 3.44Å; L72-M152 HydrophobicContact CB-CG 4.46Å; L72-M152 HydrophobicContact CD1-CG 3.94Å; L72-M152 HydrophobicContact CD2-CG 3.89Å; L72-M152 HydrophobicContact CG-CG 4.32Å; L72-L154 HydrophobicContact CD1-CD2 3.5Å; L72-L154 VanDerWaalsContact CD1-CD2 3.5Å; L72-L154 HydrophobicContact CD1-CG 4.35Å; L72-L154 HydrophobicContact CG-CD2 3.92Å
73A93.9Very high90.8Very high7 Ų734 Ų346%0.05820%0.197CC..Hα-helixtrans-62.1-37173.800000112.4L50 Y53 M54 H69 A70 L71 G75 A76 Y77L50-A73 HydrophobicContact CG-CB 4.38Å; Y53-A73 HydrophobicContact CD2-CB 4.16Å; Y53-A73 HydrophobicContact CG-CB 3.99Å; M54-A73 HydrophobicContact CE-CB 3.81Å; M54-A73 WeakPolarHBondContact CE-O 3.42Å; H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 3.38Å; A70-A73 PolarHBondContact O-N 2.93Å; L71-A73 VanDerWaalsContact C-N 3.34Å; A73-G75 VanDerWaalsContact C-N 3.35Å; A73-A76 PolarHBondContact O-N 2.93Å; A73-Y77 WeakPolarHBondContact O-CB 3.33Å; A73-Y77 PolarHBondContact O-N 3.32Å
74L93.3Very high91.5Very high85 Ų8537.8 Ų37.845%0.44522%0.215SC..Hα-helixtrans-60.9-44.1172.9178.965.2000111.4A70 L71 L72 A76 Y77 L78A70-L74 WeakPolarHBondContact O-CB 3.37Å; A70-L74 PolarHBondContact O-N 3.49Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 PolarHBondContact O-N 3.22Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 2.98Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 3.39Å; L74-Y77 PolarHBondContact O-N 3.21Å; L74-L78 HydrophobicContact CD1-CD1 4.5Å; L74-L78 HydrophobicContact CD1-CG 4.45Å; L74-L78 HydrophobicContact CG-CD1 4.31Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.17Å; L74-L78 PolarHBondContact O-N 3.49Å
75G91.6Very high91.7Very high4 Ų439.4 Ų39.44%0.04122%0.222CC..Hα-helixtrans-58.8-43.5174.900000112.5L71 L72 A73 L78 G79L71-G75 PolarHBondContact O-N 2.77Å; L71-G75 VanDerWaalsContact O-N 3.11Å; L72-G75 PolarHBondContact O-N 2.87Å; A73-G75 VanDerWaalsContact C-N 3.35Å; G75-L78 PolarHBondContact O-N 3.3Å; G75-G79 PolarHBondContact O-N 2.83Å; G75-G79 VanDerWaalsContact O-N 3.09Å
76A91.9Very high91.4Very high0 Ų044.6 Ų44.60%025%0.253CS..Hα-helixtrans-66.5-40.317700000113.4L50 M54 L72 A73 L74 G79 G80 F81 L103L50-A76 HydrophobicContact CD2-CB 3.66Å; L50-A76 HydrophobicContact CG-CB 4.39Å; M54-A76 HydrophobicContact CE-CB 4.29Å; L72-A76 PolarHBondContact O-N 3.27Å; A73-A76 PolarHBondContact O-N 2.93Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 3.39Å; A76-G79 CarbonylContact O-C 3.56Å; A76-G79 WeakPolarHBondContact O-CA 3.3Å; A76-G79 PolarHBondContact O-N 2.87Å; A76-G79 VanDerWaalsContact O-N 3.12Å; A76-G80 PolarHBondContact O-N 3.1Å; A76-F81 HydrophobicContact CB-CB 4.06Å; A76-F81 HydrophobicContact CB-CD1 4.07Å; A76-F81 WeakPolarHBondContact O-CB 3.4Å; A76-F81 PolarHBondContact O-N 3.32Å; A76-L103 HydrophobicContact CB-CD2 3.36Å
77Y92.5Very high91.1Very high164 Ų16444.8 Ų44.864%0.64325%0.253SS*.Hα-helixtrans-62.9-45176.6179.5-103.7000111.6M54 A73 L74 G79 G80M54-Y77 HydrophobicContact SD-CD2 4.3Å; A73-Y77 WeakPolarHBondContact O-CB 3.33Å; A73-Y77 PolarHBondContact O-N 3.32Å; L74-Y77 PolarHBondContact O-N 3.21Å; Y77-G79 PolarHBondContact O-N 2.92Å; Y77-G80 PolarHBondContact O-N 3.3Å
78L91.3Very high90.5Very high132 Ų13249.1 Ų49.169%0.69128%0.277SS*.Hα-helixtrans-62.9-27.9173.9-67.3173.4000112.3L74 G75 G80L74-L78 HydrophobicContact CD1-CD1 4.5Å; L74-L78 HydrophobicContact CD1-CG 4.45Å; L74-L78 HydrophobicContact CG-CD1 4.31Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.17Å; L74-L78 PolarHBondContact O-N 3.49Å; G75-L78 PolarHBondContact O-N 3.3Å; L78-G80 VanDerWaalsContact C-N 3.3Å
79G89.3Confident90.2Very high19 Ų1957.1 Ų57.120%0.19631%0.307CS..THydrogen-bonded Turntrans-78.6-2.7172.900000115.8G75 A76 Y77 S102G75-G79 PolarHBondContact O-N 2.83Å; G75-G79 VanDerWaalsContact O-N 3.09Å; A76-G79 CarbonylContact O-C 3.56Å; A76-G79 WeakPolarHBondContact O-CA 3.3Å; A76-G79 PolarHBondContact O-N 2.87Å; A76-G79 VanDerWaalsContact O-N 3.12Å; Y77-G79 PolarHBondContact O-N 2.92Å; G79-S102 VanDerWaalsContact CA-OG 3.24Å; G79-S102 WeakPolarHBondContact CA-OG 3.48Å
80G88.9Confident89.9Confident62 Ų6260.9 Ų60.964%0.63933%0.326SS*.THydrogen-bonded Turntrans75.921.7-178.200000114.8A76 Y77 L78A76-G80 PolarHBondContact O-N 3.1Å; Y77-G80 PolarHBondContact O-N 3.3Å; L78-G80 VanDerWaalsContact C-N 3.3Å
81F90.2Very high89.6Confident15 Ų1560.6 Ų60.67%0.06633%0.327CS..  trans-72.5129.1177.6-176.9-129.4000111.8M54 A76 G83 F85 W87 L98M54-F81 HydrophobicContact CG-CD1 3.87Å; M54-F81 HydrophobicContact CG-CE1 4.39Å; A76-F81 HydrophobicContact CB-CB 4.06Å; A76-F81 HydrophobicContact CB-CD1 4.07Å; A76-F81 WeakPolarHBondContact O-CB 3.4Å; A76-F81 PolarHBondContact O-N 3.32Å; F81-G83 VanDerWaalsContact CE1-CA 3.5Å; F81-G83 VanDerWaalsContact CZ-CA 3.45Å; F81-F85 HydrophobicContact CE2-CB 3.82Å; F81-F85 HydrophobicContact CZ-CB 3.93Å; F81-W87 HydrophobicContact CZ-CZ2 4.33Å; F81-L98 HydrophobicContact CB-CD1 3.71Å; F81-L98 HydrophobicContact CD2-CD1 3.48Å; F81-L98 VanDerWaalsContact CD2-CD1 3.48Å; F81-L98 HydrophobicContact CD2-CD2 4.31Å; F81-L98 HydrophobicContact CD2-CG 4.45Å; F81-L98 HydrophobicContact CE2-CD1 4.29Å; F81-L98 HydrophobicContact CE2-CD2 4.31Å; F81-L98 HydrophobicContact CG-CD1 3.77Å
82D87Confident89.3Confident97 Ų9759.1 Ų59.152%0.51932%0.32SS..  trans-94.1-4.1-177.567.9-16000113.8N84D82-N84 WeakPolarHBondContact OD1-CB 3.37Å; D82-N84 PolarHBondContact OD1-N 3.08Å; D82-N84 PolarHBondContact OD2-ND2 3.21Å
83G87.7Confident89.1Confident0 Ų062.6 Ų62.60%035%0.349CS..SBendtrans86.52.3-176.600000114.8S51 K55 F81 F85S51-G83 WeakPolarHBondContact CB-O 3.49Å; S51-G83 PolarHBondContact OG-O 2.97Å; K55-G83 WeakPolarHBondContact CE-O 3.34Å; K55-G83 PolarHBondContact NZ-O 3.21Å; F81-G83 VanDerWaalsContact CE1-CA 3.5Å; F81-G83 VanDerWaalsContact CZ-CA 3.45Å; G83-F85 PolarHBondContact O-N 3.48Å
84N87.6Confident88.9Confident106 Ų10663.3 Ų63.357%0.56735%0.35SS*.  trans-96.570.6-177.3-64.6-40.4000111.5K55 D82K55-N84 VanDerWaalsContact CE-OD1 3.28Å; K55-N84 WeakPolarHBondContact CE-OD1 3.38Å; D82-N84 WeakPolarHBondContact OD1-CB 3.37Å; D82-N84 PolarHBondContact OD1-N 3.08Å; D82-N84 PolarHBondContact OD2-ND2 3.21Å
85F87.8Confident88.6Confident36 Ų3661.6 Ų61.616%0.15834%0.344CS..  trans-143.1138.6169.5-177.7-103.8000110V39 F81 G83 W87 A92 Y94 P95V39-F85 HydrophobicContact CG2-CE1 3.82Å; V39-F85 HydrophobicContact CG2-CZ 4.01Å; F81-F85 HydrophobicContact CE2-CB 3.82Å; F81-F85 HydrophobicContact CZ-CB 3.93Å; G83-F85 PolarHBondContact O-N 3.48Å; F85-W87 AromaticContact CD1-CD2 3.51Å; F85-W87 HydrophobicContact CD1-CD2 3.51Å; F85-W87 AromaticContact CD1-CE2 3.48Å; F85-W87 VanDerWaalsContact CD1-CE2 3.48Å; F85-W87 AromaticContact CD1-CE3 3.9Å; F85-W87 HydrophobicContact CD1-CE3 3.9Å; F85-W87 AromaticContact CD1-CG 3.96Å; F85-W87 HydrophobicContact CD1-CG 3.96Å; F85-W87 HydrophobicContact CD1-CH2 4.22Å; F85-W87 AromaticContact CD1-CZ2 3.85Å; F85-W87 HydrophobicContact CD1-CZ2 3.85Å; F85-W87 HydrophobicContact CD1-CZ3 4.24Å; F85-W87 AromaticContact CD1-NE1 3.85Å; F85-W87 AromaticContact CE1-CD2 3.76Å; F85-W87 HydrophobicContact CE1-CD2 3.76Å; F85-W87 AromaticContact CE1-CE3 3.69Å; F85-W87 HydrophobicContact CE1-CE3 3.69Å; F85-W87 HydrophobicContact CE1-CG 4.32Å; F85-W87 HydrophobicContact CE1-CH2 4.39Å; F85-W87 HydrophobicContact CE1-CZ2 4.45Å; F85-W87 HydrophobicContact CE1-CZ3 4.03Å; F85-A92 HydrophobicContact CZ-CB 4.48Å; F85-Y94 HydrophobicContact CE1-CD1 4.28Å; F85-Y94 HydrophobicContact CE1-CE1 4.26Å; F85-Y94 HydrophobicContact CZ-CD1 4.17Å; F85-P95 HydrophobicContact CD2-CG 4.12Å; F85-P95 HydrophobicContact CE2-CG 4.5Å
86V86.4Confident88.2Confident110 Ų11068.3 Ų68.367%0.66739%0.389SS*.  trans-96.1108.4-178.6-178.40000108.8N88V86-N88 HydrophobicContact CG1-CB 4.15Å; V86-N88 PolarHBondContact O-N 3.43Å
87W87.8Confident87.8Confident10 Ų1073.4 Ų73.44%0.03843%0.425CS..  trans-86.978.3-179.9-55.793.2000110.6V39 V44 G47 Q48 S51 F81 F85 Y94 M152V39-W87 HydrophobicContact CG1-CE3 4Å; V39-W87 HydrophobicContact CG1-CZ3 4.17Å; V39-W87 HydrophobicContact CG2-CE3 3.98Å; V39-W87 HydrophobicContact CG2-CZ3 3.95Å; V44-W87 HydrophobicContact CG1-CB 4.22Å; V44-W87 WeakPolarHBondContact CG1-O 3.31Å; V44-W87 WeakPolarHBondContact O-CB 3.38Å; G47-W87 VanDerWaalsContact CA-CD2 3.49Å; G47-W87 VanDerWaalsContact CA-CZ2 3.42Å; G47-W87 PolarHBondContact O-NE1 3.41Å; Q48-W87 HydrophobicContact CG-CB 3.63Å; Q48-W87 HydrophobicContact CG-CG 4.11Å; Q48-W87 PolarHBondContact NE2-O 2.75Å; S51-W87 PolarHBondContact OG-NE1 3.46Å; F81-W87 HydrophobicContact CZ-CZ2 4.33Å; F85-W87 AromaticContact CD1-CD2 3.51Å; F85-W87 HydrophobicContact CD1-CD2 3.51Å; F85-W87 AromaticContact CD1-CE2 3.48Å; F85-W87 VanDerWaalsContact CD1-CE2 3.48Å; F85-W87 AromaticContact CD1-CE3 3.9Å; F85-W87 HydrophobicContact CD1-CE3 3.9Å; F85-W87 AromaticContact CD1-CG 3.96Å; F85-W87 HydrophobicContact CD1-CG 3.96Å; F85-W87 HydrophobicContact CD1-CH2 4.22Å; F85-W87 AromaticContact CD1-CZ2 3.85Å; F85-W87 HydrophobicContact CD1-CZ2 3.85Å; F85-W87 HydrophobicContact CD1-CZ3 4.24Å; F85-W87 AromaticContact CD1-NE1 3.85Å; F85-W87 AromaticContact CE1-CD2 3.76Å; F85-W87 HydrophobicContact CE1-CD2 3.76Å; F85-W87 AromaticContact CE1-CE3 3.69Å; F85-W87 HydrophobicContact CE1-CE3 3.69Å; F85-W87 HydrophobicContact CE1-CG 4.32Å; F85-W87 HydrophobicContact CE1-CH2 4.39Å; F85-W87 HydrophobicContact CE1-CZ2 4.45Å; F85-W87 HydrophobicContact CE1-CZ3 4.03Å; W87-Y94 AromaticContact CH2-CE1 3.64Å; W87-Y94 HydrophobicContact CH2-CE1 3.64Å; W87-Y94 AromaticContact CZ3-CE1 3.59Å; W87-Y94 HydrophobicContact CZ3-CE1 3.59Å; W87-Y94 WeakPolarHBondContact CZ3-OH 3.43Å; W87-M152 HydrophobicContact CH2-CE 4.05Å; W87-M152 HydrophobicContact CZ3-CE 4.28Å
88N81.8Confident87.4Confident111 Ų11166.2 Ų66.259%0.59440%0.397SS*.  trans-104.4-29.7-172.658.9-6.4000114.8V86V86-N88 HydrophobicContact CG1-CB 4.15Å; V86-N88 PolarHBondContact O-N 3.43Å
89R87.7Confident87.4Confident168 Ų16862.4 Ų62.463%0.63438%0.381SS*.SBendtrans-149.5147.6-17568.6-175178.9-179.20.1113.1A92R89-A92 HydrophobicContact CG-CB 3.92Å; R89-A92 WeakPolarHBondContact O-CB 3.47Å; R89-A92 PolarHBondContact O-N 3.08Å
90I88.3Confident87.5Confident79 Ų7962.2 Ų62.241%0.40538%0.377SS..THydrogen-bonded Turntrans-63.1136.4165.8-56.5166.4000108.2F41 V44F41-I90 HydrophobicContact CB-CD1 4.38Å; F41-I90 HydrophobicContact CD2-CD1 3.83Å; F41-I90 HydrophobicContact CG-CD1 4.48Å; V44-I90 HydrophobicContact CG2-CG1 3.86Å
91G87.8Confident87.7Confident28 Ų2865.3 Ų65.329%0.28937%0.369SS..THydrogen-bonded Turntrans85.11.7-17700000114.9V39 A93V39-G91 PolarHBondContact O-N 2.72Å; G91-A93 PolarHBondContact O-N 3.11Å
92A89.2Confident87.9Confident7 Ų765.2 Ų65.26%0.05837%0.37CS..PPolyproline II helixtrans-61.5130.7169.700000110.4A38 V39 F85 R89A38-A92 CarbonylContact C-O 3.48Å; A38-A92 WeakPolarHBondContact CA-O 3.43Å; A38-A92 WeakPolarHBondContact CB-O 3.25Å; V39-A92 HydrophobicContact CB-CB 4.48Å; V39-A92 HydrophobicContact CG2-CB 4.09Å; V39-A92 PolarHBondContact N-O 3.42Å; F85-A92 HydrophobicContact CZ-CB 4.48Å; R89-A92 HydrophobicContact CG-CB 3.92Å; R89-A92 WeakPolarHBondContact O-CB 3.47Å; R89-A92 PolarHBondContact O-N 3.08Å
93A89.9Confident88.1Confident75 Ų7560.7 Ų60.762%0.6235%0.346SS*.BIsolated β-bridgetrans-72.6138177.900000110.8G91G91-A93 PolarHBondContact O-N 3.11Å
94Y89.1Confident88.5Confident21 Ų2160.7 Ų60.78%0.08235%0.346CS..PPolyproline II helixtrans-72.8142.7173-70.5-67.2000110.6G37 A38 V39 E43 F85 W87 L98 V100 L103G37-Y94 PolarHBondContact O-N 3.36Å; G37-Y94 VanDerWaalsContact O-N 3.12Å; A38-Y94 WeakPolarHBondContact O-CE2 3.35Å; V39-Y94 HydrophobicContact CG2-CD1 4.31Å; V39-Y94 HydrophobicContact CG2-CE1 3.7Å; V39-Y94 HydrophobicContact CG2-CE2 4.32Å; E43-Y94 PolarHBondContact OE2-OH 2.93Å; F85-Y94 HydrophobicContact CE1-CD1 4.28Å; F85-Y94 HydrophobicContact CE1-CE1 4.26Å; F85-Y94 HydrophobicContact CZ-CD1 4.17Å; W87-Y94 AromaticContact CH2-CE1 3.64Å; W87-Y94 HydrophobicContact CH2-CE1 3.64Å; W87-Y94 AromaticContact CZ3-CE1 3.59Å; W87-Y94 HydrophobicContact CZ3-CE1 3.59Å; W87-Y94 WeakPolarHBondContact CZ3-OH 3.43Å; Y94-L98 HydrophobicContact CD1-CD2 3.6Å; Y94-L98 HydrophobicContact CE1-CD2 4.11Å; Y94-L98 HydrophobicContact CG-CD2 4.42Å; Y94-V100 HydrophobicContact CD2-CB 4.36Å; Y94-V100 HydrophobicContact CD2-CG1 4.09Å; Y94-V100 HydrophobicContact CD2-CG2 3.34Å; Y94-V100 HydrophobicContact CE2-CG1 4.04Å; Y94-V100 HydrophobicContact CE2-CG2 4.08Å; Y94-V100 HydrophobicContact CG-CG2 3.65Å; Y94-L103 HydrophobicContact CE1-CD1 4.4Å
95P87.6Confident88.8Confident49 Ų4957.5 Ų57.532%0.31833%0.329SS..PPolyproline II helixtrans-69.1152.8175.730.3-34.5000110.6F85 S97 L98F85-P95 HydrophobicContact CD2-CG 4.12Å; F85-P95 HydrophobicContact CE2-CG 4.5Å; P95-S97 PolarHBondContact O-N 2.94Å; P95-S97 VanDerWaalsContact O-N 3.07Å; P95-L98 HydrophobicContact CG-CB 3.96Å; P95-L98 PolarHBondContact O-N 3.47Å
96C82.6Confident89.2Confident146 Ų14658.1 Ų58.199%0.98633%0.333SS*.THydrogen-bonded Turntrans-60.8-20.8-179.4-590000113.9L98C96-L98 VanDerWaalsContact C-N 3.3Å
97S82.8Confident89.6Confident107 Ų10752.9 Ų52.975%0.74830%0.302SS*.THydrogen-bonded Turntrans-73.9-18.9176.752.10000113.6P95P95-S97 PolarHBondContact O-N 2.94Å; P95-S97 VanDerWaalsContact O-N 3.07Å
98L85.8Confident90Very high13 Ų1352.4 Ų52.47%0.06830%0.3CS..SBendtrans-100.3120.9-174.2-178.158.7000111.3F81 Y94 P95 C96 V100 L103F81-L98 HydrophobicContact CB-CD1 3.71Å; F81-L98 HydrophobicContact CD2-CD1 3.48Å; F81-L98 VanDerWaalsContact CD2-CD1 3.48Å; F81-L98 HydrophobicContact CD2-CD2 4.31Å; F81-L98 HydrophobicContact CD2-CG 4.45Å; F81-L98 HydrophobicContact CE2-CD1 4.29Å; F81-L98 HydrophobicContact CE2-CD2 4.31Å; F81-L98 HydrophobicContact CG-CD1 3.77Å; Y94-L98 HydrophobicContact CD1-CD2 3.6Å; Y94-L98 HydrophobicContact CE1-CD2 4.11Å; Y94-L98 HydrophobicContact CG-CD2 4.42Å; P95-L98 HydrophobicContact CG-CB 3.96Å; P95-L98 PolarHBondContact O-N 3.47Å; C96-L98 VanDerWaalsContact C-N 3.3Å; L98-V100 PolarHBondContact O-N 2.87Å; L98-V100 VanDerWaalsContact O-N 3.08Å; L98-L103 HydrophobicContact CD1-CD1 4.1Å; L98-L103 HydrophobicContact CD1-CG 4.47Å; L98-L103 HydrophobicContact CD2-CD1 3.94Å; L98-L103 HydrophobicContact CG-CD1 4.03Å
99S90.4Very high90.8Very high51 Ų5149.7 Ų49.736%0.35729%0.285SS..  trans-77.395174.8179.70000111.4W101 S102 L103S99-W101 PolarHBondContact O-N 3.42Å; S99-S102 WeakPolarHBondContact CB-OG 3.38Å; S99-S102 PolarHBondContact O-N 3.02Å; S99-S102 VanDerWaalsContact O-N 3.07Å; S99-S102 PolarHBondContact O-OG 2.72Å; S99-S102 PolarHBondContact OG-N 2.73Å; S99-L103 PolarHBondContact O-N 3.35Å
100V91.5Very high91.2Very high16 Ų1642 Ų4210%0.09726%0.257CS..Hα-helixtrans-54.3-35.7174.3-176.50000111.8Y94 L98 S102 L103 R104Y94-V100 HydrophobicContact CD2-CB 4.36Å; Y94-V100 HydrophobicContact CD2-CG1 4.09Å; Y94-V100 HydrophobicContact CD2-CG2 3.34Å; Y94-V100 HydrophobicContact CE2-CG1 4.04Å; Y94-V100 HydrophobicContact CE2-CG2 4.08Å; Y94-V100 HydrophobicContact CG-CG2 3.65Å; L98-V100 PolarHBondContact O-N 2.87Å; L98-V100 VanDerWaalsContact O-N 3.08Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 3.49Å; V100-L103 PolarHBondContact O-N 2.95Å; V100-R104 PolarHBondContact O-N 3.45Å
101W93.6Very high91.5Very high126 Ų12638.4 Ų38.448%0.47724%0.241SC..Hα-helixtrans-60.7-43.5178.6-170.195.5000111.8L33 S99 L103 R104 L105L33-W101 HydrophobicContact CB-CG 4.39Å; S99-W101 PolarHBondContact O-N 3.42Å; W101-L103 PolarHBondContact O-N 3.42Å; W101-R104 PolarHBondContact O-N 3.27Å; W101-L105 HydrophobicContact CE3-CB 4.36Å; W101-L105 HydrophobicContact CE3-CD2 4.3Å; W101-L105 HydrophobicContact CH2-CD1 3.37Å; W101-L105 HydrophobicContact CH2-CD2 3.62Å; W101-L105 HydrophobicContact CH2-CG 3.99Å; W101-L105 HydrophobicContact CZ2-CD1 3.58Å; W101-L105 HydrophobicContact CZ3-CB 4.25Å; W101-L105 HydrophobicContact CZ3-CD1 3.9Å; W101-L105 HydrophobicContact CZ3-CD2 3.44Å; W101-L105 VanDerWaalsContact CZ3-CD2 3.44Å; W101-L105 HydrophobicContact CZ3-CG 4.04Å; W101-L105 WeakPolarHBondContact O-CB 3.4Å; W101-L105 PolarHBondContact O-N 2.96Å
102S93.1Very high92Very high13 Ų1337.1 Ų37.19%0.09123%0.227CC..Hα-helixtrans-65.1-36.4179.668.80000113.3G79 S99 V100 R104G79-S102 VanDerWaalsContact CA-OG 3.24Å; G79-S102 WeakPolarHBondContact CA-OG 3.48Å; S99-S102 WeakPolarHBondContact CB-OG 3.38Å; S99-S102 PolarHBondContact O-N 3.02Å; S99-S102 VanDerWaalsContact O-N 3.07Å; S99-S102 PolarHBondContact O-OG 2.72Å; S99-S102 PolarHBondContact OG-N 2.73Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 3.49Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 2.75Å
103L92.1Very high92.4Very high2 Ų240 Ų401%0.0124%0.241CC..Hα-helixtrans-64.7-39.1178.3-63.9176.5000112L50 A76 Y94 L98 S99 V100 W101 M152L50-L103 HydrophobicContact CD2-CD2 3.97Å; A76-L103 HydrophobicContact CB-CD2 3.36Å; Y94-L103 HydrophobicContact CE1-CD1 4.4Å; L98-L103 HydrophobicContact CD1-CD1 4.1Å; L98-L103 HydrophobicContact CD1-CG 4.47Å; L98-L103 HydrophobicContact CD2-CD1 3.94Å; L98-L103 HydrophobicContact CG-CD1 4.03Å; S99-L103 PolarHBondContact O-N 3.35Å; V100-L103 PolarHBondContact O-N 2.95Å; W101-L103 PolarHBondContact O-N 3.42Å; L103-M152 HydrophobicContact CB-SD 4.18Å; L103-M152 HydrophobicContact CD2-SD 4.27Å
104R95.3Very high92.7Very high1 Ų136.9 Ų36.90%0.00421%0.214CC..Hα-helixtrans-91.9-12.8-174.7-66.5176.1174.8165.52.8113.7L33 P36 A38 E43 V100 W101 S102 A108 R150L33-R104 HydrophobicContact CD2-CB 3.93Å; L33-R104 WeakPolarHBondContact O-CD 3.36Å; L33-R104 PolarHBondContact O-NH1 3.47Å; L33-R104 VanDerWaalsContact O-NH1 3.09Å; P36-R104 PolarHBondContact O-NH1 2.83Å; P36-R104 PolarHBondContact O-NH2 3.34Å; A38-R104 PolarHBondContact O-NH2 2.89Å; E43-R104 IonicContact OE1-CZ 3.79Å; E43-R104 IonicContact OE1-NE 2.88Å; E43-R104 PolarHBondContact OE1-NE 2.82Å; E43-R104 IonicContact OE1-NH2 3.96Å; E43-R104 PolarHBondContact OE1-NH2 3.16Å; E43-R104 IonicContact OE2-CZ 3.43Å; E43-R104 IonicContact OE2-NE 2.6Å; E43-R104 IonicContact OE2-NH2 2.86Å; E43-R104 PolarHBondContact OE2-NH2 3.39Å; V100-R104 PolarHBondContact O-N 3.45Å; W101-R104 PolarHBondContact O-N 3.27Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 2.75Å; R104-A108 VanDerWaalsContact O-CB 3.25Å; R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 3.28Å; R104-A108 VanDerWaalsContact O-N 3.13Å; R104-R150 WeakPolarHBondContact CB-O 3.27Å; R104-R150 VanDerWaalsContact CD-O 3.27Å; R104-R150 WeakPolarHBondContact CD-O 3.49Å; R104-R150 WeakPolarHBondContact CG-O 3.29Å
105L95.4Very high93.1Very high38 Ų3835.9 Ų35.920%0.19921%0.211CC..Hα-helixtrans-59.8-51.4-174.1179.364.6000113.3L30 W101 A108 L109L30-L105 HydrophobicContact CD2-CD1 3.87Å; W101-L105 HydrophobicContact CE3-CB 4.36Å; W101-L105 HydrophobicContact CE3-CD2 4.3Å; W101-L105 HydrophobicContact CH2-CD1 3.37Å; W101-L105 HydrophobicContact CH2-CD2 3.62Å; W101-L105 HydrophobicContact CH2-CG 3.99Å; W101-L105 HydrophobicContact CZ2-CD1 3.58Å; W101-L105 HydrophobicContact CZ3-CB 4.25Å; W101-L105 HydrophobicContact CZ3-CD1 3.9Å; W101-L105 HydrophobicContact CZ3-CD2 3.44Å; W101-L105 VanDerWaalsContact CZ3-CD2 3.44Å; W101-L105 HydrophobicContact CZ3-CG 4.04Å; W101-L105 WeakPolarHBondContact O-CB 3.4Å; W101-L105 PolarHBondContact O-N 2.96Å; L105-A108 PolarHBondContact O-N 3.06Å; L105-L109 HydrophobicContact CD1-CD1 3.84Å; L105-L109 HydrophobicContact CD1-CD2 4.43Å; L105-L109 HydrophobicContact CD1-CG 3.88Å; L105-L109 HydrophobicContact CD2-CD1 4.26Å; L105-L109 HydrophobicContact CG-CD1 3.73Å; L105-L109 HydrophobicContact CG-CG 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.43Å
106L94.9Very high93.5Very high49 Ų4934 Ų3426%0.25720%0.199SC..Hα-helixtrans-64.7-47.7-173.2-72.9172.8000112.4L71 A108 L109 G110L71-L106 WeakPolarHBondContact O-CD1 3.26Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 2.87Å; L106-G110 PolarHBondContact O-N 3.35Å
107P95.6Very high94.2Very high0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-56-41.5169.9-29.838.8000113.4L72 G110 G111 S149 F151 S156L72-P107 HydrophobicContact CD2-CG 3.44Å; L72-P107 VanDerWaalsContact CD2-CG 3.44Å; P107-G110 PolarHBondContact O-N 3.18Å; P107-G111 PolarHBondContact O-N 3.12Å; P107-S149 CarbonylContact C-O 3.57Å; P107-S149 WeakPolarHBondContact CB-O 3.34Å; P107-F151 VanDerWaalsContact CB-O 3.24Å; P107-F151 WeakPolarHBondContact CB-O 3.28Å; P107-S156 WeakPolarHBondContact CA-OG 3.48Å; P107-S156 WeakPolarHBondContact CB-OG 3.05Å; P107-S156 WeakPolarHBondContact O-CB 3.44Å; P107-S156 PolarHBondContact O-OG 3.37Å
108A96.6Very high94.8Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-68.5-39.4-17800000112.1L30 L33 R104 L105 L106 A112 S149L30-A108 HydrophobicContact CD2-CB 3.87Å; L33-A108 HydrophobicContact CD1-CB 4.13Å; L33-A108 HydrophobicContact CD2-CB 3.69Å; R104-A108 VanDerWaalsContact O-CB 3.25Å; R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 3.28Å; R104-A108 VanDerWaalsContact O-N 3.13Å; L105-A108 PolarHBondContact O-N 3.06Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.43Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.11Å; A108-S149 WeakPolarHBondContact CA-O 3.33Å; A108-S149 PolarHBondContact N-O 2.86Å
109L96.6Very high95.4Very high55 Ų5522 Ų2229%0.28812%0.116SC..Hα-helixtrans-64-45.5172.3-72.6173.9000111.5L26 L30 L105 L106 G111 A112 L113L26-L109 HydrophobicContact CD2-CD2 4.05Å; L30-L109 HydrophobicContact CD1-CD2 4.07Å; L30-L109 HydrophobicContact CD2-CD2 4.09Å; L30-L109 HydrophobicContact CD2-CG 4.33Å; L105-L109 HydrophobicContact CD1-CD1 3.84Å; L105-L109 HydrophobicContact CD1-CD2 4.43Å; L105-L109 HydrophobicContact CD1-CG 3.88Å; L105-L109 HydrophobicContact CD2-CD1 4.26Å; L105-L109 HydrophobicContact CG-CD1 3.73Å; L105-L109 HydrophobicContact CG-CG 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 2.87Å; L109-G111 PolarHBondContact O-N 3.14Å; L109-A112 PolarHBondContact O-N 2.94Å; L109-A112 VanDerWaalsContact O-N 3.14Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 3.29Å
110G96.3Very high95.6Very high5 Ų521.8 Ų21.85%0.05211%0.111CC..Hα-helixtrans-56.1-51.4175.300000111.3L106 P107 A112 L113 C114L106-G110 PolarHBondContact O-N 3.35Å; P107-G110 PolarHBondContact O-N 3.18Å; G110-A112 VanDerWaalsContact C-N 3.28Å; G110-A112 PolarHBondContact O-N 2.96Å; G110-L113 PolarHBondContact O-N 2.81Å; G110-C114 PolarHBondContact O-N 2.94Å; G110-C114 PolarHBondContact O-SG 2.73Å
111G96.2Very high95.8Very high5 Ų521.1 Ų21.15%0.05211%0.107CC..Hα-helixtrans-61.2-33.517600000113.8R29 P107 L109 C114R29-G111 VanDerWaalsContact CD-C 3.42Å; R29-G111 WeakPolarHBondContact CD-O 3.4Å; R29-G111 VanDerWaalsContact NE-C 3.3Å; R29-G111 PolarHBondContact NE-O 3.48Å; P107-G111 PolarHBondContact O-N 3.12Å; L109-G111 PolarHBondContact O-N 3.14Å; G111-C114 WeakPolarHBondContact O-CB 3.4Å; G111-C114 PolarHBondContact O-N 2.69Å
112A97.1Very high96Very high1 Ų115.1 Ų15.11%0.0088%0.084CC..Hα-helixtrans-72.2-37.3179.600000112S25 L26 R29 A108 L109 G110 C114 P116S25-A112 WeakPolarHBondContact CB-O 3.37Å; S25-A112 VanDerWaalsContact OG-CA 3.28Å; S25-A112 WeakPolarHBondContact OG-CA 3.4Å; S25-A112 PolarHBondContact OG-O 2.95Å; L26-A112 HydrophobicContact CD2-CB 3.86Å; L26-A112 HydrophobicContact CG-CB 4.4Å; R29-A112 HydrophobicContact CB-CB 4.3Å; R29-A112 VanDerWaalsContact CD-N 3.29Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.11Å; L109-A112 PolarHBondContact O-N 2.94Å; L109-A112 VanDerWaalsContact O-N 3.14Å; G110-A112 VanDerWaalsContact C-N 3.28Å; G110-A112 PolarHBondContact O-N 2.96Å; A112-C114 VanDerWaalsContact C-N 3.31Å; A112-P116 WeakPolarHBondContact O-CD 3.49Å
113L97.2Very high96.1Very high68 Ų6816.4 Ų16.436%0.3569%0.09SC..Hα-helixtrans-75.7-17.7177.4-64.6175.2000113.1L109 G110 V115 P116 L117 F160L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 3.29Å; G110-L113 PolarHBondContact O-N 2.81Å; L113-V115 PolarHBondContact O-N 3.3Å; L113-P116 VanDerWaalsContact O-CD 3.27Å; L113-P116 WeakPolarHBondContact O-CD 3.35Å; L113-P116 WeakPolarHBondContact O-CG 3.46Å; L113-L117 WeakPolarHBondContact O-CB 3.17Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.95Å; L113-L117 VanDerWaalsContact O-N 3.15Å; L113-F160 HydrophobicContact CB-CD2 3.73Å; L113-F160 HydrophobicContact CB-CE2 3.52Å; L113-F160 HydrophobicContact CD1-CE2 3.84Å; L113-F160 HydrophobicContact CD1-CZ 4.19Å; L113-F160 HydrophobicContact CG-CE2 4.35Å
114C96.9Very high96.2Very high8 Ų817.2 Ų17.25%0.0549%0.093CC..Hα-helixtrans-58.3-36.1171.9-67.20000112.9G110 G111 A112 L117 G118 F160 L163G110-C114 PolarHBondContact O-N 2.94Å; G110-C114 PolarHBondContact O-SG 2.73Å; G111-C114 WeakPolarHBondContact O-CB 3.4Å; G111-C114 PolarHBondContact O-N 2.69Å; A112-C114 VanDerWaalsContact C-N 3.31Å; C114-L117 PolarHBondContact O-N 3.35Å; C114-G118 PolarHBondContact O-N 3.48Å; C114-F160 VanDerWaalsContact SG-CA 3.53Å; C114-L163 HydrophobicContact CB-CD1 3.96Å
115V97.1Very high96.1Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-65.4-55.3-177.8-176.50000112.4V21 S25 L113 L117 G118 Y119 A136 L139 L140V21-V115 HydrophobicContact CG1-CG1 3.52Å; S25-V115 WeakPolarHBondContact OG-CB 3.39Å; S25-V115 WeakPolarHBondContact OG-CG2 3.44Å; L113-V115 PolarHBondContact O-N 3.3Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.93Å; V115-G118 PolarHBondContact O-N 2.86Å; V115-Y119 PolarHBondContact O-N 3.49Å; V115-Y119 VanDerWaalsContact O-N 3.16Å; V115-A136 HydrophobicContact CG1-CB 4.07Å; V115-A136 WeakPolarHBondContact CG1-O 3.39Å; V115-L139 HydrophobicContact CG2-CB 4.17Å; V115-L140 HydrophobicContact CG1-CB 4.13Å
116P96.9Very high96Very high10 Ų1023.5 Ų23.57%0.06512%0.115CC..Hα-helixtrans-65.3-30175.225.1-33.6000112.9L18 T22 A112 L113 G118 Y119 L120L18-P116 HydrophobicContact CD1-CB 3.62Å; T22-P116 HydrophobicContact CG2-CG 4.39Å; T22-P116 WeakPolarHBondContact OG1-CB 3.29Å; A112-P116 WeakPolarHBondContact O-CD 3.49Å; L113-P116 VanDerWaalsContact O-CD 3.27Å; L113-P116 WeakPolarHBondContact O-CD 3.35Å; L113-P116 WeakPolarHBondContact O-CG 3.46Å; P116-G118 VanDerWaalsContact C-N 3.34Å; P116-Y119 WeakPolarHBondContact O-CB 3.48Å; P116-Y119 PolarHBondContact O-N 3.4Å; P116-L120 VanDerWaalsContact O-CG 3.31Å; P116-L120 WeakPolarHBondContact O-CG 3.25Å; P116-L120 PolarHBondContact O-N 2.72Å
117L96.7Very high95.9Very high15 Ų1521.8 Ų21.88%0.07911%0.107CC..Hα-helixtrans-63.7-40171.9-75.5173.3000112.1L113 C114 V115 Y119 L120 L121 F160 L163 L164 F167L113-L117 WeakPolarHBondContact O-CB 3.17Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.95Å; L113-L117 VanDerWaalsContact O-N 3.15Å; C114-L117 PolarHBondContact O-N 3.35Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.93Å; L117-Y119 VanDerWaalsContact C-N 3.35Å; L117-Y119 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 2.85Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.26Å; L117-L121 PolarHBondContact O-N 3.28Å; L117-F160 HydrophobicContact CD1-CD2 3.61Å; L117-F160 HydrophobicContact CD1-CE2 3.61Å; L117-L163 HydrophobicContact CB-CB 4.26Å; L117-L163 HydrophobicContact CD1-CB 4.31Å; L117-L164 HydrophobicContact CD1-CB 4.04Å; L117-L164 HydrophobicContact CD2-CD1 3.94Å; L117-F167 HydrophobicContact CD2-CB 4.33Å; L117-F167 HydrophobicContact CD2-CD1 3.98Å; L117-F167 HydrophobicContact CD2-CG 4.22Å
118G96.3Very high95.8Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-60.5-42.7173.400000112.6C114 V115 P116 L121 I122C114-G118 PolarHBondContact O-N 3.48Å; V115-G118 PolarHBondContact O-N 2.86Å; P116-G118 VanDerWaalsContact C-N 3.34Å; G118-L121 PolarHBondContact O-N 2.9Å; G118-I122 WeakPolarHBondContact O-CG1 3.39Å; G118-I122 PolarHBondContact O-N 3.38Å
119Y96.8Very high95.6Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-57.3-51.8173.1-177.3-90.3000111.6D15 V17 L18 V115 P116 L117 L121 I122 L123 H129 A132 L133 A136D15-Y119 PolarHBondContact OD2-OH 3Å; V17-Y119 HydrophobicContact CG1-CE2 3.86Å; L18-Y119 HydrophobicContact CB-CD1 4.43Å; L18-Y119 HydrophobicContact CB-CE1 4.25Å; L18-Y119 HydrophobicContact CD1-CD1 3.81Å; L18-Y119 HydrophobicContact CD1-CE1 4.45Å; L18-Y119 HydrophobicContact CD1-CG 4.3Å; V115-Y119 PolarHBondContact O-N 3.49Å; V115-Y119 VanDerWaalsContact O-N 3.16Å; P116-Y119 WeakPolarHBondContact O-CB 3.48Å; P116-Y119 PolarHBondContact O-N 3.4Å; L117-Y119 VanDerWaalsContact C-N 3.35Å; L117-Y119 PolarHBondContact O-N 3.11Å; Y119-L121 PolarHBondContact O-N 3.5Å; Y119-I122 PolarHBondContact O-N 3.03Å; Y119-L123 HydrophobicContact CD1-CD1 3.9Å; Y119-L123 HydrophobicContact CD1-CG 4.49Å; Y119-L123 HydrophobicContact CE1-CD1 3.39Å; Y119-L123 HydrophobicContact CE1-CG 4.21Å; Y119-L123 PolarHBondContact O-N 3.32Å; Y119-H129 AromaticContact CZ-ND1 3.91Å; Y119-H129 PolarHBondContact OH-ND1 3.42Å; Y119-A132 HydrophobicContact CD1-CB 4.39Å; Y119-A132 HydrophobicContact CD2-CB 3.54Å; Y119-A132 WeakPolarHBondContact CD2-O 3.37Å; Y119-A132 HydrophobicContact CE1-CB 4.43Å; Y119-A132 HydrophobicContact CE2-CB 3.55Å; Y119-A132 HydrophobicContact CG-CB 3.97Å; Y119-A132 WeakPolarHBondContact O-CB 3.27Å; Y119-L133 HydrophobicContact CE2-CB 4.38Å; Y119-A136 HydrophobicContact CD2-CB 4.3Å
120L96.2Very high95.5Very high46 Ų4632.9 Ų32.924%0.24117%0.166CC..Hα-helixtrans-65.6-36.8-177.5-70172.7000112.6L18 P116 L117 I122 L123 E124 F167L18-L120 HydrophobicContact CD1-CD2 4.45Å; L18-L120 HydrophobicContact CD1-CG 4.22Å; L18-L120 HydrophobicContact CD2-CD2 3.95Å; L18-L120 HydrophobicContact CD2-CG 4.43Å; P116-L120 VanDerWaalsContact O-CG 3.31Å; P116-L120 WeakPolarHBondContact O-CG 3.25Å; P116-L120 PolarHBondContact O-N 2.72Å; L117-L120 PolarHBondContact O-N 2.85Å; L120-I122 PolarHBondContact O-N 2.87Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-E124 WeakPolarHBondContact O-CG 3.49Å; L120-E124 PolarHBondContact O-N 3.37Å; L120-F167 HydrophobicContact CB-CD2 3.8Å; L120-F167 HydrophobicContact CB-CE2 3.55Å; L120-F167 HydrophobicContact CB-CZ 4.21Å; L120-F167 HydrophobicContact CD1-CE1 4.46Å; L120-F167 HydrophobicContact CD1-CE2 4.22Å; L120-F167 HydrophobicContact CD1-CZ 4.01Å; L120-F167 HydrophobicContact CG-CE2 4.36Å
121L96Very high95.4Very high1 Ų133 Ų331%0.00517%0.166CC..Hα-helixtrans-59.5-43.5175.9-87.6167.7000112.6L117 G118 Y119 L123 E124 L125 L163 F166 F167 L170 L649L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.26Å; L117-L121 PolarHBondContact O-N 3.28Å; G118-L121 PolarHBondContact O-N 2.9Å; Y119-L121 PolarHBondContact O-N 3.5Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.16Å; L121-E124 PolarHBondContact O-N 3.35Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.01Å; L121-L163 HydrophobicContact CD1-CB 4.08Å; L121-L163 HydrophobicContact CD1-CD2 3.69Å; L121-L163 HydrophobicContact CD1-CG 4.44Å; L121-F166 HydrophobicContact CD2-CB 4.02Å; L121-F167 VanDerWaalsContact CD2-CA 3.49Å; L121-F167 HydrophobicContact CD2-CB 3.9Å; L121-F167 HydrophobicContact CG-CB 3.99Å; L121-L170 HydrophobicContact CD2-CD1 4Å; L121-L649 HydrophobicContact CD1-CD1 4.03Å
122I96.1Very high95.4Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-65.3-37.7178.5-65.5-65.7000111.3G118 Y119 L120 L125 R126 C127 A132 A135 L649G118-I122 WeakPolarHBondContact O-CG1 3.39Å; G118-I122 PolarHBondContact O-N 3.38Å; Y119-I122 PolarHBondContact O-N 3.03Å; L120-I122 PolarHBondContact O-N 2.87Å; I122-L125 HydrophobicContact CD1-CD1 4.24Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 PolarHBondContact O-N 2.9Å; I122-R126 PolarHBondContact O-N 3.24Å; I122-C127 HydrophobicContact CG2-CB 3.46Å; I122-C127 VanDerWaalsContact CG2-CB 3.46Å; I122-C127 WeakPolarHBondContact O-CB 3.18Å; I122-C127 PolarHBondContact O-N 2.74Å; I122-A132 HydrophobicContact CB-CB 3.99Å; I122-A132 HydrophobicContact CG2-CB 3.9Å; I122-A135 HydrophobicContact CD1-CB 4.36Å; I122-A135 HydrophobicContact CG1-CB 3.7Å; I122-L649 HydrophobicContact CD1-CB 3.96Å; I122-L649 HydrophobicContact CD1-CD2 4.16Å; I122-L649 WeakPolarHBondContact CD1-O 3.25Å; I122-L649 HydrophobicContact CG1-CD2 4.07Å
123L95Very high95.3Very high41 Ų4135.4 Ų35.422%0.21518%0.177CC..Hα-helixtrans-64.8-40.6173.5-66.6-178.5000112Y119 L120 L121 L125 R126 A132Y119-L123 HydrophobicContact CD1-CD1 3.9Å; Y119-L123 HydrophobicContact CD1-CG 4.49Å; Y119-L123 HydrophobicContact CE1-CD1 3.39Å; Y119-L123 HydrophobicContact CE1-CG 4.21Å; Y119-L123 PolarHBondContact O-N 3.32Å; L120-L123 PolarHBondContact O-N 3.28Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.16Å; L123-L125 VanDerWaalsContact C-N 3.25Å; L123-L125 PolarHBondContact O-N 2.91Å; L123-R126 WeakPolarHBondContact O-CA 3.44Å; L123-R126 PolarHBondContact O-N 2.95Å; L123-A132 HydrophobicContact CD2-CB 3.91Å; L123-A132 HydrophobicContact CG-CB 3.94Å
124E94.7Very high95.3Very high19 Ų1932.9 Ų32.99%0.08917%0.167CC..Hα-helixtrans-67.6-25175-69.6-58.3149.400113L120 L121 R126 F167 L170 R171 N174L120-E124 WeakPolarHBondContact O-CG 3.49Å; L120-E124 PolarHBondContact O-N 3.37Å; L121-E124 PolarHBondContact O-N 3.35Å; E124-R126 PolarHBondContact O-N 3.47Å; E124-F167 HydrophobicContact CG-CD2 3.99Å; E124-F167 HydrophobicContact CG-CE2 3.84Å; E124-L170 HydrophobicContact CB-CB 3.84Å; E124-L170 HydrophobicContact CB-CD1 4.21Å; E124-L170 HydrophobicContact CG-CB 4.47Å; E124-R171 WeakPolarHBondContact OE1-CD 3.5Å; E124-R171 IonicContact OE1-CZ 3.57Å; E124-R171 IonicContact OE1-NE 3.69Å; E124-R171 IonicContact OE1-NH1 2.69Å; E124-R171 PolarHBondContact OE1-NH1 3.45Å; E124-N174 PolarHBondContact O-ND2 3.43Å; E124-N174 PolarHBondContact OE2-ND2 3.24Å
125L93.5Very high95.2Very high8 Ų832.5 Ų32.54%0.04216%0.164CC..THydrogen-bonded Turntrans-75.13.9168-71.3169.9000113.5L121 I122 L123 C127 L170 V613 L616L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.01Å; I122-L125 HydrophobicContact CD1-CD1 4.24Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 PolarHBondContact O-N 2.9Å; L123-L125 VanDerWaalsContact C-N 3.25Å; L123-L125 PolarHBondContact O-N 2.91Å; L125-C127 VanDerWaalsContact C-N 3.28Å; L125-C127 PolarHBondContact O-N 3.48Å; L125-L170 HydrophobicContact CD2-CD1 4.08Å; L125-L170 HydrophobicContact CG-CD1 4.2Å; L125-V613 HydrophobicContact CB-CG2 4.48Å; L125-V613 HydrophobicContact CD1-CG2 4.34Å; L125-L616 HydrophobicContact CD1-CD2 4.09Å; L125-L616 HydrophobicContact CD2-CD2 3.95Å; L125-L616 HydrophobicContact CG-CD2 4.31Å
126R93.1Very high95.2Very high162 Ų16232.5 Ų32.561%0.61116%0.164SC*.THydrogen-bonded Turntrans63.628.9-179.7-49.9-176.9-179-173.10113.9I122 L123 E124 N174 R609I122-R126 PolarHBondContact O-N 3.24Å; L123-R126 WeakPolarHBondContact O-CA 3.44Å; L123-R126 PolarHBondContact O-N 2.95Å; E124-R126 PolarHBondContact O-N 3.47Å; R126-N174 PolarHBondContact NH2-OD1 2.55Å; R126-R609 PolarHBondContact O-NE 3.43Å; R126-R609 PolarHBondContact O-NH1 3.3Å
127C92.4Very high95.2Very high14 Ų1434.4 Ų34.410%0.09517%0.174CC..  trans-85.5168.3168.5-66.70000110.9I122 L125I122-C127 HydrophobicContact CG2-CB 3.46Å; I122-C127 VanDerWaalsContact CG2-CB 3.46Å; I122-C127 WeakPolarHBondContact O-CB 3.18Å; I122-C127 PolarHBondContact O-N 2.74Å; L125-C127 VanDerWaalsContact C-N 3.28Å; L125-C127 PolarHBondContact O-N 3.48Å
128S93.9Very high95.2Very high45 Ų4534.2 Ų34.232%0.31517%0.173SC..  trans-72.2158.8179.268.90000113.2L130 S131 A132 E656S128-L130 PolarHBondContact O-N 3.01Å; S128-S131 PolarHBondContact O-N 3.33Å; S128-S131 PolarHBondContact OG-N 3.24Å; S128-S131 PolarHBondContact OG-OG 3.36Å; S128-A132 PolarHBondContact O-N 2.83Å; S128-E656 WeakPolarHBondContact CB-OE2 3.24Å; S128-E656 PolarHBondContact N-OE1 3.46Å; S128-E656 PolarHBondContact N-OE2 3.02Å; S128-E656 PolarHBondContact OG-OE2 3.3Å
129H93.3Very high95.3Very high111 Ų11134.3 Ų34.351%0.51417%0.173SC..Hα-helixtrans-59.8-27.9173.1-72.8-89.5000113.1D15 Y119 A132 L133D15-H129 IonicContact OD2-CE1 2.85Å; D15-H129 IonicContact OD2-ND1 3.55Å; Y119-H129 AromaticContact CZ-ND1 3.91Å; Y119-H129 PolarHBondContact OH-ND1 3.42Å; H129-A132 PolarHBondContact O-N 2.93Å; H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.73Å
130L93.3Very high95.3Very high132 Ų13234.8 Ų34.869%0.69118%0.176SC*.Hα-helixtrans-67.6-43.5176.3-168.9105.3000111S128 A132 L133 G134S128-L130 PolarHBondContact O-N 3.01Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-L133 PolarHBondContact O-N 3.13Å; L130-G134 PolarHBondContact O-N 3.43Å
131S94.4Very high95.3Very high7 Ų733.6 Ų33.65%0.04917%0.17CC..Hα-helixtrans-67.1-38.3175.6-58.10000111.8S128 L133 G134 A135 P652 E656S128-S131 PolarHBondContact O-N 3.33Å; S128-S131 PolarHBondContact OG-N 3.24Å; S128-S131 PolarHBondContact OG-OG 3.36Å; S131-L133 VanDerWaalsContact C-N 3.34Å; S131-G134 PolarHBondContact O-N 3.14Å; S131-A135 PolarHBondContact O-N 3.32Å; S131-P652 VanDerWaalsContact O-CB 3.31Å; S131-P652 WeakPolarHBondContact O-CB 3.29Å; S131-E656 VanDerWaalsContact CB-OE2 3.25Å; S131-E656 WeakPolarHBondContact CB-OE2 3.28Å; S131-E656 WeakPolarHBondContact OG-CB 3.38Å; S131-E656 PolarHBondContact OG-OE2 3.21Å
132A96Very high95.3Very high0 Ų033.6 Ų33.60%017%0.17CC..Hα-helixtrans-61.9-43173.900000111.5Y119 I122 L123 S128 H129 L130 A135 A136Y119-A132 HydrophobicContact CD1-CB 4.39Å; Y119-A132 HydrophobicContact CD2-CB 3.54Å; Y119-A132 WeakPolarHBondContact CD2-O 3.37Å; Y119-A132 HydrophobicContact CE1-CB 4.43Å; Y119-A132 HydrophobicContact CE2-CB 3.55Å; Y119-A132 HydrophobicContact CG-CB 3.97Å; Y119-A132 WeakPolarHBondContact O-CB 3.27Å; I122-A132 HydrophobicContact CB-CB 3.99Å; I122-A132 HydrophobicContact CG2-CB 3.9Å; L123-A132 HydrophobicContact CD2-CB 3.91Å; L123-A132 HydrophobicContact CG-CB 3.94Å; S128-A132 PolarHBondContact O-N 2.83Å; H129-A132 PolarHBondContact O-N 2.93Å; L130-A132 VanDerWaalsContact C-N 3.35Å; A132-A135 PolarHBondContact O-N 3.46Å; A132-A136 PolarHBondContact O-N 3.31Å
133L96Very high95.3Very high57 Ų5733.6 Ų33.630%0.29817%0.17SC..Hα-helixtrans-62.3-42.4173.2178.762.1000111.4V17 V21 Y119 H129 L130 S131 A135 A136 L137V17-L133 HydrophobicContact CG1-CD1 3.89Å; V21-L133 HydrophobicContact CG2-CD1 3.98Å; Y119-L133 HydrophobicContact CE2-CB 4.38Å; H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.73Å; L130-L133 PolarHBondContact O-N 3.13Å; S131-L133 VanDerWaalsContact C-N 3.34Å; L133-A135 VanDerWaalsContact C-N 3.35Å; L133-A135 PolarHBondContact O-N 3.34Å; L133-A136 PolarHBondContact O-N 3.45Å; L133-L137 HydrophobicContact CD1-CD1 4.24Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 4.02Å; L133-L137 HydrophobicContact CG-CG 4.32Å; L133-L137 WeakPolarHBondContact O-CB 3.3Å; L133-L137 VanDerWaalsContact O-CG 3.32Å; L133-L137 WeakPolarHBondContact O-CG 3.18Å; L133-L137 PolarHBondContact O-N 3.47Å
134G95.9Very high95.4Very high14 Ų1431.6 Ų31.614%0.14416%0.159CC..Hα-helixtrans-56.6-46.2174.800000112.6L130 S131 L137 L138L130-G134 PolarHBondContact O-N 3.43Å; S131-G134 PolarHBondContact O-N 3.14Å; G134-L137 PolarHBondContact O-N 2.93Å; G134-L138 VanDerWaalsContact O-CG 3.31Å; G134-L138 WeakPolarHBondContact O-CG 3.42Å; G134-L138 PolarHBondContact O-N 3.27Å
135A96.7Very high95.4Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-63.2-43.6177.200000112I122 S131 A132 L133 L138 L139 L649 P652I122-A135 HydrophobicContact CD1-CB 4.36Å; I122-A135 HydrophobicContact CG1-CB 3.7Å; S131-A135 PolarHBondContact O-N 3.32Å; A132-A135 PolarHBondContact O-N 3.46Å; L133-A135 VanDerWaalsContact C-N 3.35Å; L133-A135 PolarHBondContact O-N 3.34Å; A135-L138 PolarHBondContact O-N 3.32Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.99Å; A135-L649 HydrophobicContact CB-CD2 4.15Å; A135-P652 HydrophobicContact CB-CG 3.74Å
136A96.9Very high95.6Very high0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-62.4-43.2177.100000112.3V21 V115 Y119 A132 L133 L139 L140V21-A136 HydrophobicContact CG1-CB 3.74Å; V21-A136 HydrophobicContact CG2-CB 4.32Å; V115-A136 HydrophobicContact CG1-CB 4.07Å; V115-A136 WeakPolarHBondContact CG1-O 3.39Å; Y119-A136 HydrophobicContact CD2-CB 4.3Å; A132-A136 PolarHBondContact O-N 3.31Å; L133-A136 PolarHBondContact O-N 3.45Å; A136-L139 PolarHBondContact O-N 3.04Å; A136-L140 WeakPolarHBondContact O-CB 3.07Å; A136-L140 PolarHBondContact O-N 3.17Å
137L96.6Very high95.7Very high50 Ų5023.4 Ų23.426%0.26213%0.128SC..Hα-helixtrans-64.8-39.7177.9-71.5174.1000112.1L133 G134 L140 L141L133-L137 HydrophobicContact CD1-CD1 4.24Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 4.02Å; L133-L137 HydrophobicContact CG-CG 4.32Å; L133-L137 WeakPolarHBondContact O-CB 3.3Å; L133-L137 VanDerWaalsContact O-CG 3.32Å; L133-L137 WeakPolarHBondContact O-CG 3.18Å; L133-L137 PolarHBondContact O-N 3.47Å; G134-L137 PolarHBondContact O-N 2.93Å; L137-L140 HydrophobicContact CD2-CD2 4.35Å; L137-L140 PolarHBondContact O-N 3.25Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 2.87Å
138L97Very high95.8Very high11 Ų1122.9 Ų22.96%0.05812%0.124CC..Hα-helixtrans-61.6-46.1174.8-69.7172.9000111.6G134 A135 L140 E142 Y648 I683G134-L138 VanDerWaalsContact O-CG 3.31Å; G134-L138 WeakPolarHBondContact O-CG 3.42Å; G134-L138 PolarHBondContact O-N 3.27Å; A135-L138 PolarHBondContact O-N 3.32Å; L138-L140 VanDerWaalsContact C-N 3.35Å; L138-E142 WeakPolarHBondContact O-CB 3.36Å; L138-E142 PolarHBondContact O-N 3.38Å; L138-Y648 HydrophobicContact CB-CD1 3.85Å; L138-Y648 HydrophobicContact CB-CG 3.97Å; L138-Y648 HydrophobicContact CD1-CD1 4.13Å; L138-Y648 HydrophobicContact CG-CD1 4.39Å; L138-I683 HydrophobicContact CD2-CD1 3.63Å
139L97Very high95.8Very high2 Ų220.8 Ų20.81%0.0111%0.11CC..Hα-helixtrans-69.4-30.9176.4-69168.7000113.2R29 V115 A135 A136 L145 C645 Y648R29-L139 PolarHBondContact NH2-O 3.48Å; V115-L139 HydrophobicContact CG2-CB 4.17Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.99Å; A136-L139 PolarHBondContact O-N 3.04Å; L139-L145 HydrophobicContact CD2-CD1 3.72Å; L139-C645 HydrophobicContact CD2-CB 4.32Å; L139-Y648 HydrophobicContact CD2-CD2 3.79Å; L139-Y648 HydrophobicContact CD2-CG 4.45Å; L139-Y648 HydrophobicContact CG-CD2 4.49Å
140L96.9Very high95.9Very high10 Ų1015.8 Ų15.85%0.0529%0.086CC..Hα-helixtrans-71.5-44.6179.7-18067.4000111.5L24 T28 V115 A136 L137 L138 E142L24-L140 HydrophobicContact CB-CD1 4.35Å; L24-L140 HydrophobicContact CB-CD2 4.11Å; L24-L140 HydrophobicContact CD1-CD2 4.42Å; T28-L140 HydrophobicContact CG2-CD1 4.12Å; V115-L140 HydrophobicContact CG1-CB 4.13Å; A136-L140 WeakPolarHBondContact O-CB 3.07Å; A136-L140 PolarHBondContact O-N 3.17Å; L137-L140 HydrophobicContact CD2-CD2 4.35Å; L137-L140 PolarHBondContact O-N 3.25Å; L138-L140 VanDerWaalsContact C-N 3.35Å; L140-E142 VanDerWaalsContact C-N 3.3Å; L140-E142 PolarHBondContact O-N 2.89Å
141L96.5Very high96Very high22 Ų229.5 Ų9.512%0.1155%0.053CC..SBendtrans-92.415.4-174.4-59.8175.5000113.3L137 N570 I683 F684 Y687L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 2.87Å; L141-N570 PolarHBondContact O-ND2 3.2Å; L141-I683 HydrophobicContact CB-CG2 4.16Å; L141-I683 HydrophobicContact CD1-CG2 4.19Å; L141-F684 HydrophobicContact CD1-CB 4.35Å; L141-F684 HydrophobicContact CD1-CD2 4.5Å; L141-F684 HydrophobicContact CD2-CD2 4.31Å; L141-Y687 HydrophobicContact CB-CG 4.35Å; L141-Y687 HydrophobicContact CD2-CD1 3.86Å; L141-Y687 HydrophobicContact CD2-CD2 4.48Å; L141-Y687 HydrophobicContact CD2-CE1 4.25Å; L141-Y687 HydrophobicContact CD2-CG 3.99Å
142E96.5Very high95.9Very high0 Ų09.2 Ų9.20%05%0.051CC..  trans-91.6108179.6-177.951.8-138.600111.7L138 L140 S144 L145 I146 G569 N570 S573 Y648L138-E142 WeakPolarHBondContact O-CB 3.36Å; L138-E142 PolarHBondContact O-N 3.38Å; L140-E142 VanDerWaalsContact C-N 3.3Å; L140-E142 PolarHBondContact O-N 2.89Å; E142-S144 WeakPolarHBondContact CG-OG 3.48Å; E142-S144 PolarHBondContact O-N 3.33Å; E142-S144 PolarHBondContact OE1-N 3.5Å; E142-S144 PolarHBondContact OE1-OG 2.95Å; E142-L145 HydrophobicContact CB-CB 4.3Å; E142-L145 HydrophobicContact CB-CD1 4.02Å; E142-L145 HydrophobicContact CB-CG 4.24Å; E142-L145 HydrophobicContact CG-CB 4.13Å; E142-L145 HydrophobicContact CG-CD1 3.9Å; E142-L145 HydrophobicContact CG-CG 3.75Å; E142-L145 PolarHBondContact O-N 3.32Å; E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 2.91Å; E142-I146 VanDerWaalsContact O-N 3.16Å; E142-G569 WeakPolarHBondContact OE1-CA 3.45Å; E142-N570 PolarHBondContact OE1-N 3.45Å; E142-N570 VanDerWaalsContact OE2-CB 3.28Å; E142-N570 WeakPolarHBondContact OE2-CB 3.45Å; E142-N570 PolarHBondContact OE2-N 2.68Å; E142-S573 PolarHBondContact OE2-OG 3.06Å; E142-Y648 HydrophobicContact CB-CE2 4.17Å; E142-Y648 HydrophobicContact CG-CE2 3.79Å; E142-Y648 PolarHBondContact OE2-OH 2.79Å
143N96.1Very high95.8Very high0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-58.8-43.6-175.8-64.7-47.6000112.4L145 I146 V147 I568 Y687 F690 T694N143-L145 PolarHBondContact O-N 3.35Å; N143-I146 PolarHBondContact O-N 2.92Å; N143-I146 VanDerWaalsContact O-N 3.15Å; N143-V147 WeakPolarHBondContact O-CG2 2.94Å; N143-V147 PolarHBondContact O-N 3.37Å; N143-I568 WeakPolarHBondContact CB-O 3.32Å; N143-Y687 WeakPolarHBondContact OD1-CD2 3.43Å; N143-F690 WeakPolarHBondContact ND2-CB 3.4Å; N143-T694 WeakPolarHBondContact CB-OG1 3.35Å; N143-T694 PolarHBondContact OD1-OG1 3.41Å
144S95.7Very high95.7Very high0 Ų06.6 Ų6.60%04%0.037CC..Hα-helixtrans-62.5-40.9-177.659.50000112.6E142 V147 Q148 I568 L641E142-S144 WeakPolarHBondContact CG-OG 3.48Å; E142-S144 PolarHBondContact O-N 3.33Å; E142-S144 PolarHBondContact OE1-N 3.5Å; E142-S144 PolarHBondContact OE1-OG 2.95Å; S144-V147 PolarHBondContact O-N 2.94Å; S144-Q148 WeakPolarHBondContact O-CB 3.38Å; S144-Q148 PolarHBondContact O-N 2.93Å; S144-I568 PolarHBondContact N-O 3.45Å; S144-L641 WeakPolarHBondContact OG-CD2 3.15Å
145L96.3Very high95.6Very high17 Ų176.1 Ų6.19%0.0893%0.031CC..Hα-helixtrans-69-33.8176.2-65.8178.5000112.1L139 E142 N143 S149 I159 L641 Y648L139-L145 HydrophobicContact CD2-CD1 3.72Å; E142-L145 HydrophobicContact CB-CB 4.3Å; E142-L145 HydrophobicContact CB-CD1 4.02Å; E142-L145 HydrophobicContact CB-CG 4.24Å; E142-L145 HydrophobicContact CG-CB 4.13Å; E142-L145 HydrophobicContact CG-CD1 3.9Å; E142-L145 HydrophobicContact CG-CG 3.75Å; E142-L145 PolarHBondContact O-N 3.32Å; N143-L145 PolarHBondContact O-N 3.35Å; L145-S149 WeakPolarHBondContact O-CB 3.28Å; L145-S149 PolarHBondContact O-N 2.99Å; L145-S149 VanDerWaalsContact O-N 3.09Å; L145-S149 PolarHBondContact O-OG 2.95Å; L145-I159 HydrophobicContact CD2-CD1 3.96Å; L145-L641 HydrophobicContact CD2-CB 3.99Å; L145-L641 HydrophobicContact CD2-CD1 4.42Å; L145-L641 HydrophobicContact CD2-CD2 4.22Å; L145-L641 HydrophobicContact CD2-CG 4.43Å; L145-Y648 HydrophobicContact CD1-CE2 4.43Å
146I96.3Very high95.4Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-66.9-51.1174.1-65.3165.6000109.9E142 N143 Q148 S149 R150 Y687 T694 Y695E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 2.91Å; E142-I146 VanDerWaalsContact O-N 3.16Å; N143-I146 PolarHBondContact O-N 2.92Å; N143-I146 VanDerWaalsContact O-N 3.15Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.48Å; I146-S149 PolarHBondContact O-N 2.89Å; I146-S149 PolarHBondContact O-OG 3.41Å; I146-S149 VanDerWaalsContact O-OG 3.13Å; I146-R150 HydrophobicContact CG2-CG 4.2Å; I146-R150 VanDerWaalsContact O-CG 3.26Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.79Å; I146-Y687 HydrophobicContact CD1-CD2 4.37Å; I146-Y687 HydrophobicContact CD1-CE2 3.58Å; I146-T694 HydrophobicContact CB-CG2 3.93Å; I146-T694 HydrophobicContact CG2-CG2 3.59Å; I146-Y695 HydrophobicContact CG2-CE1 4.26Å
147V95.5Very high95.4Very high0 Ų06.8 Ų6.80%04%0.036CC..Hα-helixtrans-54.9-51.9177.2172.80000110.1N143 S144 S149 R150 F151 Y555 I565 L567 T694N143-V147 WeakPolarHBondContact O-CG2 2.94Å; N143-V147 PolarHBondContact O-N 3.37Å; S144-V147 PolarHBondContact O-N 2.94Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.47Å; V147-R150 PolarHBondContact O-N 3.36Å; V147-F151 HydrophobicContact CG1-CD2 4.3Å; V147-F151 HydrophobicContact CG1-CE2 4.03Å; V147-F151 WeakPolarHBondContact O-CD2 3.43Å; V147-Y555 HydrophobicContact CG1-CD2 3.57Å; V147-Y555 HydrophobicContact CG1-CE2 3.71Å; V147-Y555 HydrophobicContact CG1-CG 4.24Å; V147-I565 HydrophobicContact CG1-CG2 4.21Å; V147-L567 HydrophobicContact CB-CD1 4.09Å; V147-L567 HydrophobicContact CG1-CB 4.44Å; V147-L567 HydrophobicContact CG1-CD1 3.94Å; V147-T694 HydrophobicContact CG2-CG2 3.86Å
148Q94.8Very high95.4Very high3 Ų34.6 Ų4.61%0.0142%0.024CC..Hα-helixtrans-62.4-34.7-177-160.66816.600113.4S144 I146 L153 E155 Y555 L641S144-Q148 WeakPolarHBondContact O-CB 3.38Å; S144-Q148 PolarHBondContact O-N 2.93Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.48Å; Q148-L153 HydrophobicContact CG-CD1 4.42Å; Q148-E155 HydrophobicContact CG-CB 3.57Å; Q148-E155 HydrophobicContact CG-CG 4.24Å; Q148-E155 VanDerWaalsContact NE2-CD 3.33Å; Q148-E155 PolarHBondContact NE2-OE2 2.89Å; Q148-Y555 PolarHBondContact OE1-OH 3.39Å; Q148-L641 HydrophobicContact CB-CD1 3.84Å; Q148-L641 HydrophobicContact CG-CD1 3.82Å
149S95.2Very high95.4Very high1 Ų14.5 Ų4.51%0.0072%0.023CC..Hα-helixtrans-81.7-24.9-178.556.70000114P107 A108 L145 I146 V147 F151P107-S149 CarbonylContact C-O 3.57Å; P107-S149 WeakPolarHBondContact CB-O 3.34Å; A108-S149 WeakPolarHBondContact CA-O 3.33Å; A108-S149 PolarHBondContact N-O 2.86Å; L145-S149 WeakPolarHBondContact O-CB 3.28Å; L145-S149 PolarHBondContact O-N 2.99Å; L145-S149 VanDerWaalsContact O-N 3.09Å; L145-S149 PolarHBondContact O-OG 2.95Å; I146-S149 PolarHBondContact O-N 2.89Å; I146-S149 PolarHBondContact O-OG 3.41Å; I146-S149 VanDerWaalsContact O-OG 3.13Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.47Å; S149-F151 VanDerWaalsContact C-N 3.3Å; S149-F151 PolarHBondContact O-N 3.48Å
150R94.8Very high95.4Very high5 Ų56 Ų62%0.0193%0.03CC..Hα-helixtrans-76.2-15-177.3-75.4-178.376.4-118.1-5.2114.3R29 S31 G32 L33 Y35 R104 I146 V147R29-R150 WeakPolarHBondContact O-CG 3.46Å; S31-R150 PolarHBondContact O-NH2 2.9Å; G32-R150 PolarHBondContact O-NH2 3.45Å; L33-R150 HydrophobicContact CD2-CB 4.39Å; L33-R150 HydrophobicContact CD2-CG 4.47Å; Y35-R150 PolarHBondContact O-NH2 3.38Å; R104-R150 WeakPolarHBondContact CB-O 3.27Å; R104-R150 VanDerWaalsContact CD-O 3.27Å; R104-R150 WeakPolarHBondContact CD-O 3.49Å; R104-R150 WeakPolarHBondContact CG-O 3.29Å; I146-R150 HydrophobicContact CG2-CG 4.2Å; I146-R150 VanDerWaalsContact O-CG 3.26Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.79Å; V147-R150 PolarHBondContact O-N 3.36Å
151F94.6Very high95.5Very high1 Ų17.1 Ų7.10%0.0044%0.035CC..SBendtrans-109.1168-177.3-61.3-59.9000111.9P36 V40 E43 P107 V147 S149 L153 Y555 I565P36-F151 HydrophobicContact CG-CE1 4.49Å; V40-F151 HydrophobicContact CB-CD1 4.22Å; V40-F151 HydrophobicContact CB-CG 4.46Å; V40-F151 HydrophobicContact CG1-CD1 4.32Å; V40-F151 HydrophobicContact CG1-CD2 4.27Å; V40-F151 HydrophobicContact CG1-CE2 4.46Å; V40-F151 HydrophobicContact CG1-CG 4.24Å; V40-F151 HydrophobicContact CG2-CD1 3.75Å; V40-F151 HydrophobicContact CG2-CE1 3.74Å; V40-F151 HydrophobicContact CG2-CG 4.45Å; V40-F151 HydrophobicContact CG2-CZ 4.41Å; E43-F151 HydrophobicContact CG-CB 4.29Å; P107-F151 VanDerWaalsContact CB-O 3.24Å; P107-F151 WeakPolarHBondContact CB-O 3.28Å; V147-F151 HydrophobicContact CG1-CD2 4.3Å; V147-F151 HydrophobicContact CG1-CE2 4.03Å; V147-F151 WeakPolarHBondContact O-CD2 3.43Å; S149-F151 VanDerWaalsContact C-N 3.3Å; S149-F151 PolarHBondContact O-N 3.48Å; F151-L153 HydrophobicContact CB-CD1 3.8Å; F151-L153 HydrophobicContact CB-CG 3.87Å; F151-L153 PolarHBondContact O-N 2.88Å; F151-Y555 AromaticContact CD2-CD2 3.86Å; F151-Y555 HydrophobicContact CD2-CD2 3.86Å; F151-Y555 HydrophobicContact CD2-CE2 4.26Å; F151-Y555 HydrophobicContact CE2-CD2 4.15Å; F151-I565 HydrophobicContact CE2-CG2 3.96Å; F151-I565 HydrophobicContact CZ-CD1 3.96Å; F151-I565 HydrophobicContact CZ-CG2 4.16Å
152M93.1Very high95.5Very high0 Ų06.5 Ų6.50%03%0.032CC..SBendtrans-73.368.3178.5-170.7-178.971.100111.3E43 Y46 G47 L50 L72 W87 L103E43-M152 HydrophobicContact CB-CE 4.21Å; E43-M152 HydrophobicContact CG-CB 3.97Å; E43-M152 WeakPolarHBondContact O-CE 3.23Å; E43-M152 PolarHBondContact OE1-N 3.34Å; Y46-M152 WeakPolarHBondContact CD2-O 3.39Å; G47-M152 VanDerWaalsContact CA-CE 3.48Å; G47-M152 VanDerWaalsContact N-CE 3.28Å; L50-M152 HydrophobicContact CD1-SD 4.39Å; L50-M152 HydrophobicContact CD2-CE 4.25Å; L50-M152 HydrophobicContact CD2-SD 3.37Å; L50-M152 WeakPolarHBondContact CD2-SD 3.39Å; L50-M152 HydrophobicContact CG-SD 4.49Å; L72-M152 HydrophobicContact CB-CG 4.46Å; L72-M152 HydrophobicContact CD1-CG 3.94Å; L72-M152 HydrophobicContact CD2-CG 3.89Å; L72-M152 HydrophobicContact CG-CG 4.32Å; W87-M152 HydrophobicContact CH2-CE 4.05Å; W87-M152 HydrophobicContact CZ3-CE 4.28Å; L103-M152 HydrophobicContact CB-SD 4.18Å; L103-M152 HydrophobicContact CD2-SD 4.27Å
153L93.3Very high95.5Very high2 Ų26.7 Ų6.71%0.013%0.032CC..  trans-126.9157.1-173.2-56.3174.6000110.7D42 Y46 Q148 F151 Y555D42-L153 HydrophobicContact CB-CD2 3.46Å; D42-L153 VanDerWaalsContact CB-CD2 3.46Å; Y46-L153 HydrophobicContact CD2-CD2 3.92Å; Y46-L153 HydrophobicContact CE2-CD2 3.83Å; Q148-L153 HydrophobicContact CG-CD1 4.42Å; F151-L153 HydrophobicContact CB-CD1 3.8Å; F151-L153 HydrophobicContact CB-CG 3.87Å; F151-L153 PolarHBondContact O-N 2.88Å; L153-Y555 HydrophobicContact CD1-CE2 3.68Å
154L93.4Very high95.6Very high0 Ų08 Ų80%04%0.039CC..SBendtrans-91.8-22.8-171.2-63.6-175.3000113.9Y46 G68 L72 S156 L157 L158 V199Y46-L154 HydrophobicContact CD1-CD1 4.17Å; Y46-L154 HydrophobicContact CD1-CG 4.22Å; Y46-L154 HydrophobicContact CE1-CD1 3.35Å; Y46-L154 HydrophobicContact CE1-CG 3.6Å; Y46-L154 HydrophobicContact CE2-CG 4.42Å; G68-L154 VanDerWaalsContact C-CD2 3.45Å; L72-L154 HydrophobicContact CD1-CD2 3.5Å; L72-L154 VanDerWaalsContact CD1-CD2 3.5Å; L72-L154 HydrophobicContact CD1-CG 4.35Å; L72-L154 HydrophobicContact CG-CD2 3.92Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 3.1Å; L154-L158 PolarHBondContact O-N 2.89Å; L154-V199 HydrophobicContact CB-CG1 4.06Å
155E93.8Very high95.7Very high4 Ų48.1 Ų8.12%0.0194%0.04CC..Hα-helixtrans-63.6-36.5-170.7-7364.4-146.200112.4Q148 L158 I159 K200 Y638Q148-E155 HydrophobicContact CG-CB 3.57Å; Q148-E155 HydrophobicContact CG-CG 4.24Å; Q148-E155 VanDerWaalsContact NE2-CD 3.33Å; Q148-E155 PolarHBondContact NE2-OE2 2.89Å; E155-L158 PolarHBondContact O-N 3.44Å; E155-I159 VanDerWaalsContact O-CG1 3.24Å; E155-I159 WeakPolarHBondContact O-CG1 3.49Å; E155-I159 PolarHBondContact O-N 3.38Å; E155-K200 IonicContact OE1-NZ 2.75Å; E155-K200 PolarHBondContact OE1-NZ 3.33Å; E155-Y638 HydrophobicContact CG-CD2 4.09Å
156S94.2Very high95.7Very high5 Ų57.5 Ų7.54%0.0354%0.037CC..Hα-helixtrans-66-40.3178.457.70000112.4P107 L154 F160P107-S156 WeakPolarHBondContact CA-OG 3.48Å; P107-S156 WeakPolarHBondContact CB-OG 3.05Å; P107-S156 WeakPolarHBondContact O-CB 3.44Å; P107-S156 PolarHBondContact O-OG 3.37Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.48Å; S156-F160 WeakPolarHBondContact O-CB 3.44Å; S156-F160 PolarHBondContact O-N 3.08Å
157L96.3Very high95.8Very high10 Ų108.3 Ų8.35%0.0524%0.041CC..Hα-helixtrans-66.9-42.2175-64.2175.2000111.1L71 L154 F160 F161 V199L71-L157 HydrophobicContact CB-CD1 4.2Å; L71-L157 HydrophobicContact CD1-CD1 4.12Å; L154-L157 PolarHBondContact O-N 3.1Å; L157-F160 PolarHBondContact O-N 2.88Å; L157-F161 HydrophobicContact CB-CE2 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 3.36Å; L157-F161 PolarHBondContact O-N 2.99Å; L157-V199 HydrophobicContact CB-CG1 4.47Å; L157-V199 HydrophobicContact CB-CG2 4.47Å
158L96.4Very high95.8Very high4 Ų48.3 Ų8.32%0.0214%0.041CC..Hα-helixtrans-57.7-52.8175.1173.667000111.2L154 E155 F160 F161 V162 A196 V199 K200 T202 P642L154-L158 PolarHBondContact O-N 2.89Å; E155-L158 PolarHBondContact O-N 3.44Å; L158-F160 VanDerWaalsContact C-N 3.29Å; L158-F160 PolarHBondContact O-N 3.36Å; L158-F161 PolarHBondContact O-N 3.29Å; L158-V162 HydrophobicContact CD1-CG2 4.17Å; L158-V162 WeakPolarHBondContact O-CB 3.39Å; L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 3.27Å; L158-A196 HydrophobicContact CD1-CB 4.22Å; L158-A196 WeakPolarHBondContact CD1-O 3.28Å; L158-V199 HydrophobicContact CB-CG1 4.1Å; L158-K200 HydrophobicContact CD2-CB 4.31Å; L158-T202 WeakPolarHBondContact CD2-OG1 3.21Å; L158-P642 HydrophobicContact CD2-CG 4.27Å
159I96.9Very high95.9Very high8 Ų88.2 Ų8.24%0.0414%0.04CC..Hα-helixtrans-59.9-43.1-179.9-66.4166000110.2L145 E155 V162 L163 L641 P642 C645L145-I159 HydrophobicContact CD2-CD1 3.96Å; E155-I159 VanDerWaalsContact O-CG1 3.24Å; E155-I159 WeakPolarHBondContact O-CG1 3.49Å; E155-I159 PolarHBondContact O-N 3.38Å; I159-V162 PolarHBondContact O-N 3.39Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.2Å; I159-L163 WeakPolarHBondContact O-CB 3.27Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.45Å; I159-L163 PolarHBondContact O-N 3.13Å; I159-L641 HydrophobicContact CD1-CB 4.01Å; I159-P642 HydrophobicContact CD1-CG 4.4Å; I159-P642 HydrophobicContact CG1-CB 4.27Å; I159-P642 HydrophobicContact CG1-CG 4Å; I159-C645 HydrophobicContact CG2-CB 4.4Å
160F97.6Very high95.9Very high33 Ų338.9 Ų8.915%0.1454%0.043CC..Hα-helixtrans-57-52.8177.1169.4-103.9000112.2L113 C114 L117 S156 L157 L158 V162 L163 L164L113-F160 HydrophobicContact CB-CD2 3.73Å; L113-F160 HydrophobicContact CB-CE2 3.52Å; L113-F160 HydrophobicContact CD1-CE2 3.84Å; L113-F160 HydrophobicContact CD1-CZ 4.19Å; L113-F160 HydrophobicContact CG-CE2 4.35Å; C114-F160 VanDerWaalsContact SG-CA 3.53Å; L117-F160 HydrophobicContact CD1-CD2 3.61Å; L117-F160 HydrophobicContact CD1-CE2 3.61Å; S156-F160 WeakPolarHBondContact O-CB 3.44Å; S156-F160 PolarHBondContact O-N 3.08Å; L157-F160 PolarHBondContact O-N 2.88Å; L158-F160 VanDerWaalsContact C-N 3.29Å; L158-F160 PolarHBondContact O-N 3.36Å; F160-V162 VanDerWaalsContact C-N 3.33Å; F160-V162 PolarHBondContact O-N 2.82Å; F160-L163 PolarHBondContact O-N 3.05Å; F160-L164 HydrophobicContact CE1-CD2 4.13Å; F160-L164 HydrophobicContact CZ-CD2 3.92Å; F160-L164 VanDerWaalsContact O-CB 3.27Å; F160-L164 WeakPolarHBondContact O-CB 3.49Å; F160-L164 PolarHBondContact O-N 2.83Å
161F97.9Very high95.9Very high35 Ų3514 Ų1415%0.1546%0.063CC..Hα-helixtrans-65.6-35.7-179.3-71.1-55.2000112.6L71 L157 L158 A165 A195 A196 V199L71-F161 HydrophobicContact CD1-CE2 3.94Å; L71-F161 HydrophobicContact CD1-CZ 4.18Å; L157-F161 HydrophobicContact CB-CE2 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 3.36Å; L157-F161 PolarHBondContact O-N 2.99Å; L158-F161 PolarHBondContact O-N 3.29Å; F161-A165 VanDerWaalsContact O-CB 3.29Å; F161-A165 WeakPolarHBondContact O-CB 3.38Å; F161-A165 PolarHBondContact O-N 3.01Å; F161-A195 HydrophobicContact CB-CB 4.42Å; F161-A195 HydrophobicContact CD1-CB 3.75Å; F161-A195 HydrophobicContact CD2-CB 3.97Å; F161-A195 HydrophobicContact CE1-CB 3.92Å; F161-A195 HydrophobicContact CE2-CB 4.14Å; F161-A195 HydrophobicContact CG-CB 3.79Å; F161-A195 HydrophobicContact CZ-CB 4.11Å; F161-A196 HydrophobicContact CB-CB 3.91Å; F161-V199 HydrophobicContact CD2-CG2 3.97Å; F161-V199 HydrophobicContact CE2-CG2 3.98Å
162V97.2Very high95.9Very high9 Ų914 Ų146%0.0556%0.063CC..Hα-helixtrans-63.8-50.7174.9169.70000111.1L158 I159 F160 L164 A165 F166 A196 Y646L158-V162 HydrophobicContact CD1-CG2 4.17Å; L158-V162 WeakPolarHBondContact O-CB 3.39Å; L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.49Å; L158-V162 PolarHBondContact O-N 3.27Å; I159-V162 PolarHBondContact O-N 3.39Å; F160-V162 VanDerWaalsContact C-N 3.33Å; F160-V162 PolarHBondContact O-N 2.82Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3Å; V162-A165 WeakPolarHBondContact O-CB 3.44Å; V162-A165 PolarHBondContact O-N 2.7Å; V162-F166 HydrophobicContact CG1-CD2 4.13Å; V162-F166 HydrophobicContact CG1-CE2 4.22Å; V162-F166 WeakPolarHBondContact O-CD2 3.32Å; V162-F166 PolarHBondContact O-N 2.91Å; V162-F166 VanDerWaalsContact O-N 3.16Å; V162-A196 HydrophobicContact CG2-CB 3.82Å; V162-Y646 HydrophobicContact CG1-CE2 4.38Å; V162-Y646 WeakPolarHBondContact CG1-OH 3.37Å
163L97.1Very high95.8Very high3 Ų317.4 Ų17.42%0.0168%0.078CC..Hα-helixtrans-63-40.9179-66.8178.3000111.5C114 L117 L121 I159 F160 A165 F166 F167 L649C114-L163 HydrophobicContact CB-CD1 3.96Å; L117-L163 HydrophobicContact CB-CB 4.26Å; L117-L163 HydrophobicContact CD1-CB 4.31Å; L121-L163 HydrophobicContact CD1-CB 4.08Å; L121-L163 HydrophobicContact CD1-CD2 3.69Å; L121-L163 HydrophobicContact CD1-CG 4.44Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.2Å; I159-L163 WeakPolarHBondContact O-CB 3.27Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.45Å; I159-L163 PolarHBondContact O-N 3.13Å; F160-L163 PolarHBondContact O-N 3.05Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.45Å; L163-F166 PolarHBondContact O-N 3.43Å; L163-F167 VanDerWaalsContact O-CB 3.3Å; L163-F167 WeakPolarHBondContact O-CB 3.26Å; L163-F167 PolarHBondContact O-N 2.85Å; L163-L649 HydrophobicContact CD2-CD1 4.21Å
164L97.8Very high95.7Very high27 Ų2719.7 Ų19.714%0.1419%0.091CC..Hα-helixtrans-63-38.7176.6-177.560.8000112.1L117 F160 V162 F167 S168 L188 S192L117-L164 HydrophobicContact CD1-CB 4.04Å; L117-L164 HydrophobicContact CD2-CD1 3.94Å; F160-L164 HydrophobicContact CE1-CD2 4.13Å; F160-L164 HydrophobicContact CZ-CD2 3.92Å; F160-L164 VanDerWaalsContact O-CB 3.27Å; F160-L164 WeakPolarHBondContact O-CB 3.49Å; F160-L164 PolarHBondContact O-N 2.83Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3Å; L164-F167 HydrophobicContact CD1-CD1 4.32Å; L164-F167 PolarHBondContact O-N 3.36Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.27Å; L164-S168 PolarHBondContact O-N 2.92Å; L164-S168 PolarHBondContact O-OG 3.45Å; L164-L188 HydrophobicContact CD1-CD2 4.43Å; L164-S192 WeakPolarHBondContact CD2-OG 3.49Å; L164-S192 WeakPolarHBondContact CG-OG 3.45Å
165A97.4Very high95.5Very high3 Ų320.7 Ų20.73%0.02510%0.099CC..Hα-helixtrans-63.5-47.3177.800000112.1F161 V162 L163 Y169 S189 L210F161-A165 VanDerWaalsContact O-CB 3.29Å; F161-A165 WeakPolarHBondContact O-CB 3.38Å; F161-A165 PolarHBondContact O-N 3.01Å; V162-A165 WeakPolarHBondContact O-CB 3.44Å; V162-A165 PolarHBondContact O-N 2.7Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.45Å; A165-Y169 WeakPolarHBondContact O-CB 3.4Å; A165-Y169 PolarHBondContact O-N 3.49Å; A165-S189 PolarHBondContact O-OG 2.95Å; A165-L210 HydrophobicContact CB-CD1 4.07Å
166F97Very high94.8Very high4 Ų425.3 Ų25.32%0.01813%0.129CC..Hα-helixtrans-67-40.8176.5-82.9-76.1000112.3L121 V162 L163 Y169 L170 S206 L209 L210 L616 Y646L121-F166 HydrophobicContact CD2-CB 4.02Å; V162-F166 HydrophobicContact CG1-CD2 4.13Å; V162-F166 HydrophobicContact CG1-CE2 4.22Å; V162-F166 WeakPolarHBondContact O-CD2 3.32Å; V162-F166 PolarHBondContact O-N 2.91Å; V162-F166 VanDerWaalsContact O-N 3.16Å; L163-F166 PolarHBondContact O-N 3.43Å; F166-Y169 PolarHBondContact O-N 2.96Å; F166-L170 WeakPolarHBondContact O-CG 3.31Å; F166-L170 PolarHBondContact O-N 3.32Å; F166-S206 WeakPolarHBondContact CZ-O 3.39Å; F166-L209 HydrophobicContact CE1-CD2 4.39Å; F166-L209 HydrophobicContact CE1-CG 4.33Å; F166-L209 HydrophobicContact CZ-CB 4.16Å; F166-L209 HydrophobicContact CZ-CD2 3.82Å; F166-L209 HydrophobicContact CZ-CG 3.91Å; F166-L210 HydrophobicContact CD1-CD1 4.02Å; F166-L210 HydrophobicContact CD1-CG 4.44Å; F166-L210 HydrophobicContact CD2-CD1 4.4Å; F166-L210 HydrophobicContact CE1-CB 3.83Å; F166-L210 HydrophobicContact CE1-CD1 4.18Å; F166-L210 HydrophobicContact CE1-CG 4.21Å; F166-L210 HydrophobicContact CE2-CB 4.36Å; F166-L210 HydrophobicContact CE2-CD1 4.5Å; F166-L210 HydrophobicContact CG-CD1 4.16Å; F166-L210 HydrophobicContact CZ-CB 3.75Å; F166-L210 HydrophobicContact CZ-CD1 4.42Å; F166-L616 HydrophobicContact CB-CD1 4.44Å; F166-L616 HydrophobicContact CD1-CD1 3.13Å; F166-L616 HydrophobicContact CD2-CD1 4.45Å; F166-L616 HydrophobicContact CE1-CD1 3.27Å; F166-L616 HydrophobicContact CG-CD1 3.78Å; F166-L616 HydrophobicContact CZ-CD1 4.03Å; F166-Y646 HydrophobicContact CD2-CE1 4.49Å; F166-Y646 VanDerWaalsContact CD2-OH 3.23Å; F166-Y646 WeakPolarHBondContact CD2-OH 3.32Å; F166-Y646 WeakPolarHBondContact CE2-OH 3.5Å
167F97Very high93.7Very high18 Ų1827.9 Ų27.98%0.07916%0.157CC..Hα-helixtrans-59.5-51.6177168.3-111.5000110.8L117 L120 L121 E124 L163 L164 Y169 L170 R171 W185L117-F167 HydrophobicContact CD2-CB 4.33Å; L117-F167 HydrophobicContact CD2-CD1 3.98Å; L117-F167 HydrophobicContact CD2-CG 4.22Å; L120-F167 HydrophobicContact CB-CD2 3.8Å; L120-F167 HydrophobicContact CB-CE2 3.55Å; L120-F167 HydrophobicContact CB-CZ 4.21Å; L120-F167 HydrophobicContact CD1-CE1 4.46Å; L120-F167 HydrophobicContact CD1-CE2 4.22Å; L120-F167 HydrophobicContact CD1-CZ 4.01Å; L120-F167 HydrophobicContact CG-CE2 4.36Å; L121-F167 VanDerWaalsContact CD2-CA 3.49Å; L121-F167 HydrophobicContact CD2-CB 3.9Å; L121-F167 HydrophobicContact CG-CB 3.99Å; E124-F167 HydrophobicContact CG-CD2 3.99Å; E124-F167 HydrophobicContact CG-CE2 3.84Å; L163-F167 VanDerWaalsContact O-CB 3.3Å; L163-F167 WeakPolarHBondContact O-CB 3.26Å; L163-F167 PolarHBondContact O-N 2.85Å; L164-F167 HydrophobicContact CD1-CD1 4.32Å; L164-F167 PolarHBondContact O-N 3.36Å; F167-Y169 VanDerWaalsContact C-N 3.3Å; F167-Y169 PolarHBondContact O-N 3.47Å; F167-L170 PolarHBondContact O-N 2.87Å; F167-R171 WeakPolarHBondContact O-CB 3.42Å; F167-R171 PolarHBondContact O-N 3.01Å; F167-W185 HydrophobicContact CE1-CZ3 4.14Å
168S96.9Very high92.3Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-63.2-38-179-540000111.4L164 F172 W185 L188L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.27Å; L164-S168 PolarHBondContact O-N 2.92Å; L164-S168 PolarHBondContact O-OG 3.45Å; S168-F172 WeakPolarHBondContact O-CB 3.32Å; S168-F172 PolarHBondContact O-N 3.36Å; S168-W185 WeakPolarHBondContact CB-O 3.29Å; S168-W185 WeakPolarHBondContact O-CB 3.33Å; S168-L188 WeakPolarHBondContact OG-CD2 3.42Å
169Y96.8Very high91.4Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-66-45.5175.4179-99.7000112.9A165 F166 F167 R171 F172 H173 L186 S189 L210 V213 A214 H217 L243A165-Y169 WeakPolarHBondContact O-CB 3.4Å; A165-Y169 PolarHBondContact O-N 3.49Å; F166-Y169 PolarHBondContact O-N 2.96Å; F167-Y169 VanDerWaalsContact C-N 3.3Å; F167-Y169 PolarHBondContact O-N 3.47Å; Y169-R171 VanDerWaalsContact C-N 3.35Å; Y169-F172 HydrophobicContact CD2-CD1 4.33Å; Y169-F172 HydrophobicContact CE2-CD1 4.14Å; Y169-F172 HydrophobicContact CE2-CE1 4.42Å; Y169-F172 WeakPolarHBondContact O-CB 3.35Å; Y169-F172 PolarHBondContact O-N 3.33Å; Y169-H173 PolarHBondContact O-N 2.87Å; Y169-L186 HydrophobicContact CD2-CD1 4.34Å; Y169-S189 WeakPolarHBondContact CB-OG 3.31Å; Y169-L210 HydrophobicContact CD2-CD2 4.4Å; Y169-L210 HydrophobicContact CG-CD1 4.49Å; Y169-L210 HydrophobicContact CG-CD2 4.47Å; Y169-L210 HydrophobicContact CG-CG 4.4Å; Y169-V213 HydrophobicContact CD1-CG1 4.41Å; Y169-V213 HydrophobicContact CE1-CG1 3.74Å; Y169-A214 HydrophobicContact CE2-CB 3.78Å; Y169-A214 VanDerWaalsContact OH-CA 3.25Å; Y169-A214 WeakPolarHBondContact OH-CA 3.5Å; Y169-H217 AromaticContact CE1-ND1 3.72Å; Y169-H217 AromaticContact CZ-ND1 3.82Å; Y169-H217 WeakPolarHBondContact OH-CB 3.27Å; Y169-H217 PolarHBondContact OH-ND1 3.49Å; Y169-L243 HydrophobicContact CD2-CD1 4.25Å; Y169-L243 HydrophobicContact CE2-CD1 4.17Å
170L95.1Very high90.5Very high15 Ų1550.9 Ų50.98%0.07925%0.25CS..Hα-helixtrans-66.5-39.3177.8-69.1179.5000111.4L121 E124 L125 F166 F167 F172 H173 N174 L616L121-L170 HydrophobicContact CD2-CD1 4Å; E124-L170 HydrophobicContact CB-CB 3.84Å; E124-L170 HydrophobicContact CB-CD1 4.21Å; E124-L170 HydrophobicContact CG-CB 4.47Å; L125-L170 HydrophobicContact CD2-CD1 4.08Å; L125-L170 HydrophobicContact CG-CD1 4.2Å; F166-L170 WeakPolarHBondContact O-CG 3.31Å; F166-L170 PolarHBondContact O-N 3.32Å; F167-L170 PolarHBondContact O-N 2.87Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.36Å; L170-H173 WeakPolarHBondContact O-CA 3.26Å; L170-H173 PolarHBondContact O-N 3.24Å; L170-N174 WeakPolarHBondContact O-CB 3.34Å; L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-ND2 3.44Å; L170-L616 HydrophobicContact CD1-CD2 3.94Å
171R94.4Very high89.8Confident114 Ų11452.7 Ų52.743%0.4327%0.267SS..Hα-helixtrans-59.4-42.6172.7-16968.5177.7174.6-0.9111.3E124 F167 Y169 A175 W185E124-R171 WeakPolarHBondContact OE1-CD 3.5Å; E124-R171 IonicContact OE1-CZ 3.57Å; E124-R171 IonicContact OE1-NE 3.69Å; E124-R171 IonicContact OE1-NH1 2.69Å; E124-R171 PolarHBondContact OE1-NH1 3.45Å; F167-R171 WeakPolarHBondContact O-CB 3.42Å; F167-R171 PolarHBondContact O-N 3.01Å; Y169-R171 VanDerWaalsContact C-N 3.35Å; R171-A175 VanDerWaalsContact O-CB 3.23Å; R171-A175 WeakPolarHBondContact O-CB 3.49Å; R171-A175 PolarHBondContact O-N 3.42Å; R171-W185 HydrophobicContact CB-CD2 4.36Å; R171-W185 HydrophobicContact CB-CG 4.35Å; R171-W185 HydrophobicContact CG-CD2 3.85Å; R171-W185 HydrophobicContact CG-CE3 4.38Å; R171-W185 HydrophobicContact CG-CG 4Å; R171-W185 HydrophobicContact CG-CZ2 4.46Å
172F94.4Very high89.4Confident0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-59-44.9170.1160.1-93.6000111.5S168 Y169 L170 R182 Y183 W185 L186 K239S168-F172 WeakPolarHBondContact O-CB 3.32Å; S168-F172 PolarHBondContact O-N 3.36Å; Y169-F172 HydrophobicContact CD2-CD1 4.33Å; Y169-F172 HydrophobicContact CE2-CD1 4.14Å; Y169-F172 HydrophobicContact CE2-CE1 4.42Å; Y169-F172 WeakPolarHBondContact O-CB 3.35Å; Y169-F172 PolarHBondContact O-N 3.33Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.36Å; F172-R182 HydrophobicContact CD2-CB 4.45Å; F172-R182 HydrophobicContact CD2-CG 3.22Å; F172-R182 WeakPolarHBondContact CD2-O 3.15Å; F172-R182 HydrophobicContact CE2-CG 3.56Å; F172-R182 VanDerWaalsContact CE2-NE 3.32Å; F172-R182 HydrophobicContact CG-CG 4.13Å; F172-R182 PolarHBondContact O-NE 3.36Å; F172-R182 PolarHBondContact O-NH2 3.46Å; F172-Y183 HydrophobicContact CE2-CD1 4.25Å; F172-Y183 HydrophobicContact CE2-CE1 4.33Å; F172-W185 HydrophobicContact CB-CB 4.09Å; F172-L186 HydrophobicContact CB-CB 4.45Å; F172-L186 HydrophobicContact CD1-CD1 3.98Å; F172-L186 HydrophobicContact CD2-CB 3.64Å; F172-L186 HydrophobicContact CD2-CD1 4.28Å; F172-L186 HydrophobicContact CD2-CD2 4.29Å; F172-L186 HydrophobicContact CD2-CG 4.29Å; F172-L186 HydrophobicContact CE1-CD1 4.09Å; F172-L186 HydrophobicContact CE2-CB 4.05Å; F172-L186 HydrophobicContact CE2-CD1 4.39Å; F172-L186 HydrophobicContact CE2-CD2 3.85Å; F172-L186 HydrophobicContact CE2-CG 4.33Å; F172-L186 HydrophobicContact CG-CB 4.04Å; F172-L186 HydrophobicContact CG-CD1 4.1Å; F172-L186 HydrophobicContact CZ-CD1 4.3Å; F172-L186 HydrophobicContact CZ-CD2 4.04Å; F172-K239 HydrophobicContact CZ-CG 4.44Å
173H91.6Very high89.1Confident71 Ų7153.2 Ų53.233%0.32927%0.267SS..Hα-helixtrans-67.7-39.6-177-175.964.3000112.9Y169 L170 H217Y169-H173 PolarHBondContact O-N 2.87Å; L170-H173 WeakPolarHBondContact O-CA 3.26Å; L170-H173 PolarHBondContact O-N 3.24Å; H173-H217 AromaticContact CD2-CE1 3.61Å; H173-H217 AromaticContact CD2-ND1 3.71Å; H173-H217 AromaticContact CE1-CE1 3.87Å; H173-H217 AromaticContact CE1-CG 3.73Å; H173-H217 AromaticContact CE1-ND1 3.4Å; H173-H217 PolarHBondContact CE1-ND1 3.23Å; H173-H217 AromaticContact CG-CE1 3.8Å; H173-H217 AromaticContact CG-ND1 3.46Å; H173-H217 AromaticContact ND1-CE1 3.96Å; H173-H217 AromaticContact ND1-CG 3.9Å; H173-H217 AromaticContact ND1-ND1 3.27Å; H173-H217 PolarHBondContact ND1-ND1 3.39Å; H173-H217 AromaticContact NE2-CE1 3.65Å; H173-H217 AromaticContact NE2-ND1 3.66Å
174N91.1Very high88.9Confident50 Ų5055.1 Ų55.127%0.26729%0.287SS..Hα-helixtrans-83.7-18.3-178.2-71.6-37.6000114E124 R126 L170E124-N174 PolarHBondContact O-ND2 3.43Å; E124-N174 PolarHBondContact OE2-ND2 3.24Å; R126-N174 PolarHBondContact NH2-OD1 2.55Å; L170-N174 WeakPolarHBondContact O-CB 3.34Å; L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-ND2 3.44Å
175A88.3Confident88.8Confident22 Ų2257.8 Ų57.818%0.18230%0.296CS..SBendtrans-64.5144.9179.900000112.6R171 G177 R182R171-A175 VanDerWaalsContact O-CB 3.23Å; R171-A175 WeakPolarHBondContact O-CB 3.49Å; R171-A175 PolarHBondContact O-N 3.42Å; A175-G177 PolarHBondContact O-N 3.21Å; A175-R182 HydrophobicContact CB-CB 4.22Å; A175-R182 HydrophobicContact CB-CG 4.17Å
176P79.4Confident88.7Confident100 Ų10057.7 Ų57.765%0.64930%0.295SS*.  trans-62.7136179.325.4-33.5000111.4R178 C179P176-R178 PolarHBondContact O-N 2.99Å; P176-C179 HydrophobicContact CG-CB 4.45Å; P176-C179 PolarHBondContact O-N 3.26Å; P176-C179 VanDerWaalsContact O-N 3.16Å
177G70.3Confident88.6Confident60 Ų6061.2 Ų61.262%0.61931%0.313SS*.THydrogen-bonded Turntrans-61.9-16.1-168.900000116.6A175A175-G177 PolarHBondContact O-N 3.21Å
178R68.4Low88.6Confident247 Ų24763.3 Ų63.393%0.93233%0.325SS*.THydrogen-bonded Turntrans-86.5-7.9-179.9-65.9-179-179.1175.9-0.1114.2P176P176-R178 PolarHBondContact O-N 2.99Å
179C76.8Confident88.6Confident54 Ų5463.3 Ų63.337%0.36533%0.325SS..  trans-93.1118.4-172.9-159.80000111.7P176 S181 R182P176-C179 HydrophobicContact CG-CB 4.45Å; P176-C179 PolarHBondContact O-N 3.26Å; P176-C179 VanDerWaalsContact O-N 3.16Å; C179-S181 PolarHBondContact O-N 3.02Å; C179-S181 PolarHBondContact SG-OG 3.44Å; C179-R182 WeakPolarHBondContact O-CB 3.4Å; C179-R182 PolarHBondContact O-N 3.5Å; C179-R182 VanDerWaalsContact O-N 3.17Å
180W78.8Confident88.7Confident203 Ų20363.3 Ų63.377%0.76933%0.325SS*.THydrogen-bonded Turntrans-63.7-26.1177.4-77.196.1000113.6R182 Y183W180-R182 PolarHBondContact O-N 2.88Å; W180-R182 VanDerWaalsContact O-N 3.1Å; W180-Y183 HydrophobicContact CE3-CD2 4.02Å; W180-Y183 HydrophobicContact CE3-CE2 4.26Å; W180-Y183 HydrophobicContact CZ3-CD2 4.45Å; W180-Y183 HydrophobicContact CZ3-CE2 4.43Å; W180-Y183 PolarHBondContact O-N 2.93Å; W180-Y183 VanDerWaalsContact O-N 3.14Å
181S83.1Confident88.8Confident71 Ų7165.2 Ų65.250%0.49734%0.337SS..Hα-helixtrans-62-19176.369.20000113.2C179 Y183 G184 W185C179-S181 PolarHBondContact O-N 3.02Å; C179-S181 PolarHBondContact SG-OG 3.44Å; S181-Y183 VanDerWaalsContact C-N 3.31Å; S181-Y183 PolarHBondContact O-N 2.91Å; S181-G184 PolarHBondContact O-N 2.93Å; S181-G184 VanDerWaalsContact O-N 3.11Å; S181-W185 VanDerWaalsContact O-CD1 3.27Å; S181-W185 PolarHBondContact O-N 2.88Å
182R88.5Confident89Confident20 Ų2060 Ų608%0.07532%0.318CS..Hα-helixtrans-52.8-47171.7176.8174.9-174.1-153.66.8111.6F172 A175 C179 W180 G184 W185 L186F172-R182 HydrophobicContact CD2-CB 4.45Å; F172-R182 HydrophobicContact CD2-CG 3.22Å; F172-R182 WeakPolarHBondContact CD2-O 3.15Å; F172-R182 HydrophobicContact CE2-CG 3.56Å; F172-R182 VanDerWaalsContact CE2-NE 3.32Å; F172-R182 HydrophobicContact CG-CG 4.13Å; F172-R182 PolarHBondContact O-NE 3.36Å; F172-R182 PolarHBondContact O-NH2 3.46Å; A175-R182 HydrophobicContact CB-CB 4.22Å; A175-R182 HydrophobicContact CB-CG 4.17Å; C179-R182 WeakPolarHBondContact O-CB 3.4Å; C179-R182 PolarHBondContact O-N 3.5Å; C179-R182 VanDerWaalsContact O-N 3.17Å; W180-R182 PolarHBondContact O-N 2.88Å; W180-R182 VanDerWaalsContact O-N 3.1Å; R182-G184 PolarHBondContact O-N 3.43Å; R182-W185 WeakPolarHBondContact O-CB 3.35Å; R182-W185 PolarHBondContact O-N 2.88Å; R182-W185 VanDerWaalsContact O-N 3.13Å; R182-L186 PolarHBondContact O-N 2.86Å
183Y90.5Very high89.1Confident35 Ų3560.2 Ų60.214%0.13732%0.32CS..Hα-helixtrans-68.8-23.8-179-62.9-74.2000112.9F172 W180 S181 W185 L186 L187 W238F172-Y183 HydrophobicContact CE2-CD1 4.25Å; F172-Y183 HydrophobicContact CE2-CE1 4.33Å; W180-Y183 HydrophobicContact CE3-CD2 4.02Å; W180-Y183 HydrophobicContact CE3-CE2 4.26Å; W180-Y183 HydrophobicContact CZ3-CD2 4.45Å; W180-Y183 HydrophobicContact CZ3-CE2 4.43Å; W180-Y183 PolarHBondContact O-N 2.93Å; W180-Y183 VanDerWaalsContact O-N 3.14Å; S181-Y183 VanDerWaalsContact C-N 3.31Å; S181-Y183 PolarHBondContact O-N 2.91Å; Y183-W185 VanDerWaalsContact C-N 3.35Å; Y183-L186 HydrophobicContact CD1-CD2 4.26Å; Y183-L186 WeakPolarHBondContact O-CB 3.24Å; Y183-L186 PolarHBondContact O-N 3.38Å; Y183-L187 PolarHBondContact O-N 2.97Å; Y183-W238 HydrophobicContact CD1-CB 3.85Å; Y183-W238 AromaticContact CD1-CD2 3.86Å; Y183-W238 HydrophobicContact CD1-CD2 3.86Å; Y183-W238 HydrophobicContact CD1-CE3 4.35Å; Y183-W238 AromaticContact CD1-CG 3.62Å; Y183-W238 HydrophobicContact CD1-CG 3.62Å; Y183-W238 HydrophobicContact CE1-CB 3.62Å; Y183-W238 AromaticContact CE1-CD1 3.63Å; Y183-W238 HydrophobicContact CE1-CD2 4.25Å; Y183-W238 AromaticContact CE1-CG 3.54Å; Y183-W238 HydrophobicContact CE1-CG 3.54Å; Y183-W238 HydrophobicContact CG-CD2 4.41Å
184G93.6Very high89.3Confident43 Ų4357 Ų5744%0.44331%0.305SS..Hα-helixtrans-62.1-41169.900000112.4S181 R182 L186 L187 L188S181-G184 PolarHBondContact O-N 2.93Å; S181-G184 VanDerWaalsContact O-N 3.11Å; R182-G184 PolarHBondContact O-N 3.43Å; G184-L186 VanDerWaalsContact C-N 3.34Å; G184-L187 PolarHBondContact O-N 3.44Å; G184-L188 WeakPolarHBondContact O-CB 3.4Å; G184-L188 PolarHBondContact O-N 2.91Å
185W94.8Very high89.6Confident84 Ų8454.9 Ų54.932%0.31830%0.295SS..Hα-helixtrans-66.8-35.1173.7-63.1109.5000112.6F167 S168 R171 F172 S181 R182 Y183 L188 S189F167-W185 HydrophobicContact CE1-CZ3 4.14Å; S168-W185 WeakPolarHBondContact CB-O 3.29Å; S168-W185 WeakPolarHBondContact O-CB 3.33Å; R171-W185 HydrophobicContact CB-CD2 4.36Å; R171-W185 HydrophobicContact CB-CG 4.35Å; R171-W185 HydrophobicContact CG-CD2 3.85Å; R171-W185 HydrophobicContact CG-CE3 4.38Å; R171-W185 HydrophobicContact CG-CG 4Å; R171-W185 HydrophobicContact CG-CZ2 4.46Å; F172-W185 HydrophobicContact CB-CB 4.09Å; S181-W185 VanDerWaalsContact O-CD1 3.27Å; S181-W185 PolarHBondContact O-N 2.88Å; R182-W185 WeakPolarHBondContact O-CB 3.35Å; R182-W185 PolarHBondContact O-N 2.88Å; R182-W185 VanDerWaalsContact O-N 3.13Å; Y183-W185 VanDerWaalsContact C-N 3.35Å; W185-L188 HydrophobicContact CE3-CD2 3.96Å; W185-L188 HydrophobicContact CZ3-CD2 3.93Å; W185-L188 PolarHBondContact O-N 3.18Å; W185-S189 WeakPolarHBondContact O-CB 3.48Å; W185-S189 PolarHBondContact O-N 3.5Å
186L95.5Very high90Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-66.7-42.6174.7-172.565.2000111.8Y169 F172 R182 Y183 G184 S189 G190 W238 K239 C242 L243Y169-L186 HydrophobicContact CD2-CD1 4.34Å; F172-L186 HydrophobicContact CB-CB 4.45Å; F172-L186 HydrophobicContact CD1-CD1 3.98Å; F172-L186 HydrophobicContact CD2-CB 3.64Å; F172-L186 HydrophobicContact CD2-CD1 4.28Å; F172-L186 HydrophobicContact CD2-CD2 4.29Å; F172-L186 HydrophobicContact CD2-CG 4.29Å; F172-L186 HydrophobicContact CE1-CD1 4.09Å; F172-L186 HydrophobicContact CE2-CB 4.05Å; F172-L186 HydrophobicContact CE2-CD1 4.39Å; F172-L186 HydrophobicContact CE2-CD2 3.85Å; F172-L186 HydrophobicContact CE2-CG 4.33Å; F172-L186 HydrophobicContact CG-CB 4.04Å; F172-L186 HydrophobicContact CG-CD1 4.1Å; F172-L186 HydrophobicContact CZ-CD1 4.3Å; F172-L186 HydrophobicContact CZ-CD2 4.04Å; R182-L186 PolarHBondContact O-N 2.86Å; Y183-L186 HydrophobicContact CD1-CD2 4.26Å; Y183-L186 WeakPolarHBondContact O-CB 3.24Å; Y183-L186 PolarHBondContact O-N 3.38Å; G184-L186 VanDerWaalsContact C-N 3.34Å; L186-S189 WeakPolarHBondContact O-CB 3.46Å; L186-S189 PolarHBondContact O-N 3.43Å; L186-G190 PolarHBondContact O-N 3.3Å; L186-W238 HydrophobicContact CD2-CB 4.31Å; L186-K239 HydrophobicContact CD2-CG 4.26Å; L186-C242 HydrophobicContact CB-CB 4.49Å; L186-C242 HydrophobicContact CD2-CB 3.95Å; L186-C242 HydrophobicContact CG-CB 3.66Å; L186-L243 HydrophobicContact CD1-CD1 3.96Å; L186-L243 HydrophobicContact CD1-CD2 3.99Å; L186-L243 HydrophobicContact CD1-CG 3.87Å
187L96.4Very high90.8Very high78 Ų7850 Ų5041%0.40826%0.261SS..Hα-helixtrans-62-45.5174-179.564.7000110.9Y183 G184 S189 G190 V191 V246Y183-L187 PolarHBondContact O-N 2.97Å; G184-L187 PolarHBondContact O-N 3.44Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.35Å; L187-G190 PolarHBondContact O-N 3.23Å; L187-G190 VanDerWaalsContact O-N 3.16Å; L187-V191 HydrophobicContact CD1-CG2 4.43Å; L187-V191 HydrophobicContact CG-CG2 4.44Å; L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.32Å; L187-V191 PolarHBondContact O-N 3.22Å; L187-V246 HydrophobicContact CD1-CG1 4.04Å; L187-V246 HydrophobicContact CD1-CG2 4.09Å
188L96.8Very high92Very high63 Ų6347.1 Ų47.133%0.3323%0.232SC..Hα-helixtrans-60-39.1176.6-177.460.5000112.1L164 S168 G184 W185 V191 S192L164-L188 HydrophobicContact CD1-CD2 4.43Å; S168-L188 WeakPolarHBondContact OG-CD2 3.42Å; G184-L188 WeakPolarHBondContact O-CB 3.4Å; G184-L188 PolarHBondContact O-N 2.91Å; W185-L188 HydrophobicContact CE3-CD2 3.96Å; W185-L188 HydrophobicContact CZ3-CD2 3.93Å; W185-L188 PolarHBondContact O-N 3.18Å; L188-V191 PolarHBondContact O-N 2.82Å; L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 2.68Å; L188-S192 PolarHBondContact O-OG 3.25Å
189S97.1Very high93.3Very high0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-60.2-49173.4-175.50000111.5A165 Y169 W185 L186 L187 S192 C193A165-S189 PolarHBondContact O-OG 2.95Å; Y169-S189 WeakPolarHBondContact CB-OG 3.31Å; W185-S189 WeakPolarHBondContact O-CB 3.48Å; W185-S189 PolarHBondContact O-N 3.5Å; L186-S189 WeakPolarHBondContact O-CB 3.46Å; L186-S189 PolarHBondContact O-N 3.43Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.35Å; S189-S192 PolarHBondContact O-N 3.25Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.4Å; S189-C193 VanDerWaalsContact O-SG 3.36Å
190G97.3Very high94.1Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-58-49.4175.500000113.3L186 L187 S192 C193 A194 C242L186-G190 PolarHBondContact O-N 3.3Å; L187-G190 PolarHBondContact O-N 3.23Å; L187-G190 VanDerWaalsContact O-N 3.16Å; G190-S192 VanDerWaalsContact C-N 3.28Å; G190-S192 PolarHBondContact O-N 2.97Å; G190-C193 PolarHBondContact O-N 3.42Å; G190-A194 VanDerWaalsContact O-CB 3.27Å; G190-A194 WeakPolarHBondContact O-CB 3.45Å; G190-A194 PolarHBondContact O-N 3.32Å; G190-C242 VanDerWaalsContact CA-O 3.25Å; G190-C242 WeakPolarHBondContact CA-O 3.49Å
191V97.8Very high94.7Very high55 Ų5526.2 Ų26.233%0.33315%0.146SC..Hα-helixtrans-58.5-41.8177.2174.30000111L187 L188 A194 A195 V246 L250L187-V191 HydrophobicContact CD1-CG2 4.43Å; L187-V191 HydrophobicContact CG-CG2 4.44Å; L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.32Å; L187-V191 PolarHBondContact O-N 3.22Å; L188-V191 PolarHBondContact O-N 2.82Å; V191-A194 PolarHBondContact O-N 3.16Å; V191-A195 WeakPolarHBondContact O-CB 3.3Å; V191-A195 PolarHBondContact O-N 3.23Å; V191-V246 HydrophobicContact CG2-CG1 4.34Å; V191-L250 HydrophobicContact CB-CD1 4.19Å; V191-L250 HydrophobicContact CG1-CD1 4.24Å; V191-L250 HydrophobicContact CG2-CD1 3.86Å
192S97.6Very high95Very high4 Ų423.4 Ų23.43%0.02813%0.125CC..Hα-helixtrans-72.2-38.5-179.2-61.80000112.6L164 L188 S189 G190 A194 A195 A196L164-S192 WeakPolarHBondContact CD2-OG 3.49Å; L164-S192 WeakPolarHBondContact CG-OG 3.45Å; L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 2.68Å; L188-S192 PolarHBondContact O-OG 3.25Å; S189-S192 PolarHBondContact O-N 3.25Å; G190-S192 VanDerWaalsContact C-N 3.28Å; G190-S192 PolarHBondContact O-N 2.97Å; S192-A194 VanDerWaalsContact C-N 3.29Å; S192-A194 PolarHBondContact O-N 2.87Å; S192-A195 PolarHBondContact O-N 3.25Å; S192-A196 WeakPolarHBondContact O-CB 3.27Å; S192-A196 PolarHBondContact O-N 2.87Å
193C96.7Very high95.3Very high5 Ų522.5 Ų22.53%0.03412%0.122CC..Hα-helixtrans-58.6-45.3171.1-750000111.4S189 G190 A196 V197 Y207S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.4Å; S189-C193 VanDerWaalsContact O-SG 3.36Å; G190-C193 PolarHBondContact O-N 3.42Å; C193-A196 WeakPolarHBondContact O-CB 3.25Å; C193-A196 PolarHBondContact O-N 3.15Å; C193-V197 WeakPolarHBondContact O-CG2 3.44Å; C193-V197 PolarHBondContact O-N 3.23Å; C193-Y207 HydrophobicContact CB-CD2 3.53Å; C193-Y207 HydrophobicContact CB-CE2 4.02Å; C193-Y207 HydrophobicContact CB-CG 4.25Å
194A97.1Very high95.5Very high3 Ų324.1 Ų24.13%0.02513%0.133CC..Hα-helixtrans-67.8-39.1-178.400000111.1G190 V191 S192 V197 G198 P247 L250 W254G190-A194 VanDerWaalsContact O-CB 3.27Å; G190-A194 WeakPolarHBondContact O-CB 3.45Å; G190-A194 PolarHBondContact O-N 3.32Å; V191-A194 PolarHBondContact O-N 3.16Å; S192-A194 VanDerWaalsContact C-N 3.29Å; S192-A194 PolarHBondContact O-N 2.87Å; A194-V197 PolarHBondContact O-N 2.89Å; A194-G198 PolarHBondContact O-N 2.95Å; A194-P247 VanDerWaalsContact CB-CA 3.41Å; A194-P247 HydrophobicContact CB-CB 3.65Å; A194-P247 HydrophobicContact CB-CG 4.3Å; A194-L250 HydrophobicContact CB-CB 4.25Å; A194-L250 HydrophobicContact CB-CD1 4.23Å; A194-W254 VanDerWaalsContact C-CZ3 3.48Å; A194-W254 HydrophobicContact CB-CH2 3.34Å; A194-W254 HydrophobicContact CB-CZ3 3.78Å; A194-W254 WeakPolarHBondContact O-CH2 3.47Å; A194-W254 WeakPolarHBondContact O-CZ3 3.1Å
195A97.2Very high95.5Very high6 Ų624.8 Ų24.85%0.0512%0.124CC..Hα-helixtrans-63.5-41170.900000112.4L67 F161 V191 S192 G198 V199L67-A195 HydrophobicContact CD2-CB 3.78Å; F161-A195 HydrophobicContact CB-CB 4.42Å; F161-A195 HydrophobicContact CD1-CB 3.75Å; F161-A195 HydrophobicContact CD2-CB 3.97Å; F161-A195 HydrophobicContact CE1-CB 3.92Å; F161-A195 HydrophobicContact CE2-CB 4.14Å; F161-A195 HydrophobicContact CG-CB 3.79Å; F161-A195 HydrophobicContact CZ-CB 4.11Å; V191-A195 WeakPolarHBondContact O-CB 3.3Å; V191-A195 PolarHBondContact O-N 3.23Å; S192-A195 PolarHBondContact O-N 3.25Å; A195-G198 CarbonylContact O-C 3.37Å; A195-G198 WeakPolarHBondContact O-CA 3.4Å; A195-G198 PolarHBondContact O-N 2.91Å; A195-G198 VanDerWaalsContact O-N 3.17Å; A195-V199 WeakPolarHBondContact O-CG2 3.25Å; A195-V199 PolarHBondContact O-N 3.26Å
196A96.8Very high95.5Very high2 Ų221 Ų212%0.01711%0.11CC..Hα-helixtrans-60.7-47.1176.600000112L158 F161 V162 S192 C193 G198 V199 K200L158-A196 HydrophobicContact CD1-CB 4.22Å; L158-A196 WeakPolarHBondContact CD1-O 3.28Å; F161-A196 HydrophobicContact CB-CB 3.91Å; V162-A196 HydrophobicContact CG2-CB 3.82Å; S192-A196 WeakPolarHBondContact O-CB 3.27Å; S192-A196 PolarHBondContact O-N 2.87Å; C193-A196 WeakPolarHBondContact O-CB 3.25Å; C193-A196 PolarHBondContact O-N 3.15Å; A196-G198 VanDerWaalsContact C-N 3.31Å; A196-G198 PolarHBondContact O-N 3.43Å; A196-V199 PolarHBondContact O-N 3.03Å; A196-K200 PolarHBondContact O-N 3.39Å
197V96.1Very high95.6Very high17 Ų1722.2 Ų22.210%0.10312%0.115CC..Hα-helixtrans-63.3-40173.6178.20000110.7P65 C193 A194 V199 K200 L204 Y207 Y251P65-V197 WeakPolarHBondContact CD-O 3.41Å; P65-V197 VanDerWaalsContact CG-O 3.23Å; P65-V197 WeakPolarHBondContact CG-O 3.17Å; C193-V197 WeakPolarHBondContact O-CG2 3.44Å; C193-V197 PolarHBondContact O-N 3.23Å; A194-V197 PolarHBondContact O-N 2.89Å; V197-V199 VanDerWaalsContact C-N 3.27Å; V197-V199 PolarHBondContact O-N 3.49Å; V197-K200 CarbonylContact O-C 3.54Å; V197-K200 PolarHBondContact O-N 3.48Å; V197-L204 HydrophobicContact CG2-CB 4.48Å; V197-Y207 HydrophobicContact CG2-CD1 4.36Å; V197-Y251 HydrophobicContact CG1-CD2 4.04Å; V197-Y251 HydrophobicContact CG1-CE2 3.94Å
198G95.4Very high95.6Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-62.7-28.7177.300000114.1P65 L67 A194 A195 A196P65-G198 CarbonylContact C-O 3.52Å; P65-G198 WeakPolarHBondContact CB-O 3.35Å; P65-G198 VanDerWaalsContact O-O 3.08Å; L67-G198 VanDerWaalsContact CB-C 3.5Å; L67-G198 WeakPolarHBondContact CB-O 3.44Å; L67-G198 PolarHBondContact N-O 3.18Å; A194-G198 PolarHBondContact O-N 2.95Å; A195-G198 CarbonylContact O-C 3.37Å; A195-G198 WeakPolarHBondContact O-CA 3.4Å; A195-G198 PolarHBondContact O-N 2.91Å; A195-G198 VanDerWaalsContact O-N 3.17Å; A196-G198 VanDerWaalsContact C-N 3.31Å; A196-G198 PolarHBondContact O-N 3.43Å
199V95.1Very high95.6Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-78.9-46.7176.6170.60000111L67 L154 L157 L158 F161 A195 A196 V197L67-V199 HydrophobicContact CD2-CG2 4.45Å; L67-V199 HydrophobicContact CG-CG2 4.44Å; L154-V199 HydrophobicContact CB-CG1 4.06Å; L157-V199 HydrophobicContact CB-CG1 4.47Å; L157-V199 HydrophobicContact CB-CG2 4.47Å; L158-V199 HydrophobicContact CB-CG1 4.1Å; F161-V199 HydrophobicContact CD2-CG2 3.97Å; F161-V199 HydrophobicContact CE2-CG2 3.98Å; A195-V199 WeakPolarHBondContact O-CG2 3.25Å; A195-V199 PolarHBondContact O-N 3.26Å; A196-V199 PolarHBondContact O-N 3.03Å; V197-V199 VanDerWaalsContact C-N 3.27Å; V197-V199 PolarHBondContact O-N 3.49Å
200K93.3Very high95.6Very high12 Ų1221 Ų215%0.05211%0.108CC..  trans-156.8145.6-178.8-156.1167.1-172.1169.70110.4S63 E155 L158 A196 V197 T202 G203S63-K200 WeakPolarHBondContact O-CG 3.25Å; E155-K200 IonicContact OE1-NZ 2.75Å; E155-K200 PolarHBondContact OE1-NZ 3.33Å; L158-K200 HydrophobicContact CD2-CB 4.31Å; A196-K200 PolarHBondContact O-N 3.39Å; V197-K200 CarbonylContact O-C 3.54Å; V197-K200 PolarHBondContact O-N 3.48Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 VanDerWaalsContact O-N 3.12Å; K200-G203 PolarHBondContact O-N 2.93Å
201Y91.8Very high95.5Very high53 Ų5322.9 Ų22.921%0.20812%0.118CC..THydrogen-bonded Turntrans-62-22.6179.1-74.6-55.9000113.9P65 G203 L204 Y251 Q524 M527P65-Y201 HydrophobicContact CG-CD1 3.81Å; P65-Y201 HydrophobicContact CG-CD2 4.47Å; P65-Y201 HydrophobicContact CG-CE1 3.44Å; P65-Y201 VanDerWaalsContact CG-CE1 3.44Å; P65-Y201 HydrophobicContact CG-CE2 4.15Å; P65-Y201 HydrophobicContact CG-CG 4.3Å; Y201-G203 PolarHBondContact O-N 2.92Å; Y201-L204 WeakPolarHBondContact O-CB 3.32Å; Y201-L204 PolarHBondContact O-N 3.31Å; Y201-Y251 PolarHBondContact OH-OH 2.95Å; Y201-Q524 PolarHBondContact OH-OE1 3.31Å; Y201-M527 HydrophobicContact CE2-CE 4.31Å
202T90.7Very high95.4Very high11 Ų1121.8 Ų21.87%0.06712%0.118CC..THydrogen-bonded Turntrans-59.4-26.1173.151.70000112.6L158 K200 L204 F205 F628L158-T202 WeakPolarHBondContact CD2-OG1 3.21Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 VanDerWaalsContact O-N 3.12Å; T202-L204 PolarHBondContact O-N 2.97Å; T202-F205 PolarHBondContact O-N 3.47Å; T202-F628 HydrophobicContact CG2-CE1 4.35Å; T202-F628 HydrophobicContact CG2-CZ 3.78Å
203G93.7Very high95.3Very high1 Ų122 Ų221%0.0112%0.12CC..Hα-helixtrans-61.8-22.7172.500000113.9K200 Y201 F205 S206 Y207K200-G203 PolarHBondContact O-N 2.93Å; Y201-G203 PolarHBondContact O-N 2.92Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 3.32Å; G203-S206 PolarHBondContact O-N 2.91Å; G203-Y207 WeakPolarHBondContact O-CB 3.44Å; G203-Y207 PolarHBondContact O-N 3.43Å
204L94.6Very high95.3Very high70 Ų7022 Ų2237%0.36612%0.12SC..Hα-helixtrans-60-40.8176.6-178.559.6000111.5V197 Y201 T202 S206 Y207 L208V197-L204 HydrophobicContact CG2-CB 4.48Å; Y201-L204 WeakPolarHBondContact O-CB 3.32Å; Y201-L204 PolarHBondContact O-N 3.31Å; T202-L204 PolarHBondContact O-N 2.97Å; L204-S206 PolarHBondContact O-N 2.96Å; L204-Y207 HydrophobicContact CD1-CD1 4.02Å; L204-Y207 PolarHBondContact O-N 2.93Å; L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CG-CD1 4.33Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 2.99Å
205F94.4Very high95.1Very high57 Ų5725.5 Ų25.525%0.2514%0.144CC..Hα-helixtrans-64.2-42-179.1-58-52.7000112.1T202 G203 L208 L209 V623 P627T202-F205 PolarHBondContact O-N 3.47Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 3.32Å; F205-L208 PolarHBondContact O-N 3.46Å; F205-L209 PolarHBondContact O-N 3.3Å; F205-L209 VanDerWaalsContact O-N 3.1Å; F205-V623 HydrophobicContact CB-CB 4.17Å; F205-V623 HydrophobicContact CB-CG2 4.47Å; F205-V623 VanDerWaalsContact CB-O 3.27Å; F205-V623 WeakPolarHBondContact CB-O 3.34Å; F205-P627 HydrophobicContact CD1-CG 3.97Å; F205-P627 HydrophobicContact CD2-CB 4.33Å; F205-P627 HydrophobicContact CD2-CG 4.09Å; F205-P627 HydrophobicContact CE1-CB 3.95Å; F205-P627 HydrophobicContact CE1-CG 3.89Å; F205-P627 HydrophobicContact CE2-CB 3.74Å; F205-P627 HydrophobicContact CE2-CG 4Å; F205-P627 HydrophobicContact CG-CG 4.08Å; F205-P627 HydrophobicContact CZ-CB 3.54Å; F205-P627 HydrophobicContact CZ-CG 3.9Å
206S94.9Very high95Very high3 Ų329.4 Ų29.42%0.02116%0.163CC..Hα-helixtrans-68.3-36.3175.3-68.30000112.2F166 G203 L204 L209 L210 N624F166-S206 WeakPolarHBondContact CZ-O 3.39Å; G203-S206 PolarHBondContact O-N 2.91Å; L204-S206 PolarHBondContact O-N 2.96Å; S206-L209 PolarHBondContact O-N 2.94Å; S206-L210 PolarHBondContact O-N 2.88Å; S206-N624 PolarHBondContact OG-ND2 3.39Å; S206-N624 PolarHBondContact OG-OD1 3.1Å; S206-N624 VanDerWaalsContact OG-OD1 3.09Å
207Y96.8Very high94.8Very high26 Ų2630.4 Ų30.410%0.10217%0.168CC..Hα-helixtrans-64.9-42.3173.4169.6-125.9000112.2C193 V197 G203 L204 L209 L210 L211 L243C193-Y207 HydrophobicContact CB-CD2 3.53Å; C193-Y207 HydrophobicContact CB-CE2 4.02Å; C193-Y207 HydrophobicContact CB-CG 4.25Å; V197-Y207 HydrophobicContact CG2-CD1 4.36Å; G203-Y207 WeakPolarHBondContact O-CB 3.44Å; G203-Y207 PolarHBondContact O-N 3.43Å; L204-Y207 HydrophobicContact CD1-CD1 4.02Å; L204-Y207 PolarHBondContact O-N 2.93Å; Y207-L209 VanDerWaalsContact C-N 3.32Å; Y207-L209 PolarHBondContact O-N 3.47Å; Y207-L210 WeakPolarHBondContact O-CB 3.44Å; Y207-L210 PolarHBondContact O-N 3.19Å; Y207-L210 VanDerWaalsContact O-N 3.13Å; Y207-L211 HydrophobicContact CD1-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CD1 4.43Å; Y207-L211 HydrophobicContact CD2-CG 4.13Å; Y207-L211 HydrophobicContact CE1-CD1 3.85Å; Y207-L211 HydrophobicContact CE2-CD1 3.9Å; Y207-L211 HydrophobicContact CE2-CD2 3.87Å; Y207-L211 HydrophobicContact CE2-CG 3.74Å; Y207-L211 WeakPolarHBondContact O-CG 3.3Å; Y207-L211 PolarHBondContact O-N 3.27Å; Y207-L243 WeakPolarHBondContact CE2-O 3.43Å; Y207-L243 PolarHBondContact OH-O 3.4Å
208L96.4Very high94.6Very high96 Ų9630.5 Ų30.550%0.50317%0.169SC..Hα-helixtrans-61-39.9174.5-70.9175.1000112L204 F205 L211 G212L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CG-CD1 4.33Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 2.99Å; F205-L208 PolarHBondContact O-N 3.46Å; L208-L211 PolarHBondContact O-N 2.86Å; L208-G212 PolarHBondContact O-N 3.23Å
209L96.6Very high94.5Very high18 Ų1839.8 Ų39.89%0.09420%0.204CC..Hα-helixtrans-60.7-45.7172.4176.165.6000111.5F166 F205 S206 Y207 L211 G212 V213 G620 V623F166-L209 HydrophobicContact CE1-CD2 4.39Å; F166-L209 HydrophobicContact CE1-CG 4.33Å; F166-L209 HydrophobicContact CZ-CB 4.16Å; F166-L209 HydrophobicContact CZ-CD2 3.82Å; F166-L209 HydrophobicContact CZ-CG 3.91Å; F205-L209 PolarHBondContact O-N 3.3Å; F205-L209 VanDerWaalsContact O-N 3.1Å; S206-L209 PolarHBondContact O-N 2.94Å; Y207-L209 VanDerWaalsContact C-N 3.32Å; Y207-L209 PolarHBondContact O-N 3.47Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.41Å; L209-G212 WeakPolarHBondContact O-CA 3.12Å; L209-G212 PolarHBondContact O-N 2.98Å; L209-G212 VanDerWaalsContact O-N 3.1Å; L209-V213 HydrophobicContact CD1-CG2 4.38Å; L209-V213 WeakPolarHBondContact O-CG2 3.45Å; L209-V213 PolarHBondContact O-N 3.4Å; L209-G620 VanDerWaalsContact CD2-CA 3.42Å; L209-G620 VanDerWaalsContact CD2-N 3.34Å; L209-V623 HydrophobicContact CB-CG1 4.33Å; L209-V623 HydrophobicContact CB-CG2 4.09Å; L209-V623 HydrophobicContact CD2-CG2 4.04Å
210L96.9Very high94.2Very high1 Ų146.2 Ų46.21%0.00523%0.232CC..Hα-helixtrans-61.1-42.5178-171.3144.7000111.7A165 F166 Y169 S206 Y207 G212 V213 A214 L243A165-L210 HydrophobicContact CB-CD1 4.07Å; F166-L210 HydrophobicContact CD1-CD1 4.02Å; F166-L210 HydrophobicContact CD1-CG 4.44Å; F166-L210 HydrophobicContact CD2-CD1 4.4Å; F166-L210 HydrophobicContact CE1-CB 3.83Å; F166-L210 HydrophobicContact CE1-CD1 4.18Å; F166-L210 HydrophobicContact CE1-CG 4.21Å; F166-L210 HydrophobicContact CE2-CB 4.36Å; F166-L210 HydrophobicContact CE2-CD1 4.5Å; F166-L210 HydrophobicContact CG-CD1 4.16Å; F166-L210 HydrophobicContact CZ-CB 3.75Å; F166-L210 HydrophobicContact CZ-CD1 4.42Å; Y169-L210 HydrophobicContact CD2-CD2 4.4Å; Y169-L210 HydrophobicContact CG-CD1 4.49Å; Y169-L210 HydrophobicContact CG-CD2 4.47Å; Y169-L210 HydrophobicContact CG-CG 4.4Å; S206-L210 PolarHBondContact O-N 2.88Å; Y207-L210 WeakPolarHBondContact O-CB 3.44Å; Y207-L210 PolarHBondContact O-N 3.19Å; Y207-L210 VanDerWaalsContact O-N 3.13Å; L210-G212 VanDerWaalsContact C-N 3.32Å; L210-G212 PolarHBondContact O-N 3.46Å; L210-V213 PolarHBondContact O-N 3.34Å; L210-A214 VanDerWaalsContact O-CB 3.32Å; L210-A214 WeakPolarHBondContact O-CB 3.24Å; L210-A214 PolarHBondContact O-N 3.09Å; L210-L243 HydrophobicContact CD2-CD1 4.18Å; L210-L243 HydrophobicContact CD2-CD2 3.92Å
211L96.6Very high94Very high40 Ų4046.8 Ų46.821%0.20924%0.236CC..Hα-helixtrans-61.6-39.6172.7-70.7-179.1000112Y207 L208 L209 A214 S215 L243Y207-L211 HydrophobicContact CD1-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CD1 4.43Å; Y207-L211 HydrophobicContact CD2-CG 4.13Å; Y207-L211 HydrophobicContact CE1-CD1 3.85Å; Y207-L211 HydrophobicContact CE2-CD1 3.9Å; Y207-L211 HydrophobicContact CE2-CD2 3.87Å; Y207-L211 HydrophobicContact CE2-CG 3.74Å; Y207-L211 WeakPolarHBondContact O-CG 3.3Å; Y207-L211 PolarHBondContact O-N 3.27Å; L208-L211 PolarHBondContact O-N 2.86Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.41Å; L211-A214 PolarHBondContact O-N 2.91Å; L211-S215 VanDerWaalsContact O-CB 3.31Å; L211-S215 WeakPolarHBondContact O-CB 3.36Å; L211-S215 PolarHBondContact O-N 2.82Å; L211-S215 PolarHBondContact O-OG 2.9Å; L211-L243 HydrophobicContact CD2-CB 3.98Å
212G95.9Very high94Very high33 Ų3349.4 Ų49.434%0.3425%0.252SS..Hα-helixtrans-61.1-4817400000112.5L208 L209 L210 A214 S215 L216L208-G212 PolarHBondContact O-N 3.23Å; L209-G212 WeakPolarHBondContact O-CA 3.12Å; L209-G212 PolarHBondContact O-N 2.98Å; L209-G212 VanDerWaalsContact O-N 3.1Å; L210-G212 VanDerWaalsContact C-N 3.32Å; L210-G212 PolarHBondContact O-N 3.46Å; G212-A214 VanDerWaalsContact C-N 3.34Å; G212-A214 PolarHBondContact O-N 2.95Å; G212-S215 PolarHBondContact O-N 3.46Å; G212-L216 WeakPolarHBondContact O-CG 3.46Å; G212-L216 PolarHBondContact O-N 3.27Å
213V94.9Very high93.9Very high9 Ų951.8 Ų51.86%0.05528%0.279CS..Hα-helixtrans-61.2-43.3174.6175.60000110.4Y169 L209 L210 S215 L216 H217 L615Y169-V213 HydrophobicContact CD1-CG1 4.41Å; Y169-V213 HydrophobicContact CE1-CG1 3.74Å; L209-V213 HydrophobicContact CD1-CG2 4.38Å; L209-V213 WeakPolarHBondContact O-CG2 3.45Å; L209-V213 PolarHBondContact O-N 3.4Å; L210-V213 PolarHBondContact O-N 3.34Å; V213-S215 VanDerWaalsContact C-N 3.33Å; V213-S215 PolarHBondContact O-N 3.43Å; V213-L216 PolarHBondContact O-N 3.46Å; V213-H217 PolarHBondContact O-N 3.41Å; V213-L615 HydrophobicContact CG2-CD2 3.96Å; V213-L615 HydrophobicContact CG2-CG 4.06Å
214A95.3Very high93.7Very high5 Ų555.1 Ų55.14%0.04130%0.297CS..Hα-helixtrans-63.1-38.2176.800000113.4Y169 L210 L211 G212 H217 S218 L243Y169-A214 HydrophobicContact CE2-CB 3.78Å; Y169-A214 VanDerWaalsContact OH-CA 3.25Å; Y169-A214 WeakPolarHBondContact OH-CA 3.5Å; L210-A214 VanDerWaalsContact O-CB 3.32Å; L210-A214 WeakPolarHBondContact O-CB 3.24Å; L210-A214 PolarHBondContact O-N 3.09Å; L211-A214 PolarHBondContact O-N 2.91Å; G212-A214 VanDerWaalsContact C-N 3.34Å; G212-A214 PolarHBondContact O-N 2.95Å; A214-H217 PolarHBondContact O-N 3.05Å; A214-S218 WeakPolarHBondContact O-CB 3.36Å; A214-S218 PolarHBondContact O-N 2.96Å; A214-S218 PolarHBondContact O-OG 3.17Å; A214-L243 HydrophobicContact CB-CD1 3.76Å
215S94.5Very high93.4Very high76 Ų7661.1 Ų61.153%0.53132%0.323SS..Hα-helixtrans-66.8-45.8175.9-59.30000110.9L211 G212 V213 H217 S218 W219L211-S215 VanDerWaalsContact O-CB 3.31Å; L211-S215 WeakPolarHBondContact O-CB 3.36Å; L211-S215 PolarHBondContact O-N 2.82Å; L211-S215 PolarHBondContact O-OG 2.9Å; G212-S215 PolarHBondContact O-N 3.46Å; V213-S215 VanDerWaalsContact C-N 3.33Å; V213-S215 PolarHBondContact O-N 3.43Å; S215-H217 PolarHBondContact O-N 3.03Å; S215-S218 PolarHBondContact O-N 2.83Å; S215-S218 VanDerWaalsContact O-N 3.14Å; S215-W219 WeakPolarHBondContact O-CB 3.44Å; S215-W219 PolarHBondContact O-N 3.5Å
216L93.7Very high93Very high87 Ų8762.4 Ų62.446%0.45534%0.344SS..Hα-helixtrans-61.2-40.9175.8-71.6171000112.5G212 V213 S218 W219 K220 L615G212-L216 WeakPolarHBondContact O-CG 3.46Å; G212-L216 PolarHBondContact O-N 3.27Å; V213-L216 PolarHBondContact O-N 3.46Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-W219 PolarHBondContact O-N 3.48Å; L216-K220 WeakPolarHBondContact O-CG 3.5Å; L216-K220 PolarHBondContact O-N 3.28Å; L216-K220 VanDerWaalsContact O-N 3.1Å; L216-L615 HydrophobicContact CD1-CD1 4.34Å; L216-L615 HydrophobicContact CD1-CD2 3.65Å
217H92.4Very high92.6Very high24 Ų2466.1 Ų66.111%0.11136%0.361CS..Hα-helixtrans-68.2-34.4175.8-70.5-175.3000112.1Y169 H173 V213 A214 S215 L221Y169-H217 AromaticContact CE1-ND1 3.72Å; Y169-H217 AromaticContact CZ-ND1 3.82Å; Y169-H217 WeakPolarHBondContact OH-CB 3.27Å; Y169-H217 PolarHBondContact OH-ND1 3.49Å; H173-H217 AromaticContact CD2-CE1 3.61Å; H173-H217 AromaticContact CD2-ND1 3.71Å; H173-H217 AromaticContact CE1-CE1 3.87Å; H173-H217 AromaticContact CE1-CG 3.73Å; H173-H217 AromaticContact CE1-ND1 3.4Å; H173-H217 PolarHBondContact CE1-ND1 3.23Å; H173-H217 AromaticContact CG-CE1 3.8Å; H173-H217 AromaticContact CG-ND1 3.46Å; H173-H217 AromaticContact ND1-CE1 3.96Å; H173-H217 AromaticContact ND1-CG 3.9Å; H173-H217 AromaticContact ND1-ND1 3.27Å; H173-H217 PolarHBondContact ND1-ND1 3.39Å; H173-H217 AromaticContact NE2-CE1 3.65Å; H173-H217 AromaticContact NE2-ND1 3.66Å; V213-H217 PolarHBondContact O-N 3.41Å; A214-H217 PolarHBondContact O-N 3.05Å; S215-H217 PolarHBondContact O-N 3.03Å; H217-L221 PolarHBondContact O-N 3.34Å; H217-L221 VanDerWaalsContact O-N 3.11Å
218S92.2Very high92.2Very high18 Ų1868.3 Ų68.313%0.12638%0.38CS..Hα-helixtrans-70.4-38.7175.2-54.50000111.4A214 S215 L216 K220 L221 I222 K239A214-S218 WeakPolarHBondContact O-CB 3.36Å; A214-S218 PolarHBondContact O-N 2.96Å; A214-S218 PolarHBondContact O-OG 3.17Å; S215-S218 PolarHBondContact O-N 2.83Å; S215-S218 VanDerWaalsContact O-N 3.14Å; L216-S218 VanDerWaalsContact C-N 3.33Å; S218-K220 PolarHBondContact O-N 3.23Å; S218-L221 WeakPolarHBondContact O-CB 3.36Å; S218-L221 PolarHBondContact O-N 3.45Å; S218-L221 VanDerWaalsContact O-N 3.16Å; S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.49Å; S218-I222 PolarHBondContact O-N 3Å; S218-K239 VanDerWaalsContact OG-CD 3.31Å; S218-K239 WeakPolarHBondContact OG-CD 3.42Å; S218-K239 PolarHBondContact OG-NZ 3.07Å
219W93Very high91.9Very high195 Ų19571.8 Ų71.874%0.73939%0.394SS*.Hα-helixtrans-58.9-45.5173.2-174.6-96000112.1S215 L216 L221 I222 G223S215-W219 WeakPolarHBondContact O-CB 3.44Å; S215-W219 PolarHBondContact O-N 3.5Å; L216-W219 PolarHBondContact O-N 3.48Å; W219-L221 VanDerWaalsContact C-N 3.32Å; W219-L221 PolarHBondContact O-N 3.02Å; W219-I222 PolarHBondContact O-N 3.25Å; W219-G223 PolarHBondContact O-N 3.35Å
220K90.3Very high91.5Very high135 Ų13577.6 Ų77.659%0.58742%0.422SS*.Hα-helixtrans-62.6-37.4174.7-70.2177.3-176176.70112.7L216 S218 G223 D224L216-K220 WeakPolarHBondContact O-CG 3.5Å; L216-K220 PolarHBondContact O-N 3.28Å; L216-K220 VanDerWaalsContact O-N 3.1Å; S218-K220 PolarHBondContact O-N 3.23Å; K220-G223 PolarHBondContact O-N 3Å; K220-D224 PolarHBondContact O-N 3.22Å
221L89.4Confident91Very high24 Ų2479.1 Ų79.113%0.12643%0.433CS..Hα-helixtrans-66.7-38.7177-179.667.4000112H217 S218 W219 G223 D224 Q227 V232 Q235H217-L221 PolarHBondContact O-N 3.34Å; H217-L221 VanDerWaalsContact O-N 3.11Å; S218-L221 WeakPolarHBondContact O-CB 3.36Å; S218-L221 PolarHBondContact O-N 3.45Å; S218-L221 VanDerWaalsContact O-N 3.16Å; W219-L221 VanDerWaalsContact C-N 3.32Å; W219-L221 PolarHBondContact O-N 3.02Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 3.31Å; L221-D224 PolarHBondContact O-N 3.31Å; L221-Q227 HydrophobicContact CD1-CG 4.14Å; L221-V232 HydrophobicContact CD2-CG1 4.4Å; L221-V232 HydrophobicContact CG-CG1 4.33Å; L221-V232 HydrophobicContact CG-CG2 4.22Å; L221-Q235 HydrophobicContact CD2-CB 4.05Å
222I90.4Very high90.7Very high108 Ų10878 Ų7855%0.55443%0.428SS*.Hα-helixtrans-64.4-34.2177-67.5161.8000111S218 W219 D224 V232S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.49Å; S218-I222 PolarHBondContact O-N 3Å; W219-I222 PolarHBondContact O-N 3.25Å; I222-D224 VanDerWaalsContact C-N 3.29Å; I222-D224 PolarHBondContact O-N 3.03Å; I222-V232 HydrophobicContact CG1-CG1 3.88Å
223G89.6Confident90.4Very high62 Ų6280.5 Ų80.564%0.63944%0.439SS*.THydrogen-bonded Turntrans-77.4-7176.300000115.3W219 K220 L221 Q225W219-G223 PolarHBondContact O-N 3.35Å; K220-G223 PolarHBondContact O-N 3Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 3.31Å; G223-Q225 PolarHBondContact O-N 3.21Å
224D88.9Confident90.2Very high71 Ų7183.6 Ų83.638%0.3846%0.458SS..  trans-84.3106.7-178-173.43.4000111.3K220 L221 I222 A226 Q227K220-D224 PolarHBondContact O-N 3.22Å; L221-D224 PolarHBondContact O-N 3.31Å; I222-D224 VanDerWaalsContact C-N 3.29Å; I222-D224 PolarHBondContact O-N 3.03Å; D224-A226 PolarHBondContact O-N 3.03Å; D224-A226 WeakPolarHBondContact OD1-CB 3.08Å; D224-A226 PolarHBondContact OD1-N 3.03Å; D224-Q227 HydrophobicContact CB-CG 4.49Å; D224-Q227 PolarHBondContact O-N 2.71Å
225Q88.1Confident89.9Confident196 Ų19684.3 Ų84.392%0.91646%0.46SS*.THydrogen-bonded Turntrans-69.1-13.4-179.9-65.7-176.7-14.100113.6G223 Q227G223-Q225 PolarHBondContact O-N 3.21Å; Q225-Q227 VanDerWaalsContact C-N 3.29Å; Q225-Q227 PolarHBondContact O-N 2.96Å
226A85.8Confident89.8Confident84 Ų8482.3 Ų82.369%0.69445%0.446SS*.THydrogen-bonded Turntrans-76.9-15.3178.500000113.2D224D224-A226 PolarHBondContact O-N 3.03Å; D224-A226 WeakPolarHBondContact OD1-CB 3.08Å; D224-A226 PolarHBondContact OD1-N 3.03Å
227Q86.3Confident89.8Confident80 Ų8080 Ų8037%0.37444%0.444SS..SBendtrans-99.7141.7-177-63-66.2-26.400111.5L221 D224 Q225 V232L221-Q227 HydrophobicContact CD1-CG 4.14Å; D224-Q227 HydrophobicContact CB-CG 4.49Å; D224-Q227 PolarHBondContact O-N 2.71Å; Q225-Q227 VanDerWaalsContact C-N 3.29Å; Q225-Q227 PolarHBondContact O-N 2.96Å; Q227-V232 HydrophobicContact CB-CG2 3.94Å
228S89.5Confident89.8Confident73 Ų7383.1 Ų83.151%0.5145%0.454SS..  trans-70.7144.6173.869.90000111.3M230 S231 V232S228-M230 PolarHBondContact O-N 2.89Å; S228-S231 WeakPolarHBondContact O-CB 3.31Å; S228-S231 PolarHBondContact O-N 2.98Å; S228-S231 WeakPolarHBondContact OG-CB 3.46Å; S228-S231 PolarHBondContact OG-N 2.9Å; S228-V232 PolarHBondContact O-N 3.01Å; S228-V232 VanDerWaalsContact O-N 3.1Å
229H89.1Confident89.8Confident168 Ų16883 Ų8378%0.77845%0.451SS*.Hα-helixtrans-53.5-39.5177.9-62.9-66.1000112.6V232 C233H229-V232 PolarHBondContact O-N 3.4Å; H229-C233 PolarHBondContact O-N 3.17Å; H229-C233 PolarHBondContact O-SG 3.44Å; H229-C233 VanDerWaalsContact O-SG 3.33Å
230M88.4Confident89.9Confident140 Ų14077.6 Ų77.669%0.6944%0.44SS*.Hα-helixtrans-63-43177-170.662.568.200112.3S228 V232 C233 V234S228-M230 PolarHBondContact O-N 2.89Å; M230-V232 VanDerWaalsContact C-N 3.32Å; M230-V232 PolarHBondContact O-N 3Å; M230-C233 PolarHBondContact O-N 3.36Å; M230-V234 WeakPolarHBondContact O-CG2 3.31Å; M230-V234 PolarHBondContact O-N 3.36Å
231S86.6Confident90.2Very high34 Ų3474.9 Ų74.924%0.23843%0.431CS..Hα-helixtrans-61.1-42.3176.61790000111.2S228 V234 Q235S228-S231 WeakPolarHBondContact O-CB 3.31Å; S228-S231 PolarHBondContact O-N 2.98Å; S228-S231 WeakPolarHBondContact OG-CB 3.46Å; S228-S231 PolarHBondContact OG-N 2.9Å; S231-V234 PolarHBondContact O-N 3.33Å; S231-Q235 WeakPolarHBondContact O-CB 3.32Å; S231-Q235 VanDerWaalsContact O-CG 3.31Å; S231-Q235 WeakPolarHBondContact O-CG 3.43Å; S231-Q235 PolarHBondContact O-N 3.39Å; S231-Q235 PolarHBondContact OG-NE2 3.18Å
232V89.8Confident90.5Very high17 Ų1773.8 Ų73.810%0.10343%0.426CS..Hα-helixtrans-63.3-47.9176.7178.90000110.9L221 I222 Q227 S228 H229 M230 V234 Q235 C236L221-V232 HydrophobicContact CD2-CG1 4.4Å; L221-V232 HydrophobicContact CG-CG1 4.33Å; L221-V232 HydrophobicContact CG-CG2 4.22Å; I222-V232 HydrophobicContact CG1-CG1 3.88Å; Q227-V232 HydrophobicContact CB-CG2 3.94Å; S228-V232 PolarHBondContact O-N 3.01Å; S228-V232 VanDerWaalsContact O-N 3.1Å; H229-V232 PolarHBondContact O-N 3.4Å; M230-V232 VanDerWaalsContact C-N 3.32Å; M230-V232 PolarHBondContact O-N 3Å; V232-V234 PolarHBondContact O-N 3.05Å; V232-Q235 PolarHBondContact O-N 3.37Å; V232-C236 WeakPolarHBondContact O-CB 3.32Å; V232-C236 PolarHBondContact O-N 3.39Å; V232-C236 PolarHBondContact O-SG 3.32Å
233C90.6Very high90.7Very high85 Ų8568.8 Ų68.857%0.57440%0.4SS*.Hα-helixtrans-58-45.6177.6-71.60000112.4H229 M230 C236 G237H229-C233 PolarHBondContact O-N 3.17Å; H229-C233 PolarHBondContact O-SG 3.44Å; H229-C233 VanDerWaalsContact O-SG 3.33Å; M230-C233 PolarHBondContact O-N 3.36Å; C233-C236 PolarHBondContact O-N 3.5Å; C233-G237 PolarHBondContact O-N 2.89Å
234V90.8Very high91Very high73 Ų7370.1 Ų70.144%0.44239%0.392SS..Hα-helixtrans-63.6-44178.5171.30000111.4M230 S231 V232 G237 W238M230-V234 WeakPolarHBondContact O-CG2 3.31Å; M230-V234 PolarHBondContact O-N 3.36Å; S231-V234 PolarHBondContact O-N 3.33Å; V232-V234 PolarHBondContact O-N 3.05Å; V234-G237 PolarHBondContact O-N 3.28Å; V234-W238 PolarHBondContact O-N 3.32Å
235Q89.4Confident91.4Very high21 Ų2169.6 Ų69.610%0.09839%0.391CS..Hα-helixtrans-65.5-39.6178.4-72.6-177.146.300112.2L221 S231 V232 K239L221-Q235 HydrophobicContact CD2-CB 4.05Å; S231-Q235 WeakPolarHBondContact O-CB 3.32Å; S231-Q235 VanDerWaalsContact O-CG 3.31Å; S231-Q235 WeakPolarHBondContact O-CG 3.43Å; S231-Q235 PolarHBondContact O-N 3.39Å; S231-Q235 PolarHBondContact OG-NE2 3.18Å; V232-Q235 PolarHBondContact O-N 3.37Å; Q235-K239 WeakPolarHBondContact O-CG 3.35Å; Q235-K239 PolarHBondContact O-N 3.18Å; Q235-K239 VanDerWaalsContact O-N 3.13Å
236C91.8Very high91.8Very high33 Ų3361.6 Ų61.622%0.22336%0.356CS..Hα-helixtrans-66.2-42.9173.9-75.60000111.6V232 C233 W238 K239 V240V232-C236 WeakPolarHBondContact O-CB 3.32Å; V232-C236 PolarHBondContact O-N 3.39Å; V232-C236 PolarHBondContact O-SG 3.32Å; C233-C236 PolarHBondContact O-N 3.5Å; C236-W238 PolarHBondContact O-N 3.36Å; C236-K239 WeakPolarHBondContact O-CB 3.43Å; C236-K239 PolarHBondContact O-N 3.33Å; C236-V240 WeakPolarHBondContact O-CG2 3.36Å; C236-V240 PolarHBondContact O-N 3.39Å
237G92.9Very high92.3Very high40 Ų4058 Ų5841%0.41233%0.325SS..Hα-helixtrans-58.5-44.5175.400000112.5C233 V234 K239 V240 L241C233-G237 PolarHBondContact O-N 2.89Å; V234-G237 PolarHBondContact O-N 3.28Å; G237-K239 PolarHBondContact O-N 2.82Å; G237-V240 PolarHBondContact O-N 2.96Å; G237-L241 WeakPolarHBondContact O-CB 3.16Å; G237-L241 PolarHBondContact O-N 2.92Å
238W92.4Very high92.8Very high88 Ų8858.1 Ų58.133%0.33333%0.332SS..Hα-helixtrans-63.2-38.6174.8-97111.3000113.4Y183 L186 V234 C236 L241 C242Y183-W238 HydrophobicContact CD1-CB 3.85Å; Y183-W238 AromaticContact CD1-CD2 3.86Å; Y183-W238 HydrophobicContact CD1-CD2 3.86Å; Y183-W238 HydrophobicContact CD1-CE3 4.35Å; Y183-W238 AromaticContact CD1-CG 3.62Å; Y183-W238 HydrophobicContact CD1-CG 3.62Å; Y183-W238 HydrophobicContact CE1-CB 3.62Å; Y183-W238 AromaticContact CE1-CD1 3.63Å; Y183-W238 HydrophobicContact CE1-CD2 4.25Å; Y183-W238 AromaticContact CE1-CG 3.54Å; Y183-W238 HydrophobicContact CE1-CG 3.54Å; Y183-W238 HydrophobicContact CG-CD2 4.41Å; L186-W238 HydrophobicContact CD2-CB 4.31Å; V234-W238 PolarHBondContact O-N 3.32Å; C236-W238 PolarHBondContact O-N 3.36Å; W238-L241 HydrophobicContact CE3-CD2 4.01Å; W238-L241 HydrophobicContact CH2-CD2 4.3Å; W238-L241 HydrophobicContact CZ3-CD2 3.82Å; W238-L241 PolarHBondContact O-N 2.9Å; W238-C242 VanDerWaalsContact CZ3-SG 3.6Å; W238-C242 WeakPolarHBondContact O-CB 3.33Å; W238-C242 PolarHBondContact O-N 3.39Å
239K93.4Very high93.1Very high15 Ų1560.1 Ų60.17%0.06534%0.336CS..Hα-helixtrans-63.7-44.2173.9-72.2169.7-179.4169.60111.5F172 L186 S218 Q235 C236 G237 L243F172-K239 HydrophobicContact CZ-CG 4.44Å; L186-K239 HydrophobicContact CD2-CG 4.26Å; S218-K239 VanDerWaalsContact OG-CD 3.31Å; S218-K239 WeakPolarHBondContact OG-CD 3.42Å; S218-K239 PolarHBondContact OG-NZ 3.07Å; Q235-K239 WeakPolarHBondContact O-CG 3.35Å; Q235-K239 PolarHBondContact O-N 3.18Å; Q235-K239 VanDerWaalsContact O-N 3.13Å; C236-K239 WeakPolarHBondContact O-CB 3.43Å; C236-K239 PolarHBondContact O-N 3.33Å; G237-K239 PolarHBondContact O-N 2.82Å; K239-L243 WeakPolarHBondContact O-CA 3.46Å; K239-L243 WeakPolarHBondContact O-CB 3.29Å; K239-L243 PolarHBondContact O-N 3.38Å
240V94.7Very high93.5Very high83 Ų8354.2 Ų54.250%0.50331%0.31SS..Hα-helixtrans-62.8-45.4176.3174.10000110.7C236 G237 L244 V245C236-V240 WeakPolarHBondContact O-CG2 3.36Å; C236-V240 PolarHBondContact O-N 3.39Å; G237-V240 PolarHBondContact O-N 2.96Å; V240-L244 HydrophobicContact CG1-CB 4.47Å; V240-L244 HydrophobicContact CG1-CD2 4.37Å; V240-L244 WeakPolarHBondContact O-CA 3.37Å; V240-L244 WeakPolarHBondContact O-CB 3.28Å; V240-L244 PolarHBondContact O-N 2.9Å; V240-V245 PolarHBondContact O-N 3.35Å
241L95.5Very high93.8Very high77 Ų7749.3 Ų49.340%0.40328%0.284SS..Iπ-helixtrans-60.2-53.8178.5-178.364000111.8G237 W238 V245 V246G237-L241 WeakPolarHBondContact O-CB 3.16Å; G237-L241 PolarHBondContact O-N 2.92Å; W238-L241 HydrophobicContact CE3-CD2 4.01Å; W238-L241 HydrophobicContact CH2-CD2 4.3Å; W238-L241 HydrophobicContact CZ3-CD2 3.82Å; W238-L241 PolarHBondContact O-N 2.9Å; L241-V245 HydrophobicContact CD1-CB 4.13Å; L241-V245 HydrophobicContact CD1-CG1 4.25Å; L241-V245 HydrophobicContact CD1-CG2 4.49Å; L241-V245 WeakPolarHBondContact O-CB 3.49Å; L241-V245 PolarHBondContact O-N 2.95Å; L241-V246 WeakPolarHBondContact O-CG2 3.15Å; L241-V246 PolarHBondContact O-N 3.4Å
242C96.2Very high94.3Very high1 Ų148.9 Ų48.91%0.00728%0.28CS..Iπ-helixtrans-78.6-32.6-174.5-740000114.3L186 G190 W238 P247L186-C242 HydrophobicContact CB-CB 4.49Å; L186-C242 HydrophobicContact CD2-CB 3.95Å; L186-C242 HydrophobicContact CG-CB 3.66Å; G190-C242 VanDerWaalsContact CA-O 3.25Å; G190-C242 WeakPolarHBondContact CA-O 3.49Å; W238-C242 VanDerWaalsContact CZ3-SG 3.6Å; W238-C242 WeakPolarHBondContact O-CB 3.33Å; W238-C242 PolarHBondContact O-N 3.39Å; C242-P247 WeakPolarHBondContact O-CD 3.38Å
243L95.8Very high94.6Very high4 Ų453.3 Ų53.32%0.02130%0.298CS..Iπ-helixtrans-99.4-9.7-176.3-59178000113.5Y169 L186 Y207 L210 L211 A214 K239Y169-L243 HydrophobicContact CD2-CD1 4.25Å; Y169-L243 HydrophobicContact CE2-CD1 4.17Å; L186-L243 HydrophobicContact CD1-CD1 3.96Å; L186-L243 HydrophobicContact CD1-CD2 3.99Å; L186-L243 HydrophobicContact CD1-CG 3.87Å; Y207-L243 WeakPolarHBondContact CE2-O 3.43Å; Y207-L243 PolarHBondContact OH-O 3.4Å; L210-L243 HydrophobicContact CD2-CD1 4.18Å; L210-L243 HydrophobicContact CD2-CD2 3.92Å; L211-L243 HydrophobicContact CD2-CB 3.98Å; A214-L243 HydrophobicContact CB-CD1 3.76Å; K239-L243 WeakPolarHBondContact O-CA 3.46Å; K239-L243 WeakPolarHBondContact O-CB 3.29Å; K239-L243 PolarHBondContact O-N 3.38Å
244L95.5Very high94.8Very high89 Ų8950.9 Ų50.947%0.46628%0.277SS..Iπ-helixtrans-121.4-57.5176.7-166.394.7000111.7V240 V248V240-L244 HydrophobicContact CG1-CB 4.47Å; V240-L244 HydrophobicContact CG1-CD2 4.37Å; V240-L244 WeakPolarHBondContact O-CA 3.37Å; V240-L244 WeakPolarHBondContact O-CB 3.28Å; V240-L244 PolarHBondContact O-N 2.9Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.16Å; L244-V248 PolarHBondContact O-N 3.39Å
245V96.7Very high95Very high60 Ų6047.5 Ų47.536%0.36426%0.256SS..Iπ-helixtrans-69.5-51.2-172.8-1800000111.4V240 L241 V248 L249V240-V245 PolarHBondContact O-N 3.35Å; L241-V245 HydrophobicContact CD1-CB 4.13Å; L241-V245 HydrophobicContact CD1-CG1 4.25Å; L241-V245 HydrophobicContact CD1-CG2 4.49Å; L241-V245 WeakPolarHBondContact O-CB 3.49Å; L241-V245 PolarHBondContact O-N 2.95Å; V245-V248 PolarHBondContact O-N 3.47Å; V245-L249 HydrophobicContact CG1-CD1 3.9Å; V245-L249 HydrophobicContact CG1-CG 4.31Å; V245-L249 WeakPolarHBondContact O-CG 3.31Å; V245-L249 PolarHBondContact O-N 3.25Å
246V96.5Very high95.3Very high29 Ų2952.6 Ų52.618%0.17628%0.275CS..Hα-helixtrans-58.2-47.4179.5168.40000111.7L187 V191 L241 V248 L249 L250L187-V246 HydrophobicContact CD1-CG1 4.04Å; L187-V246 HydrophobicContact CD1-CG2 4.09Å; V191-V246 HydrophobicContact CG2-CG1 4.34Å; L241-V246 WeakPolarHBondContact O-CG2 3.15Å; L241-V246 PolarHBondContact O-N 3.4Å; V246-V248 PolarHBondContact O-N 2.9Å; V246-L249 PolarHBondContact O-N 3.33Å; V246-L250 HydrophobicContact CG1-CD1 3.71Å; V246-L250 HydrophobicContact CG1-CG 4.23Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 2.84Å
247P96.5Very high95.4Very high8 Ų853.2 Ų53.25%0.05228%0.278CS..Hα-helixtrans-58.5-42.2176.9-31.136.8000115A194 C242 L250 Y251A194-P247 VanDerWaalsContact CB-CA 3.41Å; A194-P247 HydrophobicContact CB-CB 3.65Å; A194-P247 HydrophobicContact CB-CG 4.3Å; C242-P247 WeakPolarHBondContact O-CD 3.38Å; P247-L250 PolarHBondContact O-N 2.9Å; P247-Y251 WeakPolarHBondContact O-CB 3.26Å; P247-Y251 PolarHBondContact O-N 2.96Å
248V95.9Very high95.5Very high83 Ų8351.9 Ų51.950%0.50326%0.261SS..Hα-helixtrans-66-44.4178.6171.40000111L244 V245 V246 L250 Y251 V252L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.16Å; L244-V248 PolarHBondContact O-N 3.39Å; V245-V248 PolarHBondContact O-N 3.47Å; V246-V248 PolarHBondContact O-N 2.9Å; V248-L250 VanDerWaalsContact C-N 3.34Å; V248-L250 PolarHBondContact O-N 2.63Å; V248-Y251 WeakPolarHBondContact O-CB 3.36Å; V248-Y251 PolarHBondContact O-N 2.88Å; V248-V252 WeakPolarHBondContact O-CG2 3.4Å; V248-V252 PolarHBondContact O-N 3.1Å
249L96.8Very high95.5Very high114 Ų11448.6 Ų48.660%0.59725%0.25SC*.Hα-helixtrans-62-44178.1-71.2177000111.8V245 V246 Y251 V252 F253V245-L249 HydrophobicContact CG1-CD1 3.9Å; V245-L249 HydrophobicContact CG1-CG 4.31Å; V245-L249 WeakPolarHBondContact O-CG 3.31Å; V245-L249 PolarHBondContact O-N 3.25Å; V246-L249 PolarHBondContact O-N 3.33Å; L249-Y251 VanDerWaalsContact C-N 3.33Å; L249-V252 PolarHBondContact O-N 2.97Å; L249-F253 WeakPolarHBondContact O-CB 3.36Å; L249-F253 PolarHBondContact O-N 3.14Å
250L96.9Very high95.5Very high45 Ų4550.1 Ų50.124%0.23626%0.262CS..Hα-helixtrans-66.8-38.3177.1-65.8171.2000111.2V191 A194 V246 P247 V248 V252 F253 W254V191-L250 HydrophobicContact CB-CD1 4.19Å; V191-L250 HydrophobicContact CG1-CD1 4.24Å; V191-L250 HydrophobicContact CG2-CD1 3.86Å; A194-L250 HydrophobicContact CB-CB 4.25Å; A194-L250 HydrophobicContact CB-CD1 4.23Å; V246-L250 HydrophobicContact CG1-CD1 3.71Å; V246-L250 HydrophobicContact CG1-CG 4.23Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 2.84Å; P247-L250 PolarHBondContact O-N 2.9Å; V248-L250 VanDerWaalsContact C-N 3.34Å; V248-L250 PolarHBondContact O-N 2.63Å; L250-V252 VanDerWaalsContact C-N 3.35Å; L250-V252 PolarHBondContact O-N 2.92Å; L250-F253 WeakPolarHBondContact O-CA 3.32Å; L250-F253 WeakPolarHBondContact O-CB 3.28Å; L250-F253 PolarHBondContact O-N 3.31Å; L250-W254 HydrophobicContact CB-CE3 4.39Å; L250-W254 HydrophobicContact CB-CH2 3.08Å; L250-W254 HydrophobicContact CB-CZ2 3.45Å; L250-W254 VanDerWaalsContact CB-CZ2 3.45Å; L250-W254 HydrophobicContact CB-CZ3 3.62Å; L250-W254 HydrophobicContact CD1-CH2 4.12Å; L250-W254 HydrophobicContact CD1-CZ2 4.24Å; L250-W254 HydrophobicContact CD2-CZ2 4.44Å; L250-W254 HydrophobicContact CG-CH2 4.17Å; L250-W254 HydrophobicContact CG-CZ2 4.27Å; L250-W254 VanDerWaalsContact O-CZ3 3.28Å; L250-W254 WeakPolarHBondContact O-CZ3 3.27Å; L250-W254 PolarHBondContact O-N 2.92Å
251Y95.7Very high95.4Very high36 Ų3649.1 Ų49.114%0.14125%0.254CS..Hα-helixtrans-53.5-52.2174.6-174-100.6000111.7P65 V197 Y201 P247 V248 L249 F253 W254 F255 F520 Q524P65-Y251 HydrophobicContact CB-CE2 3.95Å; P65-Y251 HydrophobicContact CG-CE2 3.83Å; V197-Y251 HydrophobicContact CG1-CD2 4.04Å; V197-Y251 HydrophobicContact CG1-CE2 3.94Å; Y201-Y251 PolarHBondContact OH-OH 2.95Å; P247-Y251 WeakPolarHBondContact O-CB 3.26Å; P247-Y251 PolarHBondContact O-N 2.96Å; V248-Y251 WeakPolarHBondContact O-CB 3.36Å; V248-Y251 PolarHBondContact O-N 2.88Å; L249-Y251 VanDerWaalsContact C-N 3.33Å; Y251-F253 VanDerWaalsContact C-N 3.31Å; Y251-F253 PolarHBondContact O-N 3.42Å; Y251-W254 PolarHBondContact O-N 3.5Å; Y251-F255 HydrophobicContact CD1-CD2 4.46Å; Y251-F255 HydrophobicContact CD1-CE2 4.46Å; Y251-F255 HydrophobicContact CD2-CE2 4.44Å; Y251-F255 HydrophobicContact CE1-CD2 4.1Å; Y251-F255 AromaticContact CE1-CE2 3.77Å; Y251-F255 HydrophobicContact CE1-CE2 3.77Å; Y251-F255 HydrophobicContact CE2-CD2 4.49Å; Y251-F255 AromaticContact CE2-CE2 3.75Å; Y251-F255 HydrophobicContact CE2-CE2 3.75Å; Y251-F255 AromaticContact CZ-CE2 3.37Å; Y251-F255 WeakPolarHBondContact O-CD2 3.49Å; Y251-F255 PolarHBondContact O-N 3.24Å; Y251-F255 WeakPolarHBondContact OH-CE2 3.45Å; Y251-F520 HydrophobicContact CD1-CZ 4.36Å; Y251-F520 HydrophobicContact CE1-CE2 4.35Å; Y251-F520 HydrophobicContact CE1-CZ 4.12Å; Y251-Q524 PolarHBondContact OH-NE2 3.3Å; Y251-Q524 PolarHBondContact OH-OE1 3.06Å
252V96.3Very high95.2Very high26 Ų2645.5 Ų45.516%0.15824%0.235CC..Hα-helixtrans-62.6-38.8175.61780000111.4V248 L249 L250 W254 F255 Y256 F516 W517 F520V248-V252 WeakPolarHBondContact O-CG2 3.4Å; V248-V252 PolarHBondContact O-N 3.1Å; L249-V252 PolarHBondContact O-N 2.97Å; L250-V252 VanDerWaalsContact C-N 3.35Å; L250-V252 PolarHBondContact O-N 2.92Å; V252-W254 PolarHBondContact O-N 3.35Å; V252-F255 PolarHBondContact O-N 3.44Å; V252-Y256 PolarHBondContact O-N 2.89Å; V252-F516 HydrophobicContact CG1-CE1 3.63Å; V252-F516 HydrophobicContact CG1-CZ 3.87Å; V252-W517 HydrophobicContact CG1-CH2 4.15Å; V252-W517 HydrophobicContact CG1-CZ3 4.38Å; V252-F520 HydrophobicContact CG2-CZ 4.14Å
253F95.9Very high94.8Very high110 Ų11049.3 Ų49.348%0.48225%0.252SS..Hα-helixtrans-60.8-41.4178.5173.4-102.5000113.1L249 L250 Y251 F255 Y256 V257L249-F253 WeakPolarHBondContact O-CB 3.36Å; L249-F253 PolarHBondContact O-N 3.14Å; L250-F253 WeakPolarHBondContact O-CA 3.32Å; L250-F253 WeakPolarHBondContact O-CB 3.28Å; L250-F253 PolarHBondContact O-N 3.31Å; Y251-F253 VanDerWaalsContact C-N 3.31Å; Y251-F253 PolarHBondContact O-N 3.42Å; F253-F255 VanDerWaalsContact C-N 3.33Å; F253-F255 PolarHBondContact O-N 3.49Å; F253-Y256 WeakPolarHBondContact O-CB 3.18Å; F253-Y256 PolarHBondContact O-N 2.88Å; F253-V257 HydrophobicContact CD1-CG2 4.39Å; F253-V257 HydrophobicContact CD2-CG2 4.43Å; F253-V257 HydrophobicContact CE1-CG2 3.9Å; F253-V257 HydrophobicContact CE2-CG2 3.94Å; F253-V257 HydrophobicContact CZ-CG2 3.66Å; F253-V257 WeakPolarHBondContact O-CG2 3.16Å; F253-V257 PolarHBondContact O-N 3.31Å
254W95.3Very high94.4Very high34 Ų3455.1 Ų55.113%0.12927%0.274CS..Hα-helixtrans-66.1-36.1177.5-60.5-59.9000112.7L67 A194 L250 Y251 V252 Y256 V257 H258L67-W254 HydrophobicContact CB-CG 4.3Å; L67-W254 HydrophobicContact CD1-CG 4.25Å; L67-W254 HydrophobicContact CD2-CD2 4.22Å; L67-W254 HydrophobicContact CD2-CZ2 4.26Å; A194-W254 VanDerWaalsContact C-CZ3 3.48Å; A194-W254 HydrophobicContact CB-CH2 3.34Å; A194-W254 HydrophobicContact CB-CZ3 3.78Å; A194-W254 WeakPolarHBondContact O-CH2 3.47Å; A194-W254 WeakPolarHBondContact O-CZ3 3.1Å; L250-W254 HydrophobicContact CB-CE3 4.39Å; L250-W254 HydrophobicContact CB-CH2 3.08Å; L250-W254 HydrophobicContact CB-CZ2 3.45Å; L250-W254 VanDerWaalsContact CB-CZ2 3.45Å; L250-W254 HydrophobicContact CB-CZ3 3.62Å; L250-W254 HydrophobicContact CD1-CH2 4.12Å; L250-W254 HydrophobicContact CD1-CZ2 4.24Å; L250-W254 HydrophobicContact CD2-CZ2 4.44Å; L250-W254 HydrophobicContact CG-CH2 4.17Å; L250-W254 HydrophobicContact CG-CZ2 4.27Å; L250-W254 VanDerWaalsContact O-CZ3 3.28Å; L250-W254 WeakPolarHBondContact O-CZ3 3.27Å; L250-W254 PolarHBondContact O-N 2.92Å; Y251-W254 PolarHBondContact O-N 3.5Å; V252-W254 PolarHBondContact O-N 3.35Å; W254-Y256 VanDerWaalsContact C-N 3.35Å; W254-V257 PolarHBondContact O-N 3.49Å; W254-H258 VanDerWaalsContact O-CB 3.31Å; W254-H258 WeakPolarHBondContact O-CB 3.48Å; W254-H258 PolarHBondContact O-N 3.33Å
255F95.1Very high93.9Very high2 Ų252.4 Ų52.41%0.00926%0.262CS..Hα-helixtrans-68-35.9171.9-83.1-86.2000112.6P65 P66 Y251 V252 F253 H258 L259 F520 L523 M527P65-F255 HydrophobicContact CB-CE2 3.87Å; P65-F255 HydrophobicContact CB-CZ 3.93Å; P66-F255 VanDerWaalsContact CD-CE2 3.46Å; P66-F255 HydrophobicContact CG-CD1 4.12Å; P66-F255 HydrophobicContact CG-CD2 4.23Å; P66-F255 HydrophobicContact CG-CE1 4.12Å; P66-F255 HydrophobicContact CG-CE2 4.19Å; P66-F255 HydrophobicContact CG-CG 4.2Å; P66-F255 HydrophobicContact CG-CZ 4.16Å; Y251-F255 HydrophobicContact CD1-CD2 4.46Å; Y251-F255 HydrophobicContact CD1-CE2 4.46Å; Y251-F255 HydrophobicContact CD2-CE2 4.44Å; Y251-F255 HydrophobicContact CE1-CD2 4.1Å; Y251-F255 AromaticContact CE1-CE2 3.77Å; Y251-F255 HydrophobicContact CE1-CE2 3.77Å; Y251-F255 HydrophobicContact CE2-CD2 4.49Å; Y251-F255 AromaticContact CE2-CE2 3.75Å; Y251-F255 HydrophobicContact CE2-CE2 3.75Å; Y251-F255 AromaticContact CZ-CE2 3.37Å; Y251-F255 WeakPolarHBondContact O-CD2 3.49Å; Y251-F255 PolarHBondContact O-N 3.24Å; Y251-F255 WeakPolarHBondContact OH-CE2 3.45Å; V252-F255 PolarHBondContact O-N 3.44Å; F253-F255 VanDerWaalsContact C-N 3.33Å; F253-F255 PolarHBondContact O-N 3.49Å; F255-H258 PolarHBondContact O-N 3.35Å; F255-L259 WeakPolarHBondContact O-CB 3.49Å; F255-L259 WeakPolarHBondContact O-CG 3.45Å; F255-L259 PolarHBondContact O-N 3.19Å; F255-F520 HydrophobicContact CB-CD2 3.63Å; F255-F520 HydrophobicContact CB-CE2 3.76Å; F255-F520 HydrophobicContact CD1-CD2 4.28Å; F255-F520 HydrophobicContact CD1-CE2 4.33Å; F255-F520 HydrophobicContact CD2-CD2 4.43Å; F255-F520 AromaticContact CD2-CE2 3.78Å; F255-F520 HydrophobicContact CD2-CE2 3.78Å; F255-F520 HydrophobicContact CE2-CE2 4.5Å; F255-F520 AromaticContact CG-CD2 3.86Å; F255-F520 HydrophobicContact CG-CD2 3.86Å; F255-F520 AromaticContact CG-CE2 3.68Å; F255-F520 HydrophobicContact CG-CE2 3.68Å; F255-L523 HydrophobicContact CD1-CD2 3.81Å; F255-L523 HydrophobicContact CE1-CD2 3.89Å; F255-L523 HydrophobicContact CE1-CG 4.38Å; F255-M527 HydrophobicContact CE1-SD 3.77Å; F255-M527 HydrophobicContact CZ-CE 4.36Å; F255-M527 HydrophobicContact CZ-SD 3.98Å
256Y95.3Very high93.4Very high128 Ų12850.2 Ų50.250%0.50225%0.252SS..Hα-helixtrans-59.7-48.6171.7178.2-95.8000111.2V252 F253 W254 H258 S260 F516V252-Y256 PolarHBondContact O-N 2.89Å; F253-Y256 WeakPolarHBondContact O-CB 3.18Å; F253-Y256 PolarHBondContact O-N 2.88Å; W254-Y256 VanDerWaalsContact C-N 3.35Å; Y256-H258 PolarHBondContact O-N 3.42Å; Y256-S260 WeakPolarHBondContact O-CB 3.45Å; Y256-S260 PolarHBondContact O-N 2.9Å; Y256-S260 PolarHBondContact O-OG 3.01Å; Y256-F516 VanDerWaalsContact CA-CE2 3.43Å; Y256-F516 AromaticContact CD2-CD2 3.83Å; Y256-F516 HydrophobicContact CD2-CD2 3.83Å; Y256-F516 AromaticContact CD2-CE2 3.97Å; Y256-F516 HydrophobicContact CD2-CE2 3.97Å; Y256-F516 HydrophobicContact CD2-CG 4.15Å; Y256-F516 HydrophobicContact CD2-CZ 4.4Å; Y256-F516 HydrophobicContact CG-CE2 4.38Å
257V94.8Very high92.6Very high45 Ų4552.6 Ų52.627%0.27327%0.268SS..Hα-helixtrans-59.8-48.6175.3173.70000110.7F253 W254 L259 S260 I261F253-V257 HydrophobicContact CD1-CG2 4.39Å; F253-V257 HydrophobicContact CD2-CG2 4.43Å; F253-V257 HydrophobicContact CE1-CG2 3.9Å; F253-V257 HydrophobicContact CE2-CG2 3.94Å; F253-V257 HydrophobicContact CZ-CG2 3.66Å; F253-V257 WeakPolarHBondContact O-CG2 3.16Å; F253-V257 PolarHBondContact O-N 3.31Å; W254-V257 PolarHBondContact O-N 3.49Å; V257-L259 PolarHBondContact O-N 2.81Å; V257-S260 WeakPolarHBondContact CA-OG 3.35Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 2.97Å; V257-I261 HydrophobicContact CG1-CD1 3.66Å; V257-I261 HydrophobicContact CG1-CG1 4.41Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.11Å
258H94.4Very high91.9Very high12 Ų1254.3 Ų54.36%0.05628%0.275CS..Hα-helixtrans-54.8-53.8178.5176.879.5000112.7Y53 F59 P66 W254 F255 Y256 S260 I261 L262Y53-H258 AromaticContact CE1-ND1 3.74Å; Y53-H258 AromaticContact CZ-CE1 3.98Å; Y53-H258 AromaticContact CZ-ND1 3.43Å; Y53-H258 PolarHBondContact OH-CE1 2.95Å; Y53-H258 PolarHBondContact OH-ND1 3.23Å; F59-H258 AromaticContact CZ-CE1 3.97Å; P66-H258 HydrophobicContact CB-CB 3.72Å; P66-H258 WeakPolarHBondContact CB-ND1 2.98Å; P66-H258 HydrophobicContact CG-CB 3.78Å; W254-H258 VanDerWaalsContact O-CB 3.31Å; W254-H258 WeakPolarHBondContact O-CB 3.48Å; W254-H258 PolarHBondContact O-N 3.33Å; F255-H258 PolarHBondContact O-N 3.35Å; Y256-H258 PolarHBondContact O-N 3.42Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 3.26Å; H258-I261 PolarHBondContact O-N 3.4Å; H258-L262 WeakPolarHBondContact CE1-CD1 3.34Å; H258-L262 WeakPolarHBondContact NE2-CD1 3.23Å; H258-L262 WeakPolarHBondContact O-CG 3.34Å; H258-L262 PolarHBondContact O-N 3.28Å
259L92.8Very high91.2Very high19 Ų1951.3 Ų51.310%0.09926%0.256CS..Hα-helixtrans-69.2-25179.3-70175.9000113.1F58 F255 V257 F276 F516 K519 L523F58-L259 HydrophobicContact CD2-CD2 4.46Å; F58-L259 HydrophobicContact CE2-CD2 4.05Å; F255-L259 WeakPolarHBondContact O-CB 3.49Å; F255-L259 WeakPolarHBondContact O-CG 3.45Å; F255-L259 PolarHBondContact O-N 3.19Å; V257-L259 PolarHBondContact O-N 2.81Å; L259-F276 HydrophobicContact CD2-CZ 3.93Å; L259-F516 HydrophobicContact CD1-CD2 4.22Å; L259-F516 HydrophobicContact CD1-CE2 4Å; L259-K519 HydrophobicContact CD1-CB 3.88Å; L259-L523 HydrophobicContact CD2-CD2 4.05Å; L259-L523 HydrophobicContact CG-CD2 4.42Å
260S92.1Very high90.1Very high48 Ų4850.6 Ų50.634%0.33625%0.25SS..Hα-helixtrans-74.2-31.6175.175.80000112.9Y256 V257 H258 Q263Y256-S260 WeakPolarHBondContact O-CB 3.45Å; Y256-S260 PolarHBondContact O-N 2.9Å; Y256-S260 PolarHBondContact O-OG 3.01Å; V257-S260 WeakPolarHBondContact CA-OG 3.35Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 2.97Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 3.26Å; S260-Q263 WeakPolarHBondContact O-CG 3.42Å; S260-Q263 PolarHBondContact O-NE2 3.04Å
261I92.8Very high89.2Confident62 Ų6251.1 Ų51.132%0.31825%0.252SS..Hα-helixtrans-80.4-45.1177.6-65.5169000110.3Y53 R56 V257 H258 Q263Y53-I261 HydrophobicContact CD1-CG2 4.23Å; R56-I261 WeakPolarHBondContact CB-O 3.18Å; V257-I261 HydrophobicContact CG1-CD1 3.66Å; V257-I261 HydrophobicContact CG1-CG1 4.41Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.11Å; H258-I261 PolarHBondContact O-N 3.4Å; I261-Q263 PolarHBondContact O-N 3.21Å
262L92.1Very high88.5Confident1 Ų149.4 Ų49.41%0.00525%0.246CC..  trans-84.579-175.4-60-171000111.9Y53 F58 F59 H258Y53-L262 HydrophobicContact CD1-CD2 3.92Å; Y53-L262 HydrophobicContact CE1-CD2 4.32Å; Y53-L262 HydrophobicContact CE1-CG 4.43Å; Y53-L262 HydrophobicContact CG-CD2 4.38Å; F58-L262 HydrophobicContact CB-CB 4.5Å; F59-L262 HydrophobicContact CD1-CD1 3.67Å; F59-L262 HydrophobicContact CE1-CD1 3.62Å; F59-L262 HydrophobicContact CE1-CD2 4.47Å; H258-L262 WeakPolarHBondContact CE1-CD1 3.34Å; H258-L262 WeakPolarHBondContact NE2-CD1 3.23Å; H258-L262 WeakPolarHBondContact O-CG 3.34Å; H258-L262 PolarHBondContact O-N 3.28Å
263Q87.4Confident87.5Confident81 Ų8150.1 Ų50.138%0.37925%0.252SS..  trans-95.2-15.6-175.6-62.8-176.4-5.600114R56 S260 I261 L280 Q281R56-Q263 PolarHBondContact O-N 3.05Å; S260-Q263 WeakPolarHBondContact O-CG 3.42Å; S260-Q263 PolarHBondContact O-NE2 3.04Å; I261-Q263 PolarHBondContact O-N 3.21Å; Q263-L280 CarbonylContact O-C 3.54Å; Q263-L280 WeakPolarHBondContact O-CA 3.44Å; Q263-Q281 PolarHBondContact O-N 2.88Å
264R87.8Confident86.3Confident126 Ų12645.2 Ų45.248%0.47523%0.232SC..BIsolated β-bridgetrans-97.7153.8-175-60.1178.4176.9169.5-7.7112.5K55 R56 T57 F58 Q281K55-R264 WeakPolarHBondContact O-CD 3.43Å; K55-R264 PolarHBondContact O-NH1 2.85Å; R56-R264 VanDerWaalsContact O-CB 3.31Å; R56-R264 WeakPolarHBondContact O-CB 3.39Å; R56-R264 PolarHBondContact O-N 3.4Å; T57-R264 HydrophobicContact CG2-CB 4.1Å; F58-R264 WeakPolarHBondContact CB-O 3.46Å; F58-R264 PolarHBondContact N-O 2.9Å; R264-Q281 CarbonylContact C-O 3.49Å; R264-Q281 WeakPolarHBondContact CA-O 3.27Å; R264-Q281 HydrophobicContact CG-CB 4.4Å
265S85.5Confident85.1Confident31 Ų3145.1 Ų45.122%0.21724%0.238CC..  trans-57.9146.1171.2600000111.5D269 Q281 G283S265-D269 WeakPolarHBondContact CB-OD2 3.35Å; S265-Q281 PolarHBondContact N-O 3.32Å; S265-G283 PolarHBondContact OG-N 3.33Å; S265-G283 VanDerWaalsContact OG-N 3.15Å
266G85.2Confident84.4Confident14 Ų1445.1 Ų45.114%0.14424%0.238CC..  trans-152.5-178.2-178.100000112.3F58 H268 D269F58-G266 VanDerWaalsContact O-CA 3.29Å; F58-G266 WeakPolarHBondContact O-CA 3.37Å; G266-H268 PolarHBondContact O-N 3.35Å; G266-H268 VanDerWaalsContact O-N 3.09Å; G266-D269 WeakPolarHBondContact O-CB 3.49Å; G266-D269 PolarHBondContact O-N 2.92Å; G266-D269 VanDerWaalsContact O-N 3.14Å
267P81.1Confident83.5Confident80 Ų8039.5 Ų39.552%0.51922%0.216SC..THydrogen-bonded Turntrans-62.5-25.9-16524.8-34.7000114.3L52L52-P267 HydrophobicContact CD1-CG 4.45Å
268H81.9Confident82.4Confident44 Ų4438.1 Ų38.120%0.20421%0.209CC..THydrogen-bonded Turntrans-102.98.3-176.2-57121.3000113.4I60 G266 Q270 L271I60-H268 HydrophobicContact CB-CB 4.06Å; I60-H268 HydrophobicContact CD1-CB 3.99Å; I60-H268 WeakPolarHBondContact CD1-O 3.31Å; I60-H268 HydrophobicContact CG1-CB 3.93Å; I60-H268 PolarHBondContact O-ND1 3.34Å; G266-H268 PolarHBondContact O-N 3.35Å; G266-H268 VanDerWaalsContact O-N 3.09Å; H268-Q270 VanDerWaalsContact C-N 3.26Å; H268-Q270 PolarHBondContact O-N 3.34Å; H268-L271 HydrophobicContact CB-CD1 4.45Å; H268-L271 PolarHBondContact O-N 3.31Å
269D80.6Confident81.6Confident19 Ų1938.8 Ų38.810%0.10222%0.215CC..G310 helixtrans-64.6-32.1179.166.5-1.4000112.4F58 S265 G266 L271 M272 Q277 L280F58-D269 HydrophobicContact CD1-CB 4.29Å; S265-D269 WeakPolarHBondContact CB-OD2 3.35Å; G266-D269 WeakPolarHBondContact O-CB 3.49Å; G266-D269 PolarHBondContact O-N 2.92Å; G266-D269 VanDerWaalsContact O-N 3.14Å; D269-L271 PolarHBondContact O-N 2.81Å; D269-L271 VanDerWaalsContact O-N 3.14Å; D269-M272 VanDerWaalsContact O-CB 3.31Å; D269-M272 WeakPolarHBondContact O-CB 3.22Å; D269-M272 PolarHBondContact O-N 3.18Å; D269-Q277 HydrophobicContact CB-CG 4.31Å; D269-Q277 VanDerWaalsContact O-CD 3.27Å; D269-Q277 WeakPolarHBondContact O-CG 3.49Å; D269-Q277 PolarHBondContact O-NE2 3.43Å; D269-L280 HydrophobicContact CB-CD1 4.08Å
270Q74.4Confident81Confident100 Ų10038.2 Ų38.247%0.46721%0.212SC..G310 helixtrans-55.2-34.3179.2-63-1780.700112.5H268 M272 Q277 R304 P312H268-Q270 VanDerWaalsContact C-N 3.26Å; H268-Q270 PolarHBondContact O-N 3.34Å; Q270-M272 PolarHBondContact O-N 3.01Å; Q270-Q277 VanDerWaalsContact CA-NE2 3.32Å; Q270-Q277 PolarHBondContact O-NE2 3.45Å; Q270-Q277 VanDerWaalsContact O-NE2 3.15Å; Q270-R304 PolarHBondContact O-NH2 3.36Å; Q270-P312 WeakPolarHBondContact O-CG 3.42Å
271L77.8Confident80.2Confident55 Ų5540.6 Ų40.629%0.28822%0.218SC..G310 helixtrans-69.9-18.2-179.7-61.2175.4000113.5I60 H268 D269 K526 V530I60-L271 HydrophobicContact CD1-CB 3.88Å; I60-L271 HydrophobicContact CD1-CD1 3.99Å; H268-L271 HydrophobicContact CB-CD1 4.45Å; H268-L271 PolarHBondContact O-N 3.31Å; D269-L271 PolarHBondContact O-N 2.81Å; D269-L271 VanDerWaalsContact O-N 3.14Å; L271-K526 WeakPolarHBondContact O-CE 3.38Å; L271-K526 PolarHBondContact O-NZ 3.09Å; L271-V530 HydrophobicContact CD1-CG1 4.41Å
272M80Confident79.1Confident1 Ų139 Ų391%0.00522%0.217CC..SBendtrans-86.8165.8177.3-62.2-70.9140.800112F58 I60 D269 Q270 F276 Q277 R304 E522 L523 K526F58-M272 HydrophobicContact CE1-CG 3.8Å; F58-M272 HydrophobicContact CZ-CE 4.22Å; F58-M272 HydrophobicContact CZ-CG 4.08Å; F58-M272 HydrophobicContact CZ-SD 4.4Å; I60-M272 HydrophobicContact CD1-CE 3.07Å; I60-M272 HydrophobicContact CD1-CG 4.45Å; I60-M272 HydrophobicContact CG1-CE 3.63Å; D269-M272 VanDerWaalsContact O-CB 3.31Å; D269-M272 WeakPolarHBondContact O-CB 3.22Å; D269-M272 PolarHBondContact O-N 3.18Å; Q270-M272 PolarHBondContact O-N 3.01Å; M272-F276 HydrophobicContact CB-CB 3.93Å; M272-F276 HydrophobicContact CB-CD1 3.89Å; M272-F276 HydrophobicContact CB-CG 3.96Å; M272-F276 HydrophobicContact CG-CD1 3.85Å; M272-F276 HydrophobicContact CG-CE1 4.14Å; M272-F276 HydrophobicContact CG-CG 4.14Å; M272-F276 HydrophobicContact SD-CD1 4.43Å; M272-F276 HydrophobicContact SD-CD2 4.18Å; M272-F276 HydrophobicContact SD-CE2 4.27Å; M272-F276 HydrophobicContact SD-CG 4.28Å; M272-F276 HydrophobicContact SD-CZ 4.48Å; M272-Q277 HydrophobicContact CB-CG 4.33Å; M272-Q277 PolarHBondContact O-NE2 3.04Å; M272-R304 PolarHBondContact O-NH2 3.38Å; M272-E522 WeakPolarHBondContact CA-OE1 3.5Å; M272-E522 HydrophobicContact SD-CG 4.03Å; M272-L523 HydrophobicContact CE-CD1 4.01Å; M272-K526 HydrophobicContact CE-CB 3.57Å; M272-K526 HydrophobicContact CE-CG 3.57Å; M272-K526 HydrophobicContact SD-CG 4.24Å
273S75.7Confident77.7Confident40 Ų4040.8 Ų40.828%0.2824%0.236SC..  trans-62152.1173.968.10000111A275 F276 Q277 E522S273-A275 PolarHBondContact O-N 2.97Å; S273-F276 PolarHBondContact O-N 3Å; S273-F276 VanDerWaalsContact O-N 3.12Å; S273-F276 WeakPolarHBondContact OG-CB 3.49Å; S273-F276 PolarHBondContact OG-N 3.24Å; S273-F276 VanDerWaalsContact OG-N 3.09Å; S273-Q277 WeakPolarHBondContact O-CG 3.45Å; S273-Q277 PolarHBondContact O-N 3.42Å; S273-E522 WeakPolarHBondContact CA-OE1 3.47Å; S273-E522 WeakPolarHBondContact CB-OE1 3.31Å; S273-E522 PolarHBondContact N-OE1 3.47Å; S273-E522 VanDerWaalsContact OG-CD 3.31Å; S273-E522 PolarHBondContact OG-OE1 3.43Å; S273-E522 VanDerWaalsContact OG-OE1 3.08Å; S273-E522 PolarHBondContact OG-OE2 3.25Å
274S70Confident76.3Confident8 Ų837.4 Ų37.46%0.05622%0.22CC..Hα-helixtrans-57.4-35.8174.849.80000111.5A278 L284S274-A278 VanDerWaalsContact O-CB 3.28Å; S274-A278 WeakPolarHBondContact O-CB 3.38Å; S274-A278 PolarHBondContact O-N 3.36Å; S274-L284 WeakPolarHBondContact O-CD2 3.22Å
275A71.3Confident74.6Confident31 Ų3131.6 Ų31.626%0.25620%0.199SC..Hα-helixtrans-59-56172.700000110.8S273 Q277 A278 S279 I435 I514S273-A275 PolarHBondContact O-N 2.97Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 3.12Å; A275-A278 PolarHBondContact O-N 3.24Å; A275-S279 PolarHBondContact O-N 3.3Å; A275-I435 HydrophobicContact CB-CG2 3.83Å; A275-I514 HydrophobicContact CB-CD1 3.49Å; A275-I514 VanDerWaalsContact CB-CD1 3.49Å; A275-I514 WeakPolarHBondContact O-CD1 3.27Å
276F78.9Confident73Confident2 Ų239.5 Ų39.51%0.00922%0.224CC..Hα-helixtrans-57.5-46.2179.3-169.8-68000111.7F58 L259 M272 S273 A278 S279 L280 K519F58-F276 HydrophobicContact CD1-CE1 4.29Å; F58-F276 HydrophobicContact CD2-CE1 4.09Å; F58-F276 HydrophobicContact CD2-CZ 4.27Å; F58-F276 AromaticContact CE1-CE1 3.93Å; F58-F276 HydrophobicContact CE1-CE1 3.93Å; F58-F276 HydrophobicContact CE1-CZ 4.44Å; F58-F276 AromaticContact CE2-CE1 3.72Å; F58-F276 HydrophobicContact CE2-CE1 3.72Å; F58-F276 AromaticContact CE2-CZ 3.59Å; F58-F276 HydrophobicContact CE2-CZ 3.59Å; F58-F276 HydrophobicContact CG-CE1 4.36Å; F58-F276 AromaticContact CZ-CE1 3.62Å; F58-F276 HydrophobicContact CZ-CE1 3.62Å; F58-F276 AromaticContact CZ-CZ 3.68Å; F58-F276 HydrophobicContact CZ-CZ 3.68Å; L259-F276 HydrophobicContact CD2-CZ 3.93Å; M272-F276 HydrophobicContact CB-CB 3.93Å; M272-F276 HydrophobicContact CB-CD1 3.89Å; M272-F276 HydrophobicContact CB-CG 3.96Å; M272-F276 HydrophobicContact CG-CD1 3.85Å; M272-F276 HydrophobicContact CG-CE1 4.14Å; M272-F276 HydrophobicContact CG-CG 4.14Å; M272-F276 HydrophobicContact SD-CD1 4.43Å; M272-F276 HydrophobicContact SD-CD2 4.18Å; M272-F276 HydrophobicContact SD-CE2 4.27Å; M272-F276 HydrophobicContact SD-CG 4.28Å; M272-F276 HydrophobicContact SD-CZ 4.48Å; S273-F276 PolarHBondContact O-N 3Å; S273-F276 VanDerWaalsContact O-N 3.12Å; S273-F276 WeakPolarHBondContact OG-CB 3.49Å; S273-F276 PolarHBondContact OG-N 3.24Å; S273-F276 VanDerWaalsContact OG-N 3.09Å; F276-A278 VanDerWaalsContact C-N 3.34Å; F276-A278 PolarHBondContact O-N 2.96Å; F276-S279 WeakPolarHBondContact O-CB 3.45Å; F276-S279 PolarHBondContact O-N 3.29Å; F276-S279 PolarHBondContact O-OG 3.38Å; F276-L280 HydrophobicContact CD1-CD1 4.3Å; F276-L280 HydrophobicContact CD1-CG 4.49Å; F276-L280 HydrophobicContact CE1-CD1 4.14Å; F276-L280 HydrophobicContact CE1-CD2 4.41Å; F276-L280 HydrophobicContact CE1-CG 4.35Å; F276-K519 HydrophobicContact CD2-CB 3.98Å; F276-K519 HydrophobicContact CD2-CG 3.83Å; F276-K519 HydrophobicContact CE2-CB 3.55Å; F276-K519 HydrophobicContact CE2-CD 4.3Å; F276-K519 HydrophobicContact CE2-CG 3.77Å; F276-K519 HydrophobicContact CZ-CB 4.45Å
277Q77.9Confident71.5Confident11 Ų1141.3 Ų41.35%0.05123%0.232CC..Hα-helixtrans-59.6-42.1178.1-70.3178.724.200112.2D269 Q270 M272 S273 A275 S279 L280 L284 R304D269-Q277 HydrophobicContact CB-CG 4.31Å; D269-Q277 VanDerWaalsContact O-CD 3.27Å; D269-Q277 WeakPolarHBondContact O-CG 3.49Å; D269-Q277 PolarHBondContact O-NE2 3.43Å; Q270-Q277 VanDerWaalsContact CA-NE2 3.32Å; Q270-Q277 PolarHBondContact O-NE2 3.45Å; Q270-Q277 VanDerWaalsContact O-NE2 3.15Å; M272-Q277 HydrophobicContact CB-CG 4.33Å; M272-Q277 PolarHBondContact O-NE2 3.04Å; S273-Q277 WeakPolarHBondContact O-CG 3.45Å; S273-Q277 PolarHBondContact O-N 3.42Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 3.12Å; Q277-S279 PolarHBondContact O-N 3.07Å; Q277-L280 PolarHBondContact O-N 3.44Å; Q277-L280 VanDerWaalsContact O-N 3.13Å; Q277-L284 HydrophobicContact CB-CB 3.96Å; Q277-L284 HydrophobicContact CB-CD2 3.6Å; Q277-L284 HydrophobicContact CB-CG 4.4Å; Q277-R304 VanDerWaalsContact NE2-NH1 3.18Å
278A71.1Confident70.2Confident16 Ų1638.1 Ų38.113%0.13221%0.211CC..Hα-helixtrans-65.1-20.5177.300000113.1S274 A275 F276 S285 I435S274-A278 VanDerWaalsContact O-CB 3.28Å; S274-A278 WeakPolarHBondContact O-CB 3.38Å; S274-A278 PolarHBondContact O-N 3.36Å; A275-A278 PolarHBondContact O-N 3.24Å; F276-A278 VanDerWaalsContact C-N 3.34Å; F276-A278 PolarHBondContact O-N 2.96Å; A278-S285 VanDerWaalsContact O-CB 3.32Å; A278-S285 WeakPolarHBondContact O-CB 3.24Å; A278-I435 HydrophobicContact CB-CD1 4.38Å
279S77.9Confident68.7Low26 Ų2639.8 Ų39.818%0.18222%0.216CC..THydrogen-bonded Turntrans-82.5-10.6176.582.90000114.4A275 F276 Q277 K519A275-S279 PolarHBondContact O-N 3.3Å; F276-S279 WeakPolarHBondContact O-CB 3.45Å; F276-S279 PolarHBondContact O-N 3.29Å; F276-S279 PolarHBondContact O-OG 3.38Å; Q277-S279 PolarHBondContact O-N 3.07Å; S279-K519 WeakPolarHBondContact OG-CE 3.48Å; S279-K519 PolarHBondContact OG-NZ 3.21Å
280L80.7Confident67.7Low6 Ų639.3 Ų39.33%0.03122%0.215CC..SBendtrans-91.3136.9176.6-63.3173.1000110F58 Q263 D269 F276 Q277 G282 S285F58-L280 HydrophobicContact CB-CD1 3.68Å; F58-L280 HydrophobicContact CB-CD2 3.97Å; F58-L280 HydrophobicContact CB-CG 4.5Å; F58-L280 HydrophobicContact CD1-CD1 3.9Å; F58-L280 HydrophobicContact CG-CD1 3.84Å; F58-L280 HydrophobicContact CG-CD2 4.33Å; Q263-L280 CarbonylContact O-C 3.54Å; Q263-L280 WeakPolarHBondContact O-CA 3.44Å; D269-L280 HydrophobicContact CB-CD1 4.08Å; F276-L280 HydrophobicContact CD1-CD1 4.3Å; F276-L280 HydrophobicContact CD1-CG 4.49Å; F276-L280 HydrophobicContact CE1-CD1 4.14Å; F276-L280 HydrophobicContact CE1-CD2 4.41Å; F276-L280 HydrophobicContact CE1-CG 4.35Å; Q277-L280 PolarHBondContact O-N 3.44Å; Q277-L280 VanDerWaalsContact O-N 3.13Å; L280-G282 PolarHBondContact O-N 2.97Å; L280-S285 WeakPolarHBondContact O-CB 3.41Å; L280-S285 PolarHBondContact O-OG 2.87Å
281Q75Confident67.5Low99 Ų9935.3 Ų35.346%0.46320%0.196SC..BIsolated β-bridgetrans-66.7125175.5-63.9176.5-0.200111.1Q263 R264 S265Q263-Q281 PolarHBondContact O-N 2.88Å; R264-Q281 CarbonylContact C-O 3.49Å; R264-Q281 WeakPolarHBondContact CA-O 3.27Å; R264-Q281 HydrophobicContact CG-CB 4.4Å; S265-Q281 PolarHBondContact N-O 3.32Å
282G68.5Low67.4Low29 Ų2934 Ų3430%0.29919%0.191SC..SBendtrans92-173.7-173.700000112.6L280 L284 S285L280-G282 PolarHBondContact O-N 2.97Å; G282-L284 PolarHBondContact O-N 3.47Å; G282-S285 PolarHBondContact N-OG 3.34Å; G282-S285 PolarHBondContact O-N 2.91Å; G282-S285 VanDerWaalsContact O-N 3.14Å; G282-S285 PolarHBondContact O-OG 3.01Å
283G63.5Low67.3Low38 Ų3837.4 Ų37.439%0.39221%0.209SC..THydrogen-bonded Turntrans52-125.1-179.700000112.8S265 S285 R286S265-G283 PolarHBondContact OG-N 3.33Å; S265-G283 VanDerWaalsContact OG-N 3.15Å; G283-S285 VanDerWaalsContact C-N 3.32Å; G283-S285 PolarHBondContact O-N 3.5Å; G283-R286 WeakPolarHBondContact O-CB 3.35Å; G283-R286 PolarHBondContact O-N 3.03Å; G283-R286 VanDerWaalsContact O-N 3.15Å
284L57.3Low67.8Low9 Ų938.6 Ų38.65%0.04721%0.21CC..Hα-helixtrans-60.9-34.6-178.5-17362.1000114S274 Q277 G282 R286 V287 T288 E485S274-L284 WeakPolarHBondContact O-CD2 3.22Å; Q277-L284 HydrophobicContact CB-CB 3.96Å; Q277-L284 HydrophobicContact CB-CD2 3.6Å; Q277-L284 HydrophobicContact CB-CG 4.4Å; G282-L284 PolarHBondContact O-N 3.47Å; L284-R286 PolarHBondContact O-N 2.91Å; L284-V287 PolarHBondContact O-N 3.3Å; L284-V287 VanDerWaalsContact O-N 3.08Å; L284-T288 HydrophobicContact CD1-CG2 3.5Å; L284-T288 VanDerWaalsContact CD1-CG2 3.5Å; L284-T288 HydrophobicContact CD2-CG2 4.41Å; L284-T288 HydrophobicContact CG-CG2 3.73Å; L284-T288 WeakPolarHBondContact O-CB 3.34Å; L284-T288 PolarHBondContact O-N 2.95Å; L284-T288 PolarHBondContact O-OG1 3.39Å; L284-E485 HydrophobicContact CD1-CG 4.02Å; L284-E485 WeakPolarHBondContact CD1-OE1 3.25Å; L284-E485 HydrophobicContact CD2-CG 4.11Å
285S51.5Low68.7Low5 Ų538.2 Ų38.24%0.03521%0.208CC..Hα-helixtrans-63.8-30.9178.267.40000111.8A278 L280 G282 G283 V287 R289A278-S285 VanDerWaalsContact O-CB 3.32Å; A278-S285 WeakPolarHBondContact O-CB 3.24Å; L280-S285 WeakPolarHBondContact O-CB 3.41Å; L280-S285 PolarHBondContact O-OG 2.87Å; G282-S285 PolarHBondContact N-OG 3.34Å; G282-S285 PolarHBondContact O-N 2.91Å; G282-S285 VanDerWaalsContact O-N 3.14Å; G282-S285 PolarHBondContact O-OG 3.01Å; G283-S285 VanDerWaalsContact C-N 3.32Å; G283-S285 PolarHBondContact O-N 3.5Å; S285-V287 VanDerWaalsContact C-N 3.3Å; S285-V287 PolarHBondContact O-N 3.4Å; S285-R289 WeakPolarHBondContact O-CB 3.34Å; S285-R289 WeakPolarHBondContact O-CD 3.4Å; S285-R289 WeakPolarHBondContact O-CG 3.48Å; S285-R289 PolarHBondContact O-N 2.82Å
286R52.3Low69.6Low197 Ų19736.8 Ų36.874%0.74320%0.195SC*.Hα-helixtrans-66.7-32.2174.6-172.2178.5176.6-178.2-1112.4G283 L284G283-R286 WeakPolarHBondContact O-CB 3.35Å; G283-R286 PolarHBondContact O-N 3.03Å; G283-R286 VanDerWaalsContact O-N 3.15Å; L284-R286 PolarHBondContact O-N 2.91Å
287V55.1Low70.2Confident52 Ų5237.3 Ų37.332%0.31520%0.198SC..Hα-helixtrans-90.4-34.3-175.7-170.60000112.4L284 S285 E486 T506L284-V287 PolarHBondContact O-N 3.3Å; L284-V287 VanDerWaalsContact O-N 3.08Å; S285-V287 VanDerWaalsContact C-N 3.3Å; S285-V287 PolarHBondContact O-N 3.4Å; V287-E486 HydrophobicContact CG1-CG 4.3Å; V287-E486 WeakPolarHBondContact CG1-OE1 3.44Å; V287-T506 PolarHBondContact O-OG1 3.37Å
288T52.5Low70.6Confident12 Ų1237 Ų377%0.07420%0.197CC..Hα-helixtrans-93.8-6.5-178.755.60000113.7L284 G290 Q291 I435 E486L284-T288 HydrophobicContact CD1-CG2 3.5Å; L284-T288 VanDerWaalsContact CD1-CG2 3.5Å; L284-T288 HydrophobicContact CD2-CG2 4.41Å; L284-T288 HydrophobicContact CG-CG2 3.73Å; L284-T288 WeakPolarHBondContact O-CB 3.34Å; L284-T288 PolarHBondContact O-N 2.95Å; L284-T288 PolarHBondContact O-OG1 3.39Å; T288-G290 PolarHBondContact O-N 2.77Å; T288-Q291 WeakPolarHBondContact O-CG 3.43Å; T288-Q291 PolarHBondContact O-N 2.6Å; T288-I435 HydrophobicContact CG2-CD1 4.35Å; T288-E486 HydrophobicContact CG2-CG 4.24Å
289R51.9Low71.5Confident80 Ų8036.2 Ų36.230%0.30219%0.191SC..THydrogen-bonded Turntrans-55.5128.3171.6-96.4164.9-174.6-161.9-8108.9S285 Q291 I508 D511S285-R289 WeakPolarHBondContact O-CB 3.34Å; S285-R289 WeakPolarHBondContact O-CD 3.4Å; S285-R289 WeakPolarHBondContact O-CG 3.48Å; S285-R289 PolarHBondContact O-N 2.82Å; R289-Q291 VanDerWaalsContact C-N 3.25Å; R289-Q291 PolarHBondContact O-N 2.88Å; R289-Q291 VanDerWaalsContact O-N 3.15Å; R289-I508 CarbonylContact C-O 3.52Å; R289-I508 WeakPolarHBondContact CB-O 3.25Å; R289-D511 IonicContact CZ-OD1 3.48Å; R289-D511 IonicContact NE-OD1 2.86Å; R289-D511 IonicContact NH2-OD1 3.86Å; R289-D511 PolarHBondContact NH2-OD1 3.2Å
290G58.6Low72.1Confident9 Ų935 Ų359%0.09318%0.183CC..THydrogen-bonded Turntrans6315.6173.300000118T288 I508T288-G290 PolarHBondContact O-N 2.77Å; G290-I508 WeakPolarHBondContact CA-O 3.39Å; G290-I508 PolarHBondContact N-O 3.01Å; G290-I508 WeakPolarHBondContact O-CB 3.47Å
291Q70.3Confident72.6Confident15 Ų1534.8 Ų34.87%0.0718%0.181CC..  trans-60.1150.6166.168.2-173-2.200111.6T288 R289 L293 E485 E486 H487T288-Q291 WeakPolarHBondContact O-CG 3.43Å; T288-Q291 PolarHBondContact O-N 2.6Å; R289-Q291 VanDerWaalsContact C-N 3.25Å; R289-Q291 PolarHBondContact O-N 2.88Å; R289-Q291 VanDerWaalsContact O-N 3.15Å; Q291-L293 PolarHBondContact O-N 3.27Å; Q291-E485 PolarHBondContact NE2-O 3Å; Q291-E485 PolarHBondContact OE1-O 3.14Å; Q291-E486 VanDerWaalsContact OE1-CA 3.25Å; Q291-H487 HydrophobicContact CB-CB 4.38Å; Q291-H487 VanDerWaalsContact CB-O 3.28Å; Q291-H487 WeakPolarHBondContact CB-O 3.32Å
292P75.1Confident73.4Confident28 Ų2830 Ų3018%0.18216%0.159CC..  trans-62139.91772.75.4000110.5T434 H487 Y489P292-T434 VanDerWaalsContact O-CG2 3.27Å; P292-T434 WeakPolarHBondContact O-CG2 3.48Å; P292-T434 PolarHBondContact O-OG1 3.44Å; P292-H487 WeakPolarHBondContact CD-O 3.38Å; P292-H487 VanDerWaalsContact CG-CE1 3.46Å; P292-H487 WeakPolarHBondContact CG-CE1 3.39Å; P292-H487 PolarHBondContact O-ND1 2.66Å; P292-Y489 HydrophobicContact CB-CD1 4.47Å; P292-Y489 HydrophobicContact CB-CD2 3.96Å; P292-Y489 HydrophobicContact CB-CE1 3.93Å; P292-Y489 HydrophobicContact CB-CE2 3.34Å; P292-Y489 HydrophobicContact CB-CG 4.48Å; P292-Y489 WeakPolarHBondContact CB-OH 3.27Å; P292-Y489 HydrophobicContact CG-CD1 4.11Å; P292-Y489 HydrophobicContact CG-CD2 3.69Å; P292-Y489 HydrophobicContact CG-CE1 4.07Å; P292-Y489 HydrophobicContact CG-CE2 3.64Å; P292-Y489 HydrophobicContact CG-CG 3.93Å
293L78.3Confident74.5Confident72 Ų7228.7 Ų28.738%0.37715%0.145SC..SBendtrans-74.5-41.3-176.8-168.5109000111.8Q291 K433 T434Q291-L293 PolarHBondContact O-N 3.27Å; L293-K433 HydrophobicContact CD2-CD 3.95Å; L293-K433 HydrophobicContact CD2-CG 4.08Å; L293-K433 CarbonylContact O-C 3.59Å; L293-K433 VanDerWaalsContact O-CA 3.25Å; L293-K433 WeakPolarHBondContact O-CA 3.47Å; L293-T434 PolarHBondContact O-N 3.29Å
294Q86.3Confident75.6Confident66 Ų6627.6 Ų27.631%0.30813%0.129SC..BIsolated β-bridgetrans-99.2124.1-173-62170.2-37.200110L368 E431 H487 Y489Q294-L368 HydrophobicContact CB-CD1 4.24Å; Q294-L368 HydrophobicContact CB-CD2 3.55Å; Q294-L368 HydrophobicContact CB-CG 4.47Å; Q294-L368 VanDerWaalsContact CD-CD1 3.47Å; Q294-L368 HydrophobicContact CG-CD1 4.24Å; Q294-L368 HydrophobicContact CG-CD2 4.39Å; Q294-E431 PolarHBondContact NE2-OE2 3.28Å; Q294-H487 PolarHBondContact O-CE1 3.02Å; Q294-H487 VanDerWaalsContact O-CE1 3.22Å; Q294-Y489 PolarHBondContact O-OH 2.71Å
295V88.8Confident77Confident0 Ų027.6 Ų27.60%013%0.13CC..  trans-75.3130.1175.8-177.30000108.9V301 I352 V369 W432 T434 V484V295-V301 HydrophobicContact CG1-CG1 4.2Å; V295-V301 HydrophobicContact CG2-CG1 4.48Å; V295-I352 HydrophobicContact CG1-CG1 4.01Å; V295-V369 HydrophobicContact CG1-CG2 4.5Å; V295-V369 PolarHBondContact O-N 3.08Å; V295-W432 HydrophobicContact CB-CB 4.18Å; V295-W432 HydrophobicContact CB-CD2 4.08Å; V295-W432 HydrophobicContact CB-CE3 4.2Å; V295-W432 HydrophobicContact CB-CG 4.06Å; V295-W432 HydrophobicContact CG1-CD2 4.11Å; V295-W432 HydrophobicContact CG1-CE3 3.8Å; V295-W432 HydrophobicContact CG1-CZ3 4.21Å; V295-W432 HydrophobicContact CG2-CD2 4.24Å; V295-W432 HydrophobicContact CG2-CG 4.12Å; V295-W432 PolarHBondContact N-O 3.38Å; V295-T434 HydrophobicContact CG2-CG2 4.05Å; V295-V484 HydrophobicContact CG2-CG2 4.36Å
296A90.8Very high78.1Confident0 Ų029.2 Ų29.20%014%0.141CC..BIsolated β-bridgetrans-120.1166.1-179.600000110.7S299 V362 P366 R367 L368 Y489A296-S299 PolarHBondContact N-OG 2.99Å; A296-S299 WeakPolarHBondContact O-CB 3.28Å; A296-S299 PolarHBondContact O-N 3.17Å; A296-S299 VanDerWaalsContact O-N 3.11Å; A296-S299 PolarHBondContact O-OG 2.88Å; A296-V362 HydrophobicContact CB-CG1 4.28Å; A296-P366 HydrophobicContact CB-CB 3.93Å; A296-R367 CarbonylContact C-O 3.51Å; A296-R367 WeakPolarHBondContact CA-O 3.49Å; A296-R367 VanDerWaalsContact CB-O 3.26Å; A296-R367 WeakPolarHBondContact CB-O 3.4Å; A296-L368 HydrophobicContact CB-CD2 4.43Å; A296-Y489 HydrophobicContact CB-CE1 3.92Å
297F90.4Very high78.8Confident14 Ų1420.5 Ų20.56%0.06111%0.111CC..THydrogen-bonded Turntrans-64.1136.3165.8-67.2-78.2000109.5S299 I352 D354 R367 V369 D373 I375F297-S299 VanDerWaalsContact C-N 3.33Å; F297-I352 HydrophobicContact CD1-CG2 4.29Å; F297-D354 HydrophobicContact CB-CB 4.49Å; F297-D354 HydrophobicContact CD1-CB 3.66Å; F297-D354 HydrophobicContact CE1-CB 3.98Å; F297-D354 HydrophobicContact CG-CB 4.08Å; F297-R367 HydrophobicContact CD2-CB 4.36Å; F297-R367 HydrophobicContact CD2-CG 4Å; F297-R367 HydrophobicContact CE2-CG 4.45Å; F297-R367 PolarHBondContact N-O 3.13Å; F297-V369 HydrophobicContact CD1-CG2 4.27Å; F297-V369 HydrophobicContact CD2-CG2 4.06Å; F297-V369 HydrophobicContact CE1-CG2 4.3Å; F297-V369 HydrophobicContact CE2-CG2 4.04Å; F297-V369 HydrophobicContact CG-CG2 4.18Å; F297-V369 HydrophobicContact CZ-CG1 4.46Å; F297-V369 HydrophobicContact CZ-CG2 4.18Å; F297-D373 HydrophobicContact CZ-CB 4.41Å; F297-I375 HydrophobicContact CE1-CG2 3.9Å; F297-I375 HydrophobicContact CZ-CG2 4.37Å
298G87.8Confident78.8Confident3 Ų322.1 Ų22.13%0.03112%0.123CC..THydrogen-bonded Turntrans87.5-7.2-169.400000114.4I352 V362 G490G298-I352 PolarHBondContact N-O 3.45Å; G298-V362 WeakPolarHBondContact O-CG2 3.3Å; G298-G490 PolarHBondContact O-N 3.38Å
299S90Very high79.2Confident0 Ų030.8 Ų30.80%015%0.154CC..EExtended strand (participates in β ladder)trans-65.9135.8177.1-76.30000111.6A296 F297 I351 I352 H487 Y489A296-S299 PolarHBondContact N-OG 2.99Å; A296-S299 WeakPolarHBondContact O-CB 3.28Å; A296-S299 PolarHBondContact O-N 3.17Å; A296-S299 VanDerWaalsContact O-N 3.11Å; A296-S299 PolarHBondContact O-OG 2.88Å; F297-S299 VanDerWaalsContact C-N 3.33Å; S299-I351 WeakPolarHBondContact O-CA 3.45Å; S299-I352 PolarHBondContact O-N 3.12Å; S299-H487 WeakPolarHBondContact CB-NE2 3.3Å; S299-H487 PolarHBondContact OG-NE2 3.42Å; S299-Y489 WeakPolarHBondContact OG-CD1 3.44Å
300Q90Very high79.3Confident2 Ų231.1 Ų31.11%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-96.5126.5169.6-43177.82.100108.1W349 W350 I351 H487 R488Q300-W349 HydrophobicContact CB-CE3 3.93Å; Q300-W349 HydrophobicContact CB-CZ3 4.3Å; Q300-W349 WeakPolarHBondContact O-CZ3 3.39Å; Q300-W350 CarbonylContact C-O 3.58Å; Q300-W350 VanDerWaalsContact CA-O 3.31Å; Q300-W350 WeakPolarHBondContact CA-O 3.27Å; Q300-I351 HydrophobicContact CG-CG1 4.12Å; Q300-H487 WeakPolarHBondContact O-CA 3.31Å; Q300-H487 PolarHBondContact O-CD2 3.48Å; Q300-R488 HydrophobicContact CB-CG 3.71Å; Q300-R488 HydrophobicContact CG-CG 4.22Å; Q300-R488 PolarHBondContact N-O 3.22Å; Q300-R488 PolarHBondContact O-N 2.74Å
301V91.7Very high79.5Confident0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-137151.8-171.5-64.20000112V295 L303 W350 I352 V484 E486 H487V295-V301 HydrophobicContact CG1-CG1 4.2Å; V295-V301 HydrophobicContact CG2-CG1 4.48Å; V301-L303 HydrophobicContact CG2-CG 4.49Å; V301-W350 PolarHBondContact N-O 3.23Å; V301-W350 PolarHBondContact O-N 3.26Å; V301-I352 HydrophobicContact CG2-CD1 3.66Å; V301-I352 HydrophobicContact CG2-CG1 3.98Å; V301-V484 HydrophobicContact CB-CG1 3.8Å; V301-V484 HydrophobicContact CB-CG2 4.19Å; V301-V484 HydrophobicContact CG1-CG1 3.72Å; V301-V484 HydrophobicContact CG1-CG2 4.27Å; V301-V484 HydrophobicContact CG2-CG2 4.47Å; V301-E486 CarbonylContact C-O 3.47Å; V301-E486 VanDerWaalsContact CA-O 3.26Å; V301-E486 WeakPolarHBondContact CA-O 3.46Å; V301-H487 HydrophobicContact CG1-CB 4.32Å
302T90.6Very high79.7Confident0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-105.5129.9164.263.60000109.7N348 W349 V484 E485 E486T302-N348 HydrophobicContact CG2-CB 4.2Å; T302-W349 HydrophobicContact CG2-CD2 3.68Å; T302-W349 HydrophobicContact CG2-CE3 4Å; T302-W349 HydrophobicContact CG2-CG 3.98Å; T302-W349 HydrophobicContact CG2-CH2 4.48Å; T302-W349 HydrophobicContact CG2-CZ2 4.2Å; T302-W349 HydrophobicContact CG2-CZ3 4.38Å; T302-V484 WeakPolarHBondContact O-CA 3.47Å; T302-E485 PolarHBondContact O-N 3.21Å; T302-E486 HydrophobicContact CG2-CB 4.17Å; T302-E486 WeakPolarHBondContact CG2-OE2 3.12Å; T302-E486 PolarHBondContact N-O 3.06Å; T302-E486 VanDerWaalsContact OG1-CB 3.32Å; T302-E486 WeakPolarHBondContact OG1-CB 3.15Å; T302-E486 PolarHBondContact OG1-N 3.48Å; T302-E486 PolarHBondContact OG1-OE2 3.29Å
303L91Very high80.2Confident0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-102.3115.5-177.9-68.2170.1000109.7V301 W314 L315 L377 W432 L441 W482 V484V301-L303 HydrophobicContact CG2-CG 4.49Å; L303-W314 CarbonylContact O-C 3.51Å; L303-W314 VanDerWaalsContact O-CA 3.28Å; L303-W314 WeakPolarHBondContact O-CA 3.09Å; L303-L315 HydrophobicContact CB-CB 4.06Å; L303-L315 HydrophobicContact CD1-CD2 3.91Å; L303-L315 PolarHBondContact O-N 2.74Å; L303-L377 HydrophobicContact CD1-CD1 4.45Å; L303-L377 HydrophobicContact CD1-CD2 4.05Å; L303-W432 HydrophobicContact CD2-CH2 4.42Å; L303-W432 HydrophobicContact CD2-CZ2 3.95Å; L303-L441 HydrophobicContact CD1-CD1 4.16Å; L303-W482 HydrophobicContact CB-CE3 4.05Å; L303-V484 HydrophobicContact CD2-CG2 3.7Å
304R87.6Confident80.8Confident16 Ų1630.5 Ų30.56%0.0616%0.164CC..EExtended strand (participates in β ladder)trans-99.6138.9175.3177.9166.2168.1173.7-2.2110.5Q270 M272 Q277 P312 W482 T483 E485Q270-R304 PolarHBondContact O-NH2 3.36Å; M272-R304 PolarHBondContact O-NH2 3.38Å; Q277-R304 VanDerWaalsContact NE2-NH1 3.18Å; R304-P312 VanDerWaalsContact NH2-CB 3.35Å; R304-W482 CarbonylContact O-C 3.49Å; R304-W482 WeakPolarHBondContact O-CA 3.35Å; R304-T483 PolarHBondContact N-O 3.12Å; R304-T483 PolarHBondContact O-N 2.93Å; R304-T483 PolarHBondContact O-OG1 3.43Å; R304-E485 HydrophobicContact CB-CB 4.45Å; R304-E485 WeakPolarHBondContact CD-OE2 3.5Å; R304-E485 IonicContact NH1-OE2 3.72Å; R304-E485 PolarHBondContact NH1-OE2 2.85Å
305S86.6Confident81.2Confident9 Ų927.4 Ų27.46%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-71.5133.3172.7179.10000111.4A307 C313 L452S305-A307 VanDerWaalsContact C-N 3.27Å; S305-A307 WeakPolarHBondContact OG-CB 3.24Å; S305-A307 PolarHBondContact OG-N 3.48Å; S305-C313 PolarHBondContact N-O 3.24Å; S305-L452 VanDerWaalsContact CB-CD1 3.49Å; S305-L452 WeakPolarHBondContact OG-CD1 3.14Å
306S74.4Confident81.4Confident38 Ų3827.7 Ų27.727%0.26615%0.15SC..  trans-83.7-0.5173.3-57.30000113G481 T483S306-G481 WeakPolarHBondContact CB-O 3.47Å; S306-G481 PolarHBondContact N-O 3.37Å; S306-G481 PolarHBondContact OG-O 2.9Å; S306-T483 WeakPolarHBondContact OG-CG2 3.29Å
307A67.3Low81.7Confident15 Ų1527.8 Ų27.812%0.12415%0.151CC..  trans-63.7134.1-17600000111.8S305 R309 L452S305-A307 VanDerWaalsContact C-N 3.27Å; S305-A307 WeakPolarHBondContact OG-CB 3.24Å; S305-A307 PolarHBondContact OG-N 3.48Å; A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.07Å; A307-L452 HydrophobicContact CB-CD1 4.41Å
308P54.7Low81.8Confident86 Ų8628.1 Ų28.156%0.55815%0.153SC*.  trans-74.8-6.3-174.425.9-32000115.2G478P308-G478 WeakPolarHBondContact CD-O 3.07Å
309R60.4Low82Confident194 Ų19437 Ų3773%0.73219%0.19SC*.SBendtrans-149.6148.6-178.3-62.6-175-177.1-179.20.5112.1A307A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.07Å
310P54.5Low82.2Confident86 Ų8638.4 Ų38.456%0.55820%0.202SC*.SBendcis-99.3-18.7-5.422.8-6.6000114.2M465P310-M465 HydrophobicContact CG-CE 3.91Å
311V63Low82.5Confident74 Ų7440.6 Ų40.645%0.44821%0.214SC..  trans-145.6137.6-178.6-174.50000109C313 A342V311-C313 PolarHBondContact O-N 3.24Å; V311-A342 HydrophobicContact CG1-CB 3.9Å
312P73.9Confident82.5Confident25 Ų2540.6 Ų40.616%0.16221%0.214CC..  trans-58.6129.6170.328.1-37.2000109.6Q270 R304Q270-P312 WeakPolarHBondContact O-CG 3.42Å; R304-P312 VanDerWaalsContact NH2-CB 3.35Å
313C86.2Confident82.6Confident1 Ų142.2 Ų42.21%0.00723%0.225CC..  trans-144.2156.9-179.166.90000111.1S305 V311 C340 Y341 L452S305-C313 PolarHBondContact N-O 3.24Å; V311-C313 PolarHBondContact O-N 3.24Å; C313-C340 HydrophobicContact CB-CB 3.84Å; C313-C340 WeakPolarHBondContact CB-SG 3.4Å; C313-C340 PolarHBondContact O-SG 3.49Å; C313-C340 WeakPolarHBondContact SG-CB 3.4Å; C313-C340 CovalentContact SG-SG 2.02Å; C313-C340 PolarHBondContact SG-SG 3.33Å; C313-Y341 CarbonylContact C-O 3.55Å; C313-Y341 WeakPolarHBondContact CA-O 3.48Å; C313-Y341 VanDerWaalsContact CB-O 3.31Å; C313-Y341 WeakPolarHBondContact CB-O 3.33Å; C313-L452 VanDerWaalsContact SG-CD1 3.52Å
314W90.7Very high82.5Confident12 Ų1247.5 Ų47.55%0.04525%0.252CS..EExtended strand (participates in β ladder)trans-108.6143.3-179.9-65.6-89000110.7L303 H316 C340 Y341 A342 K344 N348 E485L303-W314 CarbonylContact O-C 3.51Å; L303-W314 VanDerWaalsContact O-CA 3.28Å; L303-W314 WeakPolarHBondContact O-CA 3.09Å; W314-H316 PolarHBondContact O-N 3.15Å; W314-H316 VanDerWaalsContact O-N 3.16Å; W314-C340 CarbonylContact O-C 3.55Å; W314-C340 VanDerWaalsContact O-CA 3.27Å; W314-C340 WeakPolarHBondContact O-CA 3.04Å; W314-Y341 PolarHBondContact N-O 3.33Å; W314-Y341 PolarHBondContact O-N 3.09Å; W314-A342 WeakPolarHBondContact CZ3-O 3.42Å; W314-K344 HydrophobicContact CH2-CG 3.98Å; W314-K344 HydrophobicContact CZ2-CG 3.99Å; W314-K344 HydrophobicContact CZ3-CG 4.3Å; W314-N348 HydrophobicContact CB-CB 4.09Å; W314-N348 WeakPolarHBondContact CB-ND2 3.39Å; W314-E485 VanDerWaalsContact CE2-OE2 3.32Å; W314-E485 VanDerWaalsContact CZ2-OE2 3.3Å; W314-E485 WeakPolarHBondContact CZ2-OE2 3.21Å; W314-E485 PolarHBondContact NE1-OE2 3.25Å
315L94.5Very high82.6Confident0 Ų055.8 Ų55.80%028%0.283CS..EExtended strand (participates in β ladder)trans-59.1119.2172.1-172.668000108.9L303 V338 W350 L386 L450 V467 W482L303-L315 HydrophobicContact CB-CB 4.06Å; L303-L315 HydrophobicContact CD1-CD2 3.91Å; L303-L315 PolarHBondContact O-N 2.74Å; L315-V338 HydrophobicContact CD1-CG1 3.62Å; L315-V338 HydrophobicContact CG-CG1 4.37Å; L315-W350 HydrophobicContact CD2-CD2 4.13Å; L315-W350 HydrophobicContact CD2-CG 4.47Å; L315-W350 HydrophobicContact CD2-CZ2 3.87Å; L315-W350 HydrophobicContact CG-CZ2 3.81Å; L315-W350 PolarHBondContact O-NE1 3.3Å; L315-L386 HydrophobicContact CD2-CD2 4.35Å; L315-L450 HydrophobicContact CD1-CD2 4.49Å; L315-L450 HydrophobicContact CD2-CD2 4.45Å; L315-V467 HydrophobicContact CD1-CG1 4.14Å; L315-V467 HydrophobicContact CD1-CG2 4.15Å; L315-W482 HydrophobicContact CB-CE3 4.47Å; L315-W482 HydrophobicContact CB-CH2 4.22Å; L315-W482 HydrophobicContact CB-CZ3 3.79Å; L315-W482 HydrophobicContact CD1-CH2 3.99Å; L315-W482 HydrophobicContact CD1-CZ3 4.43Å
316H94.3Very high82.6Confident7 Ų756 Ų563%0.03228%0.282CS..EExtended strand (participates in β ladder)trans-130.6148.3-166.7-176.986.4000110.5W314 H318 V338 T339 N347 N348W314-H316 PolarHBondContact O-N 3.15Å; W314-H316 VanDerWaalsContact O-N 3.16Å; H316-H318 AromaticContact CD2-ND1 3.4Å; H316-H318 PolarHBondContact CD2-ND1 3.37Å; H316-H318 AromaticContact NE2-ND1 3.5Å; H316-H318 PolarHBondContact NE2-ND1 3.42Å; H316-V338 WeakPolarHBondContact O-CA 3.24Å; H316-T339 PolarHBondContact N-O 3.34Å; H316-T339 PolarHBondContact O-N 2.87Å; H316-N347 WeakPolarHBondContact CE1-CB 3.25Å; H316-N348 PolarHBondContact ND1-OD1 2.99Å
317S95.8Very high82.9Confident1 Ų162.1 Ų62.11%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-148.5142.2169.4-1690000111.3Q336 Q337 N347 H379S317-Q336 VanDerWaalsContact OG-CD 3.26Å; S317-Q336 PolarHBondContact OG-NE2 3.16Å; S317-Q337 PolarHBondContact OG-O 2.9Å; S317-N347 PolarHBondContact N-O 3.38Å; S317-N347 WeakPolarHBondContact O-CB 3.17Å; S317-H379 PolarHBondContact O-CE1 2.72Å; S317-H379 PolarHBondContact O-NE2 3.15Å
318H93.4Very high83.5Confident22 Ų2266.3 Ų66.310%0.10233%0.327CS..EExtended strand (participates in β ladder)trans-137.3166.1-178.350.6-86.6000109.6H316 A320 Q336 Q337 F462 Q464H316-H318 AromaticContact CD2-ND1 3.4Å; H316-H318 PolarHBondContact CD2-ND1 3.37Å; H316-H318 AromaticContact NE2-ND1 3.5Å; H316-H318 PolarHBondContact NE2-ND1 3.42Å; H318-A320 VanDerWaalsContact CD2-CB 3.42Å; H318-A320 WeakPolarHBondContact CD2-CB 3.49Å; H318-A320 PolarHBondContact O-N 3.34Å; H318-Q336 WeakPolarHBondContact O-CG 3.25Å; H318-Q336 PolarHBondContact O-NE2 3.13Å; H318-Q337 PolarHBondContact CE1-OE1 3.49Å; H318-Q337 PolarHBondContact NE2-OE1 3.48Å; H318-F462 AromaticContact CD2-CE2 3.72Å; H318-F462 AromaticContact NE2-CD2 3.67Å; H318-F462 AromaticContact NE2-CE2 3.46Å; H318-F462 WeakPolarHBondContact NE2-CE2 3.45Å; H318-Q464 PolarHBondContact CE1-OE1 3.29Å; H318-Q464 VanDerWaalsContact CE1-OE1 3.27Å
319K92.5Very high84.8Confident188 Ų18864.7 Ų64.782%0.81733%0.326SS*.EExtended strand (participates in β ladder)trans-63.4-5.6-171-64.8-179.6-179177.20115.4T382K319-T382 HydrophobicContact CG-CG2 4.02Å
320A93.9Very high86.1Confident31 Ų3158.5 Ų58.526%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-77.4145.9178.200000110.8H318 Q337 F462H318-A320 VanDerWaalsContact CD2-CB 3.42Å; H318-A320 WeakPolarHBondContact CD2-CB 3.49Å; H318-A320 PolarHBondContact O-N 3.34Å; A320-Q337 WeakPolarHBondContact O-CG 3.43Å; A320-Q337 PolarHBondContact O-N 3.13Å; A320-F462 HydrophobicContact CB-CE2 4.14Å
321N94.6Very high87.5Confident47 Ų4757 Ų5725%0.25130%0.303SS..EExtended strand (participates in β ladder)trans-103155.1179.2-65.5-2000110.7H334 Q335 Q337 I406N321-H334 PolarHBondContact ND2-O 3.11Å; N321-Q335 CarbonylContact C-O 2.77Å; N321-Q335 WeakPolarHBondContact CA-O 3.43Å; N321-Q335 WeakPolarHBondContact CB-O 3.44Å; N321-Q337 VanDerWaalsContact C-CG 3.5Å; N321-Q337 PolarHBondContact O-NE2 2.92Å; N321-I406 WeakPolarHBondContact OD1-CD1 3.3Å
322Y93.1Very high88.7Confident1 Ų154.4 Ų54.40%0.00429%0.288CS..PPolyproline II helixtrans-57.3144.8168-74.2-73.8000109.9Y326 S332 H334 Q335 Q337 V338 P394 E401 V402 W460Y322-Y326 HydrophobicContact CD1-CE1 4.44Å; Y322-S332 VanDerWaalsContact CB-OG 3.27Å; Y322-S332 WeakPolarHBondContact CB-OG 3.07Å; Y322-H334 WeakPolarHBondContact O-CA 3.24Å; Y322-H334 PolarHBondContact O-ND1 2.96Å; Y322-Q335 PolarHBondContact N-O 3.2Å; Y322-Q337 HydrophobicContact CD1-CG 4.07Å; Y322-Q337 HydrophobicContact CD2-CG 4.2Å; Y322-Q337 HydrophobicContact CE1-CG 4.2Å; Y322-Q337 HydrophobicContact CE2-CB 4.37Å; Y322-Q337 HydrophobicContact CE2-CG 4.35Å; Y322-Q337 HydrophobicContact CG-CG 4.06Å; Y322-V338 PolarHBondContact OH-O 3.21Å; Y322-V338 VanDerWaalsContact OH-O 3.06Å; Y322-P394 HydrophobicContact CE1-CG 4.12Å; Y322-E401 HydrophobicContact CD2-CG 4.4Å; Y322-E401 WeakPolarHBondContact CD2-OE2 3.49Å; Y322-E401 HydrophobicContact CE2-CG 4Å; Y322-E401 VanDerWaalsContact CG-OE2 3.27Å; Y322-V402 PolarHBondContact OH-O 3.43Å; Y322-V402 VanDerWaalsContact OH-O 3.11Å; Y322-W460 AromaticContact CD1-CH2 3.61Å; Y322-W460 HydrophobicContact CD1-CH2 3.61Å; Y322-W460 AromaticContact CD1-CZ3 3.48Å; Y322-W460 HydrophobicContact CD1-CZ3 3.48Å; Y322-W460 VanDerWaalsContact CD1-CZ3 3.48Å; Y322-W460 AromaticContact CE1-CH2 3.78Å; Y322-W460 HydrophobicContact CE1-CH2 3.78Å; Y322-W460 AromaticContact CE1-CZ3 3.76Å; Y322-W460 HydrophobicContact CE1-CZ3 3.76Å
323P92.6Very high89.4Confident34 Ų3454.1 Ų54.122%0.22129%0.287CS..PPolyproline II helixtrans-62.6154.3175.629.3-36.1000109.9R325 Y326 S332 W460P323-R325 VanDerWaalsContact C-N 3.27Å; P323-R325 PolarHBondContact O-N 2.86Å; P323-Y326 HydrophobicContact CG-CD1 3.88Å; P323-Y326 HydrophobicContact CG-CE1 4.29Å; P323-S332 WeakPolarHBondContact O-CB 3.33Å; P323-S332 PolarHBondContact O-OG 3.49Å; P323-W460 HydrophobicContact CG-CD2 4.07Å; P323-W460 HydrophobicContact CG-CE3 4.43Å; P323-W460 HydrophobicContact CG-CG 4.39Å; P323-W460 HydrophobicContact CG-CZ2 4.44Å
324I89.1Confident89.7Confident111 Ų11157.5 Ų57.557%0.56930%0.302SS*.SBendtrans-64.8-34.6-179.6-62.3170.4000111.5S332 H334I324-S332 PolarHBondContact O-N 3.44Å; I324-H334 HydrophobicContact CG1-CB 4.24Å
325R88.9Confident89.8Confident190 Ų19057.2 Ų57.272%0.71730%0.301SS*.BIsolated β-bridgetrans-131.6137.1172.9-66.6-176.4179.9-179.4-1.3109P323 R330P323-R325 VanDerWaalsContact C-N 3.27Å; P323-R325 PolarHBondContact O-N 2.86Å; R325-R330 VanDerWaalsContact CA-O 3.31Å; R325-R330 WeakPolarHBondContact CA-O 3.49Å
326Y86.1Confident89.8Confident13 Ų1357.5 Ų57.55%0.05130%0.303CS..  trans-76.2168170.5-49.8-56.8000110.4Y322 P323 N328 G329 R330 S332 P394 E401 W460Y322-Y326 HydrophobicContact CD1-CE1 4.44Å; P323-Y326 HydrophobicContact CG-CD1 3.88Å; P323-Y326 HydrophobicContact CG-CE1 4.29Å; Y326-N328 PolarHBondContact O-N 3.34Å; Y326-N328 VanDerWaalsContact O-N 3.12Å; Y326-G329 PolarHBondContact O-N 3.34Å; Y326-R330 HydrophobicContact CD2-CB 3.95Å; Y326-R330 PolarHBondContact N-O 2.65Å; Y326-S332 VanDerWaalsContact CZ-CB 3.45Å; Y326-P394 HydrophobicContact CD1-CB 3.9Å; Y326-P394 HydrophobicContact CE1-CB 3.62Å; Y326-P394 HydrophobicContact CE1-CG 4.49Å; Y326-P394 HydrophobicContact CE2-CB 4.46Å; Y326-P394 HydrophobicContact CG-CB 4.45Å; Y326-E401 PolarHBondContact OH-OE2 3.35Å; Y326-W460 HydrophobicContact CD1-CZ2 4.33Å
327E81.3Confident89.8Confident167 Ų16757.3 Ų57.378%0.7830%0.302SS*.THydrogen-bonded Turntrans-57-30-177.9-66.2177.3-178.100113.5G329E327-G329 PolarHBondContact O-N 2.9Å
328N79Confident89.9Confident103 Ų10357.2 Ų57.255%0.55130%0.301SS*.THydrogen-bonded Turntrans-8513.5176.660.38000114.4Y326 R330Y326-N328 PolarHBondContact O-N 3.34Å; Y326-N328 VanDerWaalsContact O-N 3.12Å; N328-R330 VanDerWaalsContact CG-NE 3.34Å; N328-R330 PolarHBondContact ND2-NE 3.44Å; N328-R330 PolarHBondContact ND2-NH2 2.9Å; N328-R330 PolarHBondContact O-N 3.42Å; N328-R330 PolarHBondContact OD1-NE 3.13Å; N328-R330 PolarHBondContact OD1-NH2 2.97Å
329G83.1Confident89.9Confident52 Ų5256.2 Ų56.254%0.53630%0.297SS..SBendtrans79-3.8174.700000115.3Y326 E327Y326-G329 PolarHBondContact O-N 3.34Å; E327-G329 PolarHBondContact O-N 2.9Å
330R87.3Confident89.9Confident63 Ų6347.3 Ų47.324%0.23826%0.258CS..  trans-67.3141.6174.5-71.1-177.5-63.2150.31.9110.8R325 Y326 N328 A393 P394R325-R330 VanDerWaalsContact CA-O 3.31Å; R325-R330 WeakPolarHBondContact CA-O 3.49Å; Y326-R330 HydrophobicContact CD2-CB 3.95Å; Y326-R330 PolarHBondContact N-O 2.65Å; N328-R330 VanDerWaalsContact CG-NE 3.34Å; N328-R330 PolarHBondContact ND2-NE 3.44Å; N328-R330 PolarHBondContact ND2-NH2 2.9Å; N328-R330 PolarHBondContact O-N 3.42Å; N328-R330 PolarHBondContact OD1-NE 3.13Å; N328-R330 PolarHBondContact OD1-NH2 2.97Å; R330-A393 PolarHBondContact NH1-O 3.18Å; R330-P394 PolarHBondContact NH2-O 2.88Å
331G84.5Confident89.7Confident54 Ų5449 Ų4956%0.55726%0.258SS*.BIsolated β-bridgetrans-73.8150.6174.300000112.1
332S87.9Confident89.1Confident20 Ų2048.3 Ų48.314%0.1426%0.259CS..  trans-124.9163.1-179.5159.50000109.9Y322 P323 I324 Y326 H334Y322-S332 VanDerWaalsContact CB-OG 3.27Å; Y322-S332 WeakPolarHBondContact CB-OG 3.07Å; P323-S332 WeakPolarHBondContact O-CB 3.33Å; P323-S332 PolarHBondContact O-OG 3.49Å; I324-S332 PolarHBondContact O-N 3.44Å; Y326-S332 VanDerWaalsContact CZ-CB 3.45Å; S332-H334 PolarHBondContact O-N 3.24Å; S332-H334 PolarHBondContact OG-N 3.17Å
333S88.8Confident88.4Confident20 Ų2053.6 Ų53.614%0.1428%0.282CS..  trans-73-15.1178.373.20000114.4Q335 H389 E401S333-Q335 PolarHBondContact O-N 3.43Å; S333-Q335 VanDerWaalsContact O-N 3.1Å; S333-Q335 WeakPolarHBondContact OG-CB 3.41Å; S333-Q335 WeakPolarHBondContact OG-CG 3.25Å; S333-Q335 PolarHBondContact OG-N 3.05Å; S333-H389 WeakPolarHBondContact CB-NE2 3.33Å; S333-E401 WeakPolarHBondContact CB-OE1 3.26Å; S333-E401 PolarHBondContact OG-OE1 2.71Å
334H91.8Very high87.7Confident72 Ų7256 Ų5633%0.33329%0.289SS..  trans54.222.2-172-162.532.6000114.1N321 Y322 I324 S332 F408N321-H334 PolarHBondContact ND2-O 3.11Å; Y322-H334 WeakPolarHBondContact O-CA 3.24Å; Y322-H334 PolarHBondContact O-ND1 2.96Å; I324-H334 HydrophobicContact CG1-CB 4.24Å; S332-H334 PolarHBondContact O-N 3.24Å; S332-H334 PolarHBondContact OG-N 3.17Å; H334-F408 WeakPolarHBondContact O-CE2 3.37Å; H334-F408 WeakPolarHBondContact O-CZ 3.27Å
335Q92.5Very high87.3Confident6 Ų653.6 Ų53.63%0.02828%0.277CS..  trans-81.4175.3176.3-67.1-176.516.200112N321 Y322 S333 Q337 N387 S403N321-Q335 CarbonylContact C-O 2.77Å; N321-Q335 WeakPolarHBondContact CA-O 3.43Å; N321-Q335 WeakPolarHBondContact CB-O 3.44Å; Y322-Q335 PolarHBondContact N-O 3.2Å; S333-Q335 PolarHBondContact O-N 3.43Å; S333-Q335 VanDerWaalsContact O-N 3.1Å; S333-Q335 WeakPolarHBondContact OG-CB 3.41Å; S333-Q335 WeakPolarHBondContact OG-CG 3.25Å; S333-Q335 PolarHBondContact OG-N 3.05Å; Q335-Q337 PolarHBondContact O-N 3.15Å; Q335-N387 PolarHBondContact OE1-ND2 3.39Å; Q335-S403 PolarHBondContact OE1-OG 3.22Å
336Q94.9Very high86.9Confident5 Ų546.2 Ų46.22%0.02325%0.254CS..EExtended strand (participates in β ladder)trans-62.2135.6179-166.4-176.4-600110.1S317 H318 T382 R384 S403 G404 I406S317-Q336 VanDerWaalsContact OG-CD 3.26Å; S317-Q336 PolarHBondContact OG-NE2 3.16Å; H318-Q336 WeakPolarHBondContact O-CG 3.25Å; H318-Q336 PolarHBondContact O-NE2 3.13Å; Q336-T382 VanDerWaalsContact NE2-CG2 3.27Å; Q336-T382 PolarHBondContact NE2-OG1 3.39Å; Q336-T382 VanDerWaalsContact NE2-OG1 3.16Å; Q336-T382 PolarHBondContact OE1-OG1 3.05Å; Q336-R384 VanDerWaalsContact OE1-CB 3.26Å; Q336-S403 WeakPolarHBondContact O-CA 3.4Å; Q336-G404 WeakPolarHBondContact CB-O 3.42Å; Q336-G404 PolarHBondContact N-O 3.5Å; Q336-G404 VanDerWaalsContact N-O 3.12Å; Q336-G404 PolarHBondContact O-N 3.49Å; Q336-I406 HydrophobicContact CB-CD1 4Å; Q336-I406 HydrophobicContact CB-CG1 4.24Å
337Q95.5Very high87Confident3 Ų347.6 Ų47.61%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-66.1135.7178.4-64.2174.98.100110.9S317 H318 A320 N321 Y322 Q335 T339 W460S317-Q337 PolarHBondContact OG-O 2.9Å; H318-Q337 PolarHBondContact CE1-OE1 3.49Å; H318-Q337 PolarHBondContact NE2-OE1 3.48Å; A320-Q337 WeakPolarHBondContact O-CG 3.43Å; A320-Q337 PolarHBondContact O-N 3.13Å; N321-Q337 VanDerWaalsContact C-CG 3.5Å; N321-Q337 PolarHBondContact O-NE2 2.92Å; Y322-Q337 HydrophobicContact CD1-CG 4.07Å; Y322-Q337 HydrophobicContact CD2-CG 4.2Å; Y322-Q337 HydrophobicContact CE1-CG 4.2Å; Y322-Q337 HydrophobicContact CE2-CB 4.37Å; Y322-Q337 HydrophobicContact CE2-CG 4.35Å; Y322-Q337 HydrophobicContact CG-CG 4.06Å; Q335-Q337 PolarHBondContact O-N 3.15Å; Q337-T339 HydrophobicContact CB-CG2 4.4Å; Q337-W460 PolarHBondContact NE2-O 3.34Å; Q337-W460 VanDerWaalsContact NE2-O 3.14Å
338V96.4Very high87.5Confident0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-121.4124.1167175.90000107.6L315 H316 Y322 W350 L386 V402 S403L315-V338 HydrophobicContact CD1-CG1 3.62Å; L315-V338 HydrophobicContact CG-CG1 4.37Å; H316-V338 WeakPolarHBondContact O-CA 3.24Å; Y322-V338 PolarHBondContact OH-O 3.21Å; Y322-V338 VanDerWaalsContact OH-O 3.06Å; V338-W350 HydrophobicContact CG1-CZ2 4.41Å; V338-W350 HydrophobicContact CG2-CH2 4.26Å; V338-L386 HydrophobicContact CB-CD1 4.43Å; V338-L386 HydrophobicContact CG1-CD1 3.85Å; V338-L386 HydrophobicContact CG2-CD1 4.05Å; V338-V402 HydrophobicContact CB-CG1 4.28Å; V338-V402 HydrophobicContact CG1-CG1 4.14Å; V338-S403 VanDerWaalsContact CG2-C 3.44Å
339T94.5Very high88.1Confident0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-134.6179.3-171.263.70000109.7H316 Q337 L457 Q464H316-T339 PolarHBondContact N-O 3.34Å; H316-T339 PolarHBondContact O-N 2.87Å; Q337-T339 HydrophobicContact CB-CG2 4.4Å; T339-L457 HydrophobicContact CG2-CD1 3.61Å; T339-Q464 VanDerWaalsContact CB-OE1 3.26Å; T339-Q464 HydrophobicContact CG2-CB 4.2Å; T339-Q464 PolarHBondContact OG1-OE1 3.29Å
340C91.9Very high88.6Confident1 Ų133 Ų331%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-117.3113.6168.5-158.80000109.4C313 W314 L452 M465 V467C313-C340 HydrophobicContact CB-CB 3.84Å; C313-C340 WeakPolarHBondContact CB-SG 3.4Å; C313-C340 PolarHBondContact O-SG 3.49Å; C313-C340 WeakPolarHBondContact SG-CB 3.4Å; C313-C340 CovalentContact SG-SG 2.02Å; C313-C340 PolarHBondContact SG-SG 3.33Å; W314-C340 CarbonylContact O-C 3.55Å; W314-C340 VanDerWaalsContact O-CA 3.27Å; W314-C340 WeakPolarHBondContact O-CA 3.04Å; C340-L452 HydrophobicContact CB-CD2 3.45Å; C340-L452 VanDerWaalsContact CB-CD2 3.45Å; C340-M465 HydrophobicContact CB-CB 4.05Å; C340-M465 PolarHBondContact N-O 3.25Å; C340-M465 PolarHBondContact O-N 3.01Å; C340-M465 VanDerWaalsContact O-N 3.14Å; C340-V467 HydrophobicContact CB-CG2 3.81Å
341Y90.2Very high88.9Confident67 Ų6730.2 Ų30.226%0.26317%0.165SC..EExtended strand (participates in β ladder)trans-98.1137.3-174.1-173.3-129.2000111.1C313 W314 F343 D345 Q464C313-Y341 CarbonylContact C-O 3.55Å; C313-Y341 WeakPolarHBondContact CA-O 3.48Å; C313-Y341 VanDerWaalsContact CB-O 3.31Å; C313-Y341 WeakPolarHBondContact CB-O 3.33Å; W314-Y341 PolarHBondContact N-O 3.33Å; W314-Y341 PolarHBondContact O-N 3.09Å; Y341-F343 VanDerWaalsContact C-N 3.28Å; Y341-F343 HydrophobicContact CD1-CB 4.18Å; Y341-F343 WeakPolarHBondContact CD1-O 3.41Å; Y341-F343 HydrophobicContact CE1-CB 3.6Å; Y341-F343 HydrophobicContact CE1-CD2 4.18Å; Y341-F343 HydrophobicContact CE1-CG 4.4Å; Y341-F343 AromaticContact CE2-CD2 3.93Å; Y341-F343 HydrophobicContact CE2-CD2 3.93Å; Y341-F343 AromaticContact CZ-CD2 3.64Å; Y341-F343 PolarHBondContact O-N 2.85Å; Y341-D345 HydrophobicContact CD1-CB 4.15Å; Y341-D345 HydrophobicContact CE1-CB 4.15Å; Y341-Q464 HydrophobicContact CD2-CG 4.01Å
342A82.3Confident89.3Confident32 Ų3227.6 Ų27.626%0.26414%0.139SC..SBendtrans-81.6-1.5-172.600000114.4V311 W314V311-A342 HydrophobicContact CG1-CB 3.9Å; W314-A342 WeakPolarHBondContact CZ3-O 3.42Å
343F78.3Confident89.5Confident113 Ų11328.4 Ų28.450%0.49614%0.14SC..SBendtrans-127.8160.3-179.6-55.4-82.1000111.5Y341 N348Y341-F343 VanDerWaalsContact C-N 3.28Å; Y341-F343 HydrophobicContact CD1-CB 4.18Å; Y341-F343 WeakPolarHBondContact CD1-O 3.41Å; Y341-F343 HydrophobicContact CE1-CB 3.6Å; Y341-F343 HydrophobicContact CE1-CD2 4.18Å; Y341-F343 HydrophobicContact CE1-CG 4.4Å; Y341-F343 AromaticContact CE2-CD2 3.93Å; Y341-F343 HydrophobicContact CE2-CD2 3.93Å; Y341-F343 AromaticContact CZ-CD2 3.64Å; Y341-F343 PolarHBondContact O-N 2.85Å; F343-N348 PolarHBondContact O-ND2 3.09Å
344K77.1Confident89.6Confident84 Ų8428.4 Ų28.437%0.36514%0.138SC..  trans-74.4126.3174.7-67.5-168.7168.3-147.50110.5W314 E485 E486W314-K344 HydrophobicContact CH2-CG 3.98Å; W314-K344 HydrophobicContact CZ2-CG 3.99Å; W314-K344 HydrophobicContact CZ3-CG 4.3Å; K344-E485 WeakPolarHBondContact CE-OE1 3.35Å; K344-E485 IonicContact NZ-OE1 3.09Å; K344-E485 PolarHBondContact NZ-OE1 3.08Å; K344-E486 IonicContact NZ-OE1 2.79Å; K344-E486 PolarHBondContact NZ-OE1 2.86Å; K344-E486 IonicContact NZ-OE2 2.73Å
345D79.9Confident89.5Confident60 Ų6027.3 Ų27.332%0.32114%0.137SC..  trans-143.3155.1-177.9-162.4-68.4000109.9Y341 N347 N348Y341-D345 HydrophobicContact CD1-CB 4.15Å; Y341-D345 HydrophobicContact CE1-CB 4.15Å; D345-N347 PolarHBondContact O-N 3.28Å; D345-N347 VanDerWaalsContact OD1-CB 3.32Å; D345-N347 WeakPolarHBondContact OD1-CB 3.33Å; D345-N347 PolarHBondContact OD1-N 3.09Å; D345-N347 PolarHBondContact OD1-ND2 3.47Å; D345-N348 PolarHBondContact N-ND2 3.12Å; D345-N348 VanDerWaalsContact O-CB 3.26Å; D345-N348 WeakPolarHBondContact O-CB 3.48Å; D345-N348 PolarHBondContact O-N 3.27Å
346V81.8Confident89.2Confident36 Ų3631.3 Ų31.322%0.21817%0.172CC..G310 helixtrans-64.3-27.2174.2-172.70000110.9N348 W349 M381 L502V346-N348 PolarHBondContact O-N 3.45Å; V346-W349 VanDerWaalsContact O-CD1 3.31Å; V346-W349 PolarHBondContact O-N 3.02Å; V346-M381 HydrophobicContact CG1-CG 4.02Å; V346-M381 HydrophobicContact CG1-SD 3.62Å; V346-L502 HydrophobicContact CG1-CB 3.94Å
347N88.9Confident88.6Confident42 Ų4236.2 Ų36.223%0.22519%0.19CC..G310 helixtrans-74.14.6173.1-66.1-60.3000114.1H316 S317 D345 H379H316-N347 WeakPolarHBondContact CE1-CB 3.25Å; S317-N347 PolarHBondContact N-O 3.38Å; S317-N347 WeakPolarHBondContact O-CB 3.17Å; D345-N347 PolarHBondContact O-N 3.28Å; D345-N347 VanDerWaalsContact OD1-CB 3.32Å; D345-N347 WeakPolarHBondContact OD1-CB 3.33Å; D345-N347 PolarHBondContact OD1-N 3.09Å; D345-N347 PolarHBondContact OD1-ND2 3.47Å; N347-H379 PolarHBondContact O-NE2 3.01Å
348N91.6Very high87.7Confident1 Ų144.7 Ų44.71%0.00523%0.229CC..G310 helixtrans-91.6-6.2173.1-60.3-8.8000112.6T302 W314 H316 F343 D345 V346 W350T302-N348 HydrophobicContact CG2-CB 4.2Å; W314-N348 HydrophobicContact CB-CB 4.09Å; W314-N348 WeakPolarHBondContact CB-ND2 3.39Å; H316-N348 PolarHBondContact ND1-OD1 2.99Å; F343-N348 PolarHBondContact O-ND2 3.09Å; D345-N348 PolarHBondContact N-ND2 3.12Å; D345-N348 VanDerWaalsContact O-CB 3.26Å; D345-N348 WeakPolarHBondContact O-CB 3.48Å; D345-N348 PolarHBondContact O-N 3.27Å; V346-N348 PolarHBondContact O-N 3.45Å; N348-W350 VanDerWaalsContact O-CD1 3.22Å
349W90.6Very high86.8Confident15 Ų1550.5 Ų50.56%0.05726%0.257CS..EExtended strand (participates in β ladder)trans-83.6132.5-175.8-72.390.6000112Q300 T302 V346 H379 G380 E486 R488 L502Q300-W349 HydrophobicContact CB-CE3 3.93Å; Q300-W349 HydrophobicContact CB-CZ3 4.3Å; Q300-W349 WeakPolarHBondContact O-CZ3 3.39Å; T302-W349 HydrophobicContact CG2-CD2 3.68Å; T302-W349 HydrophobicContact CG2-CE3 4Å; T302-W349 HydrophobicContact CG2-CG 3.98Å; T302-W349 HydrophobicContact CG2-CH2 4.48Å; T302-W349 HydrophobicContact CG2-CZ2 4.2Å; T302-W349 HydrophobicContact CG2-CZ3 4.38Å; V346-W349 VanDerWaalsContact O-CD1 3.31Å; V346-W349 PolarHBondContact O-N 3.02Å; W349-H379 PolarHBondContact O-CD2 3.29Å; W349-G380 PolarHBondContact O-N 2.97Å; W349-E486 HydrophobicContact CH2-CB 3.65Å; W349-E486 HydrophobicContact CZ2-CB 4.02Å; W349-E486 HydrophobicContact CZ3-CB 4.34Å; W349-R488 HydrophobicContact CH2-CG 4.3Å; W349-R488 VanDerWaalsContact CH2-NE 3.32Å; W349-R488 HydrophobicContact CZ3-CG 3.85Å; W349-L502 HydrophobicContact CB-CD2 3.59Å; W349-L502 HydrophobicContact CD2-CD2 3.77Å; W349-L502 HydrophobicContact CE3-CD2 4.23Å; W349-L502 HydrophobicContact CG-CD2 3.49Å; W349-L502 VanDerWaalsContact CG-CD2 3.49Å
350W94.2Very high86Confident0 Ų052.3 Ų52.30%027%0.266CS..EExtended strand (participates in β ladder)trans-126.8144177.4-65.984.3000110.3Q300 V301 L315 V338 N348 L377 V378 H379 L386Q300-W350 CarbonylContact C-O 3.58Å; Q300-W350 VanDerWaalsContact CA-O 3.31Å; Q300-W350 WeakPolarHBondContact CA-O 3.27Å; V301-W350 PolarHBondContact N-O 3.23Å; V301-W350 PolarHBondContact O-N 3.26Å; L315-W350 HydrophobicContact CD2-CD2 4.13Å; L315-W350 HydrophobicContact CD2-CG 4.47Å; L315-W350 HydrophobicContact CD2-CZ2 3.87Å; L315-W350 HydrophobicContact CG-CZ2 3.81Å; L315-W350 PolarHBondContact O-NE1 3.3Å; V338-W350 HydrophobicContact CG1-CZ2 4.41Å; V338-W350 HydrophobicContact CG2-CH2 4.26Å; N348-W350 VanDerWaalsContact O-CD1 3.22Å; W350-L377 HydrophobicContact CB-CD2 4.09Å; W350-L377 HydrophobicContact CE3-CB 3.93Å; W350-L377 HydrophobicContact CZ3-CB 4.42Å; W350-V378 CarbonylContact C-O 3.55Å; W350-V378 WeakPolarHBondContact CA-O 3.41Å; W350-H379 HydrophobicContact CE3-CB 4.05Å; W350-H379 HydrophobicContact CH2-CB 3.99Å; W350-H379 HydrophobicContact CZ2-CB 4.49Å; W350-H379 HydrophobicContact CZ3-CB 3.75Å; W350-L386 HydrophobicContact CH2-CB 4.28Å; W350-L386 HydrophobicContact CH2-CD1 3.88Å; W350-L386 HydrophobicContact CZ3-CB 3.79Å; W350-L386 HydrophobicContact CZ3-CD1 4.25Å
351I93.4Very high85.5Confident3 Ų353.8 Ų53.82%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-104.5127.7177.8-46.4-177.5000108.5S299 Q300 K353 L360 V378S299-I351 WeakPolarHBondContact O-CA 3.45Å; Q300-I351 HydrophobicContact CG-CG1 4.12Å; I351-K353 PolarHBondContact O-N 3.41Å; I351-L360 HydrophobicContact CG2-CD2 4.48Å; I351-V378 HydrophobicContact CB-CB 4.27Å; I351-V378 PolarHBondContact N-O 3.28Å; I351-V378 PolarHBondContact O-N 3.41Å
352I93.6Very high85.1Confident0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-81.7108.9175.4-50.1-52.2000108.9V295 F297 G298 S299 V301 V369 I375 L377 W432V295-I352 HydrophobicContact CG1-CG1 4.01Å; F297-I352 HydrophobicContact CD1-CG2 4.29Å; G298-I352 PolarHBondContact N-O 3.45Å; S299-I352 PolarHBondContact O-N 3.12Å; V301-I352 HydrophobicContact CG2-CD1 3.66Å; V301-I352 HydrophobicContact CG2-CG1 3.98Å; I352-V369 HydrophobicContact CG2-CG2 4Å; I352-I375 HydrophobicContact CD1-CD1 4.43Å; I352-I375 HydrophobicContact CG2-CB 4.11Å; I352-I375 HydrophobicContact CG2-CD1 4.31Å; I352-I375 HydrophobicContact CG2-CG2 3.99Å; I352-L377 HydrophobicContact CD1-CD2 3.35Å; I352-L377 HydrophobicContact CD1-CG 4.45Å; I352-W432 HydrophobicContact CD1-CH2 3.83Å; I352-W432 HydrophobicContact CD1-CZ3 3.86Å; I352-W432 HydrophobicContact CG1-CH2 4.46Å; I352-W432 HydrophobicContact CG1-CZ3 4.11Å; I352-W432 HydrophobicContact CG2-CZ3 4.39Å
353K92.1Very high85Confident37 Ų3751.9 Ų51.916%0.16127%0.266CS..EExtended strand (participates in β ladder)trans-107.9140.1-176.7-177.2-171.1-179.6-170.60111.6I351 R357 L360 Q376 V378I351-K353 PolarHBondContact O-N 3.41Å; K353-R357 WeakPolarHBondContact CE-O 3.27Å; K353-L360 HydrophobicContact CB-CD2 4.05Å; K353-L360 HydrophobicContact CD-CD2 3.66Å; K353-L360 HydrophobicContact CG-CD2 3.82Å; K353-Q376 HydrophobicContact CB-CB 4.04Å; K353-Q376 PolarHBondContact N-O 3.07Å; K353-Q376 PolarHBondContact O-N 3.18Å; K353-V378 HydrophobicContact CB-CG2 4.08Å; K353-V378 HydrophobicContact CD-CG2 4.05Å
354D90.6Very high85Confident20 Ų2052.5 Ų52.511%0.10728%0.284CS..  trans-76.4122.5168.8-173.1-24000109.3F297 A356 R357 R367F297-D354 HydrophobicContact CB-CB 4.49Å; F297-D354 HydrophobicContact CD1-CB 3.66Å; F297-D354 HydrophobicContact CE1-CB 3.98Å; F297-D354 HydrophobicContact CG-CB 4.08Å; D354-A356 PolarHBondContact O-N 3.27Å; D354-A356 VanDerWaalsContact O-N 3.12Å; D354-A356 WeakPolarHBondContact OD1-CB 2.92Å; D354-A356 PolarHBondContact OD1-N 3.3Å; D354-R357 HydrophobicContact CB-CB 4.46Å; D354-R357 PolarHBondContact O-N 3.19Å; D354-R357 VanDerWaalsContact O-N 3.15Å; D354-R357 VanDerWaalsContact O-O 3.12Å; D354-R367 IonicContact OD2-CZ 2.84Å; D354-R367 IonicContact OD2-NH1 3.53Å; D354-R367 PolarHBondContact OD2-NH1 2.98Å; D354-R367 IonicContact OD2-NH2 3.62Å
355P88.6Confident85.2Confident49 Ų4953.9 Ų53.932%0.31830%0.301SS..THydrogen-bonded Turntrans-55.2-27.6177.3-2330.8000114.6I374 Q376 L417P355-I374 VanDerWaalsContact CD-O 3.26Å; P355-I374 WeakPolarHBondContact CD-O 3.18Å; P355-I374 HydrophobicContact CG-CG2 4.02Å; P355-Q376 HydrophobicContact CG-CG 4.25Å; P355-L417 HydrophobicContact CB-CD2 3.82Å; P355-L417 HydrophobicContact CG-CD2 3.76Å
356A86.3Confident85.4Confident90 Ų9053.7 Ų53.774%0.74430%0.303SS*.THydrogen-bonded Turntrans-82.3-12.2-176.900000113.7D354D354-A356 PolarHBondContact O-N 3.27Å; D354-A356 VanDerWaalsContact O-N 3.12Å; D354-A356 WeakPolarHBondContact OD1-CB 2.92Å; D354-A356 PolarHBondContact OD1-N 3.3Å
357R82.8Confident85.7Confident108 Ų10857.2 Ų57.241%0.40831%0.313SS..  trans-121.9153.1-175.4-64.8-169.7179.8176.66.5111.8K353 D354 D363K353-R357 WeakPolarHBondContact CE-O 3.27Å; D354-R357 HydrophobicContact CB-CB 4.46Å; D354-R357 PolarHBondContact O-N 3.19Å; D354-R357 VanDerWaalsContact O-N 3.15Å; D354-R357 VanDerWaalsContact O-O 3.12Å; R357-D363 IonicContact CZ-OD2 2.99Å; R357-D363 VanDerWaalsContact NH1-CG 3.3Å; R357-D363 IonicContact NH1-OD1 3.59Å; R357-D363 PolarHBondContact NH1-OD1 3.2Å; R357-D363 VanDerWaalsContact NH1-OD1 3.09Å; R357-D363 IonicContact NH1-OD2 3.77Å; R357-D363 PolarHBondContact NH1-OD2 3.18Å
358Q77.3Confident85.8Confident181 Ų18156.8 Ų56.885%0.84631%0.31SS*.  trans-91.7-20.7175.9-67.9-170.2-11.500113
359E76.1Confident85.7Confident122 Ų12256.7 Ų56.757%0.5731%0.31SS*.  trans-68.7144.3-178.8-65.1173.2-172.500112
360L77.6Confident85.8Confident37 Ų3762.2 Ų62.219%0.19433%0.331CS..  trans-114.38.1-179.3-66.3172.4000112.3I351 K353 V378I351-L360 HydrophobicContact CG2-CD2 4.48Å; K353-L360 HydrophobicContact CB-CD2 4.05Å; K353-L360 HydrophobicContact CD-CD2 3.66Å; K353-L360 HydrophobicContact CG-CD2 3.82Å; L360-V378 HydrophobicContact CD2-CG2 4.2Å
361V82.1Confident85.7Confident32 Ų3265 Ų6519%0.19434%0.344CS..SBendtrans-101.3153.2-177.6174.30000109.3G490 Q493V361-G490 WeakPolarHBondContact CG1-O 3.09Å; V361-Q493 HydrophobicContact CG2-CB 4.5Å; V361-Q493 HydrophobicContact CG2-CG 3.64Å
362V82.2Confident85.5Confident17 Ų1766.6 Ų66.610%0.10336%0.36CS..PPolyproline II helixtrans-76.5131177.4-179.90000110.9A296 G298 P366 Y489 G490A296-V362 HydrophobicContact CB-CG1 4.28Å; G298-V362 WeakPolarHBondContact O-CG2 3.3Å; V362-P366 HydrophobicContact CG1-CB 3.88Å; V362-P366 HydrophobicContact CG1-CG 4.18Å; V362-Y489 HydrophobicContact CB-CD1 4.39Å; V362-Y489 HydrophobicContact CG1-CD1 3.93Å; V362-Y489 HydrophobicContact CG1-CE1 4.43Å; V362-Y489 HydrophobicContact CG1-CG 4.19Å; V362-Y489 HydrophobicContact CG2-CD1 3.77Å; V362-Y489 HydrophobicContact CG2-CG 4.12Å; V362-G490 PolarHBondContact N-O 2.56Å
363D79.8Confident85.6Confident43 Ų4368.9 Ų68.923%0.2337%0.372CS..PPolyproline II helixtrans-61.1151.2174.9-72.7-19000111.9R357 P365 P366R357-D363 IonicContact CZ-OD2 2.99Å; R357-D363 VanDerWaalsContact NH1-CG 3.3Å; R357-D363 IonicContact NH1-OD1 3.59Å; R357-D363 PolarHBondContact NH1-OD1 3.2Å; R357-D363 VanDerWaalsContact NH1-OD1 3.09Å; R357-D363 IonicContact NH1-OD2 3.77Å; R357-D363 PolarHBondContact NH1-OD2 3.18Å; D363-P365 CarbonylContact C-O 3.25Å; D363-P365 WeakPolarHBondContact CB-O 3.42Å; D363-P365 CarbonylContact O-C 3.53Å; D363-P366 VanDerWaalsContact O-CA 3.26Å; D363-P366 WeakPolarHBondContact O-CA 3.02Å; D363-P366 VanDerWaalsContact O-N 3.08Å
364S78.3Confident85.7Confident125 Ų12570.3 Ų70.387%0.87438%0.381SS*.SBendtrans-114.7102.7168.9-69.50000109.5
365P81.2Confident85.9Confident113 Ų11369.4 Ų69.473%0.73438%0.376SS*.SBendcis-78.3156.26.632-36.2000114.7D363 R367D363-P365 CarbonylContact C-O 3.25Å; D363-P365 WeakPolarHBondContact CB-O 3.42Å; D363-P365 CarbonylContact O-C 3.53Å; P365-R367 PolarHBondContact O-N 3.21Å
366P84Confident86.2Confident57 Ų5768 Ų6837%0.3737%0.366SS..  trans-63.3127.8-176.5-22.232.7000113A296 V362 D363 L368 Y489A296-P366 HydrophobicContact CB-CB 3.93Å; V362-P366 HydrophobicContact CG1-CB 3.88Å; V362-P366 HydrophobicContact CG1-CG 4.18Å; D363-P366 VanDerWaalsContact O-CA 3.26Å; D363-P366 WeakPolarHBondContact O-CA 3.02Å; D363-P366 VanDerWaalsContact O-N 3.08Å; P366-L368 PolarHBondContact O-N 3.36Å; P366-Y489 HydrophobicContact CG-CE2 4.48Å
367R88.6Confident86.6Confident110 Ų11063.8 Ų63.842%0.41533%0.33SS..  trans-85.4107.1172.4-174.5178.5170.2-159.1-8.4110.4A296 F297 D354 P365A296-R367 CarbonylContact C-O 3.51Å; A296-R367 WeakPolarHBondContact CA-O 3.49Å; A296-R367 VanDerWaalsContact CB-O 3.26Å; A296-R367 WeakPolarHBondContact CB-O 3.4Å; F297-R367 HydrophobicContact CD2-CB 4.36Å; F297-R367 HydrophobicContact CD2-CG 4Å; F297-R367 HydrophobicContact CE2-CG 4.45Å; F297-R367 PolarHBondContact N-O 3.13Å; D354-R367 IonicContact OD2-CZ 2.84Å; D354-R367 IonicContact OD2-NH1 3.53Å; D354-R367 PolarHBondContact OD2-NH1 2.98Å; D354-R367 IonicContact OD2-NH2 3.62Å; P365-R367 PolarHBondContact O-N 3.21Å
368L90.1Very high87.1Confident32 Ų3259 Ų5917%0.16831%0.313CS..BIsolated β-bridgetrans-68.3144.4-177.3-52.9-174.3000112.4Q294 A296 P366 E431Q294-L368 HydrophobicContact CB-CD1 4.24Å; Q294-L368 HydrophobicContact CB-CD2 3.55Å; Q294-L368 HydrophobicContact CB-CG 4.47Å; Q294-L368 VanDerWaalsContact CD-CD1 3.47Å; Q294-L368 HydrophobicContact CG-CD1 4.24Å; Q294-L368 HydrophobicContact CG-CD2 4.39Å; A296-L368 HydrophobicContact CB-CD2 4.43Å; P366-L368 PolarHBondContact O-N 3.36Å; L368-E431 HydrophobicContact CD1-CG 4.44Å
369V91.3Very high87.9Confident0 Ų050.3 Ų50.30%027%0.273CS..  trans-88.1129173.1-171.30000109.4V295 F297 I352 D373 I375 L420 W432V295-V369 HydrophobicContact CG1-CG2 4.5Å; V295-V369 PolarHBondContact O-N 3.08Å; F297-V369 HydrophobicContact CD1-CG2 4.27Å; F297-V369 HydrophobicContact CD2-CG2 4.06Å; F297-V369 HydrophobicContact CE1-CG2 4.3Å; F297-V369 HydrophobicContact CE2-CG2 4.04Å; F297-V369 HydrophobicContact CG-CG2 4.18Å; F297-V369 HydrophobicContact CZ-CG1 4.46Å; F297-V369 HydrophobicContact CZ-CG2 4.18Å; I352-V369 HydrophobicContact CG2-CG2 4Å; V369-D373 HydrophobicContact CG1-CB 4.14Å; V369-I375 HydrophobicContact CG1-CG2 3.88Å; V369-L420 HydrophobicContact CG1-CD2 3.65Å; V369-W432 HydrophobicContact CB-CB 4.47Å; V369-W432 HydrophobicContact CB-CE3 4.01Å; V369-W432 HydrophobicContact CG1-CE3 3.84Å; V369-W432 HydrophobicContact CG1-CZ3 4.4Å; V369-W432 WeakPolarHBondContact O-CB 3.32Å; V369-W432 PolarHBondContact O-N 3.41Å
370R92.3Very high88.4Confident131 Ų13144.7 Ų44.749%0.49425%0.247SC..BIsolated β-bridgetrans-116.1164.9-176.2-64.5-175.8175.1-163-3.6112G372 D373R370-G372 PolarHBondContact O-N 3.43Å; R370-D373 PolarHBondContact N-OD2 3.14Å; R370-D373 WeakPolarHBondContact O-CB 2.99Å; R370-D373 PolarHBondContact O-N 3.46Å
371H91.1Very high88.9Confident59 Ų5944.8 Ų44.827%0.27325%0.247SC..THydrogen-bonded Turntrans-54.2129.9171.2179.948.4000111.6L420 E421 I422 R425 E430H371-L420 PolarHBondContact ND1-O 3Å; H371-E421 WeakPolarHBondContact ND1-CA 3.38Å; H371-I422 HydrophobicContact CB-CB 4.49Å; H371-I422 HydrophobicContact CB-CD1 4.24Å; H371-I422 HydrophobicContact CB-CG1 4.21Å; H371-I422 PolarHBondContact ND1-N 3.32Å; H371-I422 VanDerWaalsContact ND1-N 3.18Å; H371-R425 PolarHBondContact NE2-NH1 3.17Å; H371-E430 PolarHBondContact N-O 3.27Å
372G90.6Very high89.2Confident35 Ų3544.3 Ų44.336%0.36124%0.244SC..THydrogen-bonded Turntrans92.3-11.1179.100000114.4R370 L420R370-G372 PolarHBondContact O-N 3.43Å; G372-L420 PolarHBondContact N-O 2.94Å
373D93.9Very high89.6Confident48 Ų4845.4 Ų45.426%0.25725%0.252SS..  trans-64.6145.3177.4-74.2-17.9000111.5F297 V369 R370 R419 L420F297-D373 HydrophobicContact CZ-CB 4.41Å; V369-D373 HydrophobicContact CG1-CB 4.14Å; R370-D373 PolarHBondContact N-OD2 3.14Å; R370-D373 WeakPolarHBondContact O-CB 2.99Å; R370-D373 PolarHBondContact O-N 3.46Å; D373-R419 WeakPolarHBondContact O-CA 3.38Å; D373-L420 PolarHBondContact O-N 3.02Å
374I94.8Very high90.2Very high68 Ų6848.2 Ų48.235%0.34926%0.26SS..EExtended strand (participates in β ladder)trans-94.8124.5173.9-57.6175000107.8P355 L417 W418 V444P355-I374 VanDerWaalsContact CD-O 3.26Å; P355-I374 WeakPolarHBondContact CD-O 3.18Å; P355-I374 HydrophobicContact CG-CG2 4.02Å; I374-L417 HydrophobicContact CG2-CB 4.01Å; I374-L417 HydrophobicContact CG2-CD2 4.1Å; I374-L417 HydrophobicContact CG2-CG 4.47Å; I374-W418 CarbonylContact C-O 3.53Å; I374-W418 WeakPolarHBondContact CA-O 3.5Å; I374-V444 HydrophobicContact CG2-CG2 4.2Å
375I95.1Very high90.9Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-123156.2-176.868.1173.2000111F297 I352 V369 L377 W418 W432 L441F297-I375 HydrophobicContact CE1-CG2 3.9Å; F297-I375 HydrophobicContact CZ-CG2 4.37Å; I352-I375 HydrophobicContact CD1-CD1 4.43Å; I352-I375 HydrophobicContact CG2-CB 4.11Å; I352-I375 HydrophobicContact CG2-CD1 4.31Å; I352-I375 HydrophobicContact CG2-CG2 3.99Å; V369-I375 HydrophobicContact CG1-CG2 3.88Å; I375-L377 HydrophobicContact CD1-CD1 4.48Å; I375-L377 HydrophobicContact CD1-CG 4.33Å; I375-W418 HydrophobicContact CG1-CB 4.25Å; I375-W418 WeakPolarHBondContact CG1-O 3.39Å; I375-W418 PolarHBondContact N-O 3.27Å; I375-W418 PolarHBondContact O-N 3.19Å; I375-W432 HydrophobicContact CD1-CH2 4.19Å; I375-W432 HydrophobicContact CD1-CZ3 3.85Å; I375-L441 HydrophobicContact CD1-CD2 3.81Å
376Q94.6Very high91.6Very high21 Ų2138.7 Ų38.710%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-110.5134.7163.2-78.6176.5-11.900108.8K353 P355 L385 N416 L417K353-Q376 HydrophobicContact CB-CB 4.04Å; K353-Q376 PolarHBondContact N-O 3.07Å; K353-Q376 PolarHBondContact O-N 3.18Å; P355-Q376 HydrophobicContact CG-CG 4.25Å; Q376-L385 HydrophobicContact CB-CD2 3.94Å; Q376-L385 HydrophobicContact CG-CD2 4.28Å; Q376-N416 PolarHBondContact NE2-ND2 3.38Å; Q376-N416 PolarHBondContact NE2-OD1 3.42Å; Q376-L417 HydrophobicContact CG-CD2 3.94Å
377L94.8Very high92.1Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-101.7113.6175.4-77.2156.9000108.5L303 W350 I352 I375 L385 L386 L441L303-L377 HydrophobicContact CD1-CD1 4.45Å; L303-L377 HydrophobicContact CD1-CD2 4.05Å; W350-L377 HydrophobicContact CB-CD2 4.09Å; W350-L377 HydrophobicContact CE3-CB 3.93Å; W350-L377 HydrophobicContact CZ3-CB 4.42Å; I352-L377 HydrophobicContact CD1-CD2 3.35Å; I352-L377 HydrophobicContact CD1-CG 4.45Å; I375-L377 HydrophobicContact CD1-CD1 4.48Å; I375-L377 HydrophobicContact CD1-CG 4.33Å; L377-L385 WeakPolarHBondContact O-CA 3.39Å; L377-L386 HydrophobicContact CB-CB 3.77Å; L377-L386 HydrophobicContact CB-CD2 4.15Å; L377-L386 HydrophobicContact CD1-CD2 3.57Å; L377-L386 HydrophobicContact CG-CD2 4.5Å; L377-L386 PolarHBondContact O-N 3.38Å; L377-L441 HydrophobicContact CD1-CD1 3.54Å; L377-L441 HydrophobicContact CD1-CD2 4.22Å; L377-L441 HydrophobicContact CD1-CG 4.47Å
378V94.2Very high92.4Very high7 Ų730.7 Ų30.74%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-103.1125.2178.5-178.60000108.8W350 I351 K353 L360 G380 L385W350-V378 CarbonylContact C-O 3.55Å; W350-V378 WeakPolarHBondContact CA-O 3.41Å; I351-V378 HydrophobicContact CB-CB 4.27Å; I351-V378 PolarHBondContact N-O 3.28Å; I351-V378 PolarHBondContact O-N 3.41Å; K353-V378 HydrophobicContact CB-CG2 4.08Å; K353-V378 HydrophobicContact CD-CG2 4.05Å; L360-V378 HydrophobicContact CD2-CG2 4.2Å; V378-G380 PolarHBondContact O-N 3.25Å; V378-L385 HydrophobicContact CG2-CD2 3.62Å; V378-L385 HydrophobicContact CG2-CG 4.47Å
379H94.2Very high92.4Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-67.3129.6176.5-178.2-122.8000110.7S317 N347 W349 W350 M381 T382 S383 R384S317-H379 PolarHBondContact O-CE1 2.72Å; S317-H379 PolarHBondContact O-NE2 3.15Å; N347-H379 PolarHBondContact O-NE2 3.01Å; W349-H379 PolarHBondContact O-CD2 3.29Å; W350-H379 HydrophobicContact CE3-CB 4.05Å; W350-H379 HydrophobicContact CH2-CB 3.99Å; W350-H379 HydrophobicContact CZ2-CB 4.49Å; W350-H379 HydrophobicContact CZ3-CB 3.75Å; H379-M381 PolarHBondContact O-N 3.04Å; H379-T382 PolarHBondContact ND1-N 3.25Å; H379-T382 PolarHBondContact ND1-OG1 2.79Å; H379-S383 WeakPolarHBondContact O-CA 3.48Å; H379-S383 PolarHBondContact O-N 2.62Å; H379-R384 PolarHBondContact N-O 2.77Å
380G86.9Confident92.3Very high3 Ų336.2 Ų36.23%0.03119%0.185CC..THydrogen-bonded Turntrans-59.8-46.8-170.800000113.8W349 V378W349-G380 PolarHBondContact O-N 2.97Å; V378-G380 PolarHBondContact O-N 3.25Å
381M87.1Confident92.2Very high39 Ų3931.2 Ų31.219%0.19217%0.169CC..THydrogen-bonded Turntrans-83.6-39.7-175.1-67.8-60.4-64.700113.8V346 H379 E499 L502V346-M381 HydrophobicContact CG1-CG 4.02Å; V346-M381 HydrophobicContact CG1-SD 3.62Å; H379-M381 PolarHBondContact O-N 3.04Å; M381-E499 HydrophobicContact CE-CG 4.11Å; M381-E499 HydrophobicContact SD-CG 4.12Å; M381-L502 HydrophobicContact SD-CD1 4.03Å
382T89Confident92.2Very high23 Ų2330.2 Ų30.214%0.14117%0.17CC..THydrogen-bonded Turntrans-98.5-6.3-176.166.50000113.7K319 Q336 H379 R384K319-T382 HydrophobicContact CG-CG2 4.02Å; Q336-T382 VanDerWaalsContact NE2-CG2 3.27Å; Q336-T382 PolarHBondContact NE2-OG1 3.39Å; Q336-T382 VanDerWaalsContact NE2-OG1 3.16Å; Q336-T382 PolarHBondContact OE1-OG1 3.05Å; H379-T382 PolarHBondContact ND1-N 3.25Å; H379-T382 PolarHBondContact ND1-OG1 2.79Å; T382-R384 PolarHBondContact O-N 3.49Å
383S89.8Confident92.2Very high39 Ų3928.5 Ų28.527%0.27315%0.153SC..  trans53.420-175.7-64.10000114.1H379H379-S383 WeakPolarHBondContact O-CA 3.48Å; H379-S383 PolarHBondContact O-N 2.62Å
384R91.9Very high92.1Very high102 Ų10226.6 Ų26.639%0.38514%0.144SC..PPolyproline II helixtrans-83.8147176.7-59.5-46.6-174.9159.9-3.4110.8Q336 H379 T382 Y405Q336-R384 VanDerWaalsContact OE1-CB 3.26Å; H379-R384 PolarHBondContact N-O 2.77Å; T382-R384 PolarHBondContact O-N 3.49Å; R384-Y405 WeakPolarHBondContact CD-O 3.45Å
385L93.9Very high91.9Very high38 Ų3826.9 Ų26.920%0.19914%0.144CC..BIsolated β-bridgetrans-86.6134.5-179.3-74.3153.9000110.1Q376 L377 V378 N387 G404 Y405 N416Q376-L385 HydrophobicContact CB-CD2 3.94Å; Q376-L385 HydrophobicContact CG-CD2 4.28Å; L377-L385 WeakPolarHBondContact O-CA 3.39Å; V378-L385 HydrophobicContact CG2-CD2 3.62Å; V378-L385 HydrophobicContact CG2-CG 4.47Å; L385-N387 PolarHBondContact O-N 2.84Å; L385-G404 WeakPolarHBondContact O-CA 3.4Å; L385-Y405 PolarHBondContact O-N 2.88Å; L385-N416 HydrophobicContact CB-CB 4Å; L385-N416 WeakPolarHBondContact CD1-ND2 3.5Å
386L95.9Very high91.7Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-62.7122.2170.7-172.769000109.5L315 V338 W350 L377 V402 N416 W418 L450L315-L386 HydrophobicContact CD2-CD2 4.35Å; V338-L386 HydrophobicContact CB-CD1 4.43Å; V338-L386 HydrophobicContact CG1-CD1 3.85Å; V338-L386 HydrophobicContact CG2-CD1 4.05Å; W350-L386 HydrophobicContact CH2-CB 4.28Å; W350-L386 HydrophobicContact CH2-CD1 3.88Å; W350-L386 HydrophobicContact CZ3-CB 3.79Å; W350-L386 HydrophobicContact CZ3-CD1 4.25Å; L377-L386 HydrophobicContact CB-CB 3.77Å; L377-L386 HydrophobicContact CB-CD2 4.15Å; L377-L386 HydrophobicContact CD1-CD2 3.57Å; L377-L386 HydrophobicContact CG-CD2 4.5Å; L377-L386 PolarHBondContact O-N 3.38Å; L386-V402 HydrophobicContact CD1-CG1 3.55Å; L386-V402 HydrophobicContact CG-CG1 4.33Å; L386-N416 WeakPolarHBondContact O-CA 3.31Å; L386-W418 HydrophobicContact CD2-CD2 4.46Å; L386-W418 HydrophobicContact CD2-CZ2 4.05Å; L386-W418 HydrophobicContact CG-CZ2 4.02Å; L386-W418 PolarHBondContact O-NE1 3.28Å; L386-L450 HydrophobicContact CD2-CD2 4.23Å
387N94.8Very high91.4Very high0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-132146.5-171.2178.978.6000109.9Q335 L385 H389 V402 S403 Q415Q335-N387 PolarHBondContact OE1-ND2 3.39Å; L385-N387 PolarHBondContact O-N 2.84Å; N387-H389 PolarHBondContact ND2-ND1 3.13Å; N387-H389 VanDerWaalsContact ND2-ND1 3.15Å; N387-V402 WeakPolarHBondContact O-CA 3.43Å; N387-S403 PolarHBondContact N-O 2.9Å; N387-S403 PolarHBondContact O-N 2.95Å; N387-Q415 WeakPolarHBondContact CA-O 3.34Å; N387-Q415 WeakPolarHBondContact OD1-CA 3.45Å; N387-Q415 PolarHBondContact OD1-N 2.8Å; N387-Q415 PolarHBondContact OD1-O 3.3Å
388S93.6Very high91.1Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-136.5151165.9-170.90000108.9E401 Q415 H443 A469S388-E401 WeakPolarHBondContact CA-O 3.27Å; S388-E401 PolarHBondContact OG-O 3.4Å; S388-Q415 PolarHBondContact N-O 3.05Å; S388-Q415 WeakPolarHBondContact O-CB 3.35Å; S388-H443 PolarHBondContact O-CE1 3.41Å; S388-H443 PolarHBondContact O-NE2 2.85Å; S388-A469 WeakPolarHBondContact OG-CB 3.37Å
389H90.9Very high91Very high3 Ų338.7 Ų38.71%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-157.1173-169.153.5-76.7000109.7S333 N387 V391 Q400 E401 S403S333-H389 WeakPolarHBondContact CB-NE2 3.33Å; N387-H389 PolarHBondContact ND2-ND1 3.13Å; N387-H389 VanDerWaalsContact ND2-ND1 3.15Å; H389-V391 VanDerWaalsContact CD2-CB 3.48Å; H389-V391 WeakPolarHBondContact CD2-CB 3.37Å; H389-V391 WeakPolarHBondContact CD2-CG2 3.38Å; H389-V391 WeakPolarHBondContact NE2-CB 3.44Å; H389-V391 PolarHBondContact O-N 3.18Å; H389-Q400 WeakPolarHBondContact O-CB 3.07Å; H389-E401 IonicContact CE1-OE1 3.36Å; H389-E401 PolarHBondContact CE1-OE1 3.25Å; H389-E401 IonicContact NE2-OE1 3.53Å; H389-E401 PolarHBondContact NE2-OE1 2.99Å; H389-S403 PolarHBondContact CE1-OG 3.19Å; H389-S403 VanDerWaalsContact CE1-OG 3.31Å
390D88.7Confident90.9Very high145 Ų14539.7 Ų39.778%0.77521%0.212SC*.EExtended strand (participates in β ladder)trans-80.654.8-174.6-156.532.8000112.6Q400D390-Q400 PolarHBondContact OD1-NE2 3.41Å
391V89.9Confident91.3Very high26 Ų2639.5 Ų39.516%0.15821%0.211CC..EExtended strand (participates in β ladder)trans-119.7135.8170.6168.50000107.2H389 Q400 E401 M412H389-V391 VanDerWaalsContact CD2-CB 3.48Å; H389-V391 WeakPolarHBondContact CD2-CB 3.37Å; H389-V391 WeakPolarHBondContact CD2-CG2 3.38Å; H389-V391 WeakPolarHBondContact NE2-CB 3.44Å; H389-V391 PolarHBondContact O-N 3.18Å; V391-Q400 CarbonylContact O-C 3.52Å; V391-Q400 WeakPolarHBondContact O-CA 3.13Å; V391-E401 HydrophobicContact CB-CB 4.33Å; V391-E401 HydrophobicContact CG1-CB 4.18Å; V391-E401 PolarHBondContact O-N 3.48Å; V391-M412 HydrophobicContact CG2-CE 4.22Å
392A91Very high91.7Very high37 Ų3737.7 Ų37.731%0.30620%0.202SC..EExtended strand (participates in β ladder)trans-70137.2-179.300000111A399A392-A399 WeakPolarHBondContact CA-O 3.37Å
393A92.2Very high91.9Very high0 Ų036.6 Ų36.60%020%0.195CC..  trans-62.6151.5178.400000112.2R330 M395 S396 A399 E466 V468R330-A393 PolarHBondContact NH1-O 3.18Å; A393-M395 PolarHBondContact O-N 3.07Å; A393-S396 WeakPolarHBondContact CB-O 2.97Å; A393-A399 PolarHBondContact N-O 2.95Å; A393-E466 WeakPolarHBondContact CB-OE1 3.42Å; A393-V468 HydrophobicContact CB-CB 4.37Å; A393-V468 HydrophobicContact CB-CG1 3.59Å
394P90.4Very high92.1Very high8 Ų834.8 Ų34.85%0.05218%0.182CC..SBendtrans-60.8-45.1-171.519.4-31.9000113.7Y322 Y326 R330 L457 W460 E466Y322-P394 HydrophobicContact CE1-CG 4.12Å; Y326-P394 HydrophobicContact CD1-CB 3.9Å; Y326-P394 HydrophobicContact CE1-CB 3.62Å; Y326-P394 HydrophobicContact CE1-CG 4.49Å; Y326-P394 HydrophobicContact CE2-CB 4.46Å; Y326-P394 HydrophobicContact CG-CB 4.45Å; R330-P394 PolarHBondContact NH2-O 2.88Å; P394-L457 HydrophobicContact CB-CD2 4.24Å; P394-L457 HydrophobicContact CG-CD2 3.58Å; P394-W460 HydrophobicContact CB-CH2 3.85Å; P394-W460 HydrophobicContact CB-CZ2 3.83Å; P394-W460 HydrophobicContact CG-CH2 4Å; P394-W460 HydrophobicContact CG-CZ2 4.45Å; P394-E466 WeakPolarHBondContact CD-OE1 3.4Å; P394-E466 HydrophobicContact CG-CG 4.27Å; P394-E466 VanDerWaalsContact CG-OE1 3.31Å; P394-E466 WeakPolarHBondContact CG-OE1 3.4Å
395M90.4Very high92.1Very high74 Ų7431.4 Ų31.437%0.36517%0.17SC..SBendtrans-97.8-30.7179.1-53.4-58.3-70.500111.5A393 P397 L455 L457 P458 E466A393-M395 PolarHBondContact O-N 3.07Å; M395-P397 WeakPolarHBondContact O-CD 3.36Å; M395-L455 HydrophobicContact CB-CB 4.11Å; M395-L455 HydrophobicContact CB-CD1 3.91Å; M395-L455 HydrophobicContact CG-CB 4.48Å; M395-L457 HydrophobicContact CG-CD2 4.05Å; M395-P458 HydrophobicContact SD-CG 4.04Å; M395-E466 WeakPolarHBondContact CA-OE1 3.33Å; M395-E466 WeakPolarHBondContact CB-OE2 3.49Å; M395-E466 PolarHBondContact N-OE1 2.93Å
396S90.8Very high91.7Very high22 Ų2230.5 Ų30.515%0.15417%0.165CC..  trans-111.583.4-173.8-56.60000112.2A393 H398 A399 S453 E466A393-S396 WeakPolarHBondContact CB-O 2.97Å; S396-H398 PolarHBondContact O-N 2.78Å; S396-A399 PolarHBondContact O-N 2.78Å; S396-S453 VanDerWaalsContact OG-CB 3.25Å; S396-S453 WeakPolarHBondContact OG-CB 3.29Å; S396-E466 PolarHBondContact N-OE1 2.84Å; S396-E466 PolarHBondContact OG-OE2 3.35Å
397P88.9Confident91Very high68 Ų6835.6 Ų35.644%0.44219%0.193SC..THydrogen-bonded Turntrans-60.3-21.6-172.723.4-34.5000115M395 A399M395-P397 WeakPolarHBondContact O-CD 3.36Å; P397-A399 VanDerWaalsContact C-N 3.31Å
398H88.8Confident90Very high181 Ų18140 Ų4084%0.83821%0.212SC*.THydrogen-bonded Turntrans-80.6-11.4179.9-54.9-60.8000113.5S396S396-H398 PolarHBondContact O-N 2.78Å
399A91.3Very high88.8Confident5 Ų547.5 Ų47.54%0.04125%0.252CS..SBendtrans-111.6162-179.900000111.1A392 A393 S396 P397 V468 E470A392-A399 WeakPolarHBondContact CA-O 3.37Å; A393-A399 PolarHBondContact N-O 2.95Å; S396-A399 PolarHBondContact O-N 2.78Å; P397-A399 VanDerWaalsContact C-N 3.31Å; A399-V468 HydrophobicContact CB-CB 3.79Å; A399-V468 HydrophobicContact CB-CG1 4.33Å; A399-V468 HydrophobicContact CB-CG2 3.88Å; A399-E470 HydrophobicContact CB-CB 4.19Å; A399-E470 HydrophobicContact CB-CG 4.37Å
400Q93.3Very high87.4Confident20 Ų2052.2 Ų52.29%0.09328%0.28CS..EExtended strand (participates in β ladder)trans-84.9141.3178.9-64.4-177.1-39.700111H389 D390 V391 T446 A469H389-Q400 WeakPolarHBondContact O-CB 3.07Å; D390-Q400 PolarHBondContact OD1-NE2 3.41Å; V391-Q400 CarbonylContact O-C 3.52Å; V391-Q400 WeakPolarHBondContact O-CA 3.13Å; Q400-T446 VanDerWaalsContact OE1-CB 3.23Å; Q400-T446 PolarHBondContact OE1-OG1 2.93Å; Q400-A469 HydrophobicContact CB-CB 4.22Å; Q400-A469 WeakPolarHBondContact CB-O 3.44Å; Q400-A469 PolarHBondContact N-O 3.28Å; Q400-A469 PolarHBondContact O-N 3.28Å
401E93.8Very high86.3Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-63.2139.6171.6-171.8-179.468.800110Y322 Y326 S333 S388 H389 V391Y322-E401 HydrophobicContact CD2-CG 4.4Å; Y322-E401 WeakPolarHBondContact CD2-OE2 3.49Å; Y322-E401 HydrophobicContact CE2-CG 4Å; Y322-E401 VanDerWaalsContact CG-OE2 3.27Å; Y326-E401 PolarHBondContact OH-OE2 3.35Å; S333-E401 WeakPolarHBondContact CB-OE1 3.26Å; S333-E401 PolarHBondContact OG-OE1 2.71Å; S388-E401 WeakPolarHBondContact CA-O 3.27Å; S388-E401 PolarHBondContact OG-O 3.4Å; H389-E401 IonicContact CE1-OE1 3.36Å; H389-E401 PolarHBondContact CE1-OE1 3.25Å; H389-E401 IonicContact NE2-OE1 3.53Å; H389-E401 PolarHBondContact NE2-OE1 2.99Å; V391-E401 HydrophobicContact CB-CB 4.33Å; V391-E401 HydrophobicContact CG1-CB 4.18Å; V391-E401 PolarHBondContact O-N 3.48Å
402V95.5Very high85.4Confident0 Ų053.9 Ų53.90%030%0.297CS..EExtended strand (participates in β ladder)trans-114.4129.3172.3177.90000107.7Y322 V338 L386 N387 L450 V467 A469Y322-V402 PolarHBondContact OH-O 3.43Å; Y322-V402 VanDerWaalsContact OH-O 3.11Å; V338-V402 HydrophobicContact CB-CG1 4.28Å; V338-V402 HydrophobicContact CG1-CG1 4.14Å; L386-V402 HydrophobicContact CD1-CG1 3.55Å; L386-V402 HydrophobicContact CG-CG1 4.33Å; N387-V402 WeakPolarHBondContact O-CA 3.43Å; V402-L450 HydrophobicContact CB-CD1 4.35Å; V402-L450 HydrophobicContact CG1-CD1 3.81Å; V402-L450 HydrophobicContact CG2-CD1 3.78Å; V402-V467 HydrophobicContact CB-CG1 4.32Å; V402-V467 HydrophobicContact CG1-CG1 4.28Å; V402-V467 HydrophobicContact CG2-CG1 4.46Å; V402-A469 HydrophobicContact CG2-CB 3.82Å
403S94.9Very high84.9Confident0 Ų055.5 Ų55.50%031%0.311CS..EExtended strand (participates in β ladder)trans-143.7163.2-170.458.50000111.7Q335 Q336 V338 N387 H389Q335-S403 PolarHBondContact OE1-OG 3.22Å; Q336-S403 WeakPolarHBondContact O-CA 3.4Å; V338-S403 VanDerWaalsContact CG2-C 3.44Å; N387-S403 PolarHBondContact N-O 2.9Å; N387-S403 PolarHBondContact O-N 2.95Å; H389-S403 PolarHBondContact CE1-OG 3.19Å; H389-S403 VanDerWaalsContact CE1-OG 3.31Å
404G93.7Very high84.5Confident1 Ų158.6 Ų58.61%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-88.5117.3163.900000108.7Q336 L385 I406Q336-G404 WeakPolarHBondContact CB-O 3.42Å; Q336-G404 PolarHBondContact N-O 3.5Å; Q336-G404 VanDerWaalsContact N-O 3.12Å; Q336-G404 PolarHBondContact O-N 3.49Å; L385-G404 WeakPolarHBondContact O-CA 3.4Å; G404-I406 PolarHBondContact O-N 2.87Å
405Y91.8Very high84.5Confident31 Ų3160.7 Ų60.712%0.12234%0.339CS..  trans-61.2128.3-174.2-177.9-97000111.8R384 L385 D407 M412 T414R384-Y405 WeakPolarHBondContact CD-O 3.45Å; L385-Y405 PolarHBondContact O-N 2.88Å; Y405-D407 HydrophobicContact CE1-CB 3.8Å; Y405-M412 PolarHBondContact OH-O 3.4Å; Y405-M412 VanDerWaalsContact OH-O 3.09Å; Y405-T414 HydrophobicContact CD1-CG2 3.44Å; Y405-T414 VanDerWaalsContact CD1-CG2 3.44Å; Y405-T414 HydrophobicContact CD2-CG2 3.88Å; Y405-T414 HydrophobicContact CE1-CG2 3.15Å; Y405-T414 HydrophobicContact CE2-CG2 3.64Å; Y405-T414 HydrophobicContact CG-CG2 3.78Å
406I85.8Confident84.6Confident20 Ų2057.9 Ų57.910%0.10333%0.325CS..  trans-118.4123.8170.1-58.4174.7000107.1N321 Q336 G404 F408N321-I406 WeakPolarHBondContact OD1-CD1 3.3Å; Q336-I406 HydrophobicContact CB-CD1 4Å; Q336-I406 HydrophobicContact CB-CG1 4.24Å; G404-I406 PolarHBondContact O-N 2.87Å; I406-F408 HydrophobicContact CB-CD2 4.07Å; I406-F408 HydrophobicContact CB-CE2 3.61Å; I406-F408 HydrophobicContact CB-CZ 3.9Å; I406-F408 HydrophobicContact CD1-CE2 4.23Å; I406-F408 HydrophobicContact CD1-CZ 3.93Å; I406-F408 HydrophobicContact CG1-CE2 4.49Å; I406-F408 HydrophobicContact CG2-CD1 4.06Å; I406-F408 HydrophobicContact CG2-CD2 3.97Å; I406-F408 HydrophobicContact CG2-CE1 3.75Å; I406-F408 HydrophobicContact CG2-CE2 3.67Å; I406-F408 HydrophobicContact CG2-CG 4.17Å; I406-F408 HydrophobicContact CG2-CZ 3.55Å; I406-F408 PolarHBondContact O-N 3.41Å; I406-F408 VanDerWaalsContact O-N 3.13Å
407D80.7Confident84.8Confident107 Ų10759.1 Ų59.157%0.57233%0.33SS*.  trans-76.399172.2-168.9-4.2000109.3Y405 N409Y405-D407 HydrophobicContact CE1-CB 3.8Å; D407-N409 VanDerWaalsContact C-N 3.27Å; D407-N409 WeakPolarHBondContact OD1-CA 3.35Å; D407-N409 PolarHBondContact OD1-N 2.96Å
408F74.6Confident85.1Confident93 Ų9355.9 Ų55.941%0.40831%0.309SS..  trans-88.69.1173.2-69.4-70.4000112.6H334 I406 V410H334-F408 WeakPolarHBondContact O-CE2 3.37Å; H334-F408 WeakPolarHBondContact O-CZ 3.27Å; I406-F408 HydrophobicContact CB-CD2 4.07Å; I406-F408 HydrophobicContact CB-CE2 3.61Å; I406-F408 HydrophobicContact CB-CZ 3.9Å; I406-F408 HydrophobicContact CD1-CE2 4.23Å; I406-F408 HydrophobicContact CD1-CZ 3.93Å; I406-F408 HydrophobicContact CG1-CE2 4.49Å; I406-F408 HydrophobicContact CG2-CD1 4.06Å; I406-F408 HydrophobicContact CG2-CD2 3.97Å; I406-F408 HydrophobicContact CG2-CE1 3.75Å; I406-F408 HydrophobicContact CG2-CE2 3.67Å; I406-F408 HydrophobicContact CG2-CG 4.17Å; I406-F408 HydrophobicContact CG2-CZ 3.55Å; I406-F408 PolarHBondContact O-N 3.41Å; I406-F408 VanDerWaalsContact O-N 3.13Å; F408-V410 HydrophobicContact CB-CG2 3.82Å; F408-V410 PolarHBondContact O-N 3.08Å
409N66.5Low85.4Confident157 Ų15752.8 Ų52.884%0.8429%0.29SS*.SBendtrans57.131.8-171.4-159.518.7000112.5D407D407-N409 VanDerWaalsContact C-N 3.27Å; D407-N409 WeakPolarHBondContact OD1-CA 3.35Å; D407-N409 PolarHBondContact OD1-N 2.96Å
410V62.8Low85.4Confident101 Ų10152.5 Ų52.561%0.61229%0.288SS*.SBendtrans-104149.1174.8-176.90000107.2F408 M412F408-V410 HydrophobicContact CB-CG2 3.82Å; F408-V410 PolarHBondContact O-N 3.08Å; V410-M412 PolarHBondContact O-N 2.95Å
411S64.3Low85.3Confident131 Ų13154.4 Ų54.492%0.91630%0.297SS*.SBendtrans-60.312.5-172.457.90000117.2A413S411-A413 PolarHBondContact O-N 3.47Å
412M71.2Confident85Confident75 Ų7554.6 Ų54.637%0.36930%0.298SS..  trans-87.3103177.2-168.1176.5-84.200110V391 Y405 V410V391-M412 HydrophobicContact CG2-CE 4.22Å; Y405-M412 PolarHBondContact OH-O 3.4Å; Y405-M412 VanDerWaalsContact OH-O 3.09Å; V410-M412 PolarHBondContact O-N 2.95Å
413A80.3Confident84.3Confident71 Ų7161.4 Ų61.459%0.58732%0.324SS*.  trans-63.5147.3175.700000111.6S411 Q415S411-A413 PolarHBondContact O-N 3.47Å; A413-Q415 PolarHBondContact O-N 3Å
414T84.4Confident83.4Confident66 Ų6663.1 Ų63.141%0.40533%0.333SS..  trans-63.7130.4174.551.90000111.2Y405Y405-T414 HydrophobicContact CD1-CG2 3.44Å; Y405-T414 VanDerWaalsContact CD1-CG2 3.44Å; Y405-T414 HydrophobicContact CD2-CG2 3.88Å; Y405-T414 HydrophobicContact CE1-CG2 3.15Å; Y405-T414 HydrophobicContact CE2-CG2 3.64Å; Y405-T414 HydrophobicContact CG-CG2 3.78Å
415Q91.4Very high82.3Confident51 Ų5168.5 Ų68.524%0.23835%0.353CS..  trans-125.179.5171.3-60.4-175.519.200108.3N387 S388 A413 H443N387-Q415 WeakPolarHBondContact CA-O 3.34Å; N387-Q415 WeakPolarHBondContact OD1-CA 3.45Å; N387-Q415 PolarHBondContact OD1-N 2.8Å; N387-Q415 PolarHBondContact OD1-O 3.3Å; S388-Q415 PolarHBondContact N-O 3.05Å; S388-Q415 WeakPolarHBondContact O-CB 3.35Å; A413-Q415 PolarHBondContact O-N 3Å; Q415-H443 PolarHBondContact O-NE2 3.14Å
416N92.2Very high80.9Confident15 Ų1575.4 Ų75.48%0.0839%0.387CS..  trans-116.512.1-167.663.3-7.6000113.8Q376 L385 L386Q376-N416 PolarHBondContact NE2-ND2 3.38Å; Q376-N416 PolarHBondContact NE2-OD1 3.42Å; L385-N416 HydrophobicContact CB-CB 4Å; L385-N416 WeakPolarHBondContact CD1-ND2 3.5Å; L386-N416 WeakPolarHBondContact O-CA 3.31Å
417L95.1Very high79.7Confident49 Ų4978.7 Ų78.726%0.25742%0.417SS..  trans-93.3125.4-177.6-61.8-179.4000110.4P355 I374 Q376 V444P355-L417 HydrophobicContact CB-CD2 3.82Å; P355-L417 HydrophobicContact CG-CD2 3.76Å; I374-L417 HydrophobicContact CG2-CB 4.01Å; I374-L417 HydrophobicContact CG2-CD2 4.1Å; I374-L417 HydrophobicContact CG2-CG 4.47Å; Q376-L417 HydrophobicContact CG-CD2 3.94Å; L417-V444 HydrophobicContact CB-CB 3.98Å; L417-V444 HydrophobicContact CB-CG2 3.88Å; L417-V444 WeakPolarHBondContact O-CG2 3.36Å; L417-V444 PolarHBondContact O-N 3.23Å
418W94.8Very high79Confident0 Ų078.4 Ų78.40%041%0.412CS..EExtended strand (participates in β ladder)trans-123.5128.7179.8-62.686.9000109.7I374 I375 L386 L441 V442 H443 L450 A469I374-W418 CarbonylContact C-O 3.53Å; I374-W418 WeakPolarHBondContact CA-O 3.5Å; I375-W418 HydrophobicContact CG1-CB 4.25Å; I375-W418 WeakPolarHBondContact CG1-O 3.39Å; I375-W418 PolarHBondContact N-O 3.27Å; I375-W418 PolarHBondContact O-N 3.19Å; L386-W418 HydrophobicContact CD2-CD2 4.46Å; L386-W418 HydrophobicContact CD2-CZ2 4.05Å; L386-W418 HydrophobicContact CG-CZ2 4.02Å; L386-W418 PolarHBondContact O-NE1 3.28Å; W418-L441 HydrophobicContact CE3-CB 3.87Å; W418-V442 CarbonylContact C-O 3.06Å; W418-V442 WeakPolarHBondContact CA-O 3.47Å; W418-H443 HydrophobicContact CE3-CB 3.94Å; W418-H443 HydrophobicContact CH2-CB 3.98Å; W418-H443 AromaticContact CZ2-CD2 4Å; W418-H443 HydrophobicContact CZ3-CB 3.64Å; W418-L450 HydrophobicContact CH2-CB 4.33Å; W418-L450 HydrophobicContact CH2-CD1 4.01Å; W418-L450 HydrophobicContact CZ3-CB 3.86Å; W418-L450 HydrophobicContact CZ3-CD1 4.38Å; W418-A469 HydrophobicContact CH2-CB 4.38Å
419R94.3Very high79Confident115 Ų11575.5 Ų75.543%0.43440%0.403SS..EExtended strand (participates in β ladder)trans-87.9131171.6-178.5-176.4-62.6-170.9-0.3109.5D373 V442 V444D373-R419 WeakPolarHBondContact O-CA 3.38Å; R419-V442 HydrophobicContact CB-CB 4.35Å; R419-V442 PolarHBondContact N-O 3.25Å; R419-V442 PolarHBondContact O-N 2.89Å; R419-V444 HydrophobicContact CB-CG2 4.27Å
420L92.9Very high79.8Confident0 Ų073.9 Ų73.90%039%0.391CS..EExtended strand (participates in β ladder)trans-84.9120.9177.5-173.774.2000111.5V369 H371 G372 D373 I422 W432 V439 L441V369-L420 HydrophobicContact CG1-CD2 3.65Å; H371-L420 PolarHBondContact ND1-O 3Å; G372-L420 PolarHBondContact N-O 2.94Å; D373-L420 PolarHBondContact O-N 3.02Å; L420-I422 HydrophobicContact CD2-CG1 4.38Å; L420-W432 HydrophobicContact CD1-CD2 4.08Å; L420-W432 HydrophobicContact CD1-CE3 3.92Å; L420-W432 HydrophobicContact CD1-CH2 3.89Å; L420-W432 HydrophobicContact CD1-CZ2 4.06Å; L420-W432 HydrophobicContact CD1-CZ3 3.83Å; L420-W432 HydrophobicContact CD2-CB 4.02Å; L420-W432 HydrophobicContact CD2-CD2 3.67Å; L420-W432 HydrophobicContact CD2-CE3 3.38Å; L420-W432 HydrophobicContact CD2-CG 3.99Å; L420-W432 HydrophobicContact CD2-CZ3 4.02Å; L420-W432 HydrophobicContact CG-CE3 4.31Å; L420-V439 HydrophobicContact CD1-CB 3.69Å; L420-V439 HydrophobicContact CD1-CG1 4.01Å; L420-V439 HydrophobicContact CD1-CG2 3.97Å; L420-L441 HydrophobicContact CD1-CD2 3.89Å
421E90.6Very high81Confident59 Ų5971 Ų7128%0.27637%0.371SS..EExtended strand (participates in β ladder)trans-113.1118.9171-66.6-173.2172.600111.3H371 V439 R440 V442H371-E421 WeakPolarHBondContact ND1-CA 3.38Å; E421-V439 CarbonylContact O-C 3.16Å; E421-V439 VanDerWaalsContact O-CA 3.28Å; E421-V439 WeakPolarHBondContact O-CA 3.39Å; E421-R440 HydrophobicContact CB-CB 4.24Å; E421-R440 PolarHBondContact N-O 3.29Å; E421-R440 PolarHBondContact O-N 3.26Å; E421-R440 IonicContact OE2-NH1 3.74Å; E421-V442 HydrophobicContact CG-CG2 3.91Å
422I87.3Confident82.1Confident4 Ų464.9 Ų64.92%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-92.5120.5177.4-54.1-178.5000108.2H371 L420 N424 R425 E430 W432 V439H371-I422 HydrophobicContact CB-CB 4.49Å; H371-I422 HydrophobicContact CB-CD1 4.24Å; H371-I422 HydrophobicContact CB-CG1 4.21Å; H371-I422 PolarHBondContact ND1-N 3.32Å; H371-I422 VanDerWaalsContact ND1-N 3.18Å; L420-I422 HydrophobicContact CD2-CG1 4.38Å; I422-N424 WeakPolarHBondContact CG2-OD1 3.25Å; I422-R425 HydrophobicContact CG2-CB 4.48Å; I422-E430 WeakPolarHBondContact CD1-O 3.33Å; I422-W432 HydrophobicContact CD1-CB 4.25Å; I422-V439 HydrophobicContact CG1-CG1 4.04Å
423Y79.9Confident82.8Confident143 Ų14362.9 Ų62.956%0.56132%0.317SS*.THydrogen-bonded Turntrans-77.1-44.7-175.3-174.8-118.7000112.5R425 E438Y423-R425 PolarHBondContact O-N 3.4Å; Y423-E438 PolarHBondContact N-O 2.64Å
424N76Confident83Confident36 Ų3659.6 Ų59.619%0.19329%0.289CS..THydrogen-bonded Turntrans-87.329-177.263.5-27.8000114.1I422 E426 A427 E428 V436 S437 E438I422-N424 WeakPolarHBondContact CG2-OD1 3.25Å; N424-E426 VanDerWaalsContact C-N 3.25Å; N424-E426 PolarHBondContact O-N 2.92Å; N424-A427 PolarHBondContact O-N 3.35Å; N424-E428 PolarHBondContact O-N 2.89Å; N424-V436 PolarHBondContact ND2-O 3.36Å; N424-S437 WeakPolarHBondContact OD1-CA 3.35Å; N424-E438 PolarHBondContact OD1-N 3.29Å; N424-E438 VanDerWaalsContact OD1-N 3.08Å
425R70.8Confident82.6Confident114 Ų11457.1 Ų57.143%0.4327%0.273SS..THydrogen-bonded Turntrans-56.8-34.6-175.569.8-173.5-177.6-178.22.4114H371 I422 Y423 A427H371-R425 PolarHBondContact NE2-NH1 3.17Å; I422-R425 HydrophobicContact CG2-CB 4.48Å; Y423-R425 PolarHBondContact O-N 3.4Å; R425-A427 VanDerWaalsContact C-N 3.35Å
426E63.1Low82Confident177 Ų17756.5 Ų56.583%0.82727%0.273SS*.THydrogen-bonded Turntrans-76.2-23.1-175.4-65.9177.3-169.300112.9N424N424-E426 VanDerWaalsContact C-N 3.25Å; N424-E426 PolarHBondContact O-N 2.92Å
427A60.7Low81.6Confident88 Ų8855.9 Ų55.973%0.72727%0.27SS*.THydrogen-bonded Turntrans-95.4-26.3-176.500000113.7N424 R425N424-A427 PolarHBondContact O-N 3.35Å; R425-A427 VanDerWaalsContact C-N 3.35Å
428E65.4Low81.2Confident101 Ų10157.2 Ų57.247%0.47228%0.275SS..SBendtrans-126.7-62.9-165.9-76.9-77.3174.700114.4N424 V436N424-E428 PolarHBondContact O-N 2.89Å; E428-V436 HydrophobicContact CB-CG1 4.18Å; E428-V436 HydrophobicContact CG-CG1 3.5Å; E428-V436 VanDerWaalsContact CG-CG1 3.5Å; E428-V436 WeakPolarHBondContact OE1-CG1 3.35Å; E428-V436 WeakPolarHBondContact OE2-CG1 3.49Å
429S74.6Confident81Confident32 Ų3257.2 Ų57.222%0.22428%0.275CS..  trans179.7162.4177.6-174.90000110.4E431S429-E431 PolarHBondContact OG-N 3.05Å; S429-E431 VanDerWaalsContact OG-N 3.14Å
430E83.9Confident80.8Confident124 Ų12454.4 Ų54.458%0.57926%0.264SS*.SBendtrans-77.6-7.5166.6-62.7-170.9157.100113.5H371 I422H371-E430 PolarHBondContact N-O 3.27Å; I422-E430 WeakPolarHBondContact CD1-O 3.33Å
431E87.8Confident80.7Confident41 Ų4154.4 Ų54.419%0.19226%0.264CS..BIsolated β-bridgetrans-85.6140.3177.5-61.8177.4165.800111.7Q294 L368 S429 K433Q294-E431 PolarHBondContact NE2-OE2 3.28Å; L368-E431 HydrophobicContact CD1-CG 4.44Å; S429-E431 PolarHBondContact OG-N 3.05Å; S429-E431 VanDerWaalsContact OG-N 3.14Å; E431-K433 PolarHBondContact O-N 2.7Å
432W88.6Confident80.8Confident1 Ų152.4 Ų52.40%0.00426%0.256CS..  trans-74.1111.1175.7-167.55.1000111.1V295 L303 I352 V369 I375 L420 I422 V439 V484V295-W432 HydrophobicContact CB-CB 4.18Å; V295-W432 HydrophobicContact CB-CD2 4.08Å; V295-W432 HydrophobicContact CB-CE3 4.2Å; V295-W432 HydrophobicContact CB-CG 4.06Å; V295-W432 HydrophobicContact CG1-CD2 4.11Å; V295-W432 HydrophobicContact CG1-CE3 3.8Å; V295-W432 HydrophobicContact CG1-CZ3 4.21Å; V295-W432 HydrophobicContact CG2-CD2 4.24Å; V295-W432 HydrophobicContact CG2-CG 4.12Å; V295-W432 PolarHBondContact N-O 3.38Å; L303-W432 HydrophobicContact CD2-CH2 4.42Å; L303-W432 HydrophobicContact CD2-CZ2 3.95Å; I352-W432 HydrophobicContact CD1-CH2 3.83Å; I352-W432 HydrophobicContact CD1-CZ3 3.86Å; I352-W432 HydrophobicContact CG1-CH2 4.46Å; I352-W432 HydrophobicContact CG1-CZ3 4.11Å; I352-W432 HydrophobicContact CG2-CZ3 4.39Å; V369-W432 HydrophobicContact CB-CB 4.47Å; V369-W432 HydrophobicContact CB-CE3 4.01Å; V369-W432 HydrophobicContact CG1-CE3 3.84Å; V369-W432 HydrophobicContact CG1-CZ3 4.4Å; V369-W432 WeakPolarHBondContact O-CB 3.32Å; V369-W432 PolarHBondContact O-N 3.41Å; I375-W432 HydrophobicContact CD1-CH2 4.19Å; I375-W432 HydrophobicContact CD1-CZ3 3.85Å; L420-W432 HydrophobicContact CD1-CD2 4.08Å; L420-W432 HydrophobicContact CD1-CE3 3.92Å; L420-W432 HydrophobicContact CD1-CH2 3.89Å; L420-W432 HydrophobicContact CD1-CZ2 4.06Å; L420-W432 HydrophobicContact CD1-CZ3 3.83Å; L420-W432 HydrophobicContact CD2-CB 4.02Å; L420-W432 HydrophobicContact CD2-CD2 3.67Å; L420-W432 HydrophobicContact CD2-CE3 3.38Å; L420-W432 HydrophobicContact CD2-CG 3.99Å; L420-W432 HydrophobicContact CD2-CZ3 4.02Å; L420-W432 HydrophobicContact CG-CE3 4.31Å; I422-W432 HydrophobicContact CD1-CB 4.25Å; W432-V439 HydrophobicContact CD2-CG1 4.39Å; W432-V439 HydrophobicContact CG-CG1 4.23Å; W432-V439 HydrophobicContact CZ2-CG1 4.47Å; W432-V439 HydrophobicContact CZ2-CG2 3.7Å; W432-V439 VanDerWaalsContact NE1-CG1 3.32Å; W432-V484 HydrophobicContact CH2-CG2 4.48Å; W432-V484 HydrophobicContact CZ2-CG2 3.52Å
433K85.2Confident81.2Confident34 Ų3452.2 Ų52.215%0.14826%0.255CS..BIsolated β-bridgetrans-111147.4-179.3-64.6174-178.6173.20112.4L293 E431 V436 S437L293-K433 HydrophobicContact CD2-CD 3.95Å; L293-K433 HydrophobicContact CD2-CG 4.08Å; L293-K433 CarbonylContact O-C 3.59Å; L293-K433 VanDerWaalsContact O-CA 3.25Å; L293-K433 WeakPolarHBondContact O-CA 3.47Å; E431-K433 PolarHBondContact O-N 2.7Å; K433-V436 HydrophobicContact CB-CB 4.5Å; K433-S437 PolarHBondContact N-OG 3.38Å; K433-S437 WeakPolarHBondContact O-CB 3.36Å; K433-S437 PolarHBondContact O-N 3.25Å; K433-S437 PolarHBondContact O-OG 3Å
434T84.3Confident81.8Confident1 Ų148 Ų481%0.00624%0.244CC..THydrogen-bonded Turntrans-69.3139.5177.259.70000112.2P292 L293 V295 V436 V484 H487 R512P292-T434 VanDerWaalsContact O-CG2 3.27Å; P292-T434 WeakPolarHBondContact O-CG2 3.48Å; P292-T434 PolarHBondContact O-OG1 3.44Å; L293-T434 PolarHBondContact O-N 3.29Å; V295-T434 HydrophobicContact CG2-CG2 4.05Å; T434-V436 PolarHBondContact O-N 3.46Å; T434-V484 HydrophobicContact CG2-CG1 3.86Å; T434-H487 HydrophobicContact CG2-CB 3.41Å; T434-H487 VanDerWaalsContact CG2-CB 3.41Å; T434-H487 WeakPolarHBondContact CG2-ND1 3.47Å; T434-R512 PolarHBondContact O-NH1 3.36Å; T434-R512 PolarHBondContact O-NH2 3.35Å
435I76.4Confident82.5Confident14 Ų1450.8 Ų50.87%0.07226%0.259CS..THydrogen-bonded Turntrans62.8-28.8-179.8-56.4165000114.8A275 A278 T288 V484A275-I435 HydrophobicContact CB-CG2 3.83Å; A278-I435 HydrophobicContact CB-CD1 4.38Å; T288-I435 HydrophobicContact CG2-CD1 4.35Å; I435-V484 WeakPolarHBondContact CA-O 3.4Å; I435-V484 PolarHBondContact N-O 3.04Å
436V78.8Confident83.4Confident39 Ų3946.3 Ų46.324%0.23624%0.244CC..THydrogen-bonded Turntrans-90.6-44.8-172.8176.20000111.6N424 E428 K433 T434 E438N424-V436 PolarHBondContact ND2-O 3.36Å; E428-V436 HydrophobicContact CB-CG1 4.18Å; E428-V436 HydrophobicContact CG-CG1 3.5Å; E428-V436 VanDerWaalsContact CG-CG1 3.5Å; E428-V436 WeakPolarHBondContact OE1-CG1 3.35Å; E428-V436 WeakPolarHBondContact OE2-CG1 3.49Å; K433-V436 HydrophobicContact CB-CB 4.5Å; T434-V436 PolarHBondContact O-N 3.46Å; V436-E438 PolarHBondContact O-N 2.95Å
437S83.5Confident84.7Confident1 Ų141.5 Ų41.51%0.00723%0.23CC..  trans-78123.3-176.4-61.30000110.9N424 K433N424-S437 WeakPolarHBondContact OD1-CA 3.35Å; K433-S437 PolarHBondContact N-OG 3.38Å; K433-S437 WeakPolarHBondContact O-CB 3.36Å; K433-S437 PolarHBondContact O-N 3.25Å; K433-S437 PolarHBondContact O-OG 3Å
438E86.5Confident86.1Confident78 Ų7837.3 Ų37.336%0.36420%0.196SC..EExtended strand (participates in β ladder)trans-89.7119.4166-70.4-169.5159.100108.7Y423 N424 V436 T483Y423-E438 PolarHBondContact N-O 2.64Å; N424-E438 PolarHBondContact OD1-N 3.29Å; N424-E438 VanDerWaalsContact OD1-N 3.08Å; V436-E438 PolarHBondContact O-N 2.95Å; E438-T483 HydrophobicContact CG-CG2 3.87Å
439V89.9Confident87.3Confident0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-119.3153.5-174.3-55.40000112.2L420 E421 I422 W432 W482L420-V439 HydrophobicContact CD1-CB 3.69Å; L420-V439 HydrophobicContact CD1-CG1 4.01Å; L420-V439 HydrophobicContact CD1-CG2 3.97Å; E421-V439 CarbonylContact O-C 3.16Å; E421-V439 VanDerWaalsContact O-CA 3.28Å; E421-V439 WeakPolarHBondContact O-CA 3.39Å; I422-V439 HydrophobicContact CG1-CG1 4.04Å; W432-V439 HydrophobicContact CD2-CG1 4.39Å; W432-V439 HydrophobicContact CG-CG1 4.23Å; W432-V439 HydrophobicContact CZ2-CG1 4.47Å; W432-V439 HydrophobicContact CZ2-CG2 3.7Å; W432-V439 VanDerWaalsContact NE1-CG1 3.32Å; V439-W482 HydrophobicContact CG2-CB 4.23Å; V439-W482 WeakPolarHBondContact CG2-O 3.34Å; V439-W482 PolarHBondContact N-O 3.19Å; V439-W482 PolarHBondContact O-N 3.08Å
440R90Very high88.1Confident55 Ų5531.1 Ų31.121%0.20816%0.163CC..EExtended strand (participates in β ladder)trans-119.1144169.3-45.9-177.1-158150.3-6.1108.8E421 V449E421-R440 HydrophobicContact CB-CB 4.24Å; E421-R440 PolarHBondContact N-O 3.29Å; E421-R440 PolarHBondContact O-N 3.26Å; E421-R440 IonicContact OE2-NH1 3.74Å; R440-V449 HydrophobicContact CB-CG1 4.17Å
441L92.4Very high88.4Confident0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-109.5109.8176.9-63.2169.3000107.4L303 I375 L377 W418 L420 L450L303-L441 HydrophobicContact CD1-CD1 4.16Å; I375-L441 HydrophobicContact CD1-CD2 3.81Å; L377-L441 HydrophobicContact CD1-CD1 3.54Å; L377-L441 HydrophobicContact CD1-CD2 4.22Å; L377-L441 HydrophobicContact CD1-CG 4.47Å; W418-L441 HydrophobicContact CE3-CB 3.87Å; L420-L441 HydrophobicContact CD1-CD2 3.89Å; L441-L450 HydrophobicContact CB-CB 4.01Å; L441-L450 HydrophobicContact CB-CD2 4.36Å; L441-L450 HydrophobicContact CD1-CD2 3.69Å; L441-L450 PolarHBondContact O-N 2.9Å
442V92.8Very high88.4Confident17 Ų1725.3 Ų25.310%0.10314%0.136CC..EExtended strand (participates in β ladder)trans-100.8117.9-178.5-173.20000108.8W418 R419 E421 V444 V449W418-V442 CarbonylContact C-O 3.06Å; W418-V442 WeakPolarHBondContact CA-O 3.47Å; R419-V442 HydrophobicContact CB-CB 4.35Å; R419-V442 PolarHBondContact N-O 3.25Å; R419-V442 PolarHBondContact O-N 2.89Å; E421-V442 HydrophobicContact CG-CG2 3.91Å; V442-V444 PolarHBondContact O-N 3.16Å; V442-V449 HydrophobicContact CG1-CG2 4.44Å; V442-V449 HydrophobicContact CG2-CG2 4.06Å
443H94.3Very high88.3Confident0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-64.9122.9177.4-171.5-124.9000110.3S388 Q415 W418 N445 T446 S447 A448S388-H443 PolarHBondContact O-CE1 3.41Å; S388-H443 PolarHBondContact O-NE2 2.85Å; Q415-H443 PolarHBondContact O-NE2 3.14Å; W418-H443 HydrophobicContact CE3-CB 3.94Å; W418-H443 HydrophobicContact CH2-CB 3.98Å; W418-H443 AromaticContact CZ2-CD2 4Å; W418-H443 HydrophobicContact CZ3-CB 3.64Å; H443-N445 PolarHBondContact O-N 3.06Å; H443-T446 PolarHBondContact ND1-N 3.4Å; H443-T446 PolarHBondContact ND1-OG1 3.28Å; H443-S447 WeakPolarHBondContact O-CA 3.45Å; H443-S447 PolarHBondContact O-N 3.19Å; H443-A448 WeakPolarHBondContact CB-O 3.5Å; H443-A448 PolarHBondContact N-O 3.36Å
444V93.1Very high88.2Confident56 Ų5626.8 Ų26.834%0.33916%0.156SC..THydrogen-bonded Turntrans-66.3-40.7-170.5173.80000111.8I374 L417 R419 V442I374-V444 HydrophobicContact CG2-CG2 4.2Å; L417-V444 HydrophobicContact CB-CB 3.98Å; L417-V444 HydrophobicContact CB-CG2 3.88Å; L417-V444 WeakPolarHBondContact O-CG2 3.36Å; L417-V444 PolarHBondContact O-N 3.23Å; R419-V444 HydrophobicContact CB-CG2 4.27Å; V442-V444 PolarHBondContact O-N 3.16Å
445N91.3Very high88.4Confident94 Ų9430.6 Ų30.650%0.50318%0.176SC..THydrogen-bonded Turntrans-74.1-38.9-174.3-67.951.1000112.8H443H443-N445 PolarHBondContact O-N 3.06Å
446T89.3Confident89Confident20 Ų2033.1 Ų33.112%0.12319%0.193CC..THydrogen-bonded Turntrans-108.2-6-173.365.50000113.6Q400 H443 A448 K471Q400-T446 VanDerWaalsContact OE1-CB 3.23Å; Q400-T446 PolarHBondContact OE1-OG1 2.93Å; H443-T446 PolarHBondContact ND1-N 3.4Å; H443-T446 PolarHBondContact ND1-OG1 3.28Å; T446-A448 PolarHBondContact O-N 2.76Å; T446-A448 VanDerWaalsContact O-N 3.12Å; T446-A448 WeakPolarHBondContact OG1-CB 3.21Å; T446-K471 VanDerWaalsContact O-CE 3.28Å; T446-K471 WeakPolarHBondContact O-CE 2.96Å
447S90Very high89.6Confident76 Ų7631.5 Ų31.553%0.53118%0.183SC..  trans56.614.4-171.566.70000114.6H443H443-S447 WeakPolarHBondContact O-CA 3.45Å; H443-S447 PolarHBondContact O-N 3.19Å
448A90.4Very high90.1Very high0 Ų032.8 Ų32.80%019%0.191CC..EExtended strand (participates in β ladder)trans-78.1145.9178.400000110.7H443 T446 A469 E470 K471H443-A448 WeakPolarHBondContact CB-O 3.5Å; H443-A448 PolarHBondContact N-O 3.36Å; T446-A448 PolarHBondContact O-N 2.76Å; T446-A448 VanDerWaalsContact O-N 3.12Å; T446-A448 WeakPolarHBondContact OG1-CB 3.21Å; A448-A469 HydrophobicContact CB-CB 3.79Å; A448-E470 WeakPolarHBondContact CA-O 3.14Å; A448-K471 HydrophobicContact CB-CG 4.4Å
449V91Very high90.3Very high3 Ų334.3 Ų34.32%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-102.8134.2-179-1780000110.2R440 V442 K451 A469 E470 L472 L480R440-V449 HydrophobicContact CB-CG1 4.17Å; V442-V449 HydrophobicContact CG1-CG2 4.44Å; V442-V449 HydrophobicContact CG2-CG2 4.06Å; V449-K451 PolarHBondContact O-N 3.43Å; V449-A469 WeakPolarHBondContact O-CA 3.27Å; V449-E470 PolarHBondContact N-O 3.14Å; V449-E470 PolarHBondContact O-N 3.08Å; V449-E470 VanDerWaalsContact O-N 3.08Å; V449-L472 HydrophobicContact CB-CD1 4.12Å; V449-L472 HydrophobicContact CG2-CD1 3.37Å; V449-L480 HydrophobicContact CG1-CD2 4.45Å
450L91.5Very high90.3Very high0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans-65.3119.9175.4-170.372.9000110.6L315 L386 V402 W418 L441 V467 W482L315-L450 HydrophobicContact CD1-CD2 4.49Å; L315-L450 HydrophobicContact CD2-CD2 4.45Å; L386-L450 HydrophobicContact CD2-CD2 4.23Å; V402-L450 HydrophobicContact CB-CD1 4.35Å; V402-L450 HydrophobicContact CG1-CD1 3.81Å; V402-L450 HydrophobicContact CG2-CD1 3.78Å; W418-L450 HydrophobicContact CH2-CB 4.33Å; W418-L450 HydrophobicContact CH2-CD1 4.01Å; W418-L450 HydrophobicContact CZ3-CB 3.86Å; W418-L450 HydrophobicContact CZ3-CD1 4.38Å; L441-L450 HydrophobicContact CB-CB 4.01Å; L441-L450 HydrophobicContact CB-CD2 4.36Å; L441-L450 HydrophobicContact CD1-CD2 3.69Å; L441-L450 PolarHBondContact O-N 2.9Å; L450-V467 HydrophobicContact CD1-CG1 3.48Å; L450-V467 VanDerWaalsContact CD1-CG1 3.48Å; L450-V467 HydrophobicContact CG-CG1 4.1Å; L450-W482 HydrophobicContact CD2-CZ2 3.96Å; L450-W482 HydrophobicContact CG-CZ2 4.05Å; L450-W482 PolarHBondContact O-NE1 3.27Å
451K88.6Confident90.3Very high34 Ų3434.6 Ų34.615%0.14820%0.203CC..EExtended strand (participates in β ladder)trans-145.9168.1-179.373174-163.9173.40112.4V449 V468 E470 L480V449-K451 PolarHBondContact O-N 3.43Å; K451-V468 HydrophobicContact CD-CG2 4.41Å; K451-V468 HydrophobicContact CG-CG2 3.68Å; K451-V468 PolarHBondContact N-O 3.4Å; K451-V468 PolarHBondContact O-N 3.5Å; K451-V468 VanDerWaalsContact O-O 3.06Å; K451-E470 HydrophobicContact CD-CB 4.07Å; K451-E470 WeakPolarHBondContact CE-OE2 3.27Å; K451-E470 IonicContact NZ-OE1 3.39Å; K451-E470 PolarHBondContact NZ-OE1 3.42Å; K451-E470 IonicContact NZ-OE2 3.38Å; K451-E470 PolarHBondContact NZ-OE2 3.26Å; K451-L480 HydrophobicContact CB-CD2 3.8Å; K451-L480 HydrophobicContact CD-CD2 3.8Å; K451-L480 HydrophobicContact CG-CD2 4.4Å
452L88.6Confident90.3Very high9 Ų940.7 Ų40.75%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-85.8137.8166.3-60.9-178.3000110.3S305 A307 C313 C340 G454 V467 W482S305-L452 VanDerWaalsContact CB-CD1 3.49Å; S305-L452 WeakPolarHBondContact OG-CD1 3.14Å; A307-L452 HydrophobicContact CB-CD1 4.41Å; C313-L452 VanDerWaalsContact SG-CD1 3.52Å; C340-L452 HydrophobicContact CB-CD2 3.45Å; C340-L452 VanDerWaalsContact CB-CD2 3.45Å; L452-G454 VanDerWaalsContact C-N 3.35Å; L452-V467 HydrophobicContact CD2-CG2 3.83Å; L452-W482 HydrophobicContact CD2-CH2 4.05Å; L452-W482 HydrophobicContact CD2-CZ2 4.36Å
453S86.2Confident90.1Very high33 Ų3348.2 Ų48.223%0.23126%0.257CS..EExtended strand (participates in β ladder)trans-77.2-25.1171.673.10000112.8S396 L455 E466S396-S453 VanDerWaalsContact OG-CB 3.25Å; S396-S453 WeakPolarHBondContact OG-CB 3.29Å; S453-L455 VanDerWaalsContact C-N 3.33Å; S453-L455 PolarHBondContact OG-N 3.06Å; S453-E466 WeakPolarHBondContact CB-OE2 3.14Å; S453-E466 PolarHBondContact N-O 3.35Å; S453-E466 VanDerWaalsContact N-O 3.14Å; S453-E466 WeakPolarHBondContact OG-CB 3.41Å; S453-E466 PolarHBondContact OG-OE2 3.45Å
454G83.4Confident90Very high33 Ų3349.1 Ų49.134%0.3426%0.261SS..EExtended strand (participates in β ladder)trans85.43.6-174.300000114L452 M465L452-G454 VanDerWaalsContact C-N 3.35Å; G454-M465 WeakPolarHBondContact O-CE 3.32Å
455L87.8Confident89.9Confident80 Ų8047.7 Ų47.742%0.41925%0.251SS..EExtended strand (participates in β ladder)trans-105.5138.7176-62.1174.7000111.1M395 S453 E466M395-L455 HydrophobicContact CB-CB 4.11Å; M395-L455 HydrophobicContact CB-CD1 3.91Å; M395-L455 HydrophobicContact CG-CB 4.48Å; S453-L455 VanDerWaalsContact C-N 3.33Å; S453-L455 PolarHBondContact OG-N 3.06Å; L455-E466 WeakPolarHBondContact O-CB 3.32Å; L455-E466 PolarHBondContact O-N 2.89Å
456P90.7Very high89.9Confident67 Ų6743.2 Ų43.244%0.43523%0.227SC..EExtended strand (participates in β ladder)trans-75.6147.2170.431.9-33.5000110.7M465P456-M465 HydrophobicContact CB-SD 4.24Å
457L91.3Very high90.1Very high5 Ų542.3 Ų42.33%0.02622%0.221CC..  trans-72.6157.4170.2-65.6177.3000110.9T339 P394 M395 W460 R463 Q464 E466T339-L457 HydrophobicContact CG2-CD1 3.61Å; P394-L457 HydrophobicContact CB-CD2 4.24Å; P394-L457 HydrophobicContact CG-CD2 3.58Å; M395-L457 HydrophobicContact CG-CD2 4.05Å; L457-W460 HydrophobicContact CB-CH2 4.47Å; L457-W460 HydrophobicContact CD1-CH2 4.16Å; L457-W460 HydrophobicContact CD1-CZ3 4.08Å; L457-W460 HydrophobicContact CD2-CH2 3.72Å; L457-W460 HydrophobicContact CD2-CZ2 4.24Å; L457-W460 HydrophobicContact CD2-CZ3 4.46Å; L457-W460 HydrophobicContact CG-CH2 4.35Å; L457-R463 VanDerWaalsContact O-CA 3.3Å; L457-R463 WeakPolarHBondContact O-CA 3.29Å; L457-Q464 WeakPolarHBondContact CB-O 3.48Å; L457-Q464 PolarHBondContact N-O 2.99Å; L457-E466 HydrophobicContact CD2-CB 3.82Å; L457-E466 HydrophobicContact CD2-CG 4.03Å; L457-E466 HydrophobicContact CG-CB 4.19Å
458P92.3Very high90.3Very high28 Ų2838.7 Ų38.718%0.18220%0.196CC..  trans-66.3-175.6172.8-20.133.9000112.8M395 W460 G461 F462 R463M395-P458 HydrophobicContact SD-CG 4.04Å; P458-W460 HydrophobicContact CG-CZ2 4.27Å; P458-W460 PolarHBondContact O-N 2.8Å; P458-W460 VanDerWaalsContact O-N 3.11Å; P458-G461 CarbonylContact O-C 3.49Å; P458-G461 WeakPolarHBondContact O-CA 3.38Å; P458-G461 PolarHBondContact O-N 2.99Å; P458-F462 PolarHBondContact O-N 2.8Å; P458-R463 PolarHBondContact O-N 3.08Å
459D90.9Very high90.4Very high110 Ų11038.7 Ų38.759%0.58820%0.196SC*.G310 helixtrans-57.9-29.9-175.8-68-29.6000113.3G461 F462 R463D459-G461 PolarHBondContact O-N 2.87Å; D459-F462 PolarHBondContact O-N 3.09Å; D459-F462 VanDerWaalsContact O-N 3.1Å; D459-R463 IonicContact OD1-CZ 3.77Å; D459-R463 IonicContact OD1-NE 2.87Å; D459-R463 PolarHBondContact OD1-NE 2.66Å; D459-R463 IonicContact OD1-NH2 3Å; D459-R463 PolarHBondContact OD1-NH2 3.27Å
460W91.5Very high90.3Very high62 Ų6241.4 Ų41.424%0.23521%0.208CC..G310 helixtrans-66-20.2174.661.6-105.8000114.1Y322 P323 Y326 Q337 P394 L457 P458Y322-W460 AromaticContact CD1-CH2 3.61Å; Y322-W460 HydrophobicContact CD1-CH2 3.61Å; Y322-W460 AromaticContact CD1-CZ3 3.48Å; Y322-W460 HydrophobicContact CD1-CZ3 3.48Å; Y322-W460 VanDerWaalsContact CD1-CZ3 3.48Å; Y322-W460 AromaticContact CE1-CH2 3.78Å; Y322-W460 HydrophobicContact CE1-CH2 3.78Å; Y322-W460 AromaticContact CE1-CZ3 3.76Å; Y322-W460 HydrophobicContact CE1-CZ3 3.76Å; P323-W460 HydrophobicContact CG-CD2 4.07Å; P323-W460 HydrophobicContact CG-CE3 4.43Å; P323-W460 HydrophobicContact CG-CG 4.39Å; P323-W460 HydrophobicContact CG-CZ2 4.44Å; Y326-W460 HydrophobicContact CD1-CZ2 4.33Å; Q337-W460 PolarHBondContact NE2-O 3.34Å; Q337-W460 VanDerWaalsContact NE2-O 3.14Å; P394-W460 HydrophobicContact CB-CH2 3.85Å; P394-W460 HydrophobicContact CB-CZ2 3.83Å; P394-W460 HydrophobicContact CG-CH2 4Å; P394-W460 HydrophobicContact CG-CZ2 4.45Å; L457-W460 HydrophobicContact CB-CH2 4.47Å; L457-W460 HydrophobicContact CD1-CH2 4.16Å; L457-W460 HydrophobicContact CD1-CZ3 4.08Å; L457-W460 HydrophobicContact CD2-CH2 3.72Å; L457-W460 HydrophobicContact CD2-CZ2 4.24Å; L457-W460 HydrophobicContact CD2-CZ3 4.46Å; L457-W460 HydrophobicContact CG-CH2 4.35Å; P458-W460 HydrophobicContact CG-CZ2 4.27Å; P458-W460 PolarHBondContact O-N 2.8Å; P458-W460 VanDerWaalsContact O-N 3.11Å
461G89.5Confident90Very high0 Ų047.5 Ų47.50%024%0.235CC..G310 helixtrans-107.120174.900000112.4P458 D459 R463 Q464P458-G461 CarbonylContact O-C 3.49Å; P458-G461 WeakPolarHBondContact O-CA 3.38Å; P458-G461 PolarHBondContact O-N 2.99Å; D459-G461 PolarHBondContact O-N 2.87Å; G461-R463 PolarHBondContact O-N 2.65Å; G461-Q464 WeakPolarHBondContact O-CB 3.31Å; G461-Q464 PolarHBondContact O-N 3Å
462F91.8Very high89Confident127 Ų12750.4 Ų50.456%0.55725%0.251SS*.THydrogen-bonded Turntrans55.126.3176.8-50.2-78.8000114.7H318 A320 P458 D459 Q464H318-F462 AromaticContact CD2-CE2 3.72Å; H318-F462 AromaticContact NE2-CD2 3.67Å; H318-F462 AromaticContact NE2-CE2 3.46Å; H318-F462 WeakPolarHBondContact NE2-CE2 3.45Å; A320-F462 HydrophobicContact CB-CE2 4.14Å; P458-F462 PolarHBondContact O-N 2.8Å; D459-F462 PolarHBondContact O-N 3.09Å; D459-F462 VanDerWaalsContact O-N 3.1Å; F462-Q464 HydrophobicContact CB-CG 4.15Å; F462-Q464 PolarHBondContact O-N 3.19Å; F462-Q464 VanDerWaalsContact O-N 3.14Å
463R89Confident87.8Confident176 Ų17656.7 Ų56.766%0.66428%0.284SS*.THydrogen-bonded Turntrans57.323.5-175.5-54.2-178.3-175.8-175.5-1114.3L457 P458 D459 G461L457-R463 VanDerWaalsContact O-CA 3.3Å; L457-R463 WeakPolarHBondContact O-CA 3.29Å; P458-R463 PolarHBondContact O-N 3.08Å; D459-R463 IonicContact OD1-CZ 3.77Å; D459-R463 IonicContact OD1-NE 2.87Å; D459-R463 PolarHBondContact OD1-NE 2.66Å; D459-R463 IonicContact OD1-NH2 3Å; D459-R463 PolarHBondContact OD1-NH2 3.27Å; G461-R463 PolarHBondContact O-N 2.65Å
464Q91.4Very high86.1Confident19 Ų1965.5 Ų65.59%0.08932%0.318CS..PPolyproline II helixtrans-76.2160.1173.9-61177.9-17.500110.4H318 T339 Y341 L457 G461 F462H318-Q464 PolarHBondContact CE1-OE1 3.29Å; H318-Q464 VanDerWaalsContact CE1-OE1 3.27Å; T339-Q464 VanDerWaalsContact CB-OE1 3.26Å; T339-Q464 HydrophobicContact CG2-CB 4.2Å; T339-Q464 PolarHBondContact OG1-OE1 3.29Å; Y341-Q464 HydrophobicContact CD2-CG 4.01Å; L457-Q464 WeakPolarHBondContact CB-O 3.48Å; L457-Q464 PolarHBondContact N-O 2.99Å; G461-Q464 WeakPolarHBondContact O-CB 3.31Å; G461-Q464 PolarHBondContact O-N 3Å; F462-Q464 HydrophobicContact CB-CG 4.15Å; F462-Q464 PolarHBondContact O-N 3.19Å; F462-Q464 VanDerWaalsContact O-N 3.14Å
465M91.1Very high84.1Confident26 Ų2667.8 Ų67.813%0.12833%0.334CS..EExtended strand (participates in β ladder)trans-76.4140-177.2-62.3-62.3-6600111.3P310 C340 G454 P456P310-M465 HydrophobicContact CG-CE 3.91Å; C340-M465 HydrophobicContact CB-CB 4.05Å; C340-M465 PolarHBondContact N-O 3.25Å; C340-M465 PolarHBondContact O-N 3.01Å; C340-M465 VanDerWaalsContact O-N 3.14Å; G454-M465 WeakPolarHBondContact O-CE 3.32Å; P456-M465 HydrophobicContact CB-SD 4.24Å
466E92.8Very high82.2Confident0 Ų071.7 Ų71.70%035%0.35CS..EExtended strand (participates in β ladder)trans-74.5128.8179.5-178.8-163.7-13600111.4A393 P394 M395 S396 S453 L455 L457 V468A393-E466 WeakPolarHBondContact CB-OE1 3.42Å; P394-E466 WeakPolarHBondContact CD-OE1 3.4Å; P394-E466 HydrophobicContact CG-CG 4.27Å; P394-E466 VanDerWaalsContact CG-OE1 3.31Å; P394-E466 WeakPolarHBondContact CG-OE1 3.4Å; M395-E466 WeakPolarHBondContact CA-OE1 3.33Å; M395-E466 WeakPolarHBondContact CB-OE2 3.49Å; M395-E466 PolarHBondContact N-OE1 2.93Å; S396-E466 PolarHBondContact N-OE1 2.84Å; S396-E466 PolarHBondContact OG-OE2 3.35Å; S453-E466 WeakPolarHBondContact CB-OE2 3.14Å; S453-E466 PolarHBondContact N-O 3.35Å; S453-E466 VanDerWaalsContact N-O 3.14Å; S453-E466 WeakPolarHBondContact OG-CB 3.41Å; S453-E466 PolarHBondContact OG-OE2 3.45Å; L455-E466 WeakPolarHBondContact O-CB 3.32Å; L455-E466 PolarHBondContact O-N 2.89Å; L457-E466 HydrophobicContact CD2-CB 3.82Å; L457-E466 HydrophobicContact CD2-CG 4.03Å; L457-E466 HydrophobicContact CG-CB 4.19Å; E466-V468 VanDerWaalsContact CD-CG1 3.46Å; E466-V468 HydrophobicContact CG-CG1 3.62Å
467V93.3Very high80.2Confident1 Ų173.7 Ų73.71%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-102130.4171.1179.20000108.3L315 C340 V402 L450 L452 W482L315-V467 HydrophobicContact CD1-CG1 4.14Å; L315-V467 HydrophobicContact CD1-CG2 4.15Å; C340-V467 HydrophobicContact CB-CG2 3.81Å; V402-V467 HydrophobicContact CB-CG1 4.32Å; V402-V467 HydrophobicContact CG1-CG1 4.28Å; V402-V467 HydrophobicContact CG2-CG1 4.46Å; L450-V467 HydrophobicContact CD1-CG1 3.48Å; L450-V467 VanDerWaalsContact CD1-CG1 3.48Å; L450-V467 HydrophobicContact CG-CG1 4.1Å; L452-V467 HydrophobicContact CD2-CG2 3.83Å; V467-W482 HydrophobicContact CG1-CZ2 4.47Å; V467-W482 HydrophobicContact CG2-CH2 4.46Å
468V92.9Very high78.3Confident0 Ų076 Ų760%039%0.39CS..EExtended strand (participates in β ladder)trans-134.1159.5-176-56.30000111.2A393 A399 K451 E466A393-V468 HydrophobicContact CB-CB 4.37Å; A393-V468 HydrophobicContact CB-CG1 3.59Å; A399-V468 HydrophobicContact CB-CB 3.79Å; A399-V468 HydrophobicContact CB-CG1 4.33Å; A399-V468 HydrophobicContact CB-CG2 3.88Å; K451-V468 HydrophobicContact CD-CG2 4.41Å; K451-V468 HydrophobicContact CG-CG2 3.68Å; K451-V468 PolarHBondContact N-O 3.4Å; K451-V468 PolarHBondContact O-N 3.5Å; K451-V468 VanDerWaalsContact O-O 3.06Å; E466-V468 VanDerWaalsContact CD-CG1 3.46Å; E466-V468 HydrophobicContact CG-CG1 3.62Å
469A92.6Very high76.5Confident0 Ų076.5 Ų76.50%039%0.394CS..EExtended strand (participates in β ladder)trans-110.2120.6168.300000109.5S388 Q400 V402 W418 A448 V449S388-A469 WeakPolarHBondContact OG-CB 3.37Å; Q400-A469 HydrophobicContact CB-CB 4.22Å; Q400-A469 WeakPolarHBondContact CB-O 3.44Å; Q400-A469 PolarHBondContact N-O 3.28Å; Q400-A469 PolarHBondContact O-N 3.28Å; V402-A469 HydrophobicContact CG2-CB 3.82Å; W418-A469 HydrophobicContact CH2-CB 4.38Å; A448-A469 HydrophobicContact CB-CB 3.79Å; V449-A469 WeakPolarHBondContact O-CA 3.27Å
470E89.6Confident75.3Confident59 Ų5972.4 Ų72.428%0.27637%0.373SS..EExtended strand (participates in β ladder)trans-126.6141-177.9-166.3177.4111.100111.9A399 A448 V449 K451A399-E470 HydrophobicContact CB-CB 4.19Å; A399-E470 HydrophobicContact CB-CG 4.37Å; A448-E470 WeakPolarHBondContact CA-O 3.14Å; V449-E470 PolarHBondContact N-O 3.14Å; V449-E470 PolarHBondContact O-N 3.08Å; V449-E470 VanDerWaalsContact O-N 3.08Å; K451-E470 HydrophobicContact CD-CB 4.07Å; K451-E470 WeakPolarHBondContact CE-OE2 3.27Å; K451-E470 IonicContact NZ-OE1 3.39Å; K451-E470 PolarHBondContact NZ-OE1 3.42Å; K451-E470 IonicContact NZ-OE2 3.38Å; K451-E470 PolarHBondContact NZ-OE2 3.26Å
471K85.2Confident74.6Confident129 Ų12970.1 Ų70.156%0.56137%0.368SS*.EExtended strand (participates in β ladder)trans-69.5136.4174.6-67.4-176.7-178.8178.10110.1T446 A448 L473T446-K471 VanDerWaalsContact O-CE 3.28Å; T446-K471 WeakPolarHBondContact O-CE 2.96Å; A448-K471 HydrophobicContact CB-CG 4.4Å; K471-L473 PolarHBondContact O-N 3.24Å
472L68.1Low74.5Confident95 Ų9570.2 Ų70.250%0.49737%0.369SS..  trans-66.2107-174.5-128.3102.9000111.7V449 L480V449-L472 HydrophobicContact CB-CD1 4.12Å; V449-L472 HydrophobicContact CG2-CD1 3.37Å; L472-L480 HydrophobicContact CD1-CD1 4.2Å
473L61.6Low74.4Confident141 Ų14164.7 Ų64.774%0.73835%0.345SS*.  trans-85.7128.8156.8-70.8166.9000107.5K471 A475K471-L473 PolarHBondContact O-N 3.24Å; L473-A475 PolarHBondContact O-N 3.2Å
474K51Low74.4Confident217 Ų21756.3 Ų56.394%0.94331%0.313SS*.THydrogen-bonded Turntrans-54.76.1-170.1-87.7179.2174177.20117.2
475A40.9Very low73.9Confident82 Ų8255.4 Ų55.468%0.67831%0.309SS*.THydrogen-bonded Turntrans-118.61.1-164.900000117.2L473L473-A475 PolarHBondContact O-N 3.2Å
476H48.1Very low73.5Confident162 Ų16254.8 Ų54.875%0.7531%0.306SS*.  trans-134.492.4-179.1-105.546.7000113.4L480H476-L480 VanDerWaalsContact O-CD1 3.31Å; H476-L480 WeakPolarHBondContact O-CD1 3.18Å
477S49.1Very low73.2Confident109 Ų10954.9 Ų54.976%0.76231%0.306SS*.  trans-94.7-3-17429.10000115.2
478G52Low72.6Confident52 Ų5256 Ų5654%0.53631%0.311SS..SBendtrans-87.1-16.9-170.500000117.6P308P308-G478 WeakPolarHBondContact CD-O 3.07Å
479S54.7Low72.1Confident39 Ų3959.4 Ų59.427%0.27332%0.324SS..SBendtrans-123.217.5-167.5-160.60000114.8
480L65.4Low71.3Confident25 Ų2559.5 Ų59.513%0.13133%0.325CS..  trans-107.2-4.8-166.3-60.9174.6000114.7V449 K451 L472 H476V449-L480 HydrophobicContact CG1-CD2 4.45Å; K451-L480 HydrophobicContact CB-CD2 3.8Å; K451-L480 HydrophobicContact CD-CD2 3.8Å; K451-L480 HydrophobicContact CG-CD2 4.4Å; L472-L480 HydrophobicContact CD1-CD1 4.2Å; H476-L480 VanDerWaalsContact O-CD1 3.31Å; H476-L480 WeakPolarHBondContact O-CD1 3.18Å
481G76.8Confident70.6Confident14 Ų1461.6 Ų61.614%0.14434%0.342CS..  trans-97.9140.8-173.100000113.3S306S306-G481 WeakPolarHBondContact CB-O 3.47Å; S306-G481 PolarHBondContact N-O 3.37Å; S306-G481 PolarHBondContact OG-O 2.9Å
482W87.9Confident70Confident2 Ų256.4 Ų56.41%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-119148.1169.4-62.785.1000109.6L303 R304 L315 V439 L450 L452 V467L303-W482 HydrophobicContact CB-CE3 4.05Å; R304-W482 CarbonylContact O-C 3.49Å; R304-W482 WeakPolarHBondContact O-CA 3.35Å; L315-W482 HydrophobicContact CB-CE3 4.47Å; L315-W482 HydrophobicContact CB-CH2 4.22Å; L315-W482 HydrophobicContact CB-CZ3 3.79Å; L315-W482 HydrophobicContact CD1-CH2 3.99Å; L315-W482 HydrophobicContact CD1-CZ3 4.43Å; V439-W482 HydrophobicContact CG2-CB 4.23Å; V439-W482 WeakPolarHBondContact CG2-O 3.34Å; V439-W482 PolarHBondContact N-O 3.19Å; V439-W482 PolarHBondContact O-N 3.08Å; L450-W482 HydrophobicContact CD2-CZ2 3.96Å; L450-W482 HydrophobicContact CG-CZ2 4.05Å; L450-W482 PolarHBondContact O-NE1 3.27Å; L452-W482 HydrophobicContact CD2-CH2 4.05Å; L452-W482 HydrophobicContact CD2-CZ2 4.36Å; V467-W482 HydrophobicContact CG1-CZ2 4.47Å; V467-W482 HydrophobicContact CG2-CH2 4.46Å
483T88.7Confident69.7Low10 Ų1059.2 Ų59.26%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-128.6142.2175.349.70000109.8R304 S306 E438 E485R304-T483 PolarHBondContact N-O 3.12Å; R304-T483 PolarHBondContact O-N 2.93Å; R304-T483 PolarHBondContact O-OG1 3.43Å; S306-T483 WeakPolarHBondContact OG-CG2 3.29Å; E438-T483 HydrophobicContact CG-CG2 3.87Å; T483-E485 PolarHBondContact O-N 2.98Å
484V88.3Confident70.3Confident0 Ų058.3 Ų58.30%032%0.324CS..EExtended strand (participates in β ladder)trans-80116.5172.6172.10000108.4V295 V301 T302 L303 W432 T434 I435 H487V295-V484 HydrophobicContact CG2-CG2 4.36Å; V301-V484 HydrophobicContact CB-CG1 3.8Å; V301-V484 HydrophobicContact CB-CG2 4.19Å; V301-V484 HydrophobicContact CG1-CG1 3.72Å; V301-V484 HydrophobicContact CG1-CG2 4.27Å; V301-V484 HydrophobicContact CG2-CG2 4.47Å; T302-V484 WeakPolarHBondContact O-CA 3.47Å; L303-V484 HydrophobicContact CD2-CG2 3.7Å; W432-V484 HydrophobicContact CH2-CG2 4.48Å; W432-V484 HydrophobicContact CZ2-CG2 3.52Å; T434-V484 HydrophobicContact CG2-CG1 3.86Å; I435-V484 WeakPolarHBondContact CA-O 3.4Å; I435-V484 PolarHBondContact N-O 3.04Å; V484-H487 HydrophobicContact CG1-CB 4.12Å
485E80.9Confident71.1Confident0 Ų052.3 Ų52.30%030%0.299CS..EExtended strand (participates in β ladder)trans-90-57.7179.9-173.3178143.700111.2L284 Q291 T302 R304 W314 K344 T483L284-E485 HydrophobicContact CD1-CG 4.02Å; L284-E485 WeakPolarHBondContact CD1-OE1 3.25Å; L284-E485 HydrophobicContact CD2-CG 4.11Å; Q291-E485 PolarHBondContact NE2-O 3Å; Q291-E485 PolarHBondContact OE1-O 3.14Å; T302-E485 PolarHBondContact O-N 3.21Å; R304-E485 HydrophobicContact CB-CB 4.45Å; R304-E485 WeakPolarHBondContact CD-OE2 3.5Å; R304-E485 IonicContact NH1-OE2 3.72Å; R304-E485 PolarHBondContact NH1-OE2 2.85Å; W314-E485 VanDerWaalsContact CE2-OE2 3.32Å; W314-E485 VanDerWaalsContact CZ2-OE2 3.3Å; W314-E485 WeakPolarHBondContact CZ2-OE2 3.21Å; W314-E485 PolarHBondContact NE1-OE2 3.25Å; K344-E485 WeakPolarHBondContact CE-OE1 3.35Å; K344-E485 IonicContact NZ-OE1 3.09Å; K344-E485 PolarHBondContact NZ-OE1 3.08Å; T483-E485 PolarHBondContact O-N 2.98Å
486E83.4Confident72.5Confident14 Ų1456.4 Ų56.47%0.06530%0.302CS..EExtended strand (participates in β ladder)trans-108.5142.1177.8-61.2160.114300110.2V287 T288 Q291 V301 T302 K344 W349V287-E486 HydrophobicContact CG1-CG 4.3Å; V287-E486 WeakPolarHBondContact CG1-OE1 3.44Å; T288-E486 HydrophobicContact CG2-CG 4.24Å; Q291-E486 VanDerWaalsContact OE1-CA 3.25Å; V301-E486 CarbonylContact C-O 3.47Å; V301-E486 VanDerWaalsContact CA-O 3.26Å; V301-E486 WeakPolarHBondContact CA-O 3.46Å; T302-E486 HydrophobicContact CG2-CB 4.17Å; T302-E486 WeakPolarHBondContact CG2-OE2 3.12Å; T302-E486 PolarHBondContact N-O 3.06Å; T302-E486 VanDerWaalsContact OG1-CB 3.32Å; T302-E486 WeakPolarHBondContact OG1-CB 3.15Å; T302-E486 PolarHBondContact OG1-N 3.48Å; T302-E486 PolarHBondContact OG1-OE2 3.29Å; K344-E486 IonicContact NZ-OE1 2.79Å; K344-E486 PolarHBondContact NZ-OE1 2.86Å; K344-E486 IonicContact NZ-OE2 2.73Å; W349-E486 HydrophobicContact CH2-CB 3.65Å; W349-E486 HydrophobicContact CZ2-CB 4.02Å; W349-E486 HydrophobicContact CZ3-CB 4.34Å
487H85.6Confident73.7Confident1 Ų153.6 Ų53.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-146.2140.7-176.8176.7-143.3000111.4Q291 P292 Q294 S299 Q300 V301 T434 V484 Y489Q291-H487 HydrophobicContact CB-CB 4.38Å; Q291-H487 VanDerWaalsContact CB-O 3.28Å; Q291-H487 WeakPolarHBondContact CB-O 3.32Å; P292-H487 WeakPolarHBondContact CD-O 3.38Å; P292-H487 VanDerWaalsContact CG-CE1 3.46Å; P292-H487 WeakPolarHBondContact CG-CE1 3.39Å; P292-H487 PolarHBondContact O-ND1 2.66Å; Q294-H487 PolarHBondContact O-CE1 3.02Å; Q294-H487 VanDerWaalsContact O-CE1 3.22Å; S299-H487 WeakPolarHBondContact CB-NE2 3.3Å; S299-H487 PolarHBondContact OG-NE2 3.42Å; Q300-H487 WeakPolarHBondContact O-CA 3.31Å; Q300-H487 PolarHBondContact O-CD2 3.48Å; V301-H487 HydrophobicContact CG1-CB 4.32Å; T434-H487 HydrophobicContact CG2-CB 3.41Å; T434-H487 VanDerWaalsContact CG2-CB 3.41Å; T434-H487 WeakPolarHBondContact CG2-ND1 3.47Å; V484-H487 HydrophobicContact CG1-CB 4.12Å; H487-Y489 AromaticContact CE1-CE1 3.63Å; H487-Y489 AromaticContact NE2-CD1 3.83Å; H487-Y489 AromaticContact NE2-CE1 3.76Å
488R81.3Confident74.7Confident26 Ų2649.3 Ų49.310%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-145.3152168.862-178.673.9-164.75.1110.4Q300 W349 E501 S504Q300-R488 HydrophobicContact CB-CG 3.71Å; Q300-R488 HydrophobicContact CG-CG 4.22Å; Q300-R488 PolarHBondContact N-O 3.22Å; Q300-R488 PolarHBondContact O-N 2.74Å; W349-R488 HydrophobicContact CH2-CG 4.3Å; W349-R488 VanDerWaalsContact CH2-NE 3.32Å; W349-R488 HydrophobicContact CZ3-CG 3.85Å; R488-E501 PolarHBondContact NH1-O 3.06Å; R488-S504 PolarHBondContact NH1-O 3.42Å; R488-S504 PolarHBondContact NH2-O 3.13Å; R488-S504 VanDerWaalsContact NH2-O 3.16Å
489Y82.8Confident75.6Confident71 Ų7149.6 Ų49.628%0.27824%0.244SC..EExtended strand (participates in β ladder)trans-82.2118.5169.5-68.7-40.8000109P292 Q294 A296 S299 V362 P366 H487 T491P292-Y489 HydrophobicContact CB-CD1 4.47Å; P292-Y489 HydrophobicContact CB-CD2 3.96Å; P292-Y489 HydrophobicContact CB-CE1 3.93Å; P292-Y489 HydrophobicContact CB-CE2 3.34Å; P292-Y489 HydrophobicContact CB-CG 4.48Å; P292-Y489 WeakPolarHBondContact CB-OH 3.27Å; P292-Y489 HydrophobicContact CG-CD1 4.11Å; P292-Y489 HydrophobicContact CG-CD2 3.69Å; P292-Y489 HydrophobicContact CG-CE1 4.07Å; P292-Y489 HydrophobicContact CG-CE2 3.64Å; P292-Y489 HydrophobicContact CG-CG 3.93Å; Q294-Y489 PolarHBondContact O-OH 2.71Å; A296-Y489 HydrophobicContact CB-CE1 3.92Å; S299-Y489 WeakPolarHBondContact OG-CD1 3.44Å; V362-Y489 HydrophobicContact CB-CD1 4.39Å; V362-Y489 HydrophobicContact CG1-CD1 3.93Å; V362-Y489 HydrophobicContact CG1-CE1 4.43Å; V362-Y489 HydrophobicContact CG1-CG 4.19Å; V362-Y489 HydrophobicContact CG2-CD1 3.77Å; V362-Y489 HydrophobicContact CG2-CG 4.12Å; P366-Y489 HydrophobicContact CG-CE2 4.48Å; H487-Y489 AromaticContact CE1-CE1 3.63Å; H487-Y489 AromaticContact NE2-CD1 3.83Å; H487-Y489 AromaticContact NE2-CE1 3.76Å; Y489-T491 PolarHBondContact O-N 3.24Å
490G76.8Confident76.2Confident1 Ų150.8 Ų50.81%0.0126%0.256CS..  trans-71.1123.4177.400000110.5G298 V361 V362G298-G490 PolarHBondContact O-N 3.38Å; V361-G490 WeakPolarHBondContact CG1-O 3.09Å; V362-G490 PolarHBondContact N-O 2.56Å
491T74.1Confident76.4Confident104 Ų10450.9 Ų50.964%0.63826%0.256SS*.  trans-105-21.2176.751.90000113.2Y489Y489-T491 PolarHBondContact O-N 3.24Å
492S71.5Confident75.7Confident20 Ų2050.6 Ų50.614%0.1425%0.251CS..  trans-88.8131.6-170.8-46.80000112.4R498 E501S492-R498 WeakPolarHBondContact O-CD 3.29Å; S492-R498 VanDerWaalsContact O-CG 3.31Å; S492-R498 WeakPolarHBondContact O-CG 3.31Å; S492-E501 VanDerWaalsContact CB-OE2 3.24Å; S492-E501 WeakPolarHBondContact CB-OE2 3.37Å; S492-E501 PolarHBondContact OG-OE2 3.23Å
493Q63.5Low74.4Confident154 Ų15456.3 Ų56.372%0.7228%0.277SS*.  trans-87.3-37.3178.6-69.4-175.9-10.600112.4V361V361-Q493 HydrophobicContact CG2-CB 4.5Å; V361-Q493 HydrophobicContact CG2-CG 3.64Å
494E72.4Confident73Confident121 Ų12158.3 Ų58.357%0.56529%0.292SS*.SBendtrans-79.6148.8-176.8-65.8-163.617300112.9E497 R498E494-E497 HydrophobicContact CB-CB 4.36Å; E494-E497 HydrophobicContact CB-CG 4.17Å; E494-R498 WeakPolarHBondContact O-CB 3.47Å; E494-R498 VanDerWaalsContact O-CG 3.28Å; E494-R498 WeakPolarHBondContact O-CG 3.46Å; E494-R498 PolarHBondContact O-N 2.95Å; E494-R498 PolarHBondContact O-NE 2.85Å
495Q69.6Low71.5Confident91 Ų9162.8 Ų62.843%0.42532%0.321SS..Hα-helixtrans-64.4-43-179.7-175.1172.5-1700113E497 R498 E499Q495-E497 VanDerWaalsContact C-N 3.35Å; Q495-E497 PolarHBondContact O-N 2.79Å; Q495-R498 PolarHBondContact O-N 2.7Å; Q495-E499 WeakPolarHBondContact CG-OE1 3.28Å; Q495-E499 PolarHBondContact NE2-OE1 3.26Å; Q495-E499 WeakPolarHBondContact O-CG 3.49Å; Q495-E499 PolarHBondContact O-N 3.31Å
496K69.4Low70.2Confident169 Ų16964.2 Ų64.274%0.73533%0.329SS*.Hα-helixtrans-65.2-38.8-179.5-71.5-178.9178.6176.60112.4E499 A500K496-E499 PolarHBondContact O-N 3.19Å; K496-A500 PolarHBondContact O-N 3.02Å
497E72.8Confident68.4Low102 Ų10271 Ų7148%0.47736%0.361SS..Hα-helixtrans-69-38.9176.4-64.3-177.5158.800111.3E494 Q495 A500 E501E494-E497 HydrophobicContact CB-CB 4.36Å; E494-E497 HydrophobicContact CB-CG 4.17Å; Q495-E497 VanDerWaalsContact C-N 3.35Å; Q495-E497 PolarHBondContact O-N 2.79Å; E497-A500 PolarHBondContact O-N 2.61Å; E497-E501 VanDerWaalsContact O-CB 3.28Å; E497-E501 WeakPolarHBondContact O-CB 3.46Å; E497-E501 PolarHBondContact O-N 3.45Å
498R71.2Confident66.5Low20 Ų2076.7 Ų76.78%0.07539%0.39CS..Hα-helixtrans-63.1-42.6173-73.8-179.4-64.5158.93.7112.5S492 E494 Q495 A500 E501 L502S492-R498 WeakPolarHBondContact O-CD 3.29Å; S492-R498 VanDerWaalsContact O-CG 3.31Å; S492-R498 WeakPolarHBondContact O-CG 3.31Å; E494-R498 WeakPolarHBondContact O-CB 3.47Å; E494-R498 VanDerWaalsContact O-CG 3.28Å; E494-R498 WeakPolarHBondContact O-CG 3.46Å; E494-R498 PolarHBondContact O-N 2.95Å; E494-R498 PolarHBondContact O-NE 2.85Å; Q495-R498 PolarHBondContact O-N 2.7Å; R498-A500 VanDerWaalsContact C-N 3.35Å; R498-E501 PolarHBondContact O-N 2.81Å; R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 WeakPolarHBondContact O-CG 3.35Å; R498-L502 PolarHBondContact O-N 3.2Å
499E70.4Confident64.3Low57 Ų5781.7 Ų81.727%0.26642%0.419SS..Hα-helixtrans-60.5-45.7174.5-71.8172.9-164.900110.5M381 Q495 K496 E501 L502 H503M381-E499 HydrophobicContact CE-CG 4.11Å; M381-E499 HydrophobicContact SD-CG 4.12Å; Q495-E499 WeakPolarHBondContact CG-OE1 3.28Å; Q495-E499 PolarHBondContact NE2-OE1 3.26Å; Q495-E499 WeakPolarHBondContact O-CG 3.49Å; Q495-E499 PolarHBondContact O-N 3.31Å; K496-E499 PolarHBondContact O-N 3.19Å; E499-E501 PolarHBondContact O-N 3.08Å; E499-L502 PolarHBondContact O-N 3.07Å; E499-H503 PolarHBondContact O-CD2 3.3Å; E499-H503 PolarHBondContact O-N 3.27Å; E499-H503 VanDerWaalsContact O-N 3.14Å
500A68.1Low62.4Low64 Ų6483 Ų8353%0.52943%0.43SS..Hα-helixtrans-63.7-38.9175.400000113K496 E497 R498 H503 S504K496-A500 PolarHBondContact O-N 3.02Å; E497-A500 PolarHBondContact O-N 2.61Å; R498-A500 VanDerWaalsContact C-N 3.35Å; A500-H503 PolarHBondContact O-N 3.49Å; A500-S504 PolarHBondContact O-N 3.41Å
501E69.5Low61.1Low28 Ų2888.6 Ų88.613%0.13146%0.459CS..Hα-helixtrans-62.7-45.8175.7-171.4-175.9164.200110.5R488 S492 E497 R498 E499 H503 S504R488-E501 PolarHBondContact NH1-O 3.06Å; S492-E501 VanDerWaalsContact CB-OE2 3.24Å; S492-E501 WeakPolarHBondContact CB-OE2 3.37Å; S492-E501 PolarHBondContact OG-OE2 3.23Å; E497-E501 VanDerWaalsContact O-CB 3.28Å; E497-E501 WeakPolarHBondContact O-CB 3.46Å; E497-E501 PolarHBondContact O-N 3.45Å; R498-E501 PolarHBondContact O-N 2.81Å; E499-E501 PolarHBondContact O-N 3.08Å; E501-H503 PolarHBondContact O-N 2.83Å; E501-S504 WeakPolarHBondContact O-CB 3.34Å; E501-S504 PolarHBondContact O-N 2.92Å; E501-S504 PolarHBondContact O-OG 3.19Å
502L61.5Low60.3Low8 Ų887.1 Ų87.14%0.04244%0.442CS..Hα-helixtrans-60.4-32.2176-72.9172000112.8V346 W349 M381 R498 E499 S504V346-L502 HydrophobicContact CG1-CB 3.94Å; W349-L502 HydrophobicContact CB-CD2 3.59Å; W349-L502 HydrophobicContact CD2-CD2 3.77Å; W349-L502 HydrophobicContact CE3-CD2 4.23Å; W349-L502 HydrophobicContact CG-CD2 3.49Å; W349-L502 VanDerWaalsContact CG-CD2 3.49Å; M381-L502 HydrophobicContact SD-CD1 4.03Å; R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 WeakPolarHBondContact O-CG 3.35Å; R498-L502 PolarHBondContact O-N 3.2Å; E499-L502 PolarHBondContact O-N 3.07Å; L502-S504 VanDerWaalsContact C-N 3.31Å
503H61.1Low59.9Low122 Ų12295.9 Ų95.957%0.56548%0.477SS*.Hα-helixtrans-76.2-15.1173.8-72.1-60.3000113.9E499 A500 E501E499-H503 PolarHBondContact O-CD2 3.3Å; E499-H503 PolarHBondContact O-N 3.27Å; E499-H503 VanDerWaalsContact O-N 3.14Å; A500-H503 PolarHBondContact O-N 3.49Å; E501-H503 PolarHBondContact O-N 2.83Å
504S59.6Low60.5Low52 Ų5290.8 Ų90.836%0.36446%0.455SS..SBendtrans-83.6143.3-179.775.70000112.8R488 A500 E501 L502R488-S504 PolarHBondContact NH1-O 3.42Å; R488-S504 PolarHBondContact NH2-O 3.13Å; R488-S504 VanDerWaalsContact NH2-O 3.16Å; A500-S504 PolarHBondContact O-N 3.41Å; E501-S504 WeakPolarHBondContact O-CB 3.34Å; E501-S504 PolarHBondContact O-N 2.92Å; E501-S504 PolarHBondContact O-OG 3.19Å; L502-S504 VanDerWaalsContact C-N 3.31Å
505P56.8Low61.2Low93 Ų9388.4 Ų88.460%0.60445%0.451SS*.PPolyproline II helixtrans-70.9140178.926.6-31.7000112.2H507P505-H507 PolarHBondContact O-N 3.14Å
506T53.3Low62.2Low30 Ų3086.2 Ų86.218%0.18444%0.44CS..PPolyproline II helixtrans-72.5121.3172.3400000110.3V287V287-T506 PolarHBondContact O-OG1 3.37Å
507H45.8Very low63.2Low156 Ų15685.7 Ų85.772%0.72243%0.434SS*.  trans-130.584.1-175.9-86.8-80000111.9P505P505-H507 PolarHBondContact O-N 3.14Å
508I44.4Very low63.8Low122 Ų12283.3 Ų83.363%0.62643%0.429SS*.  trans-146.3164.8162.3-56.4-179.5000107R289 G290R289-I508 CarbonylContact C-O 3.52Å; R289-I508 WeakPolarHBondContact CB-O 3.25Å; G290-I508 WeakPolarHBondContact CA-O 3.39Å; G290-I508 PolarHBondContact N-O 3.01Å; G290-I508 WeakPolarHBondContact O-CB 3.47Å
509D36.1Very low64.6Low130 Ų13084.1 Ų84.170%0.69543%0.433SS*.  trans-114.6126.3-175.9-76.5-48.5000114.6
510I43.1Very low65.6Low100 Ų10082.6 Ų82.651%0.51343%0.425SS..  trans-148.7127.8159.7-59.2172.2000108.6
511D49.5Very low66.7Low117 Ų11783.4 Ų83.463%0.62642%0.424SS*.  trans-91.1122.5172.3-87.7-23.3000110.8R289R289-D511 IonicContact CZ-OD1 3.48Å; R289-D511 IonicContact NE-OD1 2.86Å; R289-D511 IonicContact NH2-OD1 3.86Å; R289-D511 PolarHBondContact NH2-OD1 3.2Å
512R57Low67.5Low74 Ų7483.8 Ų83.828%0.27943%0.426SS..  trans-98.1122.2171.4-86.5-179.7163.9167.9-9.3111T434T434-R512 PolarHBondContact O-NH1 3.36Å; T434-R512 PolarHBondContact O-NH2 3.35Å
513K63.3Low68.9Low203 Ų20383.4 Ų83.488%0.88342%0.424SS*.  trans-98.9115.5175.2-67.1-177.6-179176.70110.1
514I76.4Confident70.3Confident48 Ų4878.8 Ų78.825%0.24640%0.402CS..  trans-92.7147.7173.1-63173.7000109.6A275 K519A275-I514 HydrophobicContact CB-CD1 3.49Å; A275-I514 VanDerWaalsContact CB-CD1 3.49Å; A275-I514 WeakPolarHBondContact O-CD1 3.27Å; I514-K519 HydrophobicContact CG2-CG 4.18Å
515S86.1Confident71.6Confident70 Ų7084.1 Ų84.149%0.4942%0.415SS..  trans-64.1146.7176.774.50000112W517 S518 K519S515-W517 VanDerWaalsContact C-N 3.26Å; S515-W517 PolarHBondContact O-N 2.97Å; S515-S518 PolarHBondContact O-N 3.19Å; S515-S518 WeakPolarHBondContact OG-CB 3.39Å; S515-S518 PolarHBondContact OG-N 2.97Å; S515-K519 PolarHBondContact O-N 2.91Å
516F89.9Confident73Confident45 Ų4581.8 Ų81.820%0.19740%0.395CS..Hα-helixtrans-57.4-40.8175.3165.2-101.8000112V252 Y256 L259 S518 K519 F520V252-F516 HydrophobicContact CG1-CE1 3.63Å; V252-F516 HydrophobicContact CG1-CZ 3.87Å; Y256-F516 VanDerWaalsContact CA-CE2 3.43Å; Y256-F516 AromaticContact CD2-CD2 3.83Å; Y256-F516 HydrophobicContact CD2-CD2 3.83Å; Y256-F516 AromaticContact CD2-CE2 3.97Å; Y256-F516 HydrophobicContact CD2-CE2 3.97Å; Y256-F516 HydrophobicContact CD2-CG 4.15Å; Y256-F516 HydrophobicContact CD2-CZ 4.4Å; Y256-F516 HydrophobicContact CG-CE2 4.38Å; L259-F516 HydrophobicContact CD1-CD2 4.22Å; L259-F516 HydrophobicContact CD1-CE2 4Å; F516-S518 PolarHBondContact O-N 3.37Å; F516-K519 WeakPolarHBondContact O-CB 3.42Å; F516-K519 PolarHBondContact O-N 3.44Å; F516-F520 HydrophobicContact CE1-CB 4.21Å; F516-F520 HydrophobicContact CE2-CB 4.26Å; F516-F520 HydrophobicContact CZ-CB 4Å; F516-F520 HydrophobicContact CZ-CD2 4.18Å; F516-F520 HydrophobicContact CZ-CG 4.25Å; F516-F520 WeakPolarHBondContact O-CB 3.39Å; F516-F520 PolarHBondContact O-N 2.98Å
517W90.6Very high74.6Confident158 Ų15881.4 Ų81.460%0.59839%0.391SS*.Hα-helixtrans-61.8-41.7-178.2-70.3108.1000112.6V252 S515 K519 F520 T521V252-W517 HydrophobicContact CG1-CH2 4.15Å; V252-W517 HydrophobicContact CG1-CZ3 4.38Å; S515-W517 VanDerWaalsContact C-N 3.26Å; S515-W517 PolarHBondContact O-N 2.97Å; W517-K519 PolarHBondContact O-N 3.35Å; W517-F520 HydrophobicContact CE3-CD1 4.26Å; W517-F520 HydrophobicContact CZ3-CD1 4.39Å; W517-F520 PolarHBondContact O-N 3.19Å; W517-T521 WeakPolarHBondContact O-CG2 3.41Å; W517-T521 PolarHBondContact O-N 3.46Å; W517-T521 PolarHBondContact O-OG1 3.01Å
518S85.9Confident76.4Confident53 Ų5379.7 Ų79.737%0.37139%0.387SS..Hα-helixtrans-61.4-45.1175-174.20000111.3S515 F516 T521 E522S515-S518 PolarHBondContact O-N 3.19Å; S515-S518 WeakPolarHBondContact OG-CB 3.39Å; S515-S518 PolarHBondContact OG-N 2.97Å; F516-S518 PolarHBondContact O-N 3.37Å; S518-T521 PolarHBondContact O-OG1 3.24Å; S518-T521 VanDerWaalsContact O-OG1 3.14Å; S518-E522 VanDerWaalsContact O-CB 3.24Å; S518-E522 WeakPolarHBondContact O-CB 3.41Å; S518-E522 PolarHBondContact O-N 3.44Å; S518-E522 VanDerWaalsContact O-N 3.08Å
519K87.8Confident78.1Confident37 Ų3776.1 Ų76.116%0.16137%0.371CS..Hα-helixtrans-62.3-43.8176.8-67.4-173.1176.8-163.30111.9L259 F276 S279 I514 S515 F516 W517 L523L259-K519 HydrophobicContact CD1-CB 3.88Å; F276-K519 HydrophobicContact CD2-CB 3.98Å; F276-K519 HydrophobicContact CD2-CG 3.83Å; F276-K519 HydrophobicContact CE2-CB 3.55Å; F276-K519 HydrophobicContact CE2-CD 4.3Å; F276-K519 HydrophobicContact CE2-CG 3.77Å; F276-K519 HydrophobicContact CZ-CB 4.45Å; S279-K519 WeakPolarHBondContact OG-CE 3.48Å; S279-K519 PolarHBondContact OG-NZ 3.21Å; I514-K519 HydrophobicContact CG2-CG 4.18Å; S515-K519 PolarHBondContact O-N 2.91Å; F516-K519 WeakPolarHBondContact O-CB 3.42Å; F516-K519 PolarHBondContact O-N 3.44Å; W517-K519 PolarHBondContact O-N 3.35Å; K519-L523 VanDerWaalsContact O-CB 3.27Å; K519-L523 WeakPolarHBondContact O-CB 3.1Å; K519-L523 PolarHBondContact O-N 2.86Å
520F92.3Very high79.8Confident24 Ų2472.3 Ų72.311%0.10535%0.352CS..Hα-helixtrans-63.6-51.7-179.7173-101.7000111.4Y251 V252 F255 F516 W517 E522 L523 Q524Y251-F520 HydrophobicContact CD1-CZ 4.36Å; Y251-F520 HydrophobicContact CE1-CE2 4.35Å; Y251-F520 HydrophobicContact CE1-CZ 4.12Å; V252-F520 HydrophobicContact CG2-CZ 4.14Å; F255-F520 HydrophobicContact CB-CD2 3.63Å; F255-F520 HydrophobicContact CB-CE2 3.76Å; F255-F520 HydrophobicContact CD1-CD2 4.28Å; F255-F520 HydrophobicContact CD1-CE2 4.33Å; F255-F520 HydrophobicContact CD2-CD2 4.43Å; F255-F520 AromaticContact CD2-CE2 3.78Å; F255-F520 HydrophobicContact CD2-CE2 3.78Å; F255-F520 HydrophobicContact CE2-CE2 4.5Å; F255-F520 AromaticContact CG-CD2 3.86Å; F255-F520 HydrophobicContact CG-CD2 3.86Å; F255-F520 AromaticContact CG-CE2 3.68Å; F255-F520 HydrophobicContact CG-CE2 3.68Å; F516-F520 HydrophobicContact CE1-CB 4.21Å; F516-F520 HydrophobicContact CE2-CB 4.26Å; F516-F520 HydrophobicContact CZ-CB 4Å; F516-F520 HydrophobicContact CZ-CD2 4.18Å; F516-F520 HydrophobicContact CZ-CG 4.25Å; F516-F520 WeakPolarHBondContact O-CB 3.39Å; F516-F520 PolarHBondContact O-N 2.98Å; W517-F520 HydrophobicContact CE3-CD1 4.26Å; W517-F520 HydrophobicContact CZ3-CD1 4.39Å; W517-F520 PolarHBondContact O-N 3.19Å; F520-E522 VanDerWaalsContact C-N 3.32Å; F520-E522 PolarHBondContact O-N 2.87Å; F520-L523 PolarHBondContact O-N 2.92Å; F520-Q524 HydrophobicContact CD1-CG 4.36Å; F520-Q524 HydrophobicContact CD2-CG 4.14Å; F520-Q524 HydrophobicContact CE1-CG 4.03Å; F520-Q524 HydrophobicContact CE2-CG 3.81Å; F520-Q524 VanDerWaalsContact CE2-NE2 3.3Å; F520-Q524 HydrophobicContact CG-CG 4.42Å; F520-Q524 HydrophobicContact CZ-CG 3.75Å; F520-Q524 WeakPolarHBondContact O-CB 3.36Å; F520-Q524 WeakPolarHBondContact O-CG 3.28Å; F520-Q524 PolarHBondContact O-N 2.99Å
521T90.1Very high80.8Confident82 Ų8276 Ų7650%0.50336%0.364SS..Hα-helixtrans-63.8-39.3-178.652.20000112W517 S518 W525W517-T521 WeakPolarHBondContact O-CG2 3.41Å; W517-T521 PolarHBondContact O-N 3.46Å; W517-T521 PolarHBondContact O-OG1 3.01Å; S518-T521 PolarHBondContact O-OG1 3.24Å; S518-T521 VanDerWaalsContact O-OG1 3.14Å; T521-W525 WeakPolarHBondContact O-CB 3.1Å; T521-W525 PolarHBondContact O-N 2.94Å
522E87.8Confident81.4Confident35 Ų3575.6 Ų75.616%0.16436%0.359CS..Hα-helixtrans-64.7-48.3177.4-171.6-178.5163.500111.5M272 S273 S518 F520 Q524 W525 K526M272-E522 WeakPolarHBondContact CA-OE1 3.5Å; M272-E522 HydrophobicContact SD-CG 4.03Å; S273-E522 WeakPolarHBondContact CA-OE1 3.47Å; S273-E522 WeakPolarHBondContact CB-OE1 3.31Å; S273-E522 PolarHBondContact N-OE1 3.47Å; S273-E522 VanDerWaalsContact OG-CD 3.31Å; S273-E522 PolarHBondContact OG-OE1 3.43Å; S273-E522 VanDerWaalsContact OG-OE1 3.08Å; S273-E522 PolarHBondContact OG-OE2 3.25Å; S518-E522 VanDerWaalsContact O-CB 3.24Å; S518-E522 WeakPolarHBondContact O-CB 3.41Å; S518-E522 PolarHBondContact O-N 3.44Å; S518-E522 VanDerWaalsContact O-N 3.08Å; F520-E522 VanDerWaalsContact C-N 3.32Å; F520-E522 PolarHBondContact O-N 2.87Å; E522-Q524 PolarHBondContact O-N 3.06Å; E522-W525 PolarHBondContact O-N 2.78Å; E522-K526 VanDerWaalsContact O-CG 3.27Å; E522-K526 WeakPolarHBondContact O-CG 3.32Å; E522-K526 PolarHBondContact O-N 3Å
523L90.1Very high81.3Confident1 Ų181.6 Ų81.61%0.00539%0.39CS..Hα-helixtrans-59.3-46.9177177.959.8000111.4F58 I60 F255 L259 M272 K519 F520 W525 K526 M527F58-L523 HydrophobicContact CE2-CD1 4.43Å; F58-L523 HydrophobicContact CZ-CD1 4.12Å; I60-L523 HydrophobicContact CG1-CD1 4.15Å; F255-L523 HydrophobicContact CD1-CD2 3.81Å; F255-L523 HydrophobicContact CE1-CD2 3.89Å; F255-L523 HydrophobicContact CE1-CG 4.38Å; L259-L523 HydrophobicContact CD2-CD2 4.05Å; L259-L523 HydrophobicContact CG-CD2 4.42Å; M272-L523 HydrophobicContact CE-CD1 4.01Å; K519-L523 VanDerWaalsContact O-CB 3.27Å; K519-L523 WeakPolarHBondContact O-CB 3.1Å; K519-L523 PolarHBondContact O-N 2.86Å; F520-L523 PolarHBondContact O-N 2.92Å; L523-W525 VanDerWaalsContact C-N 3.35Å; L523-W525 PolarHBondContact O-N 3.29Å; L523-K526 PolarHBondContact O-N 3.38Å; L523-M527 HydrophobicContact CD1-CG 4.13Å; L523-M527 HydrophobicContact CD1-SD 4.21Å; L523-M527 HydrophobicContact CG-CG 4.41Å; L523-M527 HydrophobicContact CG-SD 4.02Å; L523-M527 VanDerWaalsContact O-CG 3.3Å; L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.85Å
524Q90.6Very high81Confident24 Ų2475.8 Ų75.811%0.11237%0.366CS..Hα-helixtrans-58.1-46.7178.1-73.1-67.8-16.600112.1Y201 Y251 F520 E522 K526 M527 L528Y201-Q524 PolarHBondContact OH-OE1 3.31Å; Y251-Q524 PolarHBondContact OH-NE2 3.3Å; Y251-Q524 PolarHBondContact OH-OE1 3.06Å; F520-Q524 HydrophobicContact CD1-CG 4.36Å; F520-Q524 HydrophobicContact CD2-CG 4.14Å; F520-Q524 HydrophobicContact CE1-CG 4.03Å; F520-Q524 HydrophobicContact CE2-CG 3.81Å; F520-Q524 VanDerWaalsContact CE2-NE2 3.3Å; F520-Q524 HydrophobicContact CG-CG 4.42Å; F520-Q524 HydrophobicContact CZ-CG 3.75Å; F520-Q524 WeakPolarHBondContact O-CB 3.36Å; F520-Q524 WeakPolarHBondContact O-CG 3.28Å; F520-Q524 PolarHBondContact O-N 2.99Å; E522-Q524 PolarHBondContact O-N 3.06Å; Q524-K526 VanDerWaalsContact C-N 3.31Å; Q524-K526 PolarHBondContact O-N 3Å; Q524-M527 PolarHBondContact O-N 3.03Å; Q524-L528 WeakPolarHBondContact O-CG 3.25Å; Q524-L528 PolarHBondContact O-N 3.47Å
525W86.9Confident80.2Confident165 Ų16578.4 Ų78.463%0.62539%0.388SS*.Hα-helixtrans-61.2-42.5178-173.1-98000111.5T521 E522 L523 L528 T529T521-W525 WeakPolarHBondContact O-CB 3.1Å; T521-W525 PolarHBondContact O-N 2.94Å; E522-W525 PolarHBondContact O-N 2.78Å; L523-W525 VanDerWaalsContact C-N 3.35Å; L523-W525 PolarHBondContact O-N 3.29Å; W525-L528 PolarHBondContact O-N 2.87Å; W525-T529 HydrophobicContact CD2-CG2 4.07Å; W525-T529 HydrophobicContact CG-CG2 4.36Å; W525-T529 HydrophobicContact CZ2-CG2 4.01Å; W525-T529 WeakPolarHBondContact O-CB 3.36Å; W525-T529 WeakPolarHBondContact O-CG2 3.19Å; W525-T529 PolarHBondContact O-N 3.36Å; W525-T529 PolarHBondContact O-OG1 3.47Å
526K85.9Confident79.4Confident44 Ų4483.8 Ų83.819%0.19141%0.406CS..Hα-helixtrans-67-42179.1-68.1-73.7178.7165.90112.2L271 M272 E522 L523 Q524 L528 T529 V530L271-K526 WeakPolarHBondContact O-CE 3.38Å; L271-K526 PolarHBondContact O-NZ 3.09Å; M272-K526 HydrophobicContact CE-CB 3.57Å; M272-K526 HydrophobicContact CE-CG 3.57Å; M272-K526 HydrophobicContact SD-CG 4.24Å; E522-K526 VanDerWaalsContact O-CG 3.27Å; E522-K526 WeakPolarHBondContact O-CG 3.32Å; E522-K526 PolarHBondContact O-N 3Å; L523-K526 PolarHBondContact O-N 3.38Å; Q524-K526 VanDerWaalsContact C-N 3.31Å; Q524-K526 PolarHBondContact O-N 3Å; K526-L528 PolarHBondContact O-N 2.85Å; K526-T529 PolarHBondContact O-N 2.95Å; K526-V530 HydrophobicContact CB-CG2 4.17Å; K526-V530 HydrophobicContact CD-CG2 3.86Å; K526-V530 VanDerWaalsContact O-CB 3.27Å; K526-V530 WeakPolarHBondContact O-CB 3.11Å; K526-V530 VanDerWaalsContact O-CG2 3.29Å; K526-V530 WeakPolarHBondContact O-CG2 3.43Å; K526-V530 PolarHBondContact O-N 2.82Å
527M87Confident78.9Confident21 Ų2184.7 Ų84.710%0.10341%0.411CS..Hα-helixtrans-60.2-29.8174.9-69.8176.27800113I60 D61 G64 Y201 F255 L523 Q524I60-M527 HydrophobicContact CG2-CG 4.11Å; D61-M527 WeakPolarHBondContact O-CE 3.39Å; G64-M527 WeakPolarHBondContact O-CE 3.38Å; Y201-M527 HydrophobicContact CE2-CE 4.31Å; F255-M527 HydrophobicContact CE1-SD 3.77Å; F255-M527 HydrophobicContact CZ-CE 4.36Å; F255-M527 HydrophobicContact CZ-SD 3.98Å; L523-M527 HydrophobicContact CD1-CG 4.13Å; L523-M527 HydrophobicContact CD1-SD 4.21Å; L523-M527 HydrophobicContact CG-CG 4.41Å; L523-M527 HydrophobicContact CG-SD 4.02Å; L523-M527 VanDerWaalsContact O-CG 3.3Å; L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.85Å; Q524-M527 PolarHBondContact O-N 3.03Å
528L84.1Confident78.6Confident120 Ų12084 Ų8463%0.62841%0.412SS*.Hα-helixtrans-90.6-23.3179.6-66.3173.8000114.1Q524 W525 K526Q524-L528 WeakPolarHBondContact O-CG 3.25Å; Q524-L528 PolarHBondContact O-N 3.47Å; W525-L528 PolarHBondContact O-N 2.87Å; K526-L528 PolarHBondContact O-N 2.85Å
529T79.1Confident78.6Confident48 Ų4883.2 Ų83.229%0.29440%0.401SS..Hα-helixtrans-112.3-25.9-170580000114.8W525 K526 K531W525-T529 HydrophobicContact CD2-CG2 4.07Å; W525-T529 HydrophobicContact CG-CG2 4.36Å; W525-T529 HydrophobicContact CZ2-CG2 4.01Å; W525-T529 WeakPolarHBondContact O-CB 3.36Å; W525-T529 WeakPolarHBondContact O-CG2 3.19Å; W525-T529 PolarHBondContact O-N 3.36Å; W525-T529 PolarHBondContact O-OG1 3.47Å; K526-T529 PolarHBondContact O-N 2.95Å; T529-K531 PolarHBondContact O-N 3.28Å; T529-K531 VanDerWaalsContact O-N 3.15Å
530V72.7Confident78.7Confident50 Ų5083.6 Ų83.630%0.30341%0.408SS..  trans-73.5108.4176.5176.50000107.4L271 K526L271-V530 HydrophobicContact CD1-CG1 4.41Å; K526-V530 HydrophobicContact CB-CG2 4.17Å; K526-V530 HydrophobicContact CD-CG2 3.86Å; K526-V530 VanDerWaalsContact O-CB 3.27Å; K526-V530 WeakPolarHBondContact O-CB 3.11Å; K526-V530 VanDerWaalsContact O-CG2 3.29Å; K526-V530 WeakPolarHBondContact O-CG2 3.43Å; K526-V530 PolarHBondContact O-N 2.82Å
531K64.1Low78.6Confident176 Ų17682.9 Ų82.977%0.76541%0.406SS*.  trans-93.2114.6167-64.9-170.6174.5-166.10107T529T529-K531 PolarHBondContact O-N 3.28Å; T529-K531 VanDerWaalsContact O-N 3.15Å
532Q61.1Low78.7Confident110 Ų11081 Ų8151%0.51440%0.399SS..  trans-70.5143.2164.2-105.9170.4-14.700108.3E534Q532-E534 VanDerWaalsContact C-N 3.32Å; Q532-E534 PolarHBondContact O-N 2.81Å
533E55.7Low78.9Confident199 Ų19980.2 Ų80.293%0.9340%0.397SS*.  trans-65.997170.5-74.3-17816800107.7S535E533-S535 PolarHBondContact O-N 2.98Å
534E56.4Low79.1Confident82 Ų8285.6 Ų85.638%0.38343%0.425SS..  trans-75.9108.9179.1-67.5178.5-159.800108.7Q532 E536 T634Q532-E534 VanDerWaalsContact C-N 3.32Å; Q532-E534 PolarHBondContact O-N 2.81Å; E534-E536 PolarHBondContact O-N 3.22Å; E534-T634 HydrophobicContact CB-CG2 3.9Å; E534-T634 WeakPolarHBondContact OE2-CA 3.33Å; E534-T634 VanDerWaalsContact OE2-CB 3.23Å; E534-T634 WeakPolarHBondContact OE2-CB 3.44Å; E534-T634 WeakPolarHBondContact OE2-CG2 3.46Å; E534-T634 PolarHBondContact OE2-N 3.04Å; E534-T634 PolarHBondContact OE2-OG1 2.88Å
535S59.6Low79.2Confident102 Ų10287.3 Ų87.371%0.71343%0.433SS*.PPolyproline II helixtrans-64.5132.1167.357.70000109.4E533 H537E533-S535 PolarHBondContact O-N 2.98Å; S535-H537 PolarHBondContact O-N 2.9Å; S535-H537 VanDerWaalsContact O-N 3.14Å
536E68.9Low79.5Confident184 Ų18479.4 Ų79.486%0.8640%0.403SS*.PPolyproline II helixtrans-54.5121.2174.8-72.3-173167.100110.6E534E534-E536 PolarHBondContact O-N 3.22Å
537H80.7Confident79.9Confident63 Ų6380 Ų8029%0.29241%0.408SS..PPolyproline II helixtrans-93136.6-179.3-171.1-80.1000110F41 S535 Y539 S540 F636F41-H537 AromaticContact CE2-CE1 3.48Å; F41-H537 VanDerWaalsContact CE2-CE1 3.48Å; F41-H537 WeakPolarHBondContact CE2-CE1 3.36Å; F41-H537 AromaticContact CE2-NE2 3.77Å; F41-H537 AromaticContact CZ-CE1 3.65Å; F41-H537 AromaticContact CZ-NE2 3.97Å; S535-H537 PolarHBondContact O-N 2.9Å; S535-H537 VanDerWaalsContact O-N 3.14Å; H537-Y539 VanDerWaalsContact C-N 3.25Å; H537-Y539 AromaticContact CE1-CD2 3.74Å; H537-Y539 PolarHBondContact ND1-N 3.07Å; H537-Y539 VanDerWaalsContact ND1-N 3.2Å; H537-Y539 PolarHBondContact O-N 3.12Å; H537-S540 VanDerWaalsContact O-CB 3.24Å; H537-S540 WeakPolarHBondContact O-CB 3.36Å; H537-S540 PolarHBondContact O-N 3.02Å; H537-S540 PolarHBondContact O-OG 2.71Å; H537-F636 HydrophobicContact CB-CE1 4.28Å; H537-F636 HydrophobicContact CB-CZ 4.05Å; H537-F636 AromaticContact ND1-CE1 3.84Å
538K84.6Confident80Confident145 Ų14580.6 Ų80.663%0.6342%0.417SS*.THydrogen-bonded Turntrans-50.6-40.7-176.7-177.4-175.9174.1-154.40114.3S540 D715K538-S540 VanDerWaalsContact C-N 3.33Å; K538-D715 WeakPolarHBondContact CE-OD2 3.27Å; K538-D715 IonicContact NZ-OD2 3.42Å; K538-D715 PolarHBondContact NZ-OD2 3.28Å
539Y86.1Confident80.5Confident36 Ų3675 Ų7514%0.14139%0.387CS..THydrogen-bonded Turntrans-88.712179.4-60.6-60.1000114.5F41 H537 I553 A554 F636 D715F41-Y539 HydrophobicContact CE2-CD2 4.18Å; H537-Y539 VanDerWaalsContact C-N 3.25Å; H537-Y539 AromaticContact CE1-CD2 3.74Å; H537-Y539 PolarHBondContact ND1-N 3.07Å; H537-Y539 VanDerWaalsContact ND1-N 3.2Å; H537-Y539 PolarHBondContact O-N 3.12Å; Y539-I553 HydrophobicContact CD2-CG2 4.18Å; Y539-I553 HydrophobicContact CG-CG2 4.15Å; Y539-A554 HydrophobicContact CE1-CB 4.38Å; Y539-A554 HydrophobicContact CE2-CB 4.02Å; Y539-A554 WeakPolarHBondContact OH-CB 3.4Å; Y539-F636 WeakPolarHBondContact O-CD1 3.31Å; Y539-D715 HydrophobicContact CE1-CB 4.13Å
540S88.9Confident81Confident45 Ų4576.9 Ų76.932%0.31539%0.393SS..  trans-65.3144.9172.365.80000110.2H537 K538 L635H537-S540 VanDerWaalsContact O-CB 3.24Å; H537-S540 WeakPolarHBondContact O-CB 3.36Å; H537-S540 PolarHBondContact O-N 3.02Å; H537-S540 PolarHBondContact O-OG 2.71Å; K538-S540 VanDerWaalsContact C-N 3.33Å; S540-L635 CarbonylContact C-O 3.47Å; S540-L635 VanDerWaalsContact CA-O 3.27Å; S540-L635 WeakPolarHBondContact CA-O 3.27Å
541S90.6Very high81.7Confident8 Ų875.9 Ų75.96%0.05639%0.387CS..  trans-138.5149.6-178.654.60000112.8E545 W546 T551 L635 L637S541-E545 WeakPolarHBondContact CA-OE2 3.45Å; S541-E545 VanDerWaalsContact CB-OE2 3.28Å; S541-E545 WeakPolarHBondContact CB-OE2 3.28Å; S541-W546 PolarHBondContact OG-NE1 3.22Å; S541-T551 WeakPolarHBondContact CB-OG1 3.35Å; S541-T551 PolarHBondContact OG-OG1 2.83Å; S541-L635 PolarHBondContact N-O 2.85Å; S541-L637 PolarHBondContact OG-N 3.33Å
542A91.5Very high83.1Confident44 Ų4467.8 Ų67.836%0.36435%0.352SS..  trans-78.7149.1177.400000110.9L544 E545 W546A542-L544 VanDerWaalsContact C-N 3.26Å; A542-L544 PolarHBondContact O-N 2.75Å; A542-L544 VanDerWaalsContact O-N 3.14Å; A542-E545 HydrophobicContact CB-CG 4.07Å; A542-E545 PolarHBondContact N-OE2 3.46Å; A542-E545 WeakPolarHBondContact O-CB 3.39Å; A542-E545 PolarHBondContact O-N 2.96Å; A542-W546 PolarHBondContact O-NE1 3.18Å
543P93.2Very high84.6Confident17 Ų1762.6 Ų62.611%0.1133%0.327CS..Hα-helixtrans-56.1-36.1-178-26.733.4000114.8E545 W546 F625 F628 L629 L635P543-E545 VanDerWaalsContact C-N 3.3Å; P543-E545 PolarHBondContact O-N 2.81Å; P543-W546 HydrophobicContact CB-CD2 4.42Å; P543-W546 HydrophobicContact CB-CE3 4.03Å; P543-W546 HydrophobicContact CB-CH2 3.98Å; P543-W546 HydrophobicContact CB-CZ2 4.31Å; P543-W546 HydrophobicContact CB-CZ3 3.82Å; P543-W546 HydrophobicContact CG-CH2 3.9Å; P543-W546 HydrophobicContact CG-CZ2 4.18Å; P543-W546 HydrophobicContact CG-CZ3 4.24Å; P543-W546 WeakPolarHBondContact O-CB 3.14Å; P543-W546 PolarHBondContact O-N 2.85Å; P543-F625 HydrophobicContact CB-CE2 4.17Å; P543-F625 HydrophobicContact CB-CZ 4.47Å; P543-F625 VanDerWaalsContact O-CE2 3.27Å; P543-F625 WeakPolarHBondContact O-CE2 3.44Å; P543-F628 HydrophobicContact CB-CB 4.38Å; P543-F628 HydrophobicContact CG-CB 4.08Å; P543-F628 WeakPolarHBondContact CG-O 3.38Å; P543-L629 HydrophobicContact CB-CD2 3.75Å; P543-L629 HydrophobicContact CB-CG 4.43Å; P543-L629 HydrophobicContact CG-CD2 4.27Å; P543-L635 HydrophobicContact CG-CD1 3.76Å
544L93.3Very high86.3Confident115 Ų11553.4 Ų53.460%0.60229%0.285SS*.Hα-helixtrans-67.2-31.5180-65.8174000112.6A542 W546 I547 F625 L629A542-L544 VanDerWaalsContact C-N 3.26Å; A542-L544 PolarHBondContact O-N 2.75Å; A542-L544 VanDerWaalsContact O-N 3.14Å; L544-W546 PolarHBondContact O-N 3.42Å; L544-I547 PolarHBondContact O-N 3.04Å; L544-F625 HydrophobicContact CD2-CZ 4.49Å; L544-L629 HydrophobicContact CD2-CD2 4.14Å; L544-L629 HydrophobicContact CG-CD2 4.17Å
545E92.7Very high88Confident59 Ų5949.6 Ų49.628%0.27627%0.268SS..Hα-helixtrans-65.9-24.3178.1-62.5170178.200111.7S541 A542 P543 A548 M549 E550 T551S541-E545 WeakPolarHBondContact CA-OE2 3.45Å; S541-E545 VanDerWaalsContact CB-OE2 3.28Å; S541-E545 WeakPolarHBondContact CB-OE2 3.28Å; A542-E545 HydrophobicContact CB-CG 4.07Å; A542-E545 PolarHBondContact N-OE2 3.46Å; A542-E545 WeakPolarHBondContact O-CB 3.39Å; A542-E545 PolarHBondContact O-N 2.96Å; P543-E545 VanDerWaalsContact C-N 3.3Å; P543-E545 PolarHBondContact O-N 2.81Å; E545-A548 PolarHBondContact O-N 2.84Å; E545-M549 WeakPolarHBondContact O-CA 3.34Å; E545-M549 PolarHBondContact O-N 3.5Å; E545-E550 HydrophobicContact CB-CB 4.22Å; E545-E550 PolarHBondContact O-N 3.27Å; E545-T551 WeakPolarHBondContact OE2-CG2 3.27Å
546W94.1Very high89.7Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-69.4-33.2178.8-51.5-18.9000112.5S541 A542 P543 L544 A548 M549 W574 F625 F628 L635 L637 H639 Y640S541-W546 PolarHBondContact OG-NE1 3.22Å; A542-W546 PolarHBondContact O-NE1 3.18Å; P543-W546 HydrophobicContact CB-CD2 4.42Å; P543-W546 HydrophobicContact CB-CE3 4.03Å; P543-W546 HydrophobicContact CB-CH2 3.98Å; P543-W546 HydrophobicContact CB-CZ2 4.31Å; P543-W546 HydrophobicContact CB-CZ3 3.82Å; P543-W546 HydrophobicContact CG-CH2 3.9Å; P543-W546 HydrophobicContact CG-CZ2 4.18Å; P543-W546 HydrophobicContact CG-CZ3 4.24Å; P543-W546 WeakPolarHBondContact O-CB 3.14Å; P543-W546 PolarHBondContact O-N 2.85Å; L544-W546 PolarHBondContact O-N 3.42Å; W546-A548 VanDerWaalsContact C-N 3.33Å; W546-A548 PolarHBondContact O-N 2.89Å; W546-M549 PolarHBondContact O-N 2.89Å; W546-W574 WeakPolarHBondContact O-CZ2 3.45Å; W546-W574 PolarHBondContact O-NE1 3.14Å; W546-F625 HydrophobicContact CE3-CD2 4.27Å; W546-F625 HydrophobicContact CE3-CE2 4.12Å; W546-F628 HydrophobicContact CH2-CB 3.87Å; W546-F628 HydrophobicContact CH2-CD1 4.14Å; W546-F628 HydrophobicContact CH2-CD2 4.49Å; W546-F628 AromaticContact CH2-CG 3.95Å; W546-F628 HydrophobicContact CH2-CG 3.95Å; W546-F628 HydrophobicContact CZ3-CB 3.83Å; W546-F628 HydrophobicContact CZ3-CD1 4.49Å; W546-F628 HydrophobicContact CZ3-CD2 4.04Å; W546-F628 AromaticContact CZ3-CG 3.89Å; W546-F628 HydrophobicContact CZ3-CG 3.89Å; W546-L635 HydrophobicContact CH2-CB 4.01Å; W546-L635 HydrophobicContact CH2-CD1 3.97Å; W546-L635 HydrophobicContact CH2-CG 4.43Å; W546-L635 HydrophobicContact CZ2-CB 3.58Å; W546-L635 HydrophobicContact CZ2-CD1 4.17Å; W546-L635 HydrophobicContact CZ2-CG 4.43Å; W546-L637 HydrophobicContact CB-CD1 4.04Å; W546-L637 HydrophobicContact CG-CD1 4.11Å; W546-H639 HydrophobicContact CH2-CB 3.96Å; W546-H639 HydrophobicContact CZ2-CB 4.45Å; W546-H639 HydrophobicContact CZ3-CB 4.26Å; W546-Y640 HydrophobicContact CB-CD1 4.23Å; W546-Y640 HydrophobicContact CB-CD2 4.13Å; W546-Y640 HydrophobicContact CB-CG 3.82Å; W546-Y640 HydrophobicContact CE3-CD2 4.06Å; W546-Y640 HydrophobicContact CE3-CG 4.28Å
547I92.9Very high90.8Very high55 Ų5539.7 Ų39.728%0.28221%0.211SC..Hα-helixtrans-60.5-50.2177.9-60.9177.1000108.5L544 W574 N578 F625L544-I547 PolarHBondContact O-N 3.04Å; I547-W574 PolarHBondContact O-NE1 3.08Å; I547-W574 VanDerWaalsContact O-NE1 3.15Å; I547-N578 PolarHBondContact O-ND2 3.23Å; I547-F625 HydrophobicContact CD1-CE1 3.99Å; I547-F625 HydrophobicContact CD1-CE2 4.43Å; I547-F625 HydrophobicContact CD1-CZ 3.64Å; I547-F625 HydrophobicContact CG1-CE2 4.15Å; I547-F625 HydrophobicContact CG1-CZ 3.85Å
548A90.4Very high91.2Very high35 Ų3539.3 Ų39.329%0.28921%0.21SC..Hα-helixtrans-78.5-18.7179.400000112.8E545 W546 E550 R711E545-A548 PolarHBondContact O-N 2.84Å; W546-A548 VanDerWaalsContact C-N 3.33Å; W546-A548 PolarHBondContact O-N 2.89Å; A548-E550 HydrophobicContact CB-CG 3.76Å; A548-R711 PolarHBondContact O-NH1 2.94Å; A548-R711 PolarHBondContact O-NH2 2.75Å
549M92.9Very high91.2Very high3 Ų336.8 Ų36.82%0.01521%0.208CC..THydrogen-bonded Turntrans60.453.2-168.6-166.2174.874.300111.6E545 W546 I568 G569 P571 W574 L637 R711 W714E545-M549 WeakPolarHBondContact O-CA 3.34Å; E545-M549 PolarHBondContact O-N 3.5Å; W546-M549 PolarHBondContact O-N 2.89Å; M549-I568 HydrophobicContact CE-CG2 4.19Å; M549-I568 HydrophobicContact SD-CG2 4.5Å; M549-G569 WeakPolarHBondContact CE-O 3.23Å; M549-G569 VanDerWaalsContact SD-CA 3.57Å; M549-G569 PolarHBondContact SD-N 3.46Å; M549-P571 HydrophobicContact CE-CB 3.95Å; M549-P571 HydrophobicContact CE-CG 3.71Å; M549-W574 HydrophobicContact CB-CD2 4.48Å; M549-W574 HydrophobicContact CB-CZ2 4.48Å; M549-W574 HydrophobicContact SD-CD2 4.12Å; M549-W574 HydrophobicContact SD-CE3 3.95Å; M549-W574 HydrophobicContact SD-CZ3 4.18Å; M549-L637 HydrophobicContact CG-CD2 4.49Å; M549-R711 PolarHBondContact O-NH1 3.04Å; M549-W714 HydrophobicContact CE-CH2 4.03Å; M549-W714 HydrophobicContact CE-CZ2 3.48Å; M549-W714 VanDerWaalsContact CE-CZ2 3.48Å; M549-W714 PolarHBondContact O-NE1 2.88Å
550E89.8Confident91.2Very high87 Ų8739 Ų3941%0.40723%0.229SC..  trans-76.3-34.5179.1-65.3-179.3178.200112.1E545 A548 S713E545-E550 HydrophobicContact CB-CB 4.22Å; E545-E550 PolarHBondContact O-N 3.27Å; A548-E550 HydrophobicContact CB-CG 3.76Å; E550-S713 WeakPolarHBondContact O-CB 3.48Å; E550-S713 PolarHBondContact O-OG 2.91Å
551T88.3Confident91.1Very high29 Ų2938.5 Ų38.518%0.17822%0.224CC..  trans-104.1146.2-179.561.80000111.8S541 E545S541-T551 WeakPolarHBondContact CB-OG1 3.35Å; S541-T551 PolarHBondContact OG-OG1 2.83Å; E545-T551 WeakPolarHBondContact OE2-CG2 3.27Å
552N92.4Very high91Very high6 Ų639 Ų393%0.03223%0.226CC..  trans-118.7162.2166.568.9-42000110.4H566 I568 W714 D715N552-H566 PolarHBondContact ND2-ND1 3.15Å; N552-H566 VanDerWaalsContact ND2-ND1 3.14Å; N552-I568 HydrophobicContact CB-CD1 4.1Å; N552-I568 HydrophobicContact CB-CG1 3.56Å; N552-W714 WeakPolarHBondContact OD1-CA 3.42Å; N552-D715 PolarHBondContact ND2-O 2.71Å; N552-D715 PolarHBondContact OD1-N 3.43Å
553I92.8Very high91Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-119.2126.5176.7-48.3178.9000108.9F41 Y539 Y555 H566 L567 F636 L637 Y638F41-I553 HydrophobicContact CD1-CG2 4.38Å; F41-I553 HydrophobicContact CD2-CG2 4.34Å; F41-I553 HydrophobicContact CE1-CG2 4.33Å; F41-I553 HydrophobicContact CE2-CG2 4.29Å; F41-I553 HydrophobicContact CG-CG2 4.41Å; F41-I553 HydrophobicContact CZ-CG2 4.29Å; Y539-I553 HydrophobicContact CD2-CG2 4.18Å; Y539-I553 HydrophobicContact CG-CG2 4.15Å; I553-Y555 HydrophobicContact CB-CD1 4.17Å; I553-Y555 HydrophobicContact CB-CE1 3.96Å; I553-Y555 HydrophobicContact CG2-CD1 3.9Å; I553-Y555 HydrophobicContact CG2-CE1 3.78Å; I553-Y555 PolarHBondContact O-N 2.92Å; I553-H566 CarbonylContact O-C 3.45Å; I553-H566 VanDerWaalsContact O-CA 3.29Å; I553-H566 WeakPolarHBondContact O-CA 3.21Å; I553-L567 HydrophobicContact CB-CB 4.14Å; I553-L567 HydrophobicContact CD1-CD2 3.94Å; I553-L567 HydrophobicContact CG1-CD2 4.42Å; I553-L567 PolarHBondContact N-O 2.89Å; I553-L567 PolarHBondContact O-N 2.6Å; I553-F636 HydrophobicContact CD1-CB 3.88Å; I553-F636 HydrophobicContact CD1-CD1 3.99Å; I553-F636 HydrophobicContact CD1-CG 4.37Å; I553-L637 HydrophobicContact CD1-CB 4.17Å; I553-L637 HydrophobicContact CG1-CB 4.5Å; I553-Y638 HydrophobicContact CD1-CD1 3.99Å; I553-Y638 HydrophobicContact CD1-CE1 4.33Å
554A92.6Very high90.9Very high6 Ų636.6 Ų36.65%0.0521%0.207CC..EExtended strand (participates in β ladder)trans-80115.5172.600000109.7Y539 L557Y539-A554 HydrophobicContact CE1-CB 4.38Å; Y539-A554 HydrophobicContact CE2-CB 4.02Å; Y539-A554 WeakPolarHBondContact OH-CB 3.4Å; A554-L557 HydrophobicContact CB-CD1 4.39Å
555Y92.8Very high91Very high2 Ų231.1 Ų31.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-87.4-43.1-175.8-94.837.6000111.5V40 F41 V147 Q148 F151 L153 I553 I565 L567V40-Y555 HydrophobicContact CG1-CD2 3.73Å; V40-Y555 HydrophobicContact CG1-CG 3.95Å; V40-Y555 VanDerWaalsContact CG1-O 3.25Å; V40-Y555 WeakPolarHBondContact CG1-O 3.31Å; F41-Y555 HydrophobicContact CB-CD1 4.13Å; F41-Y555 HydrophobicContact CB-CE1 4.47Å; F41-Y555 HydrophobicContact CB-CG 4.31Å; F41-Y555 HydrophobicContact CD1-CE1 4.47Å; F41-Y555 PolarHBondContact N-O 3.04Å; V147-Y555 HydrophobicContact CG1-CD2 3.57Å; V147-Y555 HydrophobicContact CG1-CE2 3.71Å; V147-Y555 HydrophobicContact CG1-CG 4.24Å; Q148-Y555 PolarHBondContact OE1-OH 3.39Å; F151-Y555 AromaticContact CD2-CD2 3.86Å; F151-Y555 HydrophobicContact CD2-CD2 3.86Å; F151-Y555 HydrophobicContact CD2-CE2 4.26Å; F151-Y555 HydrophobicContact CE2-CD2 4.15Å; L153-Y555 HydrophobicContact CD1-CE2 3.68Å; I553-Y555 HydrophobicContact CB-CD1 4.17Å; I553-Y555 HydrophobicContact CB-CE1 3.96Å; I553-Y555 HydrophobicContact CG2-CD1 3.9Å; I553-Y555 HydrophobicContact CG2-CE1 3.78Å; I553-Y555 PolarHBondContact O-N 2.92Å; Y555-I565 WeakPolarHBondContact CA-O 3.21Å; Y555-I565 WeakPolarHBondContact CB-O 3.49Å; Y555-I565 PolarHBondContact N-O 2.96Å; Y555-L567 HydrophobicContact CD1-CB 3.97Å; Y555-L567 HydrophobicContact CE1-CB 3.61Å; Y555-L567 HydrophobicContact CE1-CD2 4.23Å; Y555-L567 HydrophobicContact CE1-CG 4.39Å
556W93.7Very high91.1Very high9 Ų928.3 Ų28.33%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-155.2143-179.5173.182.4000110.6P36 V40 H558 A563 Q564 I565P36-W556 HydrophobicContact CB-CD2 3.94Å; P36-W556 HydrophobicContact CB-CE3 4.25Å; P36-W556 HydrophobicContact CB-CG 4.48Å; P36-W556 HydrophobicContact CB-CH2 4.04Å; P36-W556 HydrophobicContact CB-CZ2 3.74Å; P36-W556 HydrophobicContact CB-CZ3 4.29Å; P36-W556 HydrophobicContact CG-CD2 3.94Å; P36-W556 HydrophobicContact CG-CE3 4.27Å; P36-W556 HydrophobicContact CG-CG 4.11Å; V40-W556 HydrophobicContact CG1-CB 4.38Å; V40-W556 HydrophobicContact CG2-CB 4.25Å; W556-H558 HydrophobicContact CH2-CB 3.63Å; W556-H558 AromaticContact CH2-CD2 3.6Å; W556-H558 HydrophobicContact CZ2-CB 3.84Å; W556-H558 AromaticContact CZ2-CD2 3.56Å; W556-H558 HydrophobicContact CZ3-CB 4.27Å; W556-A563 HydrophobicContact CH2-CB 4.22Å; W556-A563 HydrophobicContact CZ3-CB 4.02Å; W556-Q564 CarbonylContact O-C 3.59Å; W556-Q564 VanDerWaalsContact O-CA 3.25Å; W556-Q564 WeakPolarHBondContact O-CA 3.28Å; W556-I565 HydrophobicContact CB-CB 4.35Å; W556-I565 HydrophobicContact CB-CD1 4.44Å; W556-I565 HydrophobicContact CD2-CD1 4.43Å; W556-I565 HydrophobicContact CE3-CD1 3.75Å; W556-I565 HydrophobicContact CE3-CG1 4.03Å; W556-I565 HydrophobicContact CZ3-CD1 4.38Å; W556-I565 PolarHBondContact N-O 3.14Å; W556-I565 PolarHBondContact O-N 3.26Å
557L91.8Very high91.2Very high69 Ų6928.3 Ų28.336%0.36117%0.165SC..EExtended strand (participates in β ladder)trans-130.4130.6175.3-68.6138.6000107.6A554 Q564 L717A554-L557 HydrophobicContact CB-CD1 4.39Å; L557-Q564 HydrophobicContact CD2-CB 3.82Å; L557-Q564 VanDerWaalsContact CD2-OE1 3.24Å; L557-Q564 HydrophobicContact CG-CB 4.37Å; L557-L717 HydrophobicContact CD1-CD1 3.72Å; L557-L717 HydrophobicContact CD2-CB 3.98Å; L557-L717 HydrophobicContact CD2-CD1 3.9Å; L557-L717 HydrophobicContact CD2-CG 4.45Å; L557-L717 HydrophobicContact CG-CD1 4.49Å
558H89Confident91.2Very high55 Ų5525.9 Ų25.926%0.25515%0.153SC..  trans-68.7138.8175.9-166.4-91.5000110.4W556 S560 T561 A563W556-H558 HydrophobicContact CH2-CB 3.63Å; W556-H558 AromaticContact CH2-CD2 3.6Å; W556-H558 HydrophobicContact CZ2-CB 3.84Å; W556-H558 AromaticContact CZ2-CD2 3.56Å; W556-H558 HydrophobicContact CZ3-CB 4.27Å; H558-S560 VanDerWaalsContact C-N 3.31Å; H558-S560 PolarHBondContact CE1-OG 3.35Å; H558-S560 PolarHBondContact ND1-N 3.45Å; H558-S560 PolarHBondContact ND1-OG 3.23Å; H558-S560 PolarHBondContact O-N 3.45Å; H558-T561 WeakPolarHBondContact CB-OG1 3.36Å; H558-T561 PolarHBondContact ND1-N 2.95Å; H558-T561 VanDerWaalsContact ND1-N 3.14Å; H558-T561 PolarHBondContact ND1-OG1 2.92Å; H558-A563 HydrophobicContact CB-CB 4Å; H558-A563 WeakPolarHBondContact CB-O 3.33Å; H558-A563 PolarHBondContact N-O 2.77Å
559P85.1Confident91.4Very high92 Ų9224.2 Ų24.260%0.59714%0.139SC*.SBendtrans-66.6-28.8-17523.5-34.5000113.9R719P559-R719 VanDerWaalsContact O-CZ 3.23Å; P559-R719 PolarHBondContact O-NH1 2.79Å; P559-R719 PolarHBondContact O-NH2 3.29Å
560S85.7Confident91.6Very high83 Ų8324.1 Ų24.158%0.5814%0.138SC*.SBendtrans-120.7-13.4-175.459.10000115.3H558H558-S560 VanDerWaalsContact C-N 3.31Å; H558-S560 PolarHBondContact CE1-OG 3.35Å; H558-S560 PolarHBondContact ND1-N 3.45Å; H558-S560 PolarHBondContact ND1-OG 3.23Å; H558-S560 PolarHBondContact O-N 3.45Å
561T87.2Confident91.8Very high34 Ų3421.2 Ų21.221%0.20913%0.127CC..SBendtrans-122.7167.5-175.366.20000109.9H558 A563 E699H558-T561 WeakPolarHBondContact CB-OG1 3.36Å; H558-T561 PolarHBondContact ND1-N 2.95Å; H558-T561 VanDerWaalsContact ND1-N 3.14Å; H558-T561 PolarHBondContact ND1-OG1 2.92Å; T561-A563 PolarHBondContact O-N 3.15Å; T561-E699 VanDerWaalsContact CB-CD 3.48Å; T561-E699 WeakPolarHBondContact CB-OE1 3.36Å; T561-E699 WeakPolarHBondContact CB-OE2 3.28Å
562N89.4Confident92.1Very high19 Ų1921.8 Ų21.810%0.10213%0.131CC..SBendtrans-83.715.4176.7-79.4-24.1000112.9Q564 E699 L700 L705 R719N562-Q564 PolarHBondContact O-N 2.87Å; N562-E699 HydrophobicContact CB-CG 4.26Å; N562-E699 PolarHBondContact N-OE1 2.88Å; N562-L700 WeakPolarHBondContact CB-O 3.42Å; N562-L705 HydrophobicContact CB-CD1 3.9Å; N562-R719 PolarHBondContact ND2-O 3.39Å; N562-R719 WeakPolarHBondContact OD1-CB 3.41Å; N562-R719 PolarHBondContact OD1-N 2.73Å
563A90.6Very high92.3Very high5 Ų521.6 Ų21.64%0.04113%0.129CC..  trans-71.2127.1173.600000109.8W556 H558 T561W556-A563 HydrophobicContact CH2-CB 4.22Å; W556-A563 HydrophobicContact CZ3-CB 4.02Å; H558-A563 HydrophobicContact CB-CB 4Å; H558-A563 WeakPolarHBondContact CB-O 3.33Å; H558-A563 PolarHBondContact N-O 2.77Å; T561-A563 PolarHBondContact O-N 3.15Å
564Q92.5Very high92.4Very high5 Ų521.8 Ų21.82%0.02313%0.13CC..EExtended strand (participates in β ladder)trans-150150.3-177.161.5-171.5-17.500111.2W556 L557 N562 H566 L693 L705 I716 L717W556-Q564 CarbonylContact O-C 3.59Å; W556-Q564 VanDerWaalsContact O-CA 3.25Å; W556-Q564 WeakPolarHBondContact O-CA 3.28Å; L557-Q564 HydrophobicContact CD2-CB 3.82Å; L557-Q564 VanDerWaalsContact CD2-OE1 3.24Å; L557-Q564 HydrophobicContact CG-CB 4.37Å; N562-Q564 PolarHBondContact O-N 2.87Å; Q564-H566 PolarHBondContact OE1-NE2 3.39Å; Q564-L693 HydrophobicContact CG-CD2 3.62Å; Q564-L705 VanDerWaalsContact NE2-CD1 3.3Å; Q564-I716 VanDerWaalsContact NE2-CG2 3.33Å; Q564-L717 PolarHBondContact NE2-O 3.38Å; Q564-L717 PolarHBondContact OE1-O 3.3Å; Q564-L717 VanDerWaalsContact OE1-O 3.09Å
565I94.9Very high92.6Very high0 Ų023.2 Ų23.20%015%0.146CC..EExtended strand (participates in β ladder)trans-119.2128.9176.8-65.6159000108P36 V147 F151 Y555 W556 L693P36-I565 VanDerWaalsContact CD-CD1 3.47Å; P36-I565 HydrophobicContact CG-CD1 3.77Å; V147-I565 HydrophobicContact CG1-CG2 4.21Å; F151-I565 HydrophobicContact CE2-CG2 3.96Å; F151-I565 HydrophobicContact CZ-CD1 3.96Å; F151-I565 HydrophobicContact CZ-CG2 4.16Å; Y555-I565 WeakPolarHBondContact CA-O 3.21Å; Y555-I565 WeakPolarHBondContact CB-O 3.49Å; Y555-I565 PolarHBondContact N-O 2.96Å; W556-I565 HydrophobicContact CB-CB 4.35Å; W556-I565 HydrophobicContact CB-CD1 4.44Å; W556-I565 HydrophobicContact CD2-CD1 4.43Å; W556-I565 HydrophobicContact CE3-CD1 3.75Å; W556-I565 HydrophobicContact CE3-CG1 4.03Å; W556-I565 HydrophobicContact CZ3-CD1 4.38Å; W556-I565 PolarHBondContact N-O 3.14Å; W556-I565 PolarHBondContact O-N 3.26Å; I565-L693 VanDerWaalsContact CA-O 3.27Å; I565-L693 WeakPolarHBondContact CA-O 3.18Å
566H94.5Very high92.7Very high1 Ų125 Ų251%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-128.5141.7178.9-70-107.3000110.9N552 I553 Q564 I568 L693 D715N552-H566 PolarHBondContact ND2-ND1 3.15Å; N552-H566 VanDerWaalsContact ND2-ND1 3.14Å; I553-H566 CarbonylContact O-C 3.45Å; I553-H566 VanDerWaalsContact O-CA 3.29Å; I553-H566 WeakPolarHBondContact O-CA 3.21Å; Q564-H566 PolarHBondContact OE1-NE2 3.39Å; H566-I568 HydrophobicContact CB-CD1 3.75Å; H566-I568 HydrophobicContact CB-CG1 3.9Å; H566-I568 PolarHBondContact O-N 3.4Å; H566-L693 PolarHBondContact N-O 3.31Å; H566-D715 PolarHBondContact CE1-O 3.1Å; H566-D715 VanDerWaalsContact CE1-O 3.22Å
567L95.1Very high92.8Very high0 Ų024.6 Ų24.60%016%0.155CC..EExtended strand (participates in β ladder)trans-76.691.7164.7-171.776.3000108.6V147 I553 Y555 L637 Y638V147-L567 HydrophobicContact CB-CD1 4.09Å; V147-L567 HydrophobicContact CG1-CB 4.44Å; V147-L567 HydrophobicContact CG1-CD1 3.94Å; I553-L567 HydrophobicContact CB-CB 4.14Å; I553-L567 HydrophobicContact CD1-CD2 3.94Å; I553-L567 HydrophobicContact CG1-CD2 4.42Å; I553-L567 PolarHBondContact N-O 2.89Å; I553-L567 PolarHBondContact O-N 2.6Å; Y555-L567 HydrophobicContact CD1-CB 3.97Å; Y555-L567 HydrophobicContact CE1-CB 3.61Å; Y555-L567 HydrophobicContact CE1-CD2 4.23Å; Y555-L567 HydrophobicContact CE1-CG 4.39Å; L567-L637 HydrophobicContact CD2-CB 4.23Å; L567-L637 HydrophobicContact CD2-CD2 4.33Å; L567-L637 HydrophobicContact CD2-CG 4.47Å; L567-L637 HydrophobicContact CG-CD2 4.5Å; L567-Y638 HydrophobicContact CD2-CD1 4.28Å
568I94.4Very high93Very high4 Ų422.4 Ų22.42%0.02114%0.144CC..  trans-128.1127.4173.7-65.2169.4000107.1N143 S144 M549 N552 H566 F690 L693 W714 I716N143-I568 WeakPolarHBondContact CB-O 3.32Å; S144-I568 PolarHBondContact N-O 3.45Å; M549-I568 HydrophobicContact CE-CG2 4.19Å; M549-I568 HydrophobicContact SD-CG2 4.5Å; N552-I568 HydrophobicContact CB-CD1 4.1Å; N552-I568 HydrophobicContact CB-CG1 3.56Å; H566-I568 HydrophobicContact CB-CD1 3.75Å; H566-I568 HydrophobicContact CB-CG1 3.9Å; H566-I568 PolarHBondContact O-N 3.4Å; I568-F690 HydrophobicContact CG2-CD1 4.28Å; I568-F690 HydrophobicContact CG2-CE1 4.33Å; I568-L693 HydrophobicContact CD1-CD1 4.24Å; I568-W714 HydrophobicContact CG2-CH2 4.37Å; I568-W714 HydrophobicContact CG2-CZ3 4.46Å; I568-I716 HydrophobicContact CD1-CD1 4.37Å
569G94.3Very high93.3Very high0 Ų025.4 Ų25.40%016%0.161CC..  trans-75.2167.3173.700000112.5E142 M549 P571E142-G569 WeakPolarHBondContact OE1-CA 3.45Å; M549-G569 WeakPolarHBondContact CE-O 3.23Å; M549-G569 VanDerWaalsContact SD-CA 3.57Å; M549-G569 PolarHBondContact SD-N 3.46Å; G569-P571 WeakPolarHBondContact O-CD 3.43Å
570N95.9Very high93.9Very high0 Ų021.9 Ų21.90%014%0.139CC..  trans-72.7110.7171.9-179.6-34.9000108.9L141 E142 V572 S573 W574 I683 S686 Y687L141-N570 PolarHBondContact O-ND2 3.2Å; E142-N570 PolarHBondContact OE1-N 3.45Å; E142-N570 VanDerWaalsContact OE2-CB 3.28Å; E142-N570 WeakPolarHBondContact OE2-CB 3.45Å; E142-N570 PolarHBondContact OE2-N 2.68Å; N570-V572 PolarHBondContact O-N 3.3Å; N570-V572 VanDerWaalsContact O-N 3.13Å; N570-V572 PolarHBondContact OD1-N 3.05Å; N570-S573 WeakPolarHBondContact CB-OG 3.44Å; N570-S573 PolarHBondContact O-N 3.15Å; N570-S573 PolarHBondContact O-OG 2.86Å; N570-S573 PolarHBondContact OD1-N 3.24Å; N570-W574 VanDerWaalsContact O-CB 3.31Å; N570-W574 WeakPolarHBondContact O-CB 3.17Å; N570-W574 PolarHBondContact O-N 2.74Å; N570-I683 PolarHBondContact ND2-O 3.03Å; N570-S686 WeakPolarHBondContact OD1-CB 3.14Å; N570-S686 PolarHBondContact OD1-OG 2.86Å; N570-Y687 PolarHBondContact ND2-N 3.47Å
571P94.6Very high94.4Very high27 Ų2718.3 Ų18.318%0.17511%0.113CC..Hα-helixtrans-60.6-31.8-170.9-21.732.9000113.1M549 G569 G575 S686 F690 W710 W714M549-P571 HydrophobicContact CE-CB 3.95Å; M549-P571 HydrophobicContact CE-CG 3.71Å; G569-P571 WeakPolarHBondContact O-CD 3.43Å; P571-G575 PolarHBondContact O-N 3.32Å; P571-S686 WeakPolarHBondContact CD-OG 3.32Å; P571-F690 HydrophobicContact CG-CE2 3.88Å; P571-F690 HydrophobicContact CG-CZ 4.2Å; P571-W710 HydrophobicContact CB-CE3 4.29Å; P571-W710 HydrophobicContact CB-CZ3 4.35Å; P571-W710 HydrophobicContact CG-CE3 4Å; P571-W710 HydrophobicContact CG-CZ3 4.14Å; P571-W714 HydrophobicContact CB-CH2 4.49Å; P571-W714 HydrophobicContact CG-CH2 3.69Å; P571-W714 HydrophobicContact CG-CZ2 4.38Å
572V95.6Very high94.8Very high41 Ų4121.8 Ų21.825%0.24813%0.13CC..Hα-helixtrans-73.4-48.7179.5-175.70000110.4N570 W574 G575 V576 S682 I683N570-V572 PolarHBondContact O-N 3.3Å; N570-V572 VanDerWaalsContact O-N 3.13Å; N570-V572 PolarHBondContact OD1-N 3.05Å; V572-W574 VanDerWaalsContact C-N 3.27Å; V572-W574 PolarHBondContact O-N 3.36Å; V572-G575 PolarHBondContact O-N 3.39Å; V572-V576 VanDerWaalsContact O-CG2 3.27Å; V572-V576 WeakPolarHBondContact O-CG2 3.29Å; V572-V576 PolarHBondContact O-N 3.14Å; V572-S682 WeakPolarHBondContact CG1-OG 3.14Å; V572-I683 HydrophobicContact CB-CG1 4.09Å; V572-I683 HydrophobicContact CG1-CG1 3.68Å
573S95.6Very high95.2Very high1 Ų122.4 Ų22.41%0.00714%0.138CC..Hα-helixtrans-60.6-41.4178.382.60000110.5E142 N570 V576 A577 Y648E142-S573 PolarHBondContact OE2-OG 3.06Å; N570-S573 WeakPolarHBondContact CB-OG 3.44Å; N570-S573 PolarHBondContact O-N 3.15Å; N570-S573 PolarHBondContact O-OG 2.86Å; N570-S573 PolarHBondContact OD1-N 3.24Å; S573-V576 PolarHBondContact O-N 3.09Å; S573-A577 WeakPolarHBondContact O-CB 3.4Å; S573-A577 PolarHBondContact O-N 3.01Å; S573-Y648 PolarHBondContact OG-OH 2.9Å
574W95.8Very high95.5Very high4 Ų423.3 Ų23.32%0.01514%0.14CC..Hα-helixtrans-65.5-45.1-178.5-155.6-72.7000111.2W546 I547 M549 N570 V572 A577 N578 L637 Y640 L641 L644W546-W574 WeakPolarHBondContact O-CZ2 3.45Å; W546-W574 PolarHBondContact O-NE1 3.14Å; I547-W574 PolarHBondContact O-NE1 3.08Å; I547-W574 VanDerWaalsContact O-NE1 3.15Å; M549-W574 HydrophobicContact CB-CD2 4.48Å; M549-W574 HydrophobicContact CB-CZ2 4.48Å; M549-W574 HydrophobicContact SD-CD2 4.12Å; M549-W574 HydrophobicContact SD-CE3 3.95Å; M549-W574 HydrophobicContact SD-CZ3 4.18Å; N570-W574 VanDerWaalsContact O-CB 3.31Å; N570-W574 WeakPolarHBondContact O-CB 3.17Å; N570-W574 PolarHBondContact O-N 2.74Å; V572-W574 VanDerWaalsContact C-N 3.27Å; V572-W574 PolarHBondContact O-N 3.36Å; W574-A577 WeakPolarHBondContact O-CB 3.36Å; W574-A577 PolarHBondContact O-N 2.59Å; W574-N578 PolarHBondContact O-N 3.44Å; W574-N578 VanDerWaalsContact O-N 3.07Å; W574-N578 PolarHBondContact O-ND2 3.15Å; W574-L637 HydrophobicContact CH2-CD1 4.05Å; W574-L637 HydrophobicContact CH2-CG 4.4Å; W574-L637 HydrophobicContact CZ2-CD1 4.04Å; W574-Y640 AromaticContact CE2-CE1 3.82Å; W574-Y640 AromaticContact CH2-CD1 3.9Å; W574-Y640 HydrophobicContact CH2-CD1 3.9Å; W574-Y640 HydrophobicContact CH2-CE1 4.47Å; W574-Y640 AromaticContact CZ2-CD1 3.29Å; W574-Y640 HydrophobicContact CZ2-CD1 3.29Å; W574-Y640 AromaticContact CZ2-CE1 3.6Å; W574-Y640 HydrophobicContact CZ2-CE1 3.6Å; W574-Y640 HydrophobicContact CZ2-CG 4.45Å; W574-Y640 AromaticContact NE1-CE1 3.87Å; W574-L641 HydrophobicContact CH2-CD2 4.36Å; W574-L641 HydrophobicContact CZ3-CD2 4.43Å; W574-L644 HydrophobicContact CD2-CD1 4.02Å; W574-L644 HydrophobicContact CD2-CD2 4.16Å; W574-L644 HydrophobicContact CE3-CD1 4.19Å; W574-L644 HydrophobicContact CE3-CD2 3.5Å; W574-L644 HydrophobicContact CE3-CG 4.49Å; W574-L644 HydrophobicContact CG-CD1 4.4Å; W574-L644 HydrophobicContact CH2-CD2 3.8Å; W574-L644 HydrophobicContact CZ2-CD2 4.41Å; W574-L644 HydrophobicContact CZ3-CD2 3.3Å
575G95.4Very high95.7Very high37 Ų3727.4 Ų27.438%0.38116%0.159SC..Hα-helixtrans-60.8-45.4173.300000112.5P571 V572 A577 N578 L579P571-G575 PolarHBondContact O-N 3.32Å; V572-G575 PolarHBondContact O-N 3.39Å; G575-A577 VanDerWaalsContact C-N 3.32Å; G575-A577 PolarHBondContact O-N 3.35Å; G575-N578 PolarHBondContact O-N 3.15Å; G575-L579 WeakPolarHBondContact O-CB 3.37Å; G575-L579 PolarHBondContact O-N 3.45Å
576V95.6Very high95.7Very high39 Ų3932.8 Ų32.824%0.23619%0.187CC..Hα-helixtrans-61.6-40.2176.6170.20000111.6V572 S573 S580 V679V572-V576 VanDerWaalsContact O-CG2 3.27Å; V572-V576 WeakPolarHBondContact O-CG2 3.29Å; V572-V576 PolarHBondContact O-N 3.14Å; S573-V576 PolarHBondContact O-N 3.09Å; V576-S580 VanDerWaalsContact O-CB 3.27Å; V576-S580 WeakPolarHBondContact O-CB 3.41Å; V576-S580 PolarHBondContact O-N 2.78Å; V576-S580 PolarHBondContact O-OG 2.95Å; V576-V679 HydrophobicContact CG2-CG1 3.77Å
577A96.1Very high95.7Very high0 Ų034 Ų340%019%0.194CC..Hα-helixtrans-62.1-47.9177.400000112.2S573 W574 G575 S580 L581 L644 L647 Y648S573-A577 WeakPolarHBondContact O-CB 3.4Å; S573-A577 PolarHBondContact O-N 3.01Å; W574-A577 WeakPolarHBondContact O-CB 3.36Å; W574-A577 PolarHBondContact O-N 2.59Å; G575-A577 VanDerWaalsContact C-N 3.32Å; G575-A577 PolarHBondContact O-N 3.35Å; A577-S580 PolarHBondContact O-N 3.05Å; A577-L581 PolarHBondContact O-N 3.16Å; A577-L644 HydrophobicContact CB-CD1 4.26Å; A577-L647 HydrophobicContact CB-CB 3.78Å; A577-L647 HydrophobicContact CB-CD1 4.25Å; A577-Y648 HydrophobicContact CB-CD1 4.05Å; A577-Y648 HydrophobicContact CB-CE1 3.85Å
578N95.9Very high95.7Very high23 Ų2334.8 Ų34.812%0.12320%0.2CC..Hα-helixtrans-67.1-42177.4-68.4-35.6000112.5I547 W574 G575 S580 L581 L582 Y640I547-N578 PolarHBondContact O-ND2 3.23Å; W574-N578 PolarHBondContact O-N 3.44Å; W574-N578 VanDerWaalsContact O-N 3.07Å; W574-N578 PolarHBondContact O-ND2 3.15Å; G575-N578 PolarHBondContact O-N 3.15Å; N578-S580 VanDerWaalsContact C-N 3.27Å; N578-S580 PolarHBondContact O-N 3.14Å; N578-L581 WeakPolarHBondContact O-CB 3.49Å; N578-L581 PolarHBondContact O-N 3.44Å; N578-L582 PolarHBondContact O-N 3.02Å; N578-Y640 PolarHBondContact OD1-OH 3.26Å
579L96.1Very high95.8Very high119 Ų11936.8 Ų36.862%0.62322%0.218SC*.Hα-helixtrans-61.8-39.1175.9-177.463.6000111.1G575 L582 A583G575-L579 WeakPolarHBondContact O-CB 3.37Å; G575-L579 PolarHBondContact O-N 3.45Å; L579-L582 PolarHBondContact O-N 3.49Å; L579-A583 VanDerWaalsContact O-CB 3.27Å; L579-A583 WeakPolarHBondContact O-CB 3.44Å; L579-A583 PolarHBondContact O-N 2.95Å
580S96.2Very high95.8Very high17 Ų1740.8 Ų40.812%0.11924%0.238CC..Hα-helixtrans-65.4-38.4176.3-610000112V576 A577 N578 Y584 S651 L654V576-S580 VanDerWaalsContact O-CB 3.27Å; V576-S580 WeakPolarHBondContact O-CB 3.41Å; V576-S580 PolarHBondContact O-N 2.78Å; V576-S580 PolarHBondContact O-OG 2.95Å; A577-S580 PolarHBondContact O-N 3.05Å; N578-S580 VanDerWaalsContact C-N 3.27Å; N578-S580 PolarHBondContact O-N 3.14Å; S580-Y584 VanDerWaalsContact O-CB 3.31Å; S580-Y584 WeakPolarHBondContact O-CB 3.28Å; S580-Y584 PolarHBondContact O-N 3.21Å; S580-S651 WeakPolarHBondContact CB-OG 3.42Å; S580-S651 WeakPolarHBondContact OG-CB 3.49Å; S580-S651 PolarHBondContact OG-OG 3.45Å; S580-L654 VanDerWaalsContact O-CD2 3.25Å; S580-L654 WeakPolarHBondContact O-CD2 3.5Å
581L96.8Very high95.7Very high9 Ų941.8 Ų41.85%0.04724%0.243CC..Hα-helixtrans-61.4-49.9173.6-178.664.7000111.7A577 N578 A583 Y584 Q585 W621 L647 L650A577-L581 PolarHBondContact O-N 3.16Å; N578-L581 WeakPolarHBondContact O-CB 3.49Å; N578-L581 PolarHBondContact O-N 3.44Å; L581-A583 PolarHBondContact O-N 3.45Å; L581-Y584 PolarHBondContact O-N 2.81Å; L581-Q585 WeakPolarHBondContact O-CG 3.25Å; L581-Q585 PolarHBondContact O-N 3.38Å; L581-W621 HydrophobicContact CD1-CE3 4.46Å; L581-W621 HydrophobicContact CD2-CD2 3.57Å; L581-W621 HydrophobicContact CD2-CE3 3.79Å; L581-W621 HydrophobicContact CD2-CG 4.16Å; L581-W621 HydrophobicContact CD2-CH2 3.93Å; L581-W621 HydrophobicContact CD2-CZ2 3.71Å; L581-W621 HydrophobicContact CD2-CZ3 3.97Å; L581-L647 HydrophobicContact CB-CD2 3.98Å; L581-L647 HydrophobicContact CD1-CD2 3.93Å; L581-L647 HydrophobicContact CD2-CD2 4.06Å; L581-L647 HydrophobicContact CG-CD2 4.2Å; L581-L650 HydrophobicContact CB-CD2 4.4Å; L581-L650 HydrophobicContact CD1-CD2 3.93Å
582L96.6Very high95.7Very high107 Ų10745 Ų4556%0.5626%0.257SS*.Hα-helixtrans-60.9-45.4178.6-70.6172.9000111.5N578 L579 Y584 Q585 L586N578-L582 PolarHBondContact O-N 3.02Å; L579-L582 PolarHBondContact O-N 3.49Å; L582-Y584 VanDerWaalsContact C-N 3.35Å; L582-Y584 PolarHBondContact O-N 2.98Å; L582-Q585 PolarHBondContact O-N 3.16Å; L582-L586 WeakPolarHBondContact O-CB 3.29Å; L582-L586 PolarHBondContact O-N 3.12Å
583A96.6Very high95.7Very high32 Ų3248.2 Ų48.226%0.26427%0.273SS..Hα-helixtrans-62.2-41.217700000111.9L579 L581 L587 L654L579-A583 VanDerWaalsContact O-CB 3.27Å; L579-A583 WeakPolarHBondContact O-CB 3.44Å; L579-A583 PolarHBondContact O-N 2.95Å; L581-A583 PolarHBondContact O-N 3.45Å; A583-L587 WeakPolarHBondContact O-CB 3.17Å; A583-L587 VanDerWaalsContact O-CG 3.3Å; A583-L587 WeakPolarHBondContact O-CG 3.48Å; A583-L587 PolarHBondContact O-N 2.79Å; A583-L654 HydrophobicContact CB-CD2 3.85Å
584Y96.9Very high95.6Very high23 Ų2353.3 Ų53.39%0.0929%0.292CS..Hα-helixtrans-61.8-47.6174.7-179.9-89.4000111.6S580 L581 L582 L586 L587 A588 F610 G614 L650 L654S580-Y584 VanDerWaalsContact O-CB 3.31Å; S580-Y584 WeakPolarHBondContact O-CB 3.28Å; S580-Y584 PolarHBondContact O-N 3.21Å; L581-Y584 PolarHBondContact O-N 2.81Å; L582-Y584 VanDerWaalsContact C-N 3.35Å; L582-Y584 PolarHBondContact O-N 2.98Å; Y584-L586 PolarHBondContact O-N 2.87Å; Y584-L587 PolarHBondContact O-N 2.82Å; Y584-A588 HydrophobicContact CE1-CB 4.08Å; Y584-A588 VanDerWaalsContact O-CB 3.26Å; Y584-A588 WeakPolarHBondContact O-CB 3.31Å; Y584-A588 PolarHBondContact O-N 3.12Å; Y584-F610 AromaticContact CD2-CE2 3.71Å; Y584-F610 HydrophobicContact CD2-CE2 3.71Å; Y584-F610 AromaticContact CD2-CZ 3.78Å; Y584-F610 HydrophobicContact CD2-CZ 3.78Å; Y584-F610 HydrophobicContact CE1-CZ 4.5Å; Y584-F610 HydrophobicContact CE2-CD1 4.28Å; Y584-F610 AromaticContact CE2-CD2 3.85Å; Y584-F610 HydrophobicContact CE2-CD2 3.85Å; Y584-F610 AromaticContact CE2-CE1 3.79Å; Y584-F610 HydrophobicContact CE2-CE1 3.79Å; Y584-F610 AromaticContact CE2-CE2 3.32Å; Y584-F610 HydrophobicContact CE2-CE2 3.32Å; Y584-F610 HydrophobicContact CE2-CG 4.3Å; Y584-F610 AromaticContact CE2-CZ 3.28Å; Y584-F610 HydrophobicContact CE2-CZ 3.28Å; Y584-F610 AromaticContact CZ-CE1 3.75Å; Y584-F610 AromaticContact CZ-CZ 3.65Å; Y584-F610 WeakPolarHBondContact OH-CE1 3.17Å; Y584-F610 PolarHBondContact OH-O 3.49Å; Y584-G614 WeakPolarHBondContact OH-CA 3.45Å; Y584-G614 PolarHBondContact OH-N 3.22Å; Y584-L650 HydrophobicContact CD2-CD1 3.77Å; Y584-L650 HydrophobicContact CE2-CD1 4.33Å; Y584-L650 HydrophobicContact CG-CD1 3.97Å; Y584-L650 HydrophobicContact CG-CD2 4.35Å; Y584-L654 HydrophobicContact CD2-CD1 4.29Å
585Q96Very high95.5Very high92 Ų9256.5 Ų56.543%0.4330%0.304SS..Hα-helixtrans-61.6-43.2-180-73174.2-12.100111.8L581 L582 A588 A589L581-Q585 WeakPolarHBondContact O-CG 3.25Å; L581-Q585 PolarHBondContact O-N 3.38Å; L582-Q585 PolarHBondContact O-N 3.16Å; Q585-A588 PolarHBondContact O-N 2.96Å; Q585-A589 WeakPolarHBondContact O-CB 3.26Å; Q585-A589 PolarHBondContact O-N 3.19Å
586L96.4Very high95.4Very high113 Ų11365.8 Ų65.859%0.59233%0.328SS*.Hα-helixtrans-62-48.1175.5-178.465.2000111.4L582 Y584 A588 A589 L590L582-L586 WeakPolarHBondContact O-CB 3.29Å; L582-L586 PolarHBondContact O-N 3.12Å; Y584-L586 PolarHBondContact O-N 2.87Å; L586-A588 PolarHBondContact O-N 3.04Å; L586-A589 PolarHBondContact O-N 2.89Å; L586-L590 HydrophobicContact CG-CD1 4.2Å; L586-L590 WeakPolarHBondContact O-CB 3.2Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.46Å; L586-L590 PolarHBondContact O-N 2.73Å
587L95.1Very high95.3Very high25 Ų2573.7 Ų73.713%0.13135%0.353CS..Hα-helixtrans-63.6-40.9177.9-74.5167.8000111.9A583 Y584 L590 Y591 F610 L654 I658 L662A583-L587 WeakPolarHBondContact O-CB 3.17Å; A583-L587 VanDerWaalsContact O-CG 3.3Å; A583-L587 WeakPolarHBondContact O-CG 3.48Å; A583-L587 PolarHBondContact O-N 2.79Å; Y584-L587 PolarHBondContact O-N 2.82Å; L587-L590 PolarHBondContact O-N 3.47Å; L587-Y591 HydrophobicContact CB-CE2 4.24Å; L587-Y591 WeakPolarHBondContact O-CB 3.39Å; L587-Y591 WeakPolarHBondContact O-CD2 3.4Å; L587-Y591 VanDerWaalsContact O-CG 3.28Å; L587-Y591 PolarHBondContact O-N 2.92Å; L587-F610 HydrophobicContact CB-CZ 4.32Å; L587-L654 HydrophobicContact CD1-CD1 3.78Å; L587-I658 HydrophobicContact CD1-CG1 4.37Å; L587-L662 HydrophobicContact CD2-CD2 3.99Å
588A94.9Very high95.1Very high17 Ų1776.5 Ų76.514%0.1438%0.382CS..Hα-helixtrans-62.1-44.9175.900000111.3Y584 Q585 L586 Y591 L592 F610Y584-A588 HydrophobicContact CE1-CB 4.08Å; Y584-A588 VanDerWaalsContact O-CB 3.26Å; Y584-A588 WeakPolarHBondContact O-CB 3.31Å; Y584-A588 PolarHBondContact O-N 3.12Å; Q585-A588 PolarHBondContact O-N 2.96Å; L586-A588 PolarHBondContact O-N 3.04Å; A588-Y591 PolarHBondContact O-N 2.88Å; A588-L592 VanDerWaalsContact O-CB 3.28Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 WeakPolarHBondContact O-CD1 3.17Å; A588-L592 WeakPolarHBondContact O-CG 3.07Å; A588-L592 PolarHBondContact O-N 2.81Å; A588-F610 HydrophobicContact CB-CE1 3.91Å; A588-F610 HydrophobicContact CB-CZ 4.09Å
589A95.6Very high94.8Very high47 Ų4781 Ų8139%0.38840%0.401SS..Hα-helixtrans-61.1-46.4175.600000111.6Q585 L586 L592 L593Q585-A589 WeakPolarHBondContact O-CB 3.26Å; Q585-A589 PolarHBondContact O-N 3.19Å; L586-A589 PolarHBondContact O-N 2.89Å; A589-L592 PolarHBondContact O-N 2.97Å; A589-L593 WeakPolarHBondContact O-CB 3.36Å; A589-L593 VanDerWaalsContact O-CG 3.24Å; A589-L593 WeakPolarHBondContact O-CG 3.4Å; A589-L593 PolarHBondContact O-N 2.86Å
590L94.7Very high94.4Very high83 Ų8384.2 Ų84.244%0.43540%0.404SS..Hα-helixtrans-60.8-49177.2-71.4172.8000111.9L586 L587 L592 L593 R594L586-L590 HydrophobicContact CG-CD1 4.2Å; L586-L590 WeakPolarHBondContact O-CB 3.2Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.46Å; L586-L590 PolarHBondContact O-N 2.73Å; L587-L590 PolarHBondContact O-N 3.47Å; L590-L592 PolarHBondContact O-N 2.83Å; L590-L593 PolarHBondContact O-N 3.23Å; L590-R594 WeakPolarHBondContact O-CB 3.35Å; L590-R594 VanDerWaalsContact O-CG 3.27Å; L590-R594 WeakPolarHBondContact O-CG 3.13Å; L590-R594 PolarHBondContact O-N 3.25Å
591Y94.4Very high93.9Very high22 Ų2286.6 Ų86.69%0.08642%0.416CS..Hα-helixtrans-63.6-40.8178-68.4-39.2000112.4L587 A588 R595 D601 L602 W607 F610 H657 L662L587-Y591 HydrophobicContact CB-CE2 4.24Å; L587-Y591 WeakPolarHBondContact O-CB 3.39Å; L587-Y591 WeakPolarHBondContact O-CD2 3.4Å; L587-Y591 VanDerWaalsContact O-CG 3.28Å; L587-Y591 PolarHBondContact O-N 2.92Å; A588-Y591 PolarHBondContact O-N 2.88Å; Y591-R595 WeakPolarHBondContact O-CB 3.06Å; Y591-R595 PolarHBondContact O-N 3.03Å; Y591-D601 HydrophobicContact CD1-CB 4.38Å; Y591-D601 HydrophobicContact CE1-CB 4.33Å; Y591-L602 HydrophobicContact CD1-CD1 4.46Å; Y591-L602 HydrophobicContact CD2-CD1 4.08Å; Y591-L602 HydrophobicContact CE1-CD1 4.21Å; Y591-L602 HydrophobicContact CE1-CG 4.43Å; Y591-L602 HydrophobicContact CE2-CD1 3.83Å; Y591-L602 HydrophobicContact CG-CD1 4.4Å; Y591-W607 HydrophobicContact CG-CZ3 4.45Å; Y591-F610 HydrophobicContact CD2-CD1 4.33Å; Y591-F610 AromaticContact CD2-CE1 3.87Å; Y591-F610 HydrophobicContact CD2-CE1 3.87Å; Y591-F610 HydrophobicContact CD2-CE2 4.39Å; Y591-F610 AromaticContact CD2-CZ 3.91Å; Y591-F610 HydrophobicContact CD2-CZ 3.91Å; Y591-F610 HydrophobicContact CE2-CD2 4.48Å; Y591-F610 HydrophobicContact CE2-CE1 4.37Å; Y591-F610 HydrophobicContact CE2-CE2 4.09Å; Y591-F610 HydrophobicContact CE2-CZ 4.04Å; Y591-H657 AromaticContact CE2-NE2 3.51Å; Y591-H657 AromaticContact CZ-NE2 3.66Å; Y591-H657 PolarHBondContact OH-NE2 3.18Å; Y591-L662 WeakPolarHBondContact OH-CD1 3.26Å
592L93.9Very high93.6Very high93 Ų9386.9 Ų86.949%0.48742%0.417SS..Hα-helixtrans-63.3-44.8176.9-75.1169.3000111.5A588 A589 L590 R595 R596 W607A588-L592 VanDerWaalsContact O-CB 3.28Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 WeakPolarHBondContact O-CD1 3.17Å; A588-L592 WeakPolarHBondContact O-CG 3.07Å; A588-L592 PolarHBondContact O-N 2.81Å; A589-L592 PolarHBondContact O-N 2.97Å; L590-L592 PolarHBondContact O-N 2.83Å; L592-R595 PolarHBondContact O-N 2.98Å; L592-R596 WeakPolarHBondContact O-CG 2.97Å; L592-R596 PolarHBondContact O-N 2.97Å; L592-W607 HydrophobicContact CD2-CH2 3.65Å; L592-W607 HydrophobicContact CD2-CZ2 3.91Å; L592-W607 HydrophobicContact CG-CH2 4.04Å
593L95.3Very high93.3Very high109 Ų10985.9 Ų85.957%0.57142%0.417SS*.Hα-helixtrans-63.1-47177.5-73.6169.8000111.7A589 L590 R596 R597A589-L593 WeakPolarHBondContact O-CB 3.36Å; A589-L593 VanDerWaalsContact O-CG 3.24Å; A589-L593 WeakPolarHBondContact O-CG 3.4Å; A589-L593 PolarHBondContact O-N 2.86Å; L590-L593 PolarHBondContact O-N 3.23Å; L593-R596 PolarHBondContact O-N 3.45Å; L593-R597 WeakPolarHBondContact O-CG 3.04Å; L593-R597 PolarHBondContact O-N 2.82Å; L593-R597 VanDerWaalsContact O-N 3.08Å
594R94.5Very high92.8Very high108 Ų10888.4 Ų88.441%0.40843%0.426SS..Hα-helixtrans-64.1-41.3178.6-72.2178.764.6843.3111.8L590 R597 G598 F599 D601L590-R594 WeakPolarHBondContact O-CB 3.35Å; L590-R594 VanDerWaalsContact O-CG 3.27Å; L590-R594 WeakPolarHBondContact O-CG 3.13Å; L590-R594 PolarHBondContact O-N 3.25Å; R594-R597 CarbonylContact O-C 3.54Å; R594-R597 WeakPolarHBondContact O-CA 3.24Å; R594-R597 WeakPolarHBondContact O-CB 3.07Å; R594-R597 PolarHBondContact O-N 3Å; R594-R597 VanDerWaalsContact O-N 3.11Å; R594-G598 PolarHBondContact O-N 2.91Å; R594-F599 CarbonylContact C-O 3.51Å; R594-F599 HydrophobicContact CB-CB 4.24Å; R594-F599 PolarHBondContact O-N 2.94Å; R594-D601 WeakPolarHBondContact CB-OD2 3.26Å; R594-D601 VanDerWaalsContact CD-OD2 3.25Å; R594-D601 WeakPolarHBondContact CD-OD2 3.32Å; R594-D601 IonicContact CZ-OD1 3.87Å; R594-D601 VanDerWaalsContact CZ-OD1 3.3Å; R594-D601 IonicContact CZ-OD2 3.75Å; R594-D601 IonicContact NE-OD1 3.59Å; R594-D601 PolarHBondContact NE-OD1 2.8Å; R594-D601 IonicContact NE-OD2 3.71Å; R594-D601 PolarHBondContact NE-OD2 3.39Å; R594-D601 IonicContact NH2-OD1 2.73Å; R594-D601 PolarHBondContact NH2-OD1 3.48Å; R594-D601 IonicContact NH2-OD2 3.02Å
595R92.3Very high92.4Very high72 Ų7289.6 Ų89.627%0.27245%0.446SS..Hα-helixtrans-66.3-38.5176.8-163.8170.2-135-148.5-1112.5Y591 L592 R597 G598 F599 D604 W607Y591-R595 WeakPolarHBondContact O-CB 3.06Å; Y591-R595 PolarHBondContact O-N 3.03Å; L592-R595 PolarHBondContact O-N 2.98Å; R595-R597 VanDerWaalsContact C-N 3.26Å; R595-R597 PolarHBondContact O-N 3.34Å; R595-G598 PolarHBondContact O-N 2.87Å; R595-G598 VanDerWaalsContact O-N 3.08Å; R595-F599 WeakPolarHBondContact CA-O 3.3Å; R595-F599 PolarHBondContact N-O 2.71Å; R595-D604 IonicContact CZ-OD1 3.98Å; R595-D604 IonicContact NH2-OD1 2.75Å; R595-D604 PolarHBondContact NH2-OD1 3.11Å; R595-W607 VanDerWaalsContact NH1-CG 3.31Å
596R92.7Very high92.2Very high232 Ų23285.9 Ų85.988%0.87543%0.431SS*.Hα-helixtrans-64.4-29.8171.5-77.1-153.3-178.8-164.52.9113L592 L593 G598L592-R596 WeakPolarHBondContact O-CG 2.97Å; L592-R596 PolarHBondContact O-N 2.97Å; L593-R596 PolarHBondContact O-N 3.45Å; R596-G598 VanDerWaalsContact C-N 3.25Å; R596-G598 PolarHBondContact O-N 2.91Å
597R94.4Very high92Very high204 Ų20482.6 Ų82.677%0.7741%0.41SS*.THydrogen-bonded Turntrans-80.91.7172.5-70.5-176.4178.3-172.30.2114.1L593 R594 R595 F599L593-R597 WeakPolarHBondContact O-CG 3.04Å; L593-R597 PolarHBondContact O-N 2.82Å; L593-R597 VanDerWaalsContact O-N 3.08Å; R594-R597 CarbonylContact O-C 3.54Å; R594-R597 WeakPolarHBondContact O-CA 3.24Å; R594-R597 WeakPolarHBondContact O-CB 3.07Å; R594-R597 PolarHBondContact O-N 3Å; R594-R597 VanDerWaalsContact O-N 3.11Å; R595-R597 VanDerWaalsContact C-N 3.26Å; R595-R597 PolarHBondContact O-N 3.34Å; R597-F599 HydrophobicContact CB-CD2 3.95Å; R597-F599 HydrophobicContact CB-CE2 4.23Å
598G91Very high91.8Very high59 Ų5987.2 Ų87.261%0.60843%0.431SS*.THydrogen-bonded Turntrans90.8-3.9178.600000115.4R594 R595 R596 R600R594-G598 PolarHBondContact O-N 2.91Å; R595-G598 PolarHBondContact O-N 2.87Å; R595-G598 VanDerWaalsContact O-N 3.08Å; R596-G598 VanDerWaalsContact C-N 3.25Å; R596-G598 PolarHBondContact O-N 2.91Å; G598-R600 PolarHBondContact O-N 3.48Å
599F91.1Very high91.7Very high119 Ų11990.9 Ų90.952%0.52244%0.442SS..  trans-81.5112.6175.1-61.4-80.3000110.2R594 R595 R597 D601R594-F599 CarbonylContact C-O 3.51Å; R594-F599 HydrophobicContact CB-CB 4.24Å; R594-F599 PolarHBondContact O-N 2.94Å; R595-F599 WeakPolarHBondContact CA-O 3.3Å; R595-F599 PolarHBondContact N-O 2.71Å; R597-F599 HydrophobicContact CB-CD2 3.95Å; R597-F599 HydrophobicContact CB-CE2 4.23Å; F599-D601 PolarHBondContact O-N 3.05Å
600R87.9Confident91.6Very high185 Ų18589 Ų8970%0.69843%0.425SS*.  trans-97.283.9176.7-64-175.3-176.1179.83.8110.3G598 L602G598-R600 PolarHBondContact O-N 3.48Å; R600-L602 VanDerWaalsContact C-N 3.28Å; R600-L602 PolarHBondContact O-N 3.21Å
601D85.3Confident91.6Very high68 Ų6886.8 Ų86.836%0.36442%0.418SS..  trans-66.8-28-177-55.1-50.5000113.5Y591 R594 F599Y591-D601 HydrophobicContact CD1-CB 4.38Å; Y591-D601 HydrophobicContact CE1-CB 4.33Å; R594-D601 WeakPolarHBondContact CB-OD2 3.26Å; R594-D601 VanDerWaalsContact CD-OD2 3.25Å; R594-D601 WeakPolarHBondContact CD-OD2 3.32Å; R594-D601 IonicContact CZ-OD1 3.87Å; R594-D601 VanDerWaalsContact CZ-OD1 3.3Å; R594-D601 IonicContact CZ-OD2 3.75Å; R594-D601 IonicContact NE-OD1 3.59Å; R594-D601 PolarHBondContact NE-OD1 2.8Å; R594-D601 IonicContact NE-OD2 3.71Å; R594-D601 PolarHBondContact NE-OD2 3.39Å; R594-D601 IonicContact NH2-OD1 2.73Å; R594-D601 PolarHBondContact NH2-OD1 3.48Å; R594-D601 IonicContact NH2-OD2 3.02Å; F599-D601 PolarHBondContact O-N 3.05Å
602L89.6Confident91.5Very high14 Ų1487.8 Ų87.87%0.07343%0.429CS..SBendtrans-117142.2-176.3-66.9168.3000111.1Y591 R600 A606 W607 H661Y591-L602 HydrophobicContact CD1-CD1 4.46Å; Y591-L602 HydrophobicContact CD2-CD1 4.08Å; Y591-L602 HydrophobicContact CE1-CD1 4.21Å; Y591-L602 HydrophobicContact CE1-CG 4.43Å; Y591-L602 HydrophobicContact CE2-CD1 3.83Å; Y591-L602 HydrophobicContact CG-CD1 4.4Å; R600-L602 VanDerWaalsContact C-N 3.28Å; R600-L602 PolarHBondContact O-N 3.21Å; L602-A606 HydrophobicContact CB-CB 4.48Å; L602-W607 HydrophobicContact CB-CB 4.47Å; L602-W607 HydrophobicContact CD1-CE3 4.35Å; L602-H661 HydrophobicContact CD2-CB 3.67Å
603P90.3Very high91.6Very high86 Ų8683.8 Ų83.856%0.55841%0.408SS*.  trans-56.4148.9165.4-21.731.8000111.3G605 A606 W607P603-G605 VanDerWaalsContact C-N 3.27Å; P603-G605 PolarHBondContact O-N 2.86Å; P603-A606 WeakPolarHBondContact O-CB 3.48Å; P603-A606 PolarHBondContact O-N 3.24Å; P603-W607 PolarHBondContact O-N 3.14Å
604D87.6Confident91.6Very high85 Ų8579 Ų7946%0.45539%0.385SS..Hα-helixtrans-58.2-36.8-173.5-73.6-45.6000113.6R595 W607 Q608R595-D604 IonicContact CZ-OD1 3.98Å; R595-D604 IonicContact NH2-OD1 2.75Å; R595-D604 PolarHBondContact NH2-OD1 3.11Å; D604-W607 PolarHBondContact O-N 3.49Å; D604-Q608 VanDerWaalsContact O-CG 3.28Å; D604-Q608 WeakPolarHBondContact O-CG 3.04Å; D604-Q608 PolarHBondContact O-N 2.9Å
605G88.2Confident91.6Very high48 Ų4877 Ų7750%0.49538%0.382SS..Hα-helixtrans-66-39175.400000113.5P603 Q608 R609P603-G605 VanDerWaalsContact C-N 3.27Å; P603-G605 PolarHBondContact O-N 2.86Å; G605-Q608 PolarHBondContact O-N 2.76Å; G605-R609 PolarHBondContact O-N 3.07Å; G605-R609 VanDerWaalsContact O-N 3.08Å
606A90.4Very high91.7Very high14 Ų1474 Ų7412%0.11637%0.372CS..Hα-helixtrans-70.1-39.4176.900000111.2L602 P603 R609 F610L602-A606 HydrophobicContact CB-CB 4.48Å; P603-A606 WeakPolarHBondContact O-CB 3.48Å; P603-A606 PolarHBondContact O-N 3.24Å; A606-R609 PolarHBondContact O-N 3.38Å; A606-F610 WeakPolarHBondContact O-CB 3.39Å; A606-F610 PolarHBondContact O-N 2.75Å
607W92.8Very high91.8Very high44 Ų4463 Ų6317%0.16733%0.33CS..Hα-helixtrans-59.9-47172.2171.1-96.3000112.1Y591 L592 R595 L602 P603 D604 R609 F610 A611Y591-W607 HydrophobicContact CG-CZ3 4.45Å; L592-W607 HydrophobicContact CD2-CH2 3.65Å; L592-W607 HydrophobicContact CD2-CZ2 3.91Å; L592-W607 HydrophobicContact CG-CH2 4.04Å; R595-W607 VanDerWaalsContact NH1-CG 3.31Å; L602-W607 HydrophobicContact CB-CB 4.47Å; L602-W607 HydrophobicContact CD1-CE3 4.35Å; P603-W607 PolarHBondContact O-N 3.14Å; D604-W607 PolarHBondContact O-N 3.49Å; W607-R609 VanDerWaalsContact C-N 3.3Å; W607-R609 PolarHBondContact O-N 3.14Å; W607-F610 HydrophobicContact CE3-CD1 4.42Å; W607-F610 HydrophobicContact CZ3-CD1 4.17Å; W607-F610 PolarHBondContact O-N 2.81Å; W607-A611 WeakPolarHBondContact O-CB 3.45Å; W607-A611 PolarHBondContact O-N 3.22Å
608Q91.2Very high91.9Very high122 Ų12254 Ų5457%0.5730%0.3SS*.Hα-helixtrans-60.1-42.3178.4-75.1175.77.900111.3D604 G605 A611 S612D604-Q608 VanDerWaalsContact O-CG 3.28Å; D604-Q608 WeakPolarHBondContact O-CG 3.04Å; D604-Q608 PolarHBondContact O-N 2.9Å; G605-Q608 PolarHBondContact O-N 2.76Å; Q608-A611 PolarHBondContact O-N 3.2Å; Q608-S612 PolarHBondContact O-N 3.18Å; Q608-S612 PolarHBondContact O-OG 2.85Å
609R92.4Very high92.1Very high94 Ų9452 Ų5236%0.35528%0.28SS..Hα-helixtrans-60-51.9174.5-168.5-172.5-56.6178.6-0.6111.5R126 G605 A606 W607 A611 S612 V613 E656R126-R609 PolarHBondContact O-NE 3.43Å; R126-R609 PolarHBondContact O-NH1 3.3Å; G605-R609 PolarHBondContact O-N 3.07Å; G605-R609 VanDerWaalsContact O-N 3.08Å; A606-R609 PolarHBondContact O-N 3.38Å; W607-R609 VanDerWaalsContact C-N 3.3Å; W607-R609 PolarHBondContact O-N 3.14Å; R609-A611 VanDerWaalsContact C-N 3.3Å; R609-A611 PolarHBondContact O-N 3.08Å; R609-S612 VanDerWaalsContact CA-OG 3.31Å; R609-S612 WeakPolarHBondContact CA-OG 3.33Å; R609-S612 PolarHBondContact O-N 3.09Å; R609-S612 VanDerWaalsContact O-N 3.16Å; R609-S612 PolarHBondContact O-OG 2.94Å; R609-V613 WeakPolarHBondContact O-CG2 3.35Å; R609-V613 PolarHBondContact O-N 3.46Å; R609-E656 IonicContact NH1-OE1 3.64Å
610F94.6Very high92.4Very high8 Ų846.3 Ų46.34%0.03526%0.255CS..Hα-helixtrans-57.1-42.4178.6179.7-93.5000112.2Y584 L587 A588 Y591 A606 W607 G614 H657Y584-F610 AromaticContact CD2-CE2 3.71Å; Y584-F610 HydrophobicContact CD2-CE2 3.71Å; Y584-F610 AromaticContact CD2-CZ 3.78Å; Y584-F610 HydrophobicContact CD2-CZ 3.78Å; Y584-F610 HydrophobicContact CE1-CZ 4.5Å; Y584-F610 HydrophobicContact CE2-CD1 4.28Å; Y584-F610 AromaticContact CE2-CD2 3.85Å; Y584-F610 HydrophobicContact CE2-CD2 3.85Å; Y584-F610 AromaticContact CE2-CE1 3.79Å; Y584-F610 HydrophobicContact CE2-CE1 3.79Å; Y584-F610 AromaticContact CE2-CE2 3.32Å; Y584-F610 HydrophobicContact CE2-CE2 3.32Å; Y584-F610 HydrophobicContact CE2-CG 4.3Å; Y584-F610 AromaticContact CE2-CZ 3.28Å; Y584-F610 HydrophobicContact CE2-CZ 3.28Å; Y584-F610 AromaticContact CZ-CE1 3.75Å; Y584-F610 AromaticContact CZ-CZ 3.65Å; Y584-F610 WeakPolarHBondContact OH-CE1 3.17Å; Y584-F610 PolarHBondContact OH-O 3.49Å; L587-F610 HydrophobicContact CB-CZ 4.32Å; A588-F610 HydrophobicContact CB-CE1 3.91Å; A588-F610 HydrophobicContact CB-CZ 4.09Å; Y591-F610 HydrophobicContact CD2-CD1 4.33Å; Y591-F610 AromaticContact CD2-CE1 3.87Å; Y591-F610 HydrophobicContact CD2-CE1 3.87Å; Y591-F610 HydrophobicContact CD2-CE2 4.39Å; Y591-F610 AromaticContact CD2-CZ 3.91Å; Y591-F610 HydrophobicContact CD2-CZ 3.91Å; Y591-F610 HydrophobicContact CE2-CD2 4.48Å; Y591-F610 HydrophobicContact CE2-CE1 4.37Å; Y591-F610 HydrophobicContact CE2-CE2 4.09Å; Y591-F610 HydrophobicContact CE2-CZ 4.04Å; A606-F610 WeakPolarHBondContact O-CB 3.39Å; A606-F610 PolarHBondContact O-N 2.75Å; W607-F610 HydrophobicContact CE3-CD1 4.42Å; W607-F610 HydrophobicContact CZ3-CD1 4.17Å; W607-F610 PolarHBondContact O-N 2.81Å; F610-G614 PolarHBondContact O-N 2.98Å; F610-G614 VanDerWaalsContact O-N 3.08Å; F610-H657 AromaticContact CD2-CD2 3.93Å; F610-H657 AromaticContact CD2-CE1 3.7Å; F610-H657 AromaticContact CD2-CG 3.86Å; F610-H657 AromaticContact CD2-ND1 3.72Å; F610-H657 AromaticContact CD2-NE2 3.83Å
611A93.8Very high92.8Very high36 Ų3639 Ų3930%0.29823%0.228SC..Hα-helixtrans-68.9-39.517700000112.5W607 Q608 R609 G614 L615W607-A611 WeakPolarHBondContact O-CB 3.45Å; W607-A611 PolarHBondContact O-N 3.22Å; Q608-A611 PolarHBondContact O-N 3.2Å; R609-A611 VanDerWaalsContact C-N 3.3Å; R609-A611 PolarHBondContact O-N 3.08Å; A611-G614 PolarHBondContact O-N 2.92Å; A611-L615 VanDerWaalsContact O-CB 3.3Å; A611-L615 WeakPolarHBondContact O-CB 3.37Å; A611-L615 PolarHBondContact O-N 2.84Å
612S92.9Very high93.3Very high44 Ų4437 Ų3731%0.30822%0.22SC..Hα-helixtrans-65.8-38.6175.647.10000112.7Q608 R609 L616Q608-S612 PolarHBondContact O-N 3.18Å; Q608-S612 PolarHBondContact O-OG 2.85Å; R609-S612 VanDerWaalsContact CA-OG 3.31Å; R609-S612 WeakPolarHBondContact CA-OG 3.33Å; R609-S612 PolarHBondContact O-N 3.09Å; R609-S612 VanDerWaalsContact O-N 3.16Å; R609-S612 PolarHBondContact O-OG 2.94Å; S612-L616 WeakPolarHBondContact O-CB 3.47Å; S612-L616 PolarHBondContact O-N 2.95Å
613V95.3Very high93.6Very high8 Ų838.2 Ų38.25%0.04823%0.228CC..Hα-helixtrans-63-44.4174171.20000110.5L125 R609 C617 L650 A653L125-V613 HydrophobicContact CB-CG2 4.48Å; L125-V613 HydrophobicContact CD1-CG2 4.34Å; R609-V613 WeakPolarHBondContact O-CG2 3.35Å; R609-V613 PolarHBondContact O-N 3.46Å; V613-C617 VanDerWaalsContact O-CB 3.28Å; V613-C617 WeakPolarHBondContact O-CB 3.26Å; V613-C617 PolarHBondContact O-N 3.08Å; V613-L650 HydrophobicContact CG1-CD1 3.71Å; V613-A653 HydrophobicContact CG1-CB 3.83Å; V613-A653 HydrophobicContact CG2-CB 4.33Å
614G94.9Very high93.8Very high9 Ų934.3 Ų34.39%0.09320%0.203CC..Iπ-helixtrans-66-44.1176.700000114.2Y584 F610 A611 L616 G618 G619Y584-G614 WeakPolarHBondContact OH-CA 3.45Å; Y584-G614 PolarHBondContact OH-N 3.22Å; F610-G614 PolarHBondContact O-N 2.98Å; F610-G614 VanDerWaalsContact O-N 3.08Å; A611-G614 PolarHBondContact O-N 2.92Å; G614-L616 VanDerWaalsContact C-N 3.31Å; G614-L616 PolarHBondContact O-N 3.43Å; G614-G618 CarbonylContact O-C 3.47Å; G614-G618 WeakPolarHBondContact O-CA 3.37Å; G614-G618 PolarHBondContact O-N 3.19Å; G614-G619 PolarHBondContact O-N 3.32Å
615L94.6Very high94.2Very high67 Ų6730.5 Ų30.535%0.35118%0.182SC..Iπ-helixtrans-61-43178.8179.263.6000110.9V213 L216 A611 G619V213-L615 HydrophobicContact CG2-CD2 3.96Å; V213-L615 HydrophobicContact CG2-CG 4.06Å; L216-L615 HydrophobicContact CD1-CD1 4.34Å; L216-L615 HydrophobicContact CD1-CD2 3.65Å; A611-L615 VanDerWaalsContact O-CB 3.3Å; A611-L615 WeakPolarHBondContact O-CB 3.37Å; A611-L615 PolarHBondContact O-N 2.84Å; L615-G619 VanDerWaalsContact O-CA 3.29Å; L615-G619 WeakPolarHBondContact O-CA 3.19Å; L615-G619 PolarHBondContact O-N 3.38Å
616L94.7Very high94.5Very high9 Ų932.4 Ų32.45%0.04718%0.18CC..Iπ-helixtrans-76.5-56179.7-178.662.3000112.3L125 F166 L170 S612 G614 G620 Y646L125-L616 HydrophobicContact CD1-CD2 4.09Å; L125-L616 HydrophobicContact CD2-CD2 3.95Å; L125-L616 HydrophobicContact CG-CD2 4.31Å; F166-L616 HydrophobicContact CB-CD1 4.44Å; F166-L616 HydrophobicContact CD1-CD1 3.13Å; F166-L616 HydrophobicContact CD2-CD1 4.45Å; F166-L616 HydrophobicContact CE1-CD1 3.27Å; F166-L616 HydrophobicContact CG-CD1 3.78Å; F166-L616 HydrophobicContact CZ-CD1 4.03Å; L170-L616 HydrophobicContact CD1-CD2 3.94Å; S612-L616 WeakPolarHBondContact O-CB 3.47Å; S612-L616 PolarHBondContact O-N 2.95Å; G614-L616 VanDerWaalsContact C-N 3.31Å; G614-L616 PolarHBondContact O-N 3.43Å; L616-G620 VanDerWaalsContact O-CA 3.25Å; L616-G620 WeakPolarHBondContact O-CA 3.44Å; L616-G620 PolarHBondContact O-N 3.24Å; L616-Y646 HydrophobicContact CD1-CE1 4.21Å
617C95.9Very high94.7Very high0 Ų033 Ų330%018%0.183CC..Iπ-helixtrans-81.5-47.1-171.2-560000112V613 G620 W621 Y646 L650V613-C617 VanDerWaalsContact O-CB 3.28Å; V613-C617 WeakPolarHBondContact O-CB 3.26Å; V613-C617 PolarHBondContact O-N 3.08Å; C617-G620 PolarHBondContact O-N 2.89Å; C617-W621 PolarHBondContact O-N 3.14Å; C617-Y646 WeakPolarHBondContact CB-O 3.34Å; C617-Y646 WeakPolarHBondContact O-CB 3.19Å; C617-L650 HydrophobicContact CB-CB 3.79Å; C617-L650 HydrophobicContact CB-CD1 4.12Å; C617-L650 HydrophobicContact CB-CG 4.43Å
618G96.1Very high94.6Very high14 Ų1431.1 Ų31.114%0.14418%0.176CC..Iπ-helixtrans-69-42.6175.500000112.2G614 W621 A622G614-G618 CarbonylContact O-C 3.47Å; G614-G618 WeakPolarHBondContact O-CA 3.37Å; G614-G618 PolarHBondContact O-N 3.19Å; G618-W621 PolarHBondContact O-N 3.45Å; G618-A622 WeakPolarHBondContact O-CB 3.16Å; G618-A622 PolarHBondContact O-N 3.24Å
619G95.7Very high94.7Very high18 Ų1829.2 Ų29.219%0.18617%0.169CC..Hα-helixtrans-63.7-41172.100000112.4G614 L615 A622 V623G614-G619 PolarHBondContact O-N 3.32Å; L615-G619 VanDerWaalsContact O-CA 3.29Å; L615-G619 WeakPolarHBondContact O-CA 3.19Å; L615-G619 PolarHBondContact O-N 3.38Å; G619-A622 PolarHBondContact O-N 3.41Å; G619-V623 WeakPolarHBondContact O-CG1 3.02Å; G619-V623 WeakPolarHBondContact O-CG2 3.48Å; G619-V623 PolarHBondContact O-N 3.26Å
620G95.8Very high94.6Very high0 Ų032.1 Ų32.10%019%0.191CC..Hα-helixtrans-59.6-44.5175.200000112.9L209 L616 C617 N624L209-G620 VanDerWaalsContact CD2-CA 3.42Å; L209-G620 VanDerWaalsContact CD2-N 3.34Å; L616-G620 VanDerWaalsContact O-CA 3.25Å; L616-G620 WeakPolarHBondContact O-CA 3.44Å; L616-G620 PolarHBondContact O-N 3.24Å; C617-G620 PolarHBondContact O-N 2.89Å; G620-N624 WeakPolarHBondContact O-CB 3.44Å; G620-N624 PolarHBondContact O-N 3.44Å; G620-N624 PolarHBondContact O-ND2 3.12Å
621W96.8Very high94.2Very high31 Ų3135 Ų3512%0.11721%0.206CC..Hα-helixtrans-61-48.6171.4175.184.3000111.5L581 C617 G618 V623 N624 F625 Y640 L647L581-W621 HydrophobicContact CD1-CE3 4.46Å; L581-W621 HydrophobicContact CD2-CD2 3.57Å; L581-W621 HydrophobicContact CD2-CE3 3.79Å; L581-W621 HydrophobicContact CD2-CG 4.16Å; L581-W621 HydrophobicContact CD2-CH2 3.93Å; L581-W621 HydrophobicContact CD2-CZ2 3.71Å; L581-W621 HydrophobicContact CD2-CZ3 3.97Å; C617-W621 PolarHBondContact O-N 3.14Å; G618-W621 PolarHBondContact O-N 3.45Å; W621-V623 PolarHBondContact O-N 2.86Å; W621-N624 CarbonylContact O-C 3.52Å; W621-N624 PolarHBondContact O-N 2.83Å; W621-F625 HydrophobicContact CD2-CB 4.49Å; W621-F625 AromaticContact CH2-CD1 3.74Å; W621-F625 HydrophobicContact CH2-CD1 3.74Å; W621-F625 HydrophobicContact CH2-CE1 4.17Å; W621-F625 HydrophobicContact CZ2-CB 4.46Å; W621-F625 AromaticContact CZ2-CD1 3.52Å; W621-F625 HydrophobicContact CZ2-CD1 3.52Å; W621-F625 AromaticContact CZ2-CE1 3.95Å; W621-F625 HydrophobicContact CZ2-CE1 3.95Å; W621-F625 HydrophobicContact CZ2-CG 4.03Å; W621-F625 HydrophobicContact CZ3-CD1 4.49Å; W621-F625 WeakPolarHBondContact O-CB 3.48Å; W621-F625 PolarHBondContact O-N 3.32Å; W621-Y640 AromaticContact NE1-CE2 3.66Å; W621-Y640 AromaticContact NE1-CZ 3.8Å; W621-Y640 PolarHBondContact NE1-OH 3.31Å; W621-Y640 VanDerWaalsContact NE1-OH 3.11Å; W621-L647 HydrophobicContact CB-CD2 3.81Å; W621-L647 HydrophobicContact CB-CG 4.44Å; W621-L647 HydrophobicContact CG-CD2 3.74Å; W621-L647 HydrophobicContact CG-CG 4.21Å
622A96.4Very high93.5Very high26 Ų2642 Ų4222%0.21523%0.232CC..Hα-helixtrans-60.9-46.7-176.800000112.8G618 G619 N624 F625 L626G618-A622 WeakPolarHBondContact O-CB 3.16Å; G618-A622 PolarHBondContact O-N 3.24Å; G619-A622 PolarHBondContact O-N 3.41Å; A622-N624 VanDerWaalsContact C-N 3.3Å; A622-N624 PolarHBondContact O-N 3.04Å; A622-F625 PolarHBondContact O-N 3.43Å; A622-L626 HydrophobicContact CB-CD1 3.98Å; A622-L626 HydrophobicContact CB-CG 4.45Å; A622-L626 VanDerWaalsContact O-CB 3.28Å; A622-L626 WeakPolarHBondContact O-CB 3.42Å; A622-L626 WeakPolarHBondContact O-CG 3.4Å; A622-L626 PolarHBondContact O-N 3.07Å
623V95.5Very high92.9Very high39 Ų3943.8 Ų43.824%0.23623%0.232CC..Hα-helixtrans-70.8-25.3-179.3-59.40000113F205 L209 G619 W621 P627F205-V623 HydrophobicContact CB-CB 4.17Å; F205-V623 HydrophobicContact CB-CG2 4.47Å; F205-V623 VanDerWaalsContact CB-O 3.27Å; F205-V623 WeakPolarHBondContact CB-O 3.34Å; L209-V623 HydrophobicContact CB-CG1 4.33Å; L209-V623 HydrophobicContact CB-CG2 4.09Å; L209-V623 HydrophobicContact CD2-CG2 4.04Å; G619-V623 WeakPolarHBondContact O-CG1 3.02Å; G619-V623 WeakPolarHBondContact O-CG2 3.48Å; G619-V623 PolarHBondContact O-N 3.26Å; W621-V623 PolarHBondContact O-N 2.86Å; V623-P627 VanDerWaalsContact O-CD 3.25Å; V623-P627 WeakPolarHBondContact O-CD 3.31Å; V623-P627 VanDerWaalsContact O-CG 3.25Å; V623-P627 WeakPolarHBondContact O-CG 3.34Å
624N94.7Very high92.4Very high5 Ų545.2 Ų45.23%0.02724%0.241CC..Hα-helixtrans-95.10.2176.8-69.6-78.3000113.2S206 G620 W621 A622 F628 P642 A643 Y646S206-N624 PolarHBondContact OG-ND2 3.39Å; S206-N624 PolarHBondContact OG-OD1 3.1Å; S206-N624 VanDerWaalsContact OG-OD1 3.09Å; G620-N624 WeakPolarHBondContact O-CB 3.44Å; G620-N624 PolarHBondContact O-N 3.44Å; G620-N624 PolarHBondContact O-ND2 3.12Å; W621-N624 CarbonylContact O-C 3.52Å; W621-N624 PolarHBondContact O-N 2.83Å; A622-N624 VanDerWaalsContact C-N 3.3Å; A622-N624 PolarHBondContact O-N 3.04Å; N624-F628 WeakPolarHBondContact O-CD2 3.5Å; N624-F628 WeakPolarHBondContact O-CE2 3.28Å; N624-P642 HydrophobicContact CB-CB 4.43Å; N624-A643 HydrophobicContact CB-CB 3.83Å; N624-Y646 WeakPolarHBondContact ND2-CE2 3.26Å
625F95.4Very high92.2Very high5 Ų545.2 Ų45.22%0.02224%0.239CC..Hα-helixtrans-119.4-51.9179.3179.5-110.9000112.5P543 L544 W546 I547 W621 A622 P627 F628 L629 Y640 A643P543-F625 HydrophobicContact CB-CE2 4.17Å; P543-F625 HydrophobicContact CB-CZ 4.47Å; P543-F625 VanDerWaalsContact O-CE2 3.27Å; P543-F625 WeakPolarHBondContact O-CE2 3.44Å; L544-F625 HydrophobicContact CD2-CZ 4.49Å; W546-F625 HydrophobicContact CE3-CD2 4.27Å; W546-F625 HydrophobicContact CE3-CE2 4.12Å; I547-F625 HydrophobicContact CD1-CE1 3.99Å; I547-F625 HydrophobicContact CD1-CE2 4.43Å; I547-F625 HydrophobicContact CD1-CZ 3.64Å; I547-F625 HydrophobicContact CG1-CE2 4.15Å; I547-F625 HydrophobicContact CG1-CZ 3.85Å; W621-F625 HydrophobicContact CD2-CB 4.49Å; W621-F625 AromaticContact CH2-CD1 3.74Å; W621-F625 HydrophobicContact CH2-CD1 3.74Å; W621-F625 HydrophobicContact CH2-CE1 4.17Å; W621-F625 HydrophobicContact CZ2-CB 4.46Å; W621-F625 AromaticContact CZ2-CD1 3.52Å; W621-F625 HydrophobicContact CZ2-CD1 3.52Å; W621-F625 AromaticContact CZ2-CE1 3.95Å; W621-F625 HydrophobicContact CZ2-CE1 3.95Å; W621-F625 HydrophobicContact CZ2-CG 4.03Å; W621-F625 HydrophobicContact CZ3-CD1 4.49Å; W621-F625 WeakPolarHBondContact O-CB 3.48Å; W621-F625 PolarHBondContact O-N 3.32Å; A622-F625 PolarHBondContact O-N 3.43Å; F625-P627 VanDerWaalsContact C-CD 3.49Å; F625-F628 WeakPolarHBondContact O-CB 3.44Å; F625-F628 PolarHBondContact O-N 2.75Å; F625-L629 HydrophobicContact CE1-CD1 4.28Å; F625-Y640 AromaticContact CD2-CD2 3.71Å; F625-Y640 HydrophobicContact CD2-CD2 3.71Å; F625-Y640 AromaticContact CD2-CE2 3.67Å; F625-Y640 HydrophobicContact CD2-CE2 3.67Å; F625-Y640 HydrophobicContact CE2-CD2 4.21Å; F625-Y640 HydrophobicContact CE2-CE2 4.13Å; F625-Y640 HydrophobicContact CG-CE2 4.33Å; F625-A643 HydrophobicContact CB-CB 4.42Å
626L94.6Very high92.1Very high87 Ų8743 Ų4346%0.45523%0.226SC..G310 helixtrans-60.6-38.5-172.7-64.2176.8000114.5A622 F628 L629A622-L626 HydrophobicContact CB-CD1 3.98Å; A622-L626 HydrophobicContact CB-CG 4.45Å; A622-L626 VanDerWaalsContact O-CB 3.28Å; A622-L626 WeakPolarHBondContact O-CB 3.42Å; A622-L626 WeakPolarHBondContact O-CG 3.4Å; A622-L626 PolarHBondContact O-N 3.07Å; L626-F628 PolarHBondContact O-N 3.31Å; L626-L629 HydrophobicContact CD2-CD1 3.98Å; L626-L629 WeakPolarHBondContact O-CB 3.02Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-L629 VanDerWaalsContact O-N 3.13Å
627P93.6Very high92.1Very high27 Ų2742.6 Ų42.618%0.17522%0.224CC..G310 helixtrans-58.7-33.5178.8-2737000113.1F205 V623 F625 L629 L630 M631F205-P627 HydrophobicContact CD1-CG 3.97Å; F205-P627 HydrophobicContact CD2-CB 4.33Å; F205-P627 HydrophobicContact CD2-CG 4.09Å; F205-P627 HydrophobicContact CE1-CB 3.95Å; F205-P627 HydrophobicContact CE1-CG 3.89Å; F205-P627 HydrophobicContact CE2-CB 3.74Å; F205-P627 HydrophobicContact CE2-CG 4Å; F205-P627 HydrophobicContact CG-CG 4.08Å; F205-P627 HydrophobicContact CZ-CB 3.54Å; F205-P627 HydrophobicContact CZ-CG 3.9Å; V623-P627 VanDerWaalsContact O-CD 3.25Å; V623-P627 WeakPolarHBondContact O-CD 3.31Å; V623-P627 VanDerWaalsContact O-CG 3.25Å; V623-P627 WeakPolarHBondContact O-CG 3.34Å; F625-P627 VanDerWaalsContact C-CD 3.49Å; P627-L629 PolarHBondContact O-N 2.75Å; P627-L630 PolarHBondContact O-N 2.95Å; P627-M631 WeakPolarHBondContact O-CG 2.96Å; P627-M631 PolarHBondContact O-N 3.34Å
628F92.4Very high92Very high5 Ų543.3 Ų43.32%0.02223%0.227CC..G310 helixtrans-66.4-22.9-179.2-68.2-74.7000113.5T202 P543 W546 N624 F625 L626 L630 M631 L635 H639T202-F628 HydrophobicContact CG2-CE1 4.35Å; T202-F628 HydrophobicContact CG2-CZ 3.78Å; P543-F628 HydrophobicContact CB-CB 4.38Å; P543-F628 HydrophobicContact CG-CB 4.08Å; P543-F628 WeakPolarHBondContact CG-O 3.38Å; W546-F628 HydrophobicContact CH2-CB 3.87Å; W546-F628 HydrophobicContact CH2-CD1 4.14Å; W546-F628 HydrophobicContact CH2-CD2 4.49Å; W546-F628 AromaticContact CH2-CG 3.95Å; W546-F628 HydrophobicContact CH2-CG 3.95Å; W546-F628 HydrophobicContact CZ3-CB 3.83Å; W546-F628 HydrophobicContact CZ3-CD1 4.49Å; W546-F628 HydrophobicContact CZ3-CD2 4.04Å; W546-F628 AromaticContact CZ3-CG 3.89Å; W546-F628 HydrophobicContact CZ3-CG 3.89Å; N624-F628 WeakPolarHBondContact O-CD2 3.5Å; N624-F628 WeakPolarHBondContact O-CE2 3.28Å; F625-F628 WeakPolarHBondContact O-CB 3.44Å; F625-F628 PolarHBondContact O-N 2.75Å; L626-F628 PolarHBondContact O-N 3.31Å; F628-L630 PolarHBondContact O-N 3.08Å; F628-M631 HydrophobicContact CD1-SD 3.91Å; F628-M631 HydrophobicContact CE1-SD 4.29Å; F628-M631 PolarHBondContact O-N 2.6Å; F628-L635 HydrophobicContact CB-CD1 4.34Å; F628-L635 HydrophobicContact CD1-CD1 4.4Å; F628-L635 HydrophobicContact CD1-CD2 3.72Å; F628-L635 HydrophobicContact CE1-CD2 4.16Å; F628-H639 HydrophobicContact CE1-CB 3.89Å; F628-H639 AromaticContact CE1-CD2 3.69Å; F628-H639 AromaticContact CE1-CG 3.98Å; F628-H639 HydrophobicContact CE2-CB 4.39Å; F628-H639 HydrophobicContact CZ-CB 3.83Å; F628-H639 AromaticContact CZ-CD2 3.97Å
629L92.5Very high91.8Very high81 Ų8143.4 Ų43.442%0.42422%0.224SC..G310 helixtrans-67.9-21.6173.7-64.5169.9000112.7P543 L544 F625 L626 P627P543-L629 HydrophobicContact CB-CD2 3.75Å; P543-L629 HydrophobicContact CB-CG 4.43Å; P543-L629 HydrophobicContact CG-CD2 4.27Å; L544-L629 HydrophobicContact CD2-CD2 4.14Å; L544-L629 HydrophobicContact CG-CD2 4.17Å; F625-L629 HydrophobicContact CE1-CD1 4.28Å; L626-L629 HydrophobicContact CD2-CD1 3.98Å; L626-L629 WeakPolarHBondContact O-CB 3.02Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-L629 VanDerWaalsContact O-N 3.13Å; P627-L629 PolarHBondContact O-N 2.75Å
630L90.6Very high91.8Very high155 Ų15542.6 Ų42.681%0.81222%0.215SC*.G310 helixtrans-101.8-2.2-178.3-58.1174.9000112.6P627 F628P627-L630 PolarHBondContact O-N 2.95Å; F628-L630 PolarHBondContact O-N 3.08Å
631M85.4Confident91.8Very high70 Ų7042.6 Ų42.635%0.34522%0.215SC..  trans-93.5121.3-176.3-66.9-176100.800111P627 F628 R633P627-M631 WeakPolarHBondContact O-CG 2.96Å; P627-M631 PolarHBondContact O-N 3.34Å; F628-M631 HydrophobicContact CD1-SD 3.91Å; F628-M631 HydrophobicContact CE1-SD 4.29Å; F628-M631 PolarHBondContact O-N 2.6Å; M631-R633 HydrophobicContact CB-CG 4.29Å; M631-R633 VanDerWaalsContact CE-CZ 3.43Å; M631-R633 PolarHBondContact O-N 2.91Å; M631-R633 PolarHBondContact SD-NH2 3Å; M631-R633 VanDerWaalsContact SD-NH2 3.45Å
632E79.1Confident91.7Very high183 Ų18341.7 Ų41.786%0.85521%0.213SC*.  trans-89.774.8172.6-63.9175177.600110
633R80.7Confident91.7Very high81 Ų8140.4 Ų40.431%0.30620%0.203SC..SBendtrans-148.4168.1174.466.8177.3177.2179-1.3110.8M631 L635M631-R633 HydrophobicContact CB-CG 4.29Å; M631-R633 VanDerWaalsContact CE-CZ 3.43Å; M631-R633 PolarHBondContact O-N 2.91Å; M631-R633 PolarHBondContact SD-NH2 3Å; M631-R633 VanDerWaalsContact SD-NH2 3.45Å; R633-L635 HydrophobicContact CG-CD2 3.63Å; R633-L635 HydrophobicContact CG-CG 4.14Å; R633-L635 PolarHBondContact O-N 2.78Å
634T85.8Confident91.8Very high38 Ų3838.6 Ų38.623%0.23319%0.192CC..  trans-66.8126.9169.759.60000109.7E534E534-T634 HydrophobicContact CB-CG2 3.9Å; E534-T634 WeakPolarHBondContact OE2-CA 3.33Å; E534-T634 VanDerWaalsContact OE2-CB 3.23Å; E534-T634 WeakPolarHBondContact OE2-CB 3.44Å; E534-T634 WeakPolarHBondContact OE2-CG2 3.46Å; E534-T634 PolarHBondContact OE2-N 3.04Å; E534-T634 PolarHBondContact OE2-OG1 2.88Å
635L90.4Very high91.8Very high9 Ų938.4 Ų38.45%0.04719%0.191CC..  trans-124.6158.3-177.8-57.3168.5000110S540 S541 P543 W546 F628 R633S540-L635 CarbonylContact C-O 3.47Å; S540-L635 VanDerWaalsContact CA-O 3.27Å; S540-L635 WeakPolarHBondContact CA-O 3.27Å; S541-L635 PolarHBondContact N-O 2.85Å; P543-L635 HydrophobicContact CG-CD1 3.76Å; W546-L635 HydrophobicContact CH2-CB 4.01Å; W546-L635 HydrophobicContact CH2-CD1 3.97Å; W546-L635 HydrophobicContact CH2-CG 4.43Å; W546-L635 HydrophobicContact CZ2-CB 3.58Å; W546-L635 HydrophobicContact CZ2-CD1 4.17Å; W546-L635 HydrophobicContact CZ2-CG 4.43Å; F628-L635 HydrophobicContact CB-CD1 4.34Å; F628-L635 HydrophobicContact CD1-CD1 4.4Å; F628-L635 HydrophobicContact CD1-CD2 3.72Å; F628-L635 HydrophobicContact CE1-CD2 4.16Å; R633-L635 HydrophobicContact CG-CD2 3.63Å; R633-L635 HydrophobicContact CG-CG 4.14Å; R633-L635 PolarHBondContact O-N 2.78Å
636F92.3Very high91.9Very high20 Ų2038.4 Ų38.49%0.08819%0.191CC..  trans-140154.9-174-64.5-80.1000110.5F41 H537 Y539 I553 Y638 H639F41-F636 HydrophobicContact CE1-CE1 4.42Å; F41-F636 HydrophobicContact CZ-CE1 4.08Å; F41-F636 HydrophobicContact CZ-CZ 4.45Å; H537-F636 HydrophobicContact CB-CE1 4.28Å; H537-F636 HydrophobicContact CB-CZ 4.05Å; H537-F636 AromaticContact ND1-CE1 3.84Å; Y539-F636 WeakPolarHBondContact O-CD1 3.31Å; I553-F636 HydrophobicContact CD1-CB 3.88Å; I553-F636 HydrophobicContact CD1-CD1 3.99Å; I553-F636 HydrophobicContact CD1-CG 4.37Å; F636-Y638 HydrophobicContact CB-CD1 3.68Å; F636-Y638 HydrophobicContact CB-CD2 4.44Å; F636-Y638 HydrophobicContact CB-CE1 3.3Å; F636-Y638 HydrophobicContact CB-CE2 4.1Å; F636-Y638 HydrophobicContact CB-CG 4.25Å; F636-Y638 HydrophobicContact CD1-CE1 4.41Å; F636-Y638 AromaticContact CD2-CE1 3.97Å; F636-Y638 HydrophobicContact CD2-CE1 3.97Å; F636-Y638 AromaticContact CD2-CZ 3.64Å; F636-Y638 WeakPolarHBondContact CD2-OH 3.42Å; F636-Y638 HydrophobicContact CG-CD1 4.47Å; F636-Y638 AromaticContact CG-CE1 3.66Å; F636-Y638 HydrophobicContact CG-CE1 3.66Å; F636-Y638 AromaticContact CG-CZ 3.8Å; F636-Y638 PolarHBondContact O-N 3.14Å; F636-Y638 VanDerWaalsContact O-N 3.08Å; F636-H639 PolarHBondContact N-ND1 3.4Å; F636-H639 VanDerWaalsContact O-CB 3.32Å; F636-H639 WeakPolarHBondContact O-CB 3.41Å; F636-H639 PolarHBondContact O-N 2.73Å; F636-H639 PolarHBondContact O-ND1 2.75Å
637L93.5Very high92Very high0 Ų034.2 Ų34.20%017%0.169CC..G310 helixtrans-52.5-34.8-177.8-176.766.8000113.8S541 W546 M549 I553 L567 W574 H639 Y640S541-L637 PolarHBondContact OG-N 3.33Å; W546-L637 HydrophobicContact CB-CD1 4.04Å; W546-L637 HydrophobicContact CG-CD1 4.11Å; M549-L637 HydrophobicContact CG-CD2 4.49Å; I553-L637 HydrophobicContact CD1-CB 4.17Å; I553-L637 HydrophobicContact CG1-CB 4.5Å; L567-L637 HydrophobicContact CD2-CB 4.23Å; L567-L637 HydrophobicContact CD2-CD2 4.33Å; L567-L637 HydrophobicContact CD2-CG 4.47Å; L567-L637 HydrophobicContact CG-CD2 4.5Å; W574-L637 HydrophobicContact CH2-CD1 4.05Å; W574-L637 HydrophobicContact CH2-CG 4.4Å; W574-L637 HydrophobicContact CZ2-CD1 4.04Å; L637-H639 PolarHBondContact O-N 2.81Å; L637-H639 VanDerWaalsContact O-N 3.14Å; L637-Y640 WeakPolarHBondContact O-CB 3.4Å; L637-Y640 PolarHBondContact O-N 2.89Å
638Y93.8Very high92.2Very high15 Ų1533 Ų336%0.05916%0.161CC..G310 helixtrans-63.8-19.4-178.955.6-108.8000113.6D42 E155 I553 L567 F636 Y640 L641D42-Y638 WeakPolarHBondContact OD2-CE1 3.19Å; D42-Y638 PolarHBondContact OD2-OH 3.09Å; E155-Y638 HydrophobicContact CG-CD2 4.09Å; I553-Y638 HydrophobicContact CD1-CD1 3.99Å; I553-Y638 HydrophobicContact CD1-CE1 4.33Å; L567-Y638 HydrophobicContact CD2-CD1 4.28Å; F636-Y638 HydrophobicContact CB-CD1 3.68Å; F636-Y638 HydrophobicContact CB-CD2 4.44Å; F636-Y638 HydrophobicContact CB-CE1 3.3Å; F636-Y638 HydrophobicContact CB-CE2 4.1Å; F636-Y638 HydrophobicContact CB-CG 4.25Å; F636-Y638 HydrophobicContact CD1-CE1 4.41Å; F636-Y638 AromaticContact CD2-CE1 3.97Å; F636-Y638 HydrophobicContact CD2-CE1 3.97Å; F636-Y638 AromaticContact CD2-CZ 3.64Å; F636-Y638 WeakPolarHBondContact CD2-OH 3.42Å; F636-Y638 HydrophobicContact CG-CD1 4.47Å; F636-Y638 AromaticContact CG-CE1 3.66Å; F636-Y638 HydrophobicContact CG-CE1 3.66Å; F636-Y638 AromaticContact CG-CZ 3.8Å; F636-Y638 PolarHBondContact O-N 3.14Å; F636-Y638 VanDerWaalsContact O-N 3.08Å; Y638-Y640 PolarHBondContact O-N 2.75Å; Y638-L641 WeakPolarHBondContact O-CB 3.45Å; Y638-L641 WeakPolarHBondContact O-CG 3.26Å; Y638-L641 PolarHBondContact O-N 2.82Å
639H93.6Very high92.4Very high17 Ų1732.8 Ų32.88%0.07916%0.16CC..G310 helixtrans-64.3-23.8173.8-68.896.7000112.9W546 F628 F636 L637 P642W546-H639 HydrophobicContact CH2-CB 3.96Å; W546-H639 HydrophobicContact CZ2-CB 4.45Å; W546-H639 HydrophobicContact CZ3-CB 4.26Å; F628-H639 HydrophobicContact CE1-CB 3.89Å; F628-H639 AromaticContact CE1-CD2 3.69Å; F628-H639 AromaticContact CE1-CG 3.98Å; F628-H639 HydrophobicContact CE2-CB 4.39Å; F628-H639 HydrophobicContact CZ-CB 3.83Å; F628-H639 AromaticContact CZ-CD2 3.97Å; F636-H639 PolarHBondContact N-ND1 3.4Å; F636-H639 VanDerWaalsContact O-CB 3.32Å; F636-H639 WeakPolarHBondContact O-CB 3.41Å; F636-H639 PolarHBondContact O-N 2.73Å; F636-H639 PolarHBondContact O-ND1 2.75Å; L637-H639 PolarHBondContact O-N 2.81Å; L637-H639 VanDerWaalsContact O-N 3.14Å; H639-P642 WeakPolarHBondContact O-CD 3.35Å
640Y95.6Very high92.6Very high0 Ų028.9 Ų28.90%014%0.14CC..G310 helixtrans-80.7-18178.3-172-114000113.8W546 W574 N578 W621 F625 L637 Y638 A643 L644W546-Y640 HydrophobicContact CB-CD1 4.23Å; W546-Y640 HydrophobicContact CB-CD2 4.13Å; W546-Y640 HydrophobicContact CB-CG 3.82Å; W546-Y640 HydrophobicContact CE3-CD2 4.06Å; W546-Y640 HydrophobicContact CE3-CG 4.28Å; W574-Y640 AromaticContact CE2-CE1 3.82Å; W574-Y640 AromaticContact CH2-CD1 3.9Å; W574-Y640 HydrophobicContact CH2-CD1 3.9Å; W574-Y640 HydrophobicContact CH2-CE1 4.47Å; W574-Y640 AromaticContact CZ2-CD1 3.29Å; W574-Y640 HydrophobicContact CZ2-CD1 3.29Å; W574-Y640 AromaticContact CZ2-CE1 3.6Å; W574-Y640 HydrophobicContact CZ2-CE1 3.6Å; W574-Y640 HydrophobicContact CZ2-CG 4.45Å; W574-Y640 AromaticContact NE1-CE1 3.87Å; N578-Y640 PolarHBondContact OD1-OH 3.26Å; W621-Y640 AromaticContact NE1-CE2 3.66Å; W621-Y640 AromaticContact NE1-CZ 3.8Å; W621-Y640 PolarHBondContact NE1-OH 3.31Å; W621-Y640 VanDerWaalsContact NE1-OH 3.11Å; F625-Y640 AromaticContact CD2-CD2 3.71Å; F625-Y640 HydrophobicContact CD2-CD2 3.71Å; F625-Y640 AromaticContact CD2-CE2 3.67Å; F625-Y640 HydrophobicContact CD2-CE2 3.67Å; F625-Y640 HydrophobicContact CE2-CD2 4.21Å; F625-Y640 HydrophobicContact CE2-CE2 4.13Å; F625-Y640 HydrophobicContact CG-CE2 4.33Å; L637-Y640 WeakPolarHBondContact O-CB 3.4Å; L637-Y640 PolarHBondContact O-N 2.89Å; Y638-Y640 PolarHBondContact O-N 2.75Å; Y640-A643 HydrophobicContact CD2-CB 4.02Å; Y640-A643 HydrophobicContact CE2-CB 4.01Å; Y640-A643 WeakPolarHBondContact O-CB 3.22Å; Y640-A643 PolarHBondContact O-N 2.02Å; Y640-L644 HydrophobicContact CD1-CB 4.1Å; Y640-L644 HydrophobicContact CE1-CB 4.07Å; Y640-L644 HydrophobicContact CE1-CD1 4.1Å; Y640-L644 PolarHBondContact O-N 2.91Å
641L95.4Very high92.9Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-58.2-40.3-172.6-60.9175.7000114.2S144 L145 Q148 I159 W574 Y638 A643 L644 C645S144-L641 WeakPolarHBondContact OG-CD2 3.15Å; L145-L641 HydrophobicContact CD2-CB 3.99Å; L145-L641 HydrophobicContact CD2-CD1 4.42Å; L145-L641 HydrophobicContact CD2-CD2 4.22Å; L145-L641 HydrophobicContact CD2-CG 4.43Å; Q148-L641 HydrophobicContact CB-CD1 3.84Å; Q148-L641 HydrophobicContact CG-CD1 3.82Å; I159-L641 HydrophobicContact CD1-CB 4.01Å; W574-L641 HydrophobicContact CH2-CD2 4.36Å; W574-L641 HydrophobicContact CZ3-CD2 4.43Å; Y638-L641 WeakPolarHBondContact O-CB 3.45Å; Y638-L641 WeakPolarHBondContact O-CG 3.26Å; Y638-L641 PolarHBondContact O-N 2.82Å; L641-A643 VanDerWaalsContact C-N 3.33Å; L641-A643 PolarHBondContact O-N 3.45Å; L641-L644 HydrophobicContact CD2-CD2 4.19Å; L641-L644 WeakPolarHBondContact O-CB 3.4Å; L641-L644 PolarHBondContact O-N 3.16Å; L641-C645 PolarHBondContact O-N 2.85Å; L641-C645 PolarHBondContact O-SG 3.07Å; L641-C645 VanDerWaalsContact O-SG 3.39Å
642P95.3Very high93.4Very high12 Ų1219.2 Ų19.28%0.0789%0.092CC..Hα-helixtrans-59.7-41.1173.1-23.934.8000113L158 I159 N624 H639 C645 Y646L158-P642 HydrophobicContact CD2-CG 4.27Å; I159-P642 HydrophobicContact CD1-CG 4.4Å; I159-P642 HydrophobicContact CG1-CB 4.27Å; I159-P642 HydrophobicContact CG1-CG 4Å; N624-P642 HydrophobicContact CB-CB 4.43Å; H639-P642 WeakPolarHBondContact O-CD 3.35Å; P642-C645 PolarHBondContact O-N 2.84Å; P642-Y646 VanDerWaalsContact O-CD2 3.24Å; P642-Y646 WeakPolarHBondContact O-CD2 3.28Å
643A96.2Very high94.2Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-66.4-41177.600000111.3N624 F625 Y640 L641 C645 Y646 L647N624-A643 HydrophobicContact CB-CB 3.83Å; F625-A643 HydrophobicContact CB-CB 4.42Å; Y640-A643 HydrophobicContact CD2-CB 4.02Å; Y640-A643 HydrophobicContact CE2-CB 4.01Å; Y640-A643 WeakPolarHBondContact O-CB 3.22Å; Y640-A643 PolarHBondContact O-N 2.02Å; L641-A643 VanDerWaalsContact C-N 3.33Å; L641-A643 PolarHBondContact O-N 3.45Å; A643-C645 VanDerWaalsContact C-N 3.34Å; A643-C645 PolarHBondContact O-N 3.05Å; A643-Y646 PolarHBondContact O-N 2.94Å; A643-L647 PolarHBondContact O-N 3.16Å
644L96.1Very high94.9Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-61.1-39.4176.9-176.968.6000112.5W574 A577 Y640 L641 Y646 L647 Y648W574-L644 HydrophobicContact CD2-CD1 4.02Å; W574-L644 HydrophobicContact CD2-CD2 4.16Å; W574-L644 HydrophobicContact CE3-CD1 4.19Å; W574-L644 HydrophobicContact CE3-CD2 3.5Å; W574-L644 HydrophobicContact CE3-CG 4.49Å; W574-L644 HydrophobicContact CG-CD1 4.4Å; W574-L644 HydrophobicContact CH2-CD2 3.8Å; W574-L644 HydrophobicContact CZ2-CD2 4.41Å; W574-L644 HydrophobicContact CZ3-CD2 3.3Å; A577-L644 HydrophobicContact CB-CD1 4.26Å; Y640-L644 HydrophobicContact CD1-CB 4.1Å; Y640-L644 HydrophobicContact CE1-CB 4.07Å; Y640-L644 HydrophobicContact CE1-CD1 4.1Å; Y640-L644 PolarHBondContact O-N 2.91Å; L641-L644 HydrophobicContact CD2-CD2 4.19Å; L641-L644 WeakPolarHBondContact O-CB 3.4Å; L641-L644 PolarHBondContact O-N 3.16Å; L644-Y646 VanDerWaalsContact C-N 3.27Å; L644-Y646 PolarHBondContact O-N 3.37Å; L644-L647 WeakPolarHBondContact O-CA 3.37Å; L644-L647 WeakPolarHBondContact O-CB 3.47Å; L644-L647 PolarHBondContact O-N 2.71Å; L644-Y648 HydrophobicContact CD1-CE1 4.22Å; L644-Y648 HydrophobicContact CD1-CE2 4Å; L644-Y648 HydrophobicContact CD2-CE2 3.67Å; L644-Y648 WeakPolarHBondContact CD2-OH 3.4Å; L644-Y648 HydrophobicContact CG-CD2 4.12Å; L644-Y648 HydrophobicContact CG-CE2 3.43Å; L644-Y648 VanDerWaalsContact CG-CE2 3.43Å; L644-Y648 PolarHBondContact O-N 2.64Å
645C96.4Very high95.3Very high2 Ų28.3 Ų8.31%0.0144%0.044CC..Hα-helixtrans-56.6-40.9175.6-71.80000112.3L139 I159 L641 P642 A643 L647 Y648 L649L139-C645 HydrophobicContact CD2-CB 4.32Å; I159-C645 HydrophobicContact CG2-CB 4.4Å; L641-C645 PolarHBondContact O-N 2.85Å; L641-C645 PolarHBondContact O-SG 3.07Å; L641-C645 VanDerWaalsContact O-SG 3.39Å; P642-C645 PolarHBondContact O-N 2.84Å; A643-C645 VanDerWaalsContact C-N 3.34Å; A643-C645 PolarHBondContact O-N 3.05Å; C645-L647 VanDerWaalsContact C-N 3.31Å; C645-L647 PolarHBondContact O-N 3.41Å; C645-Y648 PolarHBondContact O-N 3.4Å; C645-L649 WeakPolarHBondContact O-CG 3.38Å; C645-L649 PolarHBondContact O-N 3.34Å
646Y96.7Very high95.5Very high4 Ų49.1 Ų9.12%0.0165%0.048CC..Hα-helixtrans-65.5-33.7175.2-73.4-75.1000112.8V162 F166 L616 C617 N624 P642 A643 L644 L649 L650V162-Y646 HydrophobicContact CG1-CE2 4.38Å; V162-Y646 WeakPolarHBondContact CG1-OH 3.37Å; F166-Y646 HydrophobicContact CD2-CE1 4.49Å; F166-Y646 VanDerWaalsContact CD2-OH 3.23Å; F166-Y646 WeakPolarHBondContact CD2-OH 3.32Å; F166-Y646 WeakPolarHBondContact CE2-OH 3.5Å; L616-Y646 HydrophobicContact CD1-CE1 4.21Å; C617-Y646 WeakPolarHBondContact CB-O 3.34Å; C617-Y646 WeakPolarHBondContact O-CB 3.19Å; N624-Y646 WeakPolarHBondContact ND2-CE2 3.26Å; P642-Y646 VanDerWaalsContact O-CD2 3.24Å; P642-Y646 WeakPolarHBondContact O-CD2 3.28Å; A643-Y646 PolarHBondContact O-N 2.94Å; L644-Y646 VanDerWaalsContact C-N 3.27Å; L644-Y646 PolarHBondContact O-N 3.37Å; Y646-L649 HydrophobicContact CD1-CD1 4.47Å; Y646-L649 WeakPolarHBondContact O-CB 3.4Å; Y646-L649 PolarHBondContact O-N 3.4Å; Y646-L650 PolarHBondContact O-N 3.41Å
647L96.8Very high95.6Very high0 Ų08.9 Ų8.90%05%0.047CC..Hα-helixtrans-68.2-37.5175.3-59.5-173000112.1A577 L581 W621 A643 L644 C645 L649 L650 S651A577-L647 HydrophobicContact CB-CB 3.78Å; A577-L647 HydrophobicContact CB-CD1 4.25Å; L581-L647 HydrophobicContact CB-CD2 3.98Å; L581-L647 HydrophobicContact CD1-CD2 3.93Å; L581-L647 HydrophobicContact CD2-CD2 4.06Å; L581-L647 HydrophobicContact CG-CD2 4.2Å; W621-L647 HydrophobicContact CB-CD2 3.81Å; W621-L647 HydrophobicContact CB-CG 4.44Å; W621-L647 HydrophobicContact CG-CD2 3.74Å; W621-L647 HydrophobicContact CG-CG 4.21Å; A643-L647 PolarHBondContact O-N 3.16Å; L644-L647 WeakPolarHBondContact O-CA 3.37Å; L644-L647 WeakPolarHBondContact O-CB 3.47Å; L644-L647 PolarHBondContact O-N 2.71Å; C645-L647 VanDerWaalsContact C-N 3.31Å; C645-L647 PolarHBondContact O-N 3.41Å; L647-L649 PolarHBondContact O-N 3.18Å; L647-L650 HydrophobicContact CD2-CD2 4.41Å; L647-L650 WeakPolarHBondContact O-CB 3.04Å; L647-L650 PolarHBondContact O-N 2.72Å; L647-S651 PolarHBondContact O-N 2.75Å; L647-S651 PolarHBondContact O-OG 3Å
648Y96.8Very high95.6Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-66.3-25.3173.7-65.7-39.9000113.6L138 L139 E142 L145 S573 A577 L644 C645 P652L138-Y648 HydrophobicContact CB-CD1 3.85Å; L138-Y648 HydrophobicContact CB-CG 3.97Å; L138-Y648 HydrophobicContact CD1-CD1 4.13Å; L138-Y648 HydrophobicContact CG-CD1 4.39Å; L139-Y648 HydrophobicContact CD2-CD2 3.79Å; L139-Y648 HydrophobicContact CD2-CG 4.45Å; L139-Y648 HydrophobicContact CG-CD2 4.49Å; E142-Y648 HydrophobicContact CB-CE2 4.17Å; E142-Y648 HydrophobicContact CG-CE2 3.79Å; E142-Y648 PolarHBondContact OE2-OH 2.79Å; L145-Y648 HydrophobicContact CD1-CE2 4.43Å; S573-Y648 PolarHBondContact OG-OH 2.9Å; A577-Y648 HydrophobicContact CB-CD1 4.05Å; A577-Y648 HydrophobicContact CB-CE1 3.85Å; L644-Y648 HydrophobicContact CD1-CE1 4.22Å; L644-Y648 HydrophobicContact CD1-CE2 4Å; L644-Y648 HydrophobicContact CD2-CE2 3.67Å; L644-Y648 WeakPolarHBondContact CD2-OH 3.4Å; L644-Y648 HydrophobicContact CG-CD2 4.12Å; L644-Y648 HydrophobicContact CG-CE2 3.43Å; L644-Y648 VanDerWaalsContact CG-CE2 3.43Å; L644-Y648 PolarHBondContact O-N 2.64Å; C645-Y648 PolarHBondContact O-N 3.4Å; Y648-P652 WeakPolarHBondContact O-CD 3.42Å
649L96.8Very high95.5Very high1 Ų113.5 Ų13.51%0.0057%0.07CC..Hα-helixtrans-74.2-37168-59.1177.8000111.5L121 I122 A135 L163 C645 Y646 L647L121-L649 HydrophobicContact CD1-CD1 4.03Å; I122-L649 HydrophobicContact CD1-CB 3.96Å; I122-L649 HydrophobicContact CD1-CD2 4.16Å; I122-L649 WeakPolarHBondContact CD1-O 3.25Å; I122-L649 HydrophobicContact CG1-CD2 4.07Å; A135-L649 HydrophobicContact CB-CD2 4.15Å; L163-L649 HydrophobicContact CD2-CD1 4.21Å; C645-L649 WeakPolarHBondContact O-CG 3.38Å; C645-L649 PolarHBondContact O-N 3.34Å; Y646-L649 HydrophobicContact CD1-CD1 4.47Å; Y646-L649 WeakPolarHBondContact O-CB 3.4Å; Y646-L649 PolarHBondContact O-N 3.4Å; L647-L649 PolarHBondContact O-N 3.18Å
650L97.3Very high95.3Very high0 Ų015.7 Ų15.70%09%0.085CC..Hα-helixtrans-67-46.4-179.5-176.360000113L581 Y584 V613 C617 Y646 L647 A653 L654L581-L650 HydrophobicContact CB-CD2 4.4Å; L581-L650 HydrophobicContact CD1-CD2 3.93Å; Y584-L650 HydrophobicContact CD2-CD1 3.77Å; Y584-L650 HydrophobicContact CE2-CD1 4.33Å; Y584-L650 HydrophobicContact CG-CD1 3.97Å; Y584-L650 HydrophobicContact CG-CD2 4.35Å; V613-L650 HydrophobicContact CG1-CD1 3.71Å; C617-L650 HydrophobicContact CB-CB 3.79Å; C617-L650 HydrophobicContact CB-CD1 4.12Å; C617-L650 HydrophobicContact CB-CG 4.43Å; Y646-L650 PolarHBondContact O-N 3.41Å; L647-L650 HydrophobicContact CD2-CD2 4.41Å; L647-L650 WeakPolarHBondContact O-CB 3.04Å; L647-L650 PolarHBondContact O-N 2.72Å; L650-A653 PolarHBondContact O-N 2.83Å; L650-L654 WeakPolarHBondContact O-CB 2.98Å; L650-L654 PolarHBondContact O-N 2.97Å
651S96.4Very high95Very high9 Ų919.6 Ų19.66%0.06310%0.103CC..Hα-helixtrans-53-55-172.5-55.70000114.4S580 L647 L654 L655S580-S651 WeakPolarHBondContact CB-OG 3.42Å; S580-S651 WeakPolarHBondContact OG-CB 3.49Å; S580-S651 PolarHBondContact OG-OG 3.45Å; L647-S651 PolarHBondContact O-N 2.75Å; L647-S651 PolarHBondContact O-OG 3Å; S651-L654 PolarHBondContact O-N 2.97Å; S651-L655 WeakPolarHBondContact O-CB 3.34Å; S651-L655 PolarHBondContact O-N 2.84Å
652P96.1Very high94.6Very high13 Ų1323.3 Ų23.38%0.08412%0.122CC..Hα-helixtrans-70.2-32.4179.128.1-34.5000112.8S131 A135 Y648 L655 E656S131-P652 VanDerWaalsContact O-CB 3.31Å; S131-P652 WeakPolarHBondContact O-CB 3.29Å; A135-P652 HydrophobicContact CB-CG 3.74Å; Y648-P652 WeakPolarHBondContact O-CD 3.42Å; P652-L655 WeakPolarHBondContact O-CB 3.31Å; P652-L655 PolarHBondContact O-N 2.98Å; P652-E656 PolarHBondContact O-N 2.77Å
653A95.6Very high94.3Very high6 Ų624.7 Ų24.75%0.0513%0.129CC..Hα-helixtrans-65.4-40176.100000111.8V613 L650 L655 H657V613-A653 HydrophobicContact CG1-CB 3.83Å; V613-A653 HydrophobicContact CG2-CB 4.33Å; L650-A653 PolarHBondContact O-N 2.83Å; A653-L655 VanDerWaalsContact C-N 3.35Å; A653-H657 PolarHBondContact O-N 2.89Å; A653-H657 VanDerWaalsContact O-N 3.14Å
654L95.7Very high93.6Very high7 Ų730 Ų304%0.03717%0.166CC..Hα-helixtrans-65.4-40.9172.9177.464000111.2S580 A583 Y584 L587 L650 S651 E656 H657 I658S580-L654 VanDerWaalsContact O-CD2 3.25Å; S580-L654 WeakPolarHBondContact O-CD2 3.5Å; A583-L654 HydrophobicContact CB-CD2 3.85Å; Y584-L654 HydrophobicContact CD2-CD1 4.29Å; L587-L654 HydrophobicContact CD1-CD1 3.78Å; L650-L654 WeakPolarHBondContact O-CB 2.98Å; L650-L654 PolarHBondContact O-N 2.97Å; S651-L654 PolarHBondContact O-N 2.97Å; L654-E656 VanDerWaalsContact C-N 3.34Å; L654-E656 PolarHBondContact O-N 3.42Å; L654-H657 WeakPolarHBondContact O-CB 3.28Å; L654-H657 PolarHBondContact O-N 3.02Å; L654-H657 VanDerWaalsContact O-N 3.12Å; L654-I658 HydrophobicContact CD1-CD1 4.22Å; L654-I658 HydrophobicContact CD1-CG1 4.3Å; L654-I658 HydrophobicContact CD2-CD1 4.44Å; L654-I658 HydrophobicContact CG-CD1 3.93Å; L654-I658 HydrophobicContact CG-CG1 4.42Å; L654-I658 WeakPolarHBondContact O-CG1 3.47Å; L654-I658 PolarHBondContact O-N 3.19Å
655L94.9Very high93.2Very high59 Ų5932.6 Ų32.631%0.30918%0.184SC..Hα-helixtrans-60.9-43.4178.7-166.5125.2000112.3S651 P652 A653 H657 I658 H659 T676S651-L655 WeakPolarHBondContact O-CB 3.34Å; S651-L655 PolarHBondContact O-N 2.84Å; P652-L655 WeakPolarHBondContact O-CB 3.31Å; P652-L655 PolarHBondContact O-N 2.98Å; A653-L655 VanDerWaalsContact C-N 3.35Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 2.62Å; L655-I658 PolarHBondContact O-N 3.15Å; L655-H659 WeakPolarHBondContact O-CB 3.49Å; L655-H659 PolarHBondContact O-N 2.85Å; L655-T676 HydrophobicContact CD1-CG2 3.14Å; L655-T676 HydrophobicContact CD2-CG2 3.81Å; L655-T676 HydrophobicContact CG-CG2 3.99Å
656E94.6Very high92.8Very high26 Ų2642 Ų4212%0.12122%0.219CC..Hα-helixtrans-59.7-43.3172.6-175.5176.4142.600111.5S128 S131 R609 P652 L654 I658 H659 T660S128-E656 WeakPolarHBondContact CB-OE2 3.24Å; S128-E656 PolarHBondContact N-OE1 3.46Å; S128-E656 PolarHBondContact N-OE2 3.02Å; S128-E656 PolarHBondContact OG-OE2 3.3Å; S131-E656 VanDerWaalsContact CB-OE2 3.25Å; S131-E656 WeakPolarHBondContact CB-OE2 3.28Å; S131-E656 WeakPolarHBondContact OG-CB 3.38Å; S131-E656 PolarHBondContact OG-OE2 3.21Å; R609-E656 IonicContact NH1-OE1 3.64Å; P652-E656 PolarHBondContact O-N 2.77Å; L654-E656 VanDerWaalsContact C-N 3.34Å; L654-E656 PolarHBondContact O-N 3.42Å; E656-I658 PolarHBondContact O-N 3.12Å; E656-H659 PolarHBondContact O-N 2.94Å; E656-T660 HydrophobicContact CG-CG2 4.32Å; E656-T660 WeakPolarHBondContact O-CB 3.22Å; E656-T660 WeakPolarHBondContact O-CG2 3.37Å; E656-T660 PolarHBondContact O-N 2.79Å; E656-T660 PolarHBondContact O-OG1 3.43Å
657H93.8Very high92.4Very high16 Ų1647.2 Ų47.27%0.07425%0.252CS..Hα-helixtrans-61-44.5177.8-170.683000112.1Y591 F610 A653 L654 L655 T660 H661Y591-H657 AromaticContact CE2-NE2 3.51Å; Y591-H657 AromaticContact CZ-NE2 3.66Å; Y591-H657 PolarHBondContact OH-NE2 3.18Å; F610-H657 AromaticContact CD2-CD2 3.93Å; F610-H657 AromaticContact CD2-CE1 3.7Å; F610-H657 AromaticContact CD2-CG 3.86Å; F610-H657 AromaticContact CD2-ND1 3.72Å; F610-H657 AromaticContact CD2-NE2 3.83Å; A653-H657 PolarHBondContact O-N 2.89Å; A653-H657 VanDerWaalsContact O-N 3.14Å; L654-H657 WeakPolarHBondContact O-CB 3.28Å; L654-H657 PolarHBondContact O-N 3.02Å; L654-H657 VanDerWaalsContact O-N 3.12Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 2.62Å; H657-T660 PolarHBondContact O-OG1 2.96Å; H657-H661 AromaticContact CE1-CD2 3.65Å; H657-H661 AromaticContact ND1-CD2 3.62Å; H657-H661 WeakPolarHBondContact O-CB 3.43Å; H657-H661 PolarHBondContact O-N 2.85Å
658I92.8Very high92Very high44 Ų4448.2 Ų48.223%0.22626%0.259CS..Iπ-helixtrans-64.3-46.5177.3-66.3169.1000110.4L587 L654 L655 E656 T660 L662 L663 L672L587-I658 HydrophobicContact CD1-CG1 4.37Å; L654-I658 HydrophobicContact CD1-CD1 4.22Å; L654-I658 HydrophobicContact CD1-CG1 4.3Å; L654-I658 HydrophobicContact CD2-CD1 4.44Å; L654-I658 HydrophobicContact CG-CD1 3.93Å; L654-I658 HydrophobicContact CG-CG1 4.42Å; L654-I658 WeakPolarHBondContact O-CG1 3.47Å; L654-I658 PolarHBondContact O-N 3.19Å; L655-I658 PolarHBondContact O-N 3.15Å; E656-I658 PolarHBondContact O-N 3.12Å; I658-T660 VanDerWaalsContact C-N 3.33Å; I658-T660 PolarHBondContact O-N 2.75Å; I658-L662 HydrophobicContact CG1-CD2 4.44Å; I658-L662 HydrophobicContact CG2-CB 4.27Å; I658-L662 HydrophobicContact CG2-CD2 4.46Å; I658-L662 WeakPolarHBondContact O-CB 3.33Å; I658-L662 PolarHBondContact O-N 3.14Å; I658-L662 VanDerWaalsContact O-N 3.11Å; I658-L663 HydrophobicContact CG2-CD1 4.32Å; I658-L663 HydrophobicContact CG2-CG 4.23Å; I658-L663 PolarHBondContact O-N 2.97Å; I658-L663 VanDerWaalsContact O-N 3.11Å; I658-L672 HydrophobicContact CG2-CD2 4.31Å
659H92.3Very high91.7Very high67 Ų6752.8 Ų52.831%0.3128%0.276SS..Iπ-helixtrans-60.5-41.5-179.6-178.286.3000112.7L655 E656 R669 L672L655-H659 WeakPolarHBondContact O-CB 3.49Å; L655-H659 PolarHBondContact O-N 2.85Å; E656-H659 PolarHBondContact O-N 2.94Å; H659-R669 PolarHBondContact O-NE 2.9Å; H659-L672 HydrophobicContact CB-CD2 3.9Å
660T89.8Confident91.3Very high64 Ų6457.9 Ų57.939%0.39330%0.299SS..Iπ-helixtrans-84.6-40.9-173.951.60000113.3E656 H657 I658E656-T660 HydrophobicContact CG-CG2 4.32Å; E656-T660 WeakPolarHBondContact O-CB 3.22Å; E656-T660 WeakPolarHBondContact O-CG2 3.37Å; E656-T660 PolarHBondContact O-N 2.79Å; E656-T660 PolarHBondContact O-OG1 3.43Å; H657-T660 PolarHBondContact O-OG1 2.96Å; I658-T660 VanDerWaalsContact C-N 3.33Å; I658-T660 PolarHBondContact O-N 2.75Å
661H88.8Confident91Very high81 Ų8163.8 Ų63.838%0.37533%0.329SS..Iπ-helixtrans-111.3-26.8-168.2-66.4-62.4000115.3L602 H657L602-H661 HydrophobicContact CD2-CB 3.67Å; H657-H661 AromaticContact CE1-CD2 3.65Å; H657-H661 AromaticContact ND1-CD2 3.62Å; H657-H661 WeakPolarHBondContact O-CB 3.43Å; H657-H661 PolarHBondContact O-N 2.85Å
662L87.8Confident90.8Very high79 Ų7965 Ų6541%0.41433%0.334SS..Iπ-helixtrans-91.9-41.3177.6-93.169.6000112.2L587 Y591 I658 S664L587-L662 HydrophobicContact CD2-CD2 3.99Å; Y591-L662 WeakPolarHBondContact OH-CD1 3.26Å; I658-L662 HydrophobicContact CG1-CD2 4.44Å; I658-L662 HydrophobicContact CG2-CB 4.27Å; I658-L662 HydrophobicContact CG2-CD2 4.46Å; I658-L662 WeakPolarHBondContact O-CB 3.33Å; I658-L662 PolarHBondContact O-N 3.14Å; I658-L662 VanDerWaalsContact O-N 3.11Å; L662-S664 PolarHBondContact O-N 2.82Å
663L88.4Confident90.5Very high40 Ų4066.6 Ų66.621%0.20935%0.349CS..  trans-89.6107.2-172.6-62.7-177.4000111.2I658 R669 L672I658-L663 HydrophobicContact CG2-CD1 4.32Å; I658-L663 HydrophobicContact CG2-CG 4.23Å; I658-L663 PolarHBondContact O-N 2.97Å; I658-L663 VanDerWaalsContact O-N 3.11Å; L663-R669 HydrophobicContact CB-CG 3.92Å; L663-R669 PolarHBondContact O-NE 3.4Å; L663-R669 PolarHBondContact O-NH2 3.3Å; L663-L672 HydrophobicContact CD1-CB 3.84Å; L663-L672 HydrophobicContact CD1-CD2 3.54Å; L663-L672 HydrophobicContact CD1-CG 4.26Å
664S80.9Confident90.4Very high112 Ų11271.3 Ų71.378%0.78338%0.376SS*.  trans-89.2-28.9177.1-168.70000113.6L662L662-S664 PolarHBondContact O-N 2.82Å
665S88.5Confident90.3Very high55 Ų5574.1 Ų74.139%0.38540%0.396SS..SBendtrans-87.8140-174.869.20000112.4T667 S668 R669S665-T667 VanDerWaalsContact C-N 3.28Å; S665-T667 PolarHBondContact O-N 3.2Å; S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 PolarHBondContact O-OG 3.3Å; S665-S668 WeakPolarHBondContact OG-CB 3.41Å; S665-S668 PolarHBondContact OG-N 2.76Å; S665-S668 PolarHBondContact OG-OG 2.77Å; S665-R669 PolarHBondContact O-N 3.35Å; S665-R669 VanDerWaalsContact O-N 3.13Å
666R87.8Confident90.2Very high199 Ų19972.9 Ų72.975%0.75139%0.391SS*.Hα-helixtrans-61.7-37.6179.2-171.8172.2178.91700.5112.2R669 H670R666-R669 PolarHBondContact O-N 2.88Å; R666-H670 PolarHBondContact NE-NE2 2.97Å; R666-H670 PolarHBondContact O-CD2 3.06Å; R666-H670 PolarHBondContact O-N 2.94Å
667T88.9Confident90.2Very high114 Ų11474.5 Ų74.570%0.69941%0.408SS*.Hα-helixtrans-62.1-45.9174.624.40000112.5S665 R669 H670 M671S665-T667 VanDerWaalsContact C-N 3.28Å; S665-T667 PolarHBondContact O-N 3.2Å; T667-R669 VanDerWaalsContact C-N 3.33Å; T667-R669 PolarHBondContact O-N 3.14Å; T667-H670 PolarHBondContact O-N 3.22Å; T667-M671 WeakPolarHBondContact O-CB 3.5Å; T667-M671 PolarHBondContact O-N 2.84Å
668S88.6Confident90.3Very high21 Ų2176.4 Ų76.415%0.14743%0.427CS..Hα-helixtrans-65.5-35.7177.9640000112.6S665 M671 L672S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 PolarHBondContact O-OG 3.3Å; S665-S668 WeakPolarHBondContact OG-CB 3.41Å; S665-S668 PolarHBondContact OG-N 2.76Å; S665-S668 PolarHBondContact OG-OG 2.77Å; S668-M671 PolarHBondContact O-N 2.59Å; S668-L672 WeakPolarHBondContact O-CB 3.39Å; S668-L672 PolarHBondContact O-N 3.5Å
669R89Confident90.4Very high95 Ų9576.9 Ų76.936%0.35843%0.432SS..Hα-helixtrans-65.6-43.4174-71.3-174.4-167.7167.44.5112.9H659 L663 S665 R666 T667 L672 A673H659-R669 PolarHBondContact O-NE 2.9Å; L663-R669 HydrophobicContact CB-CG 3.92Å; L663-R669 PolarHBondContact O-NE 3.4Å; L663-R669 PolarHBondContact O-NH2 3.3Å; S665-R669 PolarHBondContact O-N 3.35Å; S665-R669 VanDerWaalsContact O-N 3.13Å; R666-R669 PolarHBondContact O-N 2.88Å; T667-R669 VanDerWaalsContact C-N 3.33Å; T667-R669 PolarHBondContact O-N 3.14Å; R669-L672 PolarHBondContact O-N 3.48Å; R669-A673 PolarHBondContact O-N 2.94Å
670H89.6Confident90.5Very high108 Ų10876.9 Ų76.950%0.543%0.434SS..Hα-helixtrans-65.1-42174.6-77.8-61.8000111.5R666 T667 L672 A673 V674R666-H670 PolarHBondContact NE-NE2 2.97Å; R666-H670 PolarHBondContact O-CD2 3.06Å; R666-H670 PolarHBondContact O-N 2.94Å; T667-H670 PolarHBondContact O-N 3.22Å; H670-L672 PolarHBondContact O-N 3.01Å; H670-A673 PolarHBondContact O-N 3.32Å; H670-V674 WeakPolarHBondContact O-CG2 3.47Å; H670-V674 PolarHBondContact O-N 2.78Å
671M91.1Very high90.8Very high124 Ų12478.7 Ų78.761%0.61144%0.441SS*.Hα-helixtrans-60.2-46175.6-172.2-179.473.700111.3T667 S668 A673 V674 C675T667-M671 WeakPolarHBondContact O-CB 3.5Å; T667-M671 PolarHBondContact O-N 2.84Å; S668-M671 PolarHBondContact O-N 2.59Å; M671-A673 VanDerWaalsContact C-N 3.33Å; M671-A673 PolarHBondContact O-N 2.88Å; M671-V674 PolarHBondContact O-N 2.89Å; M671-C675 WeakPolarHBondContact O-CB 3.49Å; M671-C675 PolarHBondContact O-N 3.3Å; M671-C675 PolarHBondContact O-SG 3.27Å
672L91.7Very high91.2Very high36 Ų3676.9 Ų76.919%0.18844%0.437CS..Hα-helixtrans-58.4-45.6174.8-179.865000111.1I658 H659 L663 S668 R669 H670 V674 C675 T676I658-L672 HydrophobicContact CG2-CD2 4.31Å; H659-L672 HydrophobicContact CB-CD2 3.9Å; L663-L672 HydrophobicContact CD1-CB 3.84Å; L663-L672 HydrophobicContact CD1-CD2 3.54Å; L663-L672 HydrophobicContact CD1-CG 4.26Å; S668-L672 WeakPolarHBondContact O-CB 3.39Å; S668-L672 PolarHBondContact O-N 3.5Å; R669-L672 PolarHBondContact O-N 3.48Å; H670-L672 PolarHBondContact O-N 3.01Å; L672-V674 VanDerWaalsContact C-N 3.34Å; L672-V674 PolarHBondContact O-N 3.23Å; L672-C675 PolarHBondContact O-N 3.47Å; L672-T676 HydrophobicContact CD1-CG2 4.33Å; L672-T676 HydrophobicContact CG-CG2 4.44Å; L672-T676 WeakPolarHBondContact O-CG2 3.4Å; L672-T676 PolarHBondContact O-N 2.85Å; L672-T676 PolarHBondContact O-OG1 3.24Å
673A90.9Very high91.6Very high46 Ų4673.2 Ų73.238%0.3842%0.418SS..Hα-helixtrans-59.8-43.5178.300000112.2R669 H670 M671 T676 A677R669-A673 PolarHBondContact O-N 2.94Å; H670-A673 PolarHBondContact O-N 3.32Å; M671-A673 VanDerWaalsContact C-N 3.33Å; M671-A673 PolarHBondContact O-N 2.88Å; A673-T676 VanDerWaalsContact C-OG1 3.32Å; A673-T676 WeakPolarHBondContact CA-OG1 3.44Å; A673-T676 PolarHBondContact O-N 2.91Å; A673-T676 PolarHBondContact O-OG1 2.88Å; A673-A677 PolarHBondContact O-N 2.85Å
674V93.2Very high92Very high104 Ų10475.7 Ų75.763%0.6343%0.427SS*.Hα-helixtrans-63.3-45.7175.2173.50000110.9H670 M671 L672 T676 A677 A678H670-V674 WeakPolarHBondContact O-CG2 3.47Å; H670-V674 PolarHBondContact O-N 2.78Å; M671-V674 PolarHBondContact O-N 2.89Å; L672-V674 VanDerWaalsContact C-N 3.34Å; L672-V674 PolarHBondContact O-N 3.23Å; V674-T676 VanDerWaalsContact C-N 3.31Å; V674-T676 PolarHBondContact O-N 2.79Å; V674-A677 PolarHBondContact O-N 3.28Å; V674-A678 PolarHBondContact O-N 2.59Å
675C93.3Very high92.7Very high66 Ų6674.9 Ų74.945%0.44641%0.413SS..Hα-helixtrans-59-41.9175.2-68.20000111.6M671 L672 A678 V679M671-C675 WeakPolarHBondContact O-CB 3.49Å; M671-C675 PolarHBondContact O-N 3.3Å; M671-C675 PolarHBondContact O-SG 3.27Å; L672-C675 PolarHBondContact O-N 3.47Å; C675-A678 PolarHBondContact O-N 2.98Å; C675-V679 VanDerWaalsContact O-CG2 3.32Å; C675-V679 WeakPolarHBondContact O-CG2 3.49Å; C675-V679 PolarHBondContact O-N 3.46Å
676T93.1Very high93.1Very high34 Ų3472.4 Ų72.421%0.20940%0.396CS..Hα-helixtrans-65.8-39.8177.552.60000113.2L655 L672 A673 V674 A678 V679 L680L655-T676 HydrophobicContact CD1-CG2 3.14Å; L655-T676 HydrophobicContact CD2-CG2 3.81Å; L655-T676 HydrophobicContact CG-CG2 3.99Å; L672-T676 HydrophobicContact CD1-CG2 4.33Å; L672-T676 HydrophobicContact CG-CG2 4.44Å; L672-T676 WeakPolarHBondContact O-CG2 3.4Å; L672-T676 PolarHBondContact O-N 2.85Å; L672-T676 PolarHBondContact O-OG1 3.24Å; A673-T676 VanDerWaalsContact C-OG1 3.32Å; A673-T676 WeakPolarHBondContact CA-OG1 3.44Å; A673-T676 PolarHBondContact O-N 2.91Å; A673-T676 PolarHBondContact O-OG1 2.88Å; V674-T676 VanDerWaalsContact C-N 3.31Å; V674-T676 PolarHBondContact O-N 2.79Å; T676-A678 VanDerWaalsContact C-N 3.33Å; T676-V679 PolarHBondContact O-N 3.11Å; T676-L680 WeakPolarHBondContact O-CB 3.45Å; T676-L680 WeakPolarHBondContact O-CG 3.4Å; T676-L680 PolarHBondContact O-N 2.76Å
677A93.6Very high93.5Very high59 Ų5963.9 Ų63.949%0.48836%0.364SS..Hα-helixtrans-64.4-41.1175.400000111A673 V674 L680 L681A673-A677 PolarHBondContact O-N 2.85Å; V674-A677 PolarHBondContact O-N 3.28Å; A677-L680 PolarHBondContact O-N 2.8Å; A677-L681 WeakPolarHBondContact O-CB 3.21Å; A677-L681 PolarHBondContact O-N 2.88Å
678A95.5Very high93.8Very high57 Ų5766.7 Ų66.747%0.47136%0.362SS..Hα-helixtrans-63.3-42.5174.900000112.2V674 C675 T676 L681 S682V674-A678 PolarHBondContact O-N 2.59Å; C675-A678 PolarHBondContact O-N 2.98Å; T676-A678 VanDerWaalsContact C-N 3.33Å; A678-L681 PolarHBondContact O-N 2.9Å; A678-S682 PolarHBondContact O-N 3.02Å; A678-S682 PolarHBondContact O-OG 2.83Å
679V95.5Very high94.1Very high54 Ų5468.3 Ų68.333%0.32737%0.371SS..Hα-helixtrans-63-47.3175.2170.50000110.8V576 C675 T676 L681 S682 I683V576-V679 HydrophobicContact CG2-CG1 3.77Å; C675-V679 VanDerWaalsContact O-CG2 3.32Å; C675-V679 WeakPolarHBondContact O-CG2 3.49Å; C675-V679 PolarHBondContact O-N 3.46Å; T676-V679 PolarHBondContact O-N 3.11Å; V679-L681 VanDerWaalsContact C-N 3.31Å; V679-L681 PolarHBondContact O-N 3.06Å; V679-S682 WeakPolarHBondContact CA-OG 3.14Å; V679-S682 PolarHBondContact O-N 2.86Å; V679-S682 VanDerWaalsContact O-N 3.13Å; V679-S682 PolarHBondContact O-OG 3.16Å; V679-I683 HydrophobicContact CG1-CD1 3.86Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 VanDerWaalsContact O-CG1 3.3Å; V679-I683 WeakPolarHBondContact O-CG1 3.5Å; V679-I683 PolarHBondContact O-N 3.26Å
680L95.1Very high94.3Very high66 Ų6663.9 Ų63.935%0.34635%0.354SS..Hα-helixtrans-62.4-38.2177.4-70.8168.4000112.3T676 A677 I683 F684T676-L680 WeakPolarHBondContact O-CB 3.45Å; T676-L680 WeakPolarHBondContact O-CG 3.4Å; T676-L680 PolarHBondContact O-N 2.76Å; A677-L680 PolarHBondContact O-N 2.8Å; L680-I683 HydrophobicContact CD2-CD1 4.46Å; L680-I683 PolarHBondContact O-N 3.5Å; L680-F684 PolarHBondContact O-N 2.87Å
681L96.1Very high94.5Very high103 Ų10360 Ų6054%0.53934%0.339SS..Hα-helixtrans-62.7-44.5172.8-179.563000111.2A677 A678 V679 I683 F684 L685A677-L681 WeakPolarHBondContact O-CB 3.21Å; A677-L681 PolarHBondContact O-N 2.88Å; A678-L681 PolarHBondContact O-N 2.9Å; V679-L681 VanDerWaalsContact C-N 3.31Å; V679-L681 PolarHBondContact O-N 3.06Å; L681-I683 VanDerWaalsContact C-N 3.3Å; L681-I683 PolarHBondContact O-N 2.72Å; L681-F684 PolarHBondContact O-N 3.27Å; L681-L685 HydrophobicContact CD1-CG 4.44Å; L681-L685 HydrophobicContact CG-CD1 4.21Å; L681-L685 HydrophobicContact CG-CG 4.49Å; L681-L685 WeakPolarHBondContact O-CG 3.41Å; L681-L685 PolarHBondContact O-N 3.14Å
682S96.6Very high94.6Very high42 Ų4255 Ų5529%0.29432%0.316SS..Hα-helixtrans-64.1-34.617769.80000112.8V572 A678 V679 L685 S686V572-S682 WeakPolarHBondContact CG1-OG 3.14Å; A678-S682 PolarHBondContact O-N 3.02Å; A678-S682 PolarHBondContact O-OG 2.83Å; V679-S682 WeakPolarHBondContact CA-OG 3.14Å; V679-S682 PolarHBondContact O-N 2.86Å; V679-S682 VanDerWaalsContact O-N 3.13Å; V679-S682 PolarHBondContact O-OG 3.16Å; S682-L685 PolarHBondContact O-N 3.42Å; S682-S686 VanDerWaalsContact O-CB 3.29Å; S682-S686 WeakPolarHBondContact O-CB 3.44Å; S682-S686 PolarHBondContact O-N 2.8Å
683I96.6Very high94.7Very high2 Ų253.4 Ų53.41%0.0131%0.308CS..Hα-helixtrans-64.9-45.2173.1-69.3166.4000110.2L138 L141 N570 V572 V679 L680 L681 S686 Y687L138-I683 HydrophobicContact CD2-CD1 3.63Å; L141-I683 HydrophobicContact CB-CG2 4.16Å; L141-I683 HydrophobicContact CD1-CG2 4.19Å; N570-I683 PolarHBondContact ND2-O 3.03Å; V572-I683 HydrophobicContact CB-CG1 4.09Å; V572-I683 HydrophobicContact CG1-CG1 3.68Å; V679-I683 HydrophobicContact CG1-CD1 3.86Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 VanDerWaalsContact O-CG1 3.3Å; V679-I683 WeakPolarHBondContact O-CG1 3.5Å; V679-I683 PolarHBondContact O-N 3.26Å; L680-I683 HydrophobicContact CD2-CD1 4.46Å; L680-I683 PolarHBondContact O-N 3.5Å; L681-I683 VanDerWaalsContact C-N 3.3Å; L681-I683 PolarHBondContact O-N 2.72Å; I683-S686 PolarHBondContact O-N 3.34Å; I683-Y687 WeakPolarHBondContact O-CB 3.2Å; I683-Y687 PolarHBondContact O-N 2.56Å
684F96.6Very high94.8Very high92 Ų9251.3 Ų51.340%0.40429%0.29SS..Hα-helixtrans-63.1-44.5176.5175.2-99.1000112.3L141 L680 L681 S686 Y687 W688L141-F684 HydrophobicContact CD1-CB 4.35Å; L141-F684 HydrophobicContact CD1-CD2 4.5Å; L141-F684 HydrophobicContact CD2-CD2 4.31Å; L680-F684 PolarHBondContact O-N 2.87Å; L681-F684 PolarHBondContact O-N 3.27Å; F684-S686 VanDerWaalsContact C-N 3.33Å; F684-S686 PolarHBondContact O-N 3.44Å; F684-Y687 WeakPolarHBondContact O-CB 3.39Å; F684-Y687 PolarHBondContact O-N 3.4Å; F684-W688 WeakPolarHBondContact O-CB 3.31Å; F684-W688 PolarHBondContact O-N 3.5Å
685L96.4Very high94.8Very high95 Ų9547.8 Ų47.850%0.49727%0.265SS..Hα-helixtrans-61.7-42.8175.5-69.9173.8000111L681 S682 W688 T689L681-L685 HydrophobicContact CD1-CG 4.44Å; L681-L685 HydrophobicContact CG-CD1 4.21Å; L681-L685 HydrophobicContact CG-CG 4.49Å; L681-L685 WeakPolarHBondContact O-CG 3.41Å; L681-L685 PolarHBondContact O-N 3.14Å; S682-L685 PolarHBondContact O-N 3.42Å; L685-W688 PolarHBondContact O-N 2.86Å; L685-T689 WeakPolarHBondContact O-CG2 3.44Å; L685-T689 PolarHBondContact O-N 3.04Å; L685-T689 PolarHBondContact O-OG1 3.05Å
686S95.9Very high94.7Very high3 Ų344.7 Ų44.72%0.02125%0.245CC..Hα-helixtrans-62.8-46.8176-172.70000111.7N570 P571 S682 I683 F684 W688 T689 F690N570-S686 WeakPolarHBondContact OD1-CB 3.14Å; N570-S686 PolarHBondContact OD1-OG 2.86Å; P571-S686 WeakPolarHBondContact CD-OG 3.32Å; S682-S686 VanDerWaalsContact O-CB 3.29Å; S682-S686 WeakPolarHBondContact O-CB 3.44Å; S682-S686 PolarHBondContact O-N 2.8Å; I683-S686 PolarHBondContact O-N 3.34Å; F684-S686 VanDerWaalsContact C-N 3.33Å; F684-S686 PolarHBondContact O-N 3.44Å; S686-W688 VanDerWaalsContact C-N 3.3Å; S686-W688 PolarHBondContact O-N 3.29Å; S686-T689 WeakPolarHBondContact CA-OG1 3.3Å; S686-T689 PolarHBondContact O-N 3.47Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-T689 PolarHBondContact O-OG1 3.06Å; S686-F690 VanDerWaalsContact O-CD2 3.3Å; S686-F690 WeakPolarHBondContact O-CD2 3.36Å; S686-F690 PolarHBondContact O-N 3.47Å
687Y95.9Very high94.5Very high21 Ų2148 Ų488%0.08226%0.262CS..Hα-helixtrans-52.6-49.4172.3166.5-100.1000111.3L141 N143 I146 N570 I683 F684 T689 F690 C691 Y695L141-Y687 HydrophobicContact CB-CG 4.35Å; L141-Y687 HydrophobicContact CD2-CD1 3.86Å; L141-Y687 HydrophobicContact CD2-CD2 4.48Å; L141-Y687 HydrophobicContact CD2-CE1 4.25Å; L141-Y687 HydrophobicContact CD2-CG 3.99Å; N143-Y687 WeakPolarHBondContact OD1-CD2 3.43Å; I146-Y687 HydrophobicContact CD1-CD2 4.37Å; I146-Y687 HydrophobicContact CD1-CE2 3.58Å; N570-Y687 PolarHBondContact ND2-N 3.47Å; I683-Y687 WeakPolarHBondContact O-CB 3.2Å; I683-Y687 PolarHBondContact O-N 2.56Å; F684-Y687 WeakPolarHBondContact O-CB 3.39Å; F684-Y687 PolarHBondContact O-N 3.4Å; Y687-T689 PolarHBondContact O-N 3.27Å; Y687-F690 PolarHBondContact O-N 3.19Å; Y687-C691 WeakPolarHBondContact O-CB 3.3Å; Y687-C691 PolarHBondContact O-N 2.96Å; Y687-Y695 PolarHBondContact OH-OH 2.52Å; Y687-Y695 VanDerWaalsContact OH-OH 3.12Å
688W94.9Very high94.3Very high173 Ų17349 Ų4966%0.65526%0.262SS*.Hα-helixtrans-60.7-42.3179.1-173.2-94.7000112.7F684 L685 S686 F690 C691F684-W688 WeakPolarHBondContact O-CB 3.31Å; F684-W688 PolarHBondContact O-N 3.5Å; L685-W688 PolarHBondContact O-N 2.86Å; S686-W688 VanDerWaalsContact C-N 3.3Å; S686-W688 PolarHBondContact O-N 3.29Å; W688-F690 PolarHBondContact O-N 2.94Å; W688-C691 VanDerWaalsContact O-CB 3.25Å; W688-C691 WeakPolarHBondContact O-CB 3.47Å; W688-C691 PolarHBondContact O-N 3.03Å
689T94.8Very high94Very high54 Ų5450.1 Ų50.133%0.33126%0.258SS..Hα-helixtrans-64.9-36.7178.553.20000113.4L685 S686 Y687 P692 L708L685-T689 WeakPolarHBondContact O-CG2 3.44Å; L685-T689 PolarHBondContact O-N 3.04Å; L685-T689 PolarHBondContact O-OG1 3.05Å; S686-T689 WeakPolarHBondContact CA-OG1 3.3Å; S686-T689 PolarHBondContact O-N 3.47Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-T689 PolarHBondContact O-OG1 3.06Å; Y687-T689 PolarHBondContact O-N 3.27Å; T689-P692 WeakPolarHBondContact O-CD 3.48Å; T689-L708 WeakPolarHBondContact O-CD2 3.1Å
690F94.3Very high93.7Very high2 Ų248.6 Ų48.61%0.00925%0.248CC..Hα-helixtrans-92-4.1180-73.2-77.8000113.5N143 I568 P571 S686 Y687 W688 P692 L693 T694 L708 W710 W714N143-F690 WeakPolarHBondContact ND2-CB 3.4Å; I568-F690 HydrophobicContact CG2-CD1 4.28Å; I568-F690 HydrophobicContact CG2-CE1 4.33Å; P571-F690 HydrophobicContact CG-CE2 3.88Å; P571-F690 HydrophobicContact CG-CZ 4.2Å; S686-F690 VanDerWaalsContact O-CD2 3.3Å; S686-F690 WeakPolarHBondContact O-CD2 3.36Å; S686-F690 PolarHBondContact O-N 3.47Å; Y687-F690 PolarHBondContact O-N 3.19Å; W688-F690 PolarHBondContact O-N 2.94Å; F690-P692 VanDerWaalsContact C-CD 3.47Å; F690-L693 HydrophobicContact CD1-CD1 4.11Å; F690-L693 PolarHBondContact O-N 3.47Å; F690-T694 PolarHBondContact O-N 3.15Å; F690-T694 PolarHBondContact O-OG1 2.96Å; F690-L708 HydrophobicContact CE1-CD2 4.47Å; F690-W710 HydrophobicContact CE2-CD2 4.05Å; F690-W710 AromaticContact CE2-CE2 3.99Å; F690-W710 HydrophobicContact CE2-CE3 4.01Å; F690-W710 AromaticContact CE2-CH2 3.92Å; F690-W710 HydrophobicContact CE2-CH2 3.92Å; F690-W710 AromaticContact CE2-CZ2 3.94Å; F690-W710 HydrophobicContact CE2-CZ2 3.94Å; F690-W710 AromaticContact CE2-CZ3 3.96Å; F690-W710 HydrophobicContact CE2-CZ3 3.96Å; F690-W710 AromaticContact CZ-CD2 3.83Å; F690-W710 HydrophobicContact CZ-CD2 3.83Å; F690-W710 AromaticContact CZ-CE2 3.95Å; F690-W710 HydrophobicContact CZ-CE3 4.13Å; F690-W710 HydrophobicContact CZ-CG 4.17Å; F690-W710 HydrophobicContact CZ-CZ2 4.36Å; F690-W714 AromaticContact CE1-CZ3 3.82Å; F690-W714 HydrophobicContact CE1-CZ3 3.82Å; F690-W714 HydrophobicContact CZ-CH2 4.17Å; F690-W714 AromaticContact CZ-CZ3 3.72Å; F690-W714 HydrophobicContact CZ-CZ3 3.72Å
691C93.4Very high93.4Very high26 Ų2649.2 Ų49.218%0.17625%0.254CS..Hα-helixtrans-52.4-43.7177.5-174.60000112.9Y687 W688 L693 T694 Y695Y687-C691 WeakPolarHBondContact O-CB 3.3Å; Y687-C691 PolarHBondContact O-N 2.96Å; W688-C691 VanDerWaalsContact O-CB 3.25Å; W688-C691 WeakPolarHBondContact O-CB 3.47Å; W688-C691 PolarHBondContact O-N 3.03Å; C691-L693 VanDerWaalsContact C-N 3.29Å; C691-L693 PolarHBondContact O-N 3.42Å; C691-T694 WeakPolarHBondContact O-CB 3.4Å; C691-T694 PolarHBondContact O-N 2.67Å; C691-Y695 WeakPolarHBondContact O-CD2 3.41Å; C691-Y695 PolarHBondContact O-N 3Å; C691-Y695 WeakPolarHBondContact SG-CD2 3.17Å; C691-Y695 WeakPolarHBondContact SG-CE2 3.4Å
692P93.4Very high93.1Very high19 Ų1945.1 Ų45.112%0.12324%0.235CC..Hα-helixtrans-60.9-34.1176.4-23.234.6000113.8T689 F690 T694 G696 N697 L700T689-P692 WeakPolarHBondContact O-CD 3.48Å; F690-P692 VanDerWaalsContact C-CD 3.47Å; P692-T694 VanDerWaalsContact C-N 3.33Å; P692-G696 CarbonylContact O-C 3.2Å; P692-G696 WeakPolarHBondContact O-CA 3.1Å; P692-G696 PolarHBondContact O-N 3.24Å; P692-N697 PolarHBondContact O-N 3.38Å; P692-L700 HydrophobicContact CB-CD1 3.67Å; P692-L700 HydrophobicContact CB-CD2 4.29Å; P692-L700 HydrophobicContact CB-CG 3.94Å; P692-L700 HydrophobicContact CG-CD1 4.11Å; P692-L700 HydrophobicContact CG-CD2 4.28Å; P692-L700 HydrophobicContact CG-CG 4.43Å
693L92.9Very high92.7Very high4 Ų449.2 Ų49.22%0.02125%0.254CS..Hα-helixtrans-79.5-16.2175.4-63.9178.8000113Q564 I565 H566 I568 F690 C691 L705 L708 I716Q564-L693 HydrophobicContact CG-CD2 3.62Å; I565-L693 VanDerWaalsContact CA-O 3.27Å; I565-L693 WeakPolarHBondContact CA-O 3.18Å; H566-L693 PolarHBondContact N-O 3.31Å; I568-L693 HydrophobicContact CD1-CD1 4.24Å; F690-L693 HydrophobicContact CD1-CD1 4.11Å; F690-L693 PolarHBondContact O-N 3.47Å; C691-L693 VanDerWaalsContact C-N 3.29Å; C691-L693 PolarHBondContact O-N 3.42Å; L693-L705 HydrophobicContact CD2-CD2 3.96Å; L693-L708 HydrophobicContact CD1-CB 4.23Å; L693-L708 HydrophobicContact CD1-CD1 3.79Å; L693-L708 HydrophobicContact CG-CD1 3.98Å; L693-I716 HydrophobicContact CD1-CD1 4.13Å
694T93.9Very high92.5Very high2 Ų253.7 Ų53.71%0.01228%0.275CS..Hα-helixtrans-85.6-44.4177.8-59.60000111.2N143 I146 V147 F690 C691 P692N143-T694 WeakPolarHBondContact CB-OG1 3.35Å; N143-T694 PolarHBondContact OD1-OG1 3.41Å; I146-T694 HydrophobicContact CB-CG2 3.93Å; I146-T694 HydrophobicContact CG2-CG2 3.59Å; V147-T694 HydrophobicContact CG2-CG2 3.86Å; F690-T694 PolarHBondContact O-N 3.15Å; F690-T694 PolarHBondContact O-OG1 2.96Å; C691-T694 WeakPolarHBondContact O-CB 3.4Å; C691-T694 PolarHBondContact O-N 2.67Å; P692-T694 VanDerWaalsContact C-N 3.33Å
695Y93.2Very high92.1Very high29 Ų2949.4 Ų49.411%0.11426%0.256CS..Hα-helixtrans-98.5-17.6-178.1-63.4-85.3000113.7T28 Y35 I146 Y687 C691 N697T28-Y695 WeakPolarHBondContact O-CE1 3.49Å; T28-Y695 PolarHBondContact O-OH 3.04Å; T28-Y695 VanDerWaalsContact O-OH 3.09Å; Y35-Y695 WeakPolarHBondContact CD1-O 3.42Å; Y35-Y695 WeakPolarHBondContact CE1-O 3.34Å; I146-Y695 HydrophobicContact CG2-CE1 4.26Å; Y687-Y695 PolarHBondContact OH-OH 2.52Å; Y687-Y695 VanDerWaalsContact OH-OH 3.12Å; C691-Y695 WeakPolarHBondContact O-CD2 3.41Å; C691-Y695 PolarHBondContact O-N 3Å; C691-Y695 WeakPolarHBondContact SG-CD2 3.17Å; C691-Y695 WeakPolarHBondContact SG-CE2 3.4Å; Y695-N697 VanDerWaalsContact C-N 3.29Å
696G91.2Very high91.8Very high1 Ų149.5 Ų49.51%0.0125%0.254CS..  trans77.99.6-173.700000114.1Y35 P692Y35-G696 PolarHBondContact OH-O 2.53Å; Y35-G696 VanDerWaalsContact OH-O 3.12Å; P692-G696 CarbonylContact O-C 3.2Å; P692-G696 WeakPolarHBondContact O-CA 3.1Å; P692-G696 PolarHBondContact O-N 3.24Å
697N88.6Confident91.6Very high105 Ų10552.8 Ų52.856%0.56128%0.282SS*.  trans-146.4134.8-175.3-174.222.7000109.4Y35 P692 Y695Y35-N697 HydrophobicContact CE1-CB 4.23Å; P692-N697 PolarHBondContact O-N 3.38Å; Y695-N697 VanDerWaalsContact C-N 3.29Å
698P89.7Confident91.3Very high78 Ų7852.6 Ų52.651%0.50628%0.282SS..SBendcis-69.2160.7-3.430.6-36.4000114.9
699E88Confident91Very high82 Ų8247.8 Ų47.838%0.38327%0.265SS..  trans-62.3134.5167.5178.1-179-178.400109.8T561 N562 R721T561-E699 VanDerWaalsContact CB-CD 3.48Å; T561-E699 WeakPolarHBondContact CB-OE1 3.36Å; T561-E699 WeakPolarHBondContact CB-OE2 3.28Å; N562-E699 HydrophobicContact CB-CG 4.26Å; N562-E699 PolarHBondContact N-OE1 2.88Å; E699-R721 IonicContact OE1-NH2 2.86Å; E699-R721 PolarHBondContact OE1-NH2 3.3Å
700L89.8Confident90.8Very high22 Ų2251.3 Ų51.312%0.11527%0.273CS..  trans-104.9147.7178.3-65.6178.5000111.7N562 P692 Q704 L705 L708N562-L700 WeakPolarHBondContact CB-O 3.42Å; P692-L700 HydrophobicContact CB-CD1 3.67Å; P692-L700 HydrophobicContact CB-CD2 4.29Å; P692-L700 HydrophobicContact CB-CG 3.94Å; P692-L700 HydrophobicContact CG-CD1 4.11Å; P692-L700 HydrophobicContact CG-CD2 4.28Å; P692-L700 HydrophobicContact CG-CG 4.43Å; L700-Q704 HydrophobicContact CB-CB 4.14Å; L700-Q704 HydrophobicContact CD2-CB 4.3Å; L700-L705 HydrophobicContact CB-CD2 3.83Å; L700-L705 HydrophobicContact CB-CG 3.87Å; L700-L705 HydrophobicContact CD1-CD2 3.8Å; L700-L705 HydrophobicContact CG-CD2 4.43Å; L700-L708 HydrophobicContact CD1-CD1 3.38Å
701T89.9Confident90.6Very high78 Ų7855.5 Ų55.548%0.47929%0.289SS..  trans-71.2159.5171.359.90000111.3N703 Q704 L705T701-N703 PolarHBondContact O-N 3.12Å; T701-Q704 PolarHBondContact O-N 3.47Å; T701-Q704 VanDerWaalsContact O-N 3.08Å; T701-Q704 VanDerWaalsContact OG1-CD 3.27Å; T701-Q704 VanDerWaalsContact OG1-CG 3.29Å; T701-Q704 WeakPolarHBondContact OG1-CG 3.46Å; T701-Q704 PolarHBondContact OG1-N 2.91Å; T701-Q704 PolarHBondContact OG1-OE1 2.86Å; T701-L705 PolarHBondContact O-N 2.75Å
702A88.3Confident90.3Very high17 Ų1761.3 Ų61.314%0.1432%0.318CS..Hα-helixtrans-56.4-38.5178.800000112.7L705 Q706 Y718A702-L705 PolarHBondContact O-N 2.92Å; A702-Q706 WeakPolarHBondContact O-CB 3.46Å; A702-Q706 PolarHBondContact O-N 2.82Å; A702-Y718 HydrophobicContact CB-CD2 4.38Å
703N89.8Confident90Very high128 Ų12863.2 Ų63.268%0.68433%0.332SS*.Hα-helixtrans-66.8-39.4177.5-65.6-9.8000112T701 Q706 A707T701-N703 PolarHBondContact O-N 3.12Å; N703-Q706 PolarHBondContact O-N 3.14Å; N703-A707 PolarHBondContact O-N 3.1Å
704Q90.6Very high89.9Confident97 Ų9763.1 Ų63.145%0.45333%0.331SS..Hα-helixtrans-67.1-40.1175.8-74.3167-31.600111.5L700 T701 A707 L708L700-Q704 HydrophobicContact CB-CB 4.14Å; L700-Q704 HydrophobicContact CD2-CB 4.3Å; T701-Q704 PolarHBondContact O-N 3.47Å; T701-Q704 VanDerWaalsContact O-N 3.08Å; T701-Q704 VanDerWaalsContact OG1-CD 3.27Å; T701-Q704 VanDerWaalsContact OG1-CG 3.29Å; T701-Q704 WeakPolarHBondContact OG1-CG 3.46Å; T701-Q704 PolarHBondContact OG1-N 2.91Å; T701-Q704 PolarHBondContact OG1-OE1 2.86Å; Q704-A707 WeakPolarHBondContact O-CB 3.46Å; Q704-A707 PolarHBondContact O-N 3.45Å; Q704-L708 WeakPolarHBondContact O-CG 3.31Å; Q704-L708 PolarHBondContact O-N 2.87Å; Q704-L708 VanDerWaalsContact O-N 3.12Å
705L89.9Confident89.5Confident1 Ų165.6 Ų65.61%0.00535%0.345CS..Hα-helixtrans-64.3-40.4174.9-71.5176.3000112.2N562 Q564 L693 L700 T701 A702 A707 L708 K709 I716N562-L705 HydrophobicContact CB-CD1 3.9Å; Q564-L705 VanDerWaalsContact NE2-CD1 3.3Å; L693-L705 HydrophobicContact CD2-CD2 3.96Å; L700-L705 HydrophobicContact CB-CD2 3.83Å; L700-L705 HydrophobicContact CB-CG 3.87Å; L700-L705 HydrophobicContact CD1-CD2 3.8Å; L700-L705 HydrophobicContact CG-CD2 4.43Å; T701-L705 PolarHBondContact O-N 2.75Å; A702-L705 PolarHBondContact O-N 2.92Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.26Å; L705-L708 HydrophobicContact CD2-CD1 4.48Å; L705-L708 PolarHBondContact O-N 3.11Å; L705-L708 VanDerWaalsContact O-N 3.16Å; L705-K709 PolarHBondContact O-N 3.05Å; L705-I716 HydrophobicContact CB-CG2 4.27Å; L705-I716 HydrophobicContact CD2-CG2 4.33Å
706Q89.6Confident89.2Confident98 Ų9864.7 Ų64.746%0.45834%0.342SS..Hα-helixtrans-63.3-37.6173.8-170.6175.7-4.900111.5A702 N703 L708 K709A702-Q706 WeakPolarHBondContact O-CB 3.46Å; A702-Q706 PolarHBondContact O-N 2.82Å; N703-Q706 PolarHBondContact O-N 3.14Å; Q706-L708 VanDerWaalsContact C-N 3.26Å; Q706-L708 PolarHBondContact O-N 3Å; Q706-K709 WeakPolarHBondContact O-CB 3.46Å; Q706-K709 PolarHBondContact O-N 3.4Å; Q706-K709 VanDerWaalsContact O-N 3.16Å
707A90.6Very high88.9Confident72 Ų7268.5 Ų68.560%0.59536%0.361SS*.Hα-helixtrans-67.3-24175.100000113.7N703 Q704 L705 K709 W710N703-A707 PolarHBondContact O-N 3.1Å; Q704-A707 WeakPolarHBondContact O-CB 3.46Å; Q704-A707 PolarHBondContact O-N 3.45Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.26Å; A707-K709 VanDerWaalsContact C-N 3.29Å; A707-W710 PolarHBondContact O-NE1 2.72Å
708L89.6Confident88.6Confident17 Ų1767.9 Ų67.99%0.08935%0.352CS..THydrogen-bonded Turntrans-80.4-9.9174.4-68.4176.5000113.4T689 F690 L693 L700 Q704 L705 Q706 W710 I716T689-L708 WeakPolarHBondContact O-CD2 3.1Å; F690-L708 HydrophobicContact CE1-CD2 4.47Å; L693-L708 HydrophobicContact CD1-CB 4.23Å; L693-L708 HydrophobicContact CD1-CD1 3.79Å; L693-L708 HydrophobicContact CG-CD1 3.98Å; L700-L708 HydrophobicContact CD1-CD1 3.38Å; Q704-L708 WeakPolarHBondContact O-CG 3.31Å; Q704-L708 PolarHBondContact O-N 2.87Å; Q704-L708 VanDerWaalsContact O-N 3.12Å; L705-L708 HydrophobicContact CD2-CD1 4.48Å; L705-L708 PolarHBondContact O-N 3.11Å; L705-L708 VanDerWaalsContact O-N 3.16Å; Q706-L708 VanDerWaalsContact C-N 3.26Å; Q706-L708 PolarHBondContact O-N 3Å; L708-W710 VanDerWaalsContact C-N 3.26Å; L708-W710 PolarHBondContact O-N 3.09Å; L708-I716 HydrophobicContact CB-CD1 4.33Å
709K90Very high87.9Confident71 Ų7170.7 Ų70.731%0.30935%0.352SS..  trans-78.875.1174.1-171170.6170.6157.10110.1L705 Q706 A707 R711 D712 W714 I716L705-K709 PolarHBondContact O-N 3.05Å; Q706-K709 WeakPolarHBondContact O-CB 3.46Å; Q706-K709 PolarHBondContact O-N 3.4Å; Q706-K709 VanDerWaalsContact O-N 3.16Å; A707-K709 VanDerWaalsContact C-N 3.29Å; K709-R711 WeakPolarHBondContact CE-O 3.27Å; K709-R711 WeakPolarHBondContact CG-O 3.5Å; K709-R711 PolarHBondContact O-N 3.39Å; K709-D712 VanDerWaalsContact CE-CA 3.49Å; K709-D712 WeakPolarHBondContact CE-O 2.87Å; K709-D712 PolarHBondContact NZ-O 2.94Å; K709-W714 VanDerWaalsContact CE-O 3.26Å; K709-W714 WeakPolarHBondContact CE-O 3.32Å; K709-W714 PolarHBondContact NZ-O 3.13Å; K709-I716 HydrophobicContact CB-CD1 4.33Å
710W91.1Very high87Confident128 Ų12876.2 Ų76.249%0.48537%0.37SS..  trans-71.7-14.7178.5-67.27.4000113.3P571 F690 A707 L708 W714P571-W710 HydrophobicContact CB-CE3 4.29Å; P571-W710 HydrophobicContact CB-CZ3 4.35Å; P571-W710 HydrophobicContact CG-CE3 4Å; P571-W710 HydrophobicContact CG-CZ3 4.14Å; F690-W710 HydrophobicContact CE2-CD2 4.05Å; F690-W710 AromaticContact CE2-CE2 3.99Å; F690-W710 HydrophobicContact CE2-CE3 4.01Å; F690-W710 AromaticContact CE2-CH2 3.92Å; F690-W710 HydrophobicContact CE2-CH2 3.92Å; F690-W710 AromaticContact CE2-CZ2 3.94Å; F690-W710 HydrophobicContact CE2-CZ2 3.94Å; F690-W710 AromaticContact CE2-CZ3 3.96Å; F690-W710 HydrophobicContact CE2-CZ3 3.96Å; F690-W710 AromaticContact CZ-CD2 3.83Å; F690-W710 HydrophobicContact CZ-CD2 3.83Å; F690-W710 AromaticContact CZ-CE2 3.95Å; F690-W710 HydrophobicContact CZ-CE3 4.13Å; F690-W710 HydrophobicContact CZ-CG 4.17Å; F690-W710 HydrophobicContact CZ-CZ2 4.36Å; A707-W710 PolarHBondContact O-NE1 2.72Å; L708-W710 VanDerWaalsContact C-N 3.26Å; L708-W710 PolarHBondContact O-N 3.09Å; W710-W714 HydrophobicContact CB-CH2 4.04Å; W710-W714 HydrophobicContact CB-CZ3 3.75Å; W710-W714 HydrophobicContact CG-CZ3 4.34Å
711R88.6Confident85.5Confident91 Ų9187.7 Ų87.734%0.34341%0.411SS..SBendtrans-131.8140.6173.7-64.4-168.5174.2-168.38.8110.7A548 M549 K709 S713 W714A548-R711 PolarHBondContact O-NH1 2.94Å; A548-R711 PolarHBondContact O-NH2 2.75Å; M549-R711 PolarHBondContact O-NH1 3.04Å; K709-R711 WeakPolarHBondContact CE-O 3.27Å; K709-R711 WeakPolarHBondContact CG-O 3.5Å; K709-R711 PolarHBondContact O-N 3.39Å; R711-S713 PolarHBondContact O-N 3.26Å; R711-W714 HydrophobicContact CB-CD2 3.98Å; R711-W714 HydrophobicContact CB-CG 4.08Å; R711-W714 HydrophobicContact CB-CZ2 4.36Å; R711-W714 HydrophobicContact CG-CD2 4.46Å; R711-W714 HydrophobicContact CG-CH2 4.46Å; R711-W714 HydrophobicContact CG-CZ2 3.94Å; R711-W714 PolarHBondContact O-N 2.9Å; R711-W714 VanDerWaalsContact O-N 3.14Å
712D86.6Confident85.2Confident147 Ų14788.2 Ų88.279%0.78641%0.408SS*.THydrogen-bonded Turntrans-65.4-29-179-66.3-38.9000113K709 W714K709-D712 VanDerWaalsContact CE-CA 3.49Å; K709-D712 WeakPolarHBondContact CE-O 2.87Å; K709-D712 PolarHBondContact NZ-O 2.94Å; D712-W714 VanDerWaalsContact C-N 3.26Å; D712-W714 PolarHBondContact O-N 3.12Å
713S87.5Confident85.1Confident60 Ų6091.9 Ų91.942%0.4242%0.422SS..THydrogen-bonded Turntrans-72.4-12.5177.559.90000114.1E550 R711 D715E550-S713 WeakPolarHBondContact O-CB 3.48Å; E550-S713 PolarHBondContact O-OG 2.91Å; R711-S713 PolarHBondContact O-N 3.26Å; S713-D715 PolarHBondContact O-N 3.34Å
714W90.6Very high84.8Confident1 Ų189.9 Ų89.90%0.00441%0.407CS..  trans-79.7120.5177-64.4-9.3000111.4M549 N552 I568 P571 F690 K709 W710 R711 D712 I716M549-W714 HydrophobicContact CE-CH2 4.03Å; M549-W714 HydrophobicContact CE-CZ2 3.48Å; M549-W714 VanDerWaalsContact CE-CZ2 3.48Å; M549-W714 PolarHBondContact O-NE1 2.88Å; N552-W714 WeakPolarHBondContact OD1-CA 3.42Å; I568-W714 HydrophobicContact CG2-CH2 4.37Å; I568-W714 HydrophobicContact CG2-CZ3 4.46Å; P571-W714 HydrophobicContact CB-CH2 4.49Å; P571-W714 HydrophobicContact CG-CH2 3.69Å; P571-W714 HydrophobicContact CG-CZ2 4.38Å; F690-W714 AromaticContact CE1-CZ3 3.82Å; F690-W714 HydrophobicContact CE1-CZ3 3.82Å; F690-W714 HydrophobicContact CZ-CH2 4.17Å; F690-W714 AromaticContact CZ-CZ3 3.72Å; F690-W714 HydrophobicContact CZ-CZ3 3.72Å; K709-W714 VanDerWaalsContact CE-O 3.26Å; K709-W714 WeakPolarHBondContact CE-O 3.32Å; K709-W714 PolarHBondContact NZ-O 3.13Å; W710-W714 HydrophobicContact CB-CH2 4.04Å; W710-W714 HydrophobicContact CB-CZ3 3.75Å; W710-W714 HydrophobicContact CG-CZ3 4.34Å; R711-W714 HydrophobicContact CB-CD2 3.98Å; R711-W714 HydrophobicContact CB-CG 4.08Å; R711-W714 HydrophobicContact CB-CZ2 4.36Å; R711-W714 HydrophobicContact CG-CD2 4.46Å; R711-W714 HydrophobicContact CG-CH2 4.46Å; R711-W714 HydrophobicContact CG-CZ2 3.94Å; R711-W714 PolarHBondContact O-N 2.9Å; R711-W714 VanDerWaalsContact O-N 3.14Å; D712-W714 VanDerWaalsContact C-N 3.26Å; D712-W714 PolarHBondContact O-N 3.12Å; W714-I716 VanDerWaalsContact C-N 3.33Å; W714-I716 HydrophobicContact CB-CG1 4.39Å; W714-I716 HydrophobicContact CE3-CD1 4.47Å; W714-I716 PolarHBondContact O-N 2.75Å; W714-I716 VanDerWaalsContact O-N 3.08Å
715D86.3Confident84.5Confident55 Ų5589.5 Ų89.529%0.29441%0.405SS..  trans-81.278.1174.2-87.62.5000109.4K538 Y539 N552 H566 S713K538-D715 WeakPolarHBondContact CE-OD2 3.27Å; K538-D715 IonicContact NZ-OD2 3.42Å; K538-D715 PolarHBondContact NZ-OD2 3.28Å; Y539-D715 HydrophobicContact CE1-CB 4.13Å; N552-D715 PolarHBondContact ND2-O 2.71Å; N552-D715 PolarHBondContact OD1-N 3.43Å; H566-D715 PolarHBondContact CE1-O 3.1Å; H566-D715 VanDerWaalsContact CE1-O 3.22Å; S713-D715 PolarHBondContact O-N 3.34Å
716I87.8Confident84.1Confident10 Ų1095.1 Ų95.15%0.05143%0.43CS..  trans-97.9116.5168.9-59.8178.3000107.6Q564 I568 L693 L705 L708 K709 W714Q564-I716 VanDerWaalsContact NE2-CG2 3.33Å; I568-I716 HydrophobicContact CD1-CD1 4.37Å; L693-I716 HydrophobicContact CD1-CD1 4.13Å; L705-I716 HydrophobicContact CB-CG2 4.27Å; L705-I716 HydrophobicContact CD2-CG2 4.33Å; L708-I716 HydrophobicContact CB-CD1 4.33Å; K709-I716 HydrophobicContact CB-CD1 4.33Å; W714-I716 VanDerWaalsContact C-N 3.33Å; W714-I716 HydrophobicContact CB-CG1 4.39Å; W714-I716 HydrophobicContact CE3-CD1 4.47Å; W714-I716 PolarHBondContact O-N 2.75Å; W714-I716 VanDerWaalsContact O-N 3.08Å
717L84.3Confident83.8Confident81 Ų8194.9 Ų94.942%0.42443%0.428SS..  trans-85.2139.9-178.4-62174000109.7L557 Q564L557-L717 HydrophobicContact CD1-CD1 3.72Å; L557-L717 HydrophobicContact CD2-CB 3.98Å; L557-L717 HydrophobicContact CD2-CD1 3.9Å; L557-L717 HydrophobicContact CD2-CG 4.45Å; L557-L717 HydrophobicContact CG-CD1 4.49Å; Q564-L717 PolarHBondContact NE2-O 3.38Å; Q564-L717 PolarHBondContact OE1-O 3.3Å; Q564-L717 VanDerWaalsContact OE1-O 3.09Å
718Y82Confident83.3Confident92 Ų9296.5 Ų96.536%0.36142%0.416SS..  trans-140.6132.3174.852.7-91.3000109.9A702A702-Y718 HydrophobicContact CB-CD2 4.38Å
719R75.3Confident82.8Confident137 Ų137102.6 Ų102.652%0.51744%0.441SS..  trans-89.6122.5170-61.6-176.4-173.2176.46.6108.5P559 N562 R721P559-R719 VanDerWaalsContact O-CZ 3.23Å; P559-R719 PolarHBondContact O-NH1 2.79Å; P559-R719 PolarHBondContact O-NH2 3.29Å; N562-R719 PolarHBondContact ND2-O 3.39Å; N562-R719 WeakPolarHBondContact OD1-CB 3.41Å; N562-R719 PolarHBondContact OD1-N 2.73Å; R719-R721 PolarHBondContact O-N 2.84Å
720R68.3Low82.2Confident198 Ų198105.3 Ų105.375%0.74745%0.452SS*.  trans-71.6115.7163.6-69.9-176.4178.8173.40.8106.3
721R58Low81.4Confident263 Ų263103.2 Ų103.299%0.99245%0.449SS*.  trans-70.30169.6-77.7-169.5-175.8-179.85.3109.6E699 R719E699-R721 IonicContact OE1-NH2 2.86Å; E699-R721 PolarHBondContact OE1-NH2 3.3Å; R719-R721 PolarHBondContact O-N 2.84Å

Retrieved 721 of 721 residues in 291.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).