A0A087YFS7_POEFO Loading...

Peroxisomal carnitine O-octanoyltransferase

AlphaFold DB , UniProt , Accession A0A087YFS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low53.4Low247 Ų247135.7 Ų135.7100%1.21782%0.816SS**  0104.40-77-175.7-174.300108.6
2A38Very low57.1Low111 Ų111134.6 Ų134.692%0.91779%0.786SS**  trans-72.9129.8169.200000109.3
3S37.4Very low60.2Low109 Ų109124.3 Ų124.376%0.76273%0.726SS**  trans-151.186.8170.6174.40000110.8
4R45.2Very low63Low234 Ų234116.6 Ų116.688%0.88368%0.679SS**  trans35.595.7137.3-62.3-178.5-175.4-163.71117.6
5L42.2Very low65.3Low179 Ų179113.9 Ų113.994%0.93766%0.658SS**  trans-116.181.6135.9-82.4162.8000106.7G7L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 3.48Å
6A41.9Very low67.3Low96 Ų96110.6 Ų110.679%0.79363%0.632SS**  trans-65.698.4161.200000105.9A8A6-A8 PolarHBondContact O-N 3.11Å
7G42.9Very low69.1Low69 Ų69104.9 Ų104.971%0.71160%0.598SS**PPolyproline II helixtrans-55124.7171.900000108.1L5 L9L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 3.48Å; G7-L9 PolarHBondContact O-N 3.43Å
8A55.6Low70.7Confident100 Ų100106.6 Ų106.683%0.82661%0.605SS**PPolyproline II helixtrans-54129.2177.300000108.7A6A6-A8 PolarHBondContact O-N 3.11Å
9L68.2Low72.1Confident160 Ų160106.1 Ų106.184%0.83861%0.609SS**PPolyproline II helixtrans-54.5138.3174-72.9162.3000108.9G7 E11G7-L9 PolarHBondContact O-N 3.43Å; L9-E11 PolarHBondContact O-N 3.18Å
10P83.5Confident73.4Confident114 Ų114101.3 Ų101.374%0.7458%0.581SS**PPolyproline II helixtrans-59.3138.7177.822.9-31.2000110.6R12P10-R12 PolarHBondContact O-N 2.71Å
11E94.6Very high74.6Confident74 Ų7499.5 Ų99.535%0.34657%0.573SS.*PPolyproline II helixtrans-65.4130.1-179.2-60.8-174.299.900111L9 Q15 Y16 P146 K148L9-E11 PolarHBondContact O-N 3.18Å; E11-Q15 VanDerWaalsContact CB-NE2 3.31Å; E11-Q15 PolarHBondContact OE1-NE2 2.92Å; E11-Y16 WeakPolarHBondContact OE1-CE2 3.39Å; E11-Y16 PolarHBondContact OE1-OH 2.86Å; E11-P146 HydrophobicContact CB-CG 4.11Å; E11-K148 IonicContact OE1-NZ 2.77Å; E11-K148 PolarHBondContact OE1-NZ 3.21Å; E11-K148 IonicContact OE2-NZ 3.79Å; E11-K148 PolarHBondContact OE2-NZ 3.04Å
12R97.4Very high77.5Confident122 Ų12291.2 Ų91.246%0.4654%0.538SS..PPolyproline II helixtrans-81.8142.8173.8-71169.459.7179.83.2111.2P10 F14 Q15 E142 P146 S184P10-R12 PolarHBondContact O-N 2.71Å; R12-F14 VanDerWaalsContact C-N 3.31Å; R12-F14 PolarHBondContact O-N 3Å; R12-F14 VanDerWaalsContact O-N 3.14Å; R12-Q15 HydrophobicContact CB-CB 4.13Å; R12-Q15 WeakPolarHBondContact O-CB 3.26Å; R12-Q15 VanDerWaalsContact O-CG 3.25Å; R12-Q15 WeakPolarHBondContact O-CG 3.5Å; R12-Q15 PolarHBondContact O-N 2.67Å; R12-Q15 VanDerWaalsContact O-N 3.09Å; R12-E142 WeakPolarHBondContact CA-O 3.35Å; R12-E142 HydrophobicContact CB-CB 4.09Å; R12-E142 HydrophobicContact CG-CB 4.35Å; R12-E142 IonicContact CZ-OE1 3.93Å; R12-E142 IonicContact CZ-OE2 3.45Å; R12-E142 VanDerWaalsContact CZ-OE2 3.29Å; R12-E142 IonicContact NE-OE1 3.69Å; R12-E142 IonicContact NE-OE2 3.32Å; R12-E142 PolarHBondContact NE-OE2 2.9Å; R12-E142 IonicContact NH2-OE1 2.77Å; R12-E142 PolarHBondContact NH2-OE1 3.19Å; R12-E142 IonicContact NH2-OE2 2.98Å; R12-E142 PolarHBondContact NH2-OE2 3.25Å; R12-P146 VanDerWaalsContact O-CG 3.29Å; R12-P146 WeakPolarHBondContact O-CG 3.45Å; R12-S184 PolarHBondContact NH2-OG 2.79Å
13T98.2Very high80.4Confident1 Ų186.7 Ų86.71%0.00650%0.498CS..THydrogen-bonded Turntrans-45.5-48.3-176.5-52.20000114.1L139 E142 L144 M156T13-L139 HydrophobicContact CG2-CD2 4.1Å; T13-E142 PolarHBondContact N-O 3.28Å; T13-E142 VanDerWaalsContact OG1-CA 3.23Å; T13-E142 WeakPolarHBondContact OG1-CA 3.47Å; T13-E142 PolarHBondContact OG1-O 3.3Å; T13-L144 VanDerWaalsContact CA-O 3.29Å; T13-L144 WeakPolarHBondContact CA-O 3.41Å; T13-L144 WeakPolarHBondContact CB-O 2.94Å; T13-L144 HydrophobicContact CG2-CB 4.09Å; T13-L144 HydrophobicContact CG2-CD2 4.38Å; T13-L144 PolarHBondContact OG1-N 3.3Å; T13-L144 PolarHBondContact OG1-O 3.24Å; T13-M156 HydrophobicContact CG2-CE 3.94Å
14F98.4Very high83.3Confident16 Ų1683.6 Ų83.67%0.0748%0.475CS..THydrogen-bonded Turntrans-102.18.8-173.8-53.1-72.8000113.9R12 Y16 Q17 L139 E142 M156 R160 T182R12-F14 VanDerWaalsContact C-N 3.31Å; R12-F14 PolarHBondContact O-N 3Å; R12-F14 VanDerWaalsContact O-N 3.14Å; F14-Y16 PolarHBondContact O-N 3.35Å; F14-Q17 HydrophobicContact CB-CG 4.01Å; F14-Q17 HydrophobicContact CD1-CG 4.39Å; F14-Q17 WeakPolarHBondContact O-CB 3.36Å; F14-Q17 WeakPolarHBondContact O-CG 3.26Å; F14-Q17 PolarHBondContact O-N 2.77Å; F14-Q17 VanDerWaalsContact O-N 3.12Å; F14-L139 HydrophobicContact CZ-CD2 4.49Å; F14-E142 HydrophobicContact CD2-CG 3.91Å; F14-E142 HydrophobicContact CE2-CG 4.21Å; F14-M156 HydrophobicContact CD1-CB 3.95Å; F14-M156 HydrophobicContact CE1-CB 4.17Å; F14-M156 WeakPolarHBondContact CE1-O 3.47Å; F14-R160 HydrophobicContact CE1-CG 3.8Å; F14-R160 HydrophobicContact CZ-CG 3.85Å; F14-T182 HydrophobicContact CD2-CG2 3.85Å; F14-T182 HydrophobicContact CE2-CG2 3.56Å
15Q97.6Very high85.8Confident76 Ų7673.8 Ų73.836%0.35544%0.441SS..THydrogen-bonded Turntrans-61.3-24.8-170.974.1-175.915.400114.3E11 R12E11-Q15 VanDerWaalsContact CB-NE2 3.31Å; E11-Q15 PolarHBondContact OE1-NE2 2.92Å; R12-Q15 HydrophobicContact CB-CB 4.13Å; R12-Q15 WeakPolarHBondContact O-CB 3.26Å; R12-Q15 VanDerWaalsContact O-CG 3.25Å; R12-Q15 WeakPolarHBondContact O-CG 3.5Å; R12-Q15 PolarHBondContact O-N 2.67Å; R12-Q15 VanDerWaalsContact O-N 3.09Å
16Y98.1Very high88.5Confident62 Ų6265.7 Ų65.724%0.24340%0.399CS..THydrogen-bonded Turntrans-90.4-9.7-177.8-66-62.8000114.3E11 F14 N18 S19 L20 P146 P153E11-Y16 WeakPolarHBondContact OE1-CE2 3.39Å; E11-Y16 PolarHBondContact OE1-OH 2.86Å; F14-Y16 PolarHBondContact O-N 3.35Å; Y16-N18 VanDerWaalsContact C-N 3.26Å; Y16-N18 PolarHBondContact O-N 3.37Å; Y16-N18 VanDerWaalsContact O-N 3.15Å; Y16-S19 WeakPolarHBondContact O-CA 3.33Å; Y16-S19 PolarHBondContact O-N 3.49Å; Y16-L20 PolarHBondContact O-N 3.39Å; Y16-P146 HydrophobicContact CD2-CB 3.98Å; Y16-P146 HydrophobicContact CD2-CG 4.19Å; Y16-P146 HydrophobicContact CE2-CB 4.24Å; Y16-P146 HydrophobicContact CE2-CG 4.24Å; Y16-P153 HydrophobicContact CD1-CB 4.33Å; Y16-P153 HydrophobicContact CD1-CG 3.83Å; Y16-P153 HydrophobicContact CD2-CB 3.84Å; Y16-P153 HydrophobicContact CD2-CG 3.88Å; Y16-P153 HydrophobicContact CE1-CG 4.15Å; Y16-P153 HydrophobicContact CE2-CG 4.18Å; Y16-P153 HydrophobicContact CG-CB 3.71Å; Y16-P153 HydrophobicContact CG-CG 3.69Å
17Q98.3Very high91.2Very high13 Ų1365.6 Ų65.66%0.06139%0.389CS..G310 helixtrans-54.2-41.1-173.7-69.9-56.6104.400113F14 S19 L20 R78 D155 Y448F14-Q17 HydrophobicContact CB-CG 4.01Å; F14-Q17 HydrophobicContact CD1-CG 4.39Å; F14-Q17 WeakPolarHBondContact O-CB 3.36Å; F14-Q17 WeakPolarHBondContact O-CG 3.26Å; F14-Q17 PolarHBondContact O-N 2.77Å; F14-Q17 VanDerWaalsContact O-N 3.12Å; Q17-S19 VanDerWaalsContact C-N 3.29Å; Q17-S19 PolarHBondContact O-N 2.87Å; Q17-L20 PolarHBondContact O-N 3.49Å; Q17-R78 PolarHBondContact O-NH1 3.36Å; Q17-R78 PolarHBondContact O-NH2 2.81Å; Q17-D155 PolarHBondContact NE2-OD2 2.93Å; Q17-Y448 VanDerWaalsContact O-CD2 3.31Å; Q17-Y448 WeakPolarHBondContact O-CD2 3.43Å
18N97.2Very high93.9Very high136 Ų13663 Ų6373%0.72736%0.359SS*.G310 helixtrans-75.2-16.5179.5-67.3-23.2000113.8Y16Y16-N18 VanDerWaalsContact C-N 3.26Å; Y16-N18 PolarHBondContact O-N 3.37Å; Y16-N18 VanDerWaalsContact O-N 3.15Å
19S97.3Very high95.9Very high97 Ų9762 Ų6268%0.67834%0.34SS*.G310 helixtrans-95.4-9.7178.6-57.50000113.4Y16 Q17Y16-S19 WeakPolarHBondContact O-CA 3.33Å; Y16-S19 PolarHBondContact O-N 3.49Å; Q17-S19 VanDerWaalsContact C-N 3.29Å; Q17-S19 PolarHBondContact O-N 2.87Å
20L98.4Very high97.4Very high10 Ų1055.5 Ų55.55%0.05231%0.311CS..SBendtrans-65.5137.5179.1-67.2170.2000111Y16 Q17 R78 P153 D155Y16-L20 PolarHBondContact O-N 3.39Å; Q17-L20 PolarHBondContact O-N 3.49Å; L20-R78 PolarHBondContact O-NH2 2.58Å; L20-P153 HydrophobicContact CD2-CB 4.47Å; L20-D155 HydrophobicContact CD1-CB 3.77Å; L20-D155 WeakPolarHBondContact CD1-OD2 3.4Å
21P98.3Very high98.1Very high63 Ų6350.1 Ų50.141%0.40928%0.277SS..PPolyproline II helixtrans-62.7149.117625.7-33.4000111.2K446 F447 Y448P21-K446 WeakPolarHBondContact CD-O 3.47Å; P21-K446 WeakPolarHBondContact CG-O 3.3Å; P21-F447 HydrophobicContact CB-CD1 4.13Å; P21-F447 HydrophobicContact CG-CD1 3.73Å; P21-F447 HydrophobicContact CG-CE1 4.19Å; P21-F447 WeakPolarHBondContact O-CA 3.45Å; P21-Y448 PolarHBondContact O-N 2.75Å
22P98.6Very high98.3Very high73 Ų7346.8 Ų46.847%0.47426%0.261SS..PPolyproline II helixtrans-56.5152.1167.3-2535.6000112.3P24 R78 F447P22-P24 WeakPolarHBondContact O-CD 3.2Å; P22-R78 CarbonylContact C-O 3.57Å; P22-R78 WeakPolarHBondContact CA-O 3.25Å; P22-R78 VanDerWaalsContact CB-O 3.25Å; P22-R78 WeakPolarHBondContact CB-O 3.33Å; P22-F447 VanDerWaalsContact O-CD1 3.23Å; P22-F447 WeakPolarHBondContact O-CD1 3.16Å
23L98.7Very high98.4Very high16 Ų1644.2 Ų44.28%0.08426%0.262CS..PPolyproline II helixtrans-65.5121.1171.5-175.972.7000109.2R78 N79 W80 L81 F447 A450L23-R78 PolarHBondContact N-O 3.2Å; L23-N79 HydrophobicContact CB-CB 4.48Å; L23-N79 WeakPolarHBondContact CD2-OD1 3.4Å; L23-W80 HydrophobicContact CD2-CZ2 4.25Å; L23-W80 VanDerWaalsContact O-CD1 3.29Å; L23-W80 PolarHBondContact O-NE1 3.49Å; L23-L81 HydrophobicContact CD2-CB 3.67Å; L23-L81 HydrophobicContact CD2-CD2 4.02Å; L23-F447 HydrophobicContact CB-CB 4.32Å; L23-F447 HydrophobicContact CD1-CB 4.11Å; L23-F447 HydrophobicContact CD1-CD2 3.82Å; L23-F447 HydrophobicContact CD1-CG 4.09Å; L23-A450 HydrophobicContact CD1-CB 4.09Å
24P98.5Very high98.4Very high44 Ų4446.4 Ų46.429%0.28627%0.272SS..PPolyproline II helixtrans-69.8159.5-178.829.5-36.1000111.6P22 W80 F447P22-P24 WeakPolarHBondContact O-CD 3.2Å; P24-W80 PolarHBondContact O-NE1 3.33Å; P24-F447 VanDerWaalsContact CD-CE1 3.45Å; P24-F447 HydrophobicContact CG-CE1 3.99Å; P24-F447 HydrophobicContact CG-CE2 4.41Å; P24-F447 HydrophobicContact CG-CZ 3.91Å
25V98.8Very high98.4Very high28 Ų2845.7 Ų45.717%0.1727%0.268CS..PPolyproline II helixtrans-101.3117.8165.5-1780000107.3L70 L71 A74 W80V25-L70 HydrophobicContact CG1-CD2 3.76Å; V25-L70 HydrophobicContact CG1-CG 4.01Å; V25-L70 HydrophobicContact CG2-CG 4.29Å; V25-L71 HydrophobicContact CB-CD2 3.9Å; V25-L71 HydrophobicContact CG1-CD2 4Å; V25-L71 HydrophobicContact CG2-CD2 4.36Å; V25-A74 HydrophobicContact CG2-CB 3.46Å; V25-A74 VanDerWaalsContact CG2-CB 3.46Å; V25-W80 HydrophobicContact CG2-CD2 4.49Å; V25-W80 HydrophobicContact CG2-CG 4.27Å
26P98.6Very high98.5Very high9 Ų943.5 Ų43.56%0.05826%0.259CS..PPolyproline II helixtrans-61.1154175.5-19.829.8000111.6H67 G500 G502 H506P26-H67 PolarHBondContact O-CE1 2.86Å; P26-G500 WeakPolarHBondContact CG-O 3.31Å; P26-G502 WeakPolarHBondContact CG-O 3.41Å; P26-H506 HydrophobicContact CG-CB 4.06Å; P26-H506 PolarHBondContact O-CE1 2.98Å; P26-H506 PolarHBondContact O-ND1 3.44Å
27T98.6Very high98.5Very high95 Ų9543.4 Ų43.458%0.58326%0.263SS*.PPolyproline II helixtrans-62.3140.8171.962.80000111D29 G30 S31T27-D29 VanDerWaalsContact C-N 3.31Å; T27-D29 PolarHBondContact O-N 2.89Å; T27-G30 PolarHBondContact O-N 3.07Å; T27-G30 PolarHBondContact OG1-N 3.18Å; T27-G30 VanDerWaalsContact OG1-N 3.16Å; T27-S31 PolarHBondContact O-N 3.46Å; T27-S31 VanDerWaalsContact O-N 3.08Å; T27-S31 PolarHBondContact O-OG 2.77Å
28L98.8Very high98.5Very high15 Ų1543.4 Ų43.48%0.07927%0.265CS..Hα-helixtrans-53.4-47.3175.7-176.960.9000112.3G30 S31 L32 F58 K64 H67 L510L28-G30 PolarHBondContact O-N 2.98Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CG 3.99Å; L28-L32 HydrophobicContact CD2-CD1 4.48Å; L28-L32 HydrophobicContact CG-CD1 3.8Å; L28-L32 HydrophobicContact CG-CG 4.32Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-F58 HydrophobicContact CD1-CE1 4.35Å; L28-K64 HydrophobicContact CD2-CB 4.45Å; L28-H67 HydrophobicContact CB-CB 4.36Å; L28-H67 HydrophobicContact CD1-CB 4.35Å; L28-H67 HydrophobicContact CD2-CB 4.18Å; L28-L510 HydrophobicContact CD1-CD1 3.79Å
29D98.5Very high98.5Very high77 Ų7737 Ų3741%0.41223%0.23SC..Hα-helixtrans-62.4-44-178.7-69.9-13.5000112.6T27 S31 L32 S33 R59T27-D29 VanDerWaalsContact C-N 3.31Å; T27-D29 PolarHBondContact O-N 2.89Å; D29-S31 VanDerWaalsContact C-N 3.34Å; D29-S31 PolarHBondContact O-N 2.71Å; D29-L32 PolarHBondContact O-N 2.78Å; D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.5Å; D29-S33 PolarHBondContact O-N 3.48Å; D29-R59 VanDerWaalsContact CG-NH2 3.31Å; D29-R59 IonicContact OD1-CZ 3.6Å; D29-R59 IonicContact OD1-NE 3.86Å; D29-R59 PolarHBondContact OD1-NE 3.31Å; D29-R59 IonicContact OD1-NH2 2.73Å; D29-R59 PolarHBondContact OD1-NH2 2.84Å; D29-R59 IonicContact OD2-CZ 2.78Å; D29-R59 IonicContact OD2-NE 3.71Å; D29-R59 IonicContact OD2-NH2 3.24Å; D29-R59 PolarHBondContact OD2-NH2 3.22Å
30G98.4Very high98.5Very high24 Ų2435.2 Ų35.225%0.24721%0.212CC..Hα-helixtrans-61-43.1176.300000112.2T27 L28 K34T27-G30 PolarHBondContact O-N 3.07Å; T27-G30 PolarHBondContact OG1-N 3.18Å; T27-G30 VanDerWaalsContact OG1-N 3.16Å; L28-G30 PolarHBondContact O-N 2.98Å; G30-K34 WeakPolarHBondContact O-CD 3.24Å; G30-K34 VanDerWaalsContact O-CG 3.27Å; G30-K34 WeakPolarHBondContact O-CG 3.41Å; G30-K34 PolarHBondContact O-N 3.38Å; G30-K34 VanDerWaalsContact O-N 3.14Å
31S98.8Very high98.5Very high1 Ų135.9 Ų35.91%0.00722%0.216CC..Hα-helixtrans-68.5-43.9178.4-690000112.8T27 L28 D29 K34 Y35 H506T27-S31 PolarHBondContact O-N 3.46Å; T27-S31 VanDerWaalsContact O-N 3.08Å; T27-S31 PolarHBondContact O-OG 2.77Å; L28-S31 PolarHBondContact O-N 2.72Å; D29-S31 VanDerWaalsContact C-N 3.34Å; D29-S31 PolarHBondContact O-N 2.71Å; S31-K34 PolarHBondContact O-N 2.98Å; S31-Y35 WeakPolarHBondContact O-CB 3.4Å; S31-Y35 PolarHBondContact O-N 3.21Å; S31-H506 WeakPolarHBondContact CB-ND1 3.4Å; S31-H506 PolarHBondContact OG-ND1 2.78Å
32L98.8Very high98.5Very high4 Ų434.1 Ų34.12%0.02120%0.202CC..Hα-helixtrans-67.9-36.8179-67.9178.8000112.4L28 D29 Y35 L36 V55 F58 R59 L507 L524L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CG 3.99Å; L28-L32 HydrophobicContact CD2-CD1 4.48Å; L28-L32 HydrophobicContact CG-CD1 3.8Å; L28-L32 HydrophobicContact CG-CG 4.32Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 2.91Å; D29-L32 PolarHBondContact O-N 2.78Å; L32-Y35 PolarHBondContact O-N 2.88Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.86Å; L32-V55 HydrophobicContact CB-CG1 3.82Å; L32-V55 HydrophobicContact CD1-CG1 4.14Å; L32-V55 HydrophobicContact CD2-CG1 4.2Å; L32-V55 HydrophobicContact CG-CG1 4.27Å; L32-F58 HydrophobicContact CD1-CD1 4.23Å; L32-F58 HydrophobicContact CD2-CD1 4.03Å; L32-F58 HydrophobicContact CD2-CE1 4.3Å; L32-R59 HydrophobicContact CD1-CB 3.64Å; L32-R59 HydrophobicContact CD1-CG 4.02Å; L32-L507 HydrophobicContact CD2-CD2 4.16Å; L32-L524 HydrophobicContact CD2-CD2 4.04Å
33S98.6Very high98.5Very high69 Ų6931.9 Ų31.948%0.48319%0.19SC..Hα-helixtrans-62.4-42.4172.6-176.30000111.7D29 L36 D37D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.5Å; D29-S33 PolarHBondContact O-N 3.48Å; S33-L36 PolarHBondContact O-N 3.48Å; S33-D37 PolarHBondContact O-N 3.06Å
34K98.7Very high98.4Very high47 Ų4734 Ų3420%0.20421%0.206CC..Hα-helixtrans-68.5-37.1177.2-72.9168.6179.8174.80112.4G30 S31 D37 A38 E496 N501 F503G30-K34 WeakPolarHBondContact O-CD 3.24Å; G30-K34 VanDerWaalsContact O-CG 3.27Å; G30-K34 WeakPolarHBondContact O-CG 3.41Å; G30-K34 PolarHBondContact O-N 3.38Å; G30-K34 VanDerWaalsContact O-N 3.14Å; S31-K34 PolarHBondContact O-N 2.98Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.43Å; K34-A38 WeakPolarHBondContact O-CB 3.48Å; K34-A38 PolarHBondContact O-N 2.88Å; K34-E496 WeakPolarHBondContact CE-OE2 3.35Å; K34-E496 IonicContact NZ-OE2 2.77Å; K34-E496 PolarHBondContact NZ-OE2 2.92Å; K34-N501 PolarHBondContact NZ-O 2.93Å; K34-F503 HydrophobicContact CB-CB 4.39Å; K34-F503 HydrophobicContact CB-CD1 3.5Å; K34-F503 HydrophobicContact CB-CE1 3.99Å; K34-F503 HydrophobicContact CB-CG 4.1Å; K34-F503 HydrophobicContact CD-CD1 4.47Å
35Y98.8Very high98.3Very high0 Ų038.7 Ų38.70%022%0.224CC..Hα-helixtrans-59.2-48.9172.2171-105.1000111.3S31 L32 D37 A38 V39 T51 V55 F503 L507 L524 D527 Y530S31-Y35 WeakPolarHBondContact O-CB 3.4Å; S31-Y35 PolarHBondContact O-N 3.21Å; L32-Y35 PolarHBondContact O-N 2.88Å; Y35-D37 VanDerWaalsContact C-N 3.34Å; Y35-D37 PolarHBondContact O-N 2.7Å; Y35-A38 PolarHBondContact O-N 3.48Å; Y35-V39 HydrophobicContact CD2-CG1 4Å; Y35-V39 HydrophobicContact CE1-CG1 4.06Å; Y35-V39 HydrophobicContact CE2-CG1 3.46Å; Y35-V39 VanDerWaalsContact CE2-CG1 3.46Å; Y35-V39 VanDerWaalsContact CZ-CG1 3.5Å; Y35-V39 PolarHBondContact O-N 2.84Å; Y35-T51 HydrophobicContact CE1-CG2 3.94Å; Y35-V55 HydrophobicContact CD1-CG2 3.78Å; Y35-V55 HydrophobicContact CE1-CG2 3.78Å; Y35-F503 HydrophobicContact CD2-CE2 4.04Å; Y35-L507 HydrophobicContact CD2-CD1 3.91Å; Y35-L507 HydrophobicContact CG-CD1 4.15Å; Y35-L524 HydrophobicContact CD1-CD1 3.99Å; Y35-L524 HydrophobicContact CE1-CD1 3.41Å; Y35-L524 VanDerWaalsContact CE1-CD1 3.41Å; Y35-D527 PolarHBondContact OH-OD2 3.4Å; Y35-Y530 AromaticContact CE2-CD2 3.73Å; Y35-Y530 HydrophobicContact CE2-CD2 3.73Å; Y35-Y530 HydrophobicContact CE2-CE2 4.44Å; Y35-Y530 WeakPolarHBondContact OH-CA 3.41Å; Y35-Y530 PolarHBondContact OH-N 3.43Å
36L98.8Very high98.3Very high30 Ų3039.8 Ų39.816%0.15724%0.241CC..Hα-helixtrans-59.6-42.6176.8-73.8175.5000112.3L32 S33 A38 V39 H40 F48 T51 V52 V55L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.86Å; S33-L36 PolarHBondContact O-N 3.48Å; L36-A38 VanDerWaalsContact C-N 3.28Å; L36-A38 PolarHBondContact O-N 3.23Å; L36-V39 WeakPolarHBondContact O-CG2 3.31Å; L36-V39 PolarHBondContact O-N 2.7Å; L36-H40 PolarHBondContact O-N 3.26Å; L36-F48 HydrophobicContact CD2-CE2 4.34Å; L36-F48 WeakPolarHBondContact O-CE2 3.24Å; L36-T51 HydrophobicContact CD2-CG2 3.97Å; L36-V52 HydrophobicContact CD1-CG2 4.3Å; L36-V52 HydrophobicContact CD2-CG2 3.91Å; L36-V55 HydrophobicContact CD1-CB 4.31Å; L36-V55 HydrophobicContact CD1-CG1 3.9Å; L36-V55 HydrophobicContact CD2-CB 4.21Å; L36-V55 HydrophobicContact CD2-CG2 3.78Å; L36-V55 HydrophobicContact CG-CB 4.39Å; L36-V55 HydrophobicContact CG-CG1 4.18Å; L36-V55 HydrophobicContact CG-CG2 4.12Å
37D98.1Very high98.3Very high61 Ų6142.3 Ų42.333%0.32625%0.252SS..Hα-helixtrans-58.1-41.2172.9-90.76.6000112.1S33 K34 Y35 K489S33-D37 PolarHBondContact O-N 3.06Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.43Å; Y35-D37 VanDerWaalsContact C-N 3.34Å; Y35-D37 PolarHBondContact O-N 2.7Å; D37-K489 IonicContact OD2-NZ 3.27Å; D37-K489 PolarHBondContact OD2-NZ 2.86Å
38A98.4Very high98.3Very high13 Ų1340.3 Ų40.311%0.10724%0.235CC..Hα-helixtrans-77.2-27-175.400000114.1K34 Y35 L36 P41 F42 F503K34-A38 WeakPolarHBondContact O-CB 3.48Å; K34-A38 PolarHBondContact O-N 2.88Å; Y35-A38 PolarHBondContact O-N 3.48Å; L36-A38 VanDerWaalsContact C-N 3.28Å; L36-A38 PolarHBondContact O-N 3.23Å; A38-P41 WeakPolarHBondContact O-CD 3.43Å; A38-F42 WeakPolarHBondContact O-CE2 3.27Å; A38-F503 HydrophobicContact CB-CE1 4.19Å; A38-F503 HydrophobicContact CB-CZ 3.72Å
39V98.3Very high98.2Very high0 Ų045.6 Ų45.60%026%0.258CS..Hα-helixtrans-82.2-25.5176.3-60.70000113Y35 L36 P41 F42 F48 T51 L529Y35-V39 HydrophobicContact CD2-CG1 4Å; Y35-V39 HydrophobicContact CE1-CG1 4.06Å; Y35-V39 HydrophobicContact CE2-CG1 3.46Å; Y35-V39 VanDerWaalsContact CE2-CG1 3.46Å; Y35-V39 VanDerWaalsContact CZ-CG1 3.5Å; Y35-V39 PolarHBondContact O-N 2.84Å; L36-V39 WeakPolarHBondContact O-CG2 3.31Å; L36-V39 PolarHBondContact O-N 2.7Å; V39-P41 VanDerWaalsContact C-N 3.32Å; V39-F42 PolarHBondContact O-N 3.23Å; V39-F48 HydrophobicContact CG2-CD2 4.21Å; V39-F48 HydrophobicContact CG2-CE2 4.1Å; V39-T51 HydrophobicContact CG2-CG2 4.23Å; V39-L529 HydrophobicContact CB-CB 4.04Å; V39-L529 HydrophobicContact CB-CD1 4.05Å; V39-L529 HydrophobicContact CG1-CB 4.09Å; V39-L529 HydrophobicContact CG2-CD1 4.07Å
40H97.9Very high98.2Very high61 Ų6144.5 Ų44.528%0.28226%0.259SS..G310 helixtrans-52.7-38.8-174.1-171.7-47.2000114.3L36 F42 A43 F48 R460L36-H40 PolarHBondContact O-N 3.26Å; H40-F42 PolarHBondContact O-N 2.97Å; H40-F42 VanDerWaalsContact O-N 3.12Å; H40-A43 PolarHBondContact O-N 3Å; H40-F48 HydrophobicContact CB-CD2 4.31Å; H40-F48 HydrophobicContact CB-CE2 3.96Å; H40-F48 AromaticContact CD2-CZ 3.89Å; H40-R460 HydrophobicContact CB-CG 4.07Å
41P98.2Very high98.2Very high23 Ų2343.4 Ų43.415%0.14925%0.248CC..G310 helixtrans-60.2-19.1177.1-28.439.4000115.5A38 V39 R460 V463A38-P41 WeakPolarHBondContact O-CD 3.43Å; V39-P41 VanDerWaalsContact C-N 3.32Å; P41-R460 HydrophobicContact CG-CG 4.31Å; P41-V463 HydrophobicContact CB-CG2 4.1Å
42F98.1Very high98.2Very high27 Ų2746 Ų4612%0.11826%0.264CS..G310 helixtrans-111.13.2-172.6-48.7-75.7000113.4A38 V39 H40 P435 C458 R532A38-F42 WeakPolarHBondContact O-CE2 3.27Å; V39-F42 PolarHBondContact O-N 3.23Å; H40-F42 PolarHBondContact O-N 2.97Å; H40-F42 VanDerWaalsContact O-N 3.12Å; F42-P435 HydrophobicContact CD1-CB 4.48Å; F42-P435 HydrophobicContact CE1-CB 3.95Å; F42-C458 HydrophobicContact CZ-CB 3.98Å; F42-R532 HydrophobicContact CB-CG 4.06Å; F42-R532 WeakPolarHBondContact O-CD 3.47Å; F42-R532 PolarHBondContact O-NH1 2.67Å
43A97.5Very high98.2Very high26 Ų2649.1 Ų49.122%0.21528%0.278CS..  trans-107.9137.8-171.600000112H40 E47 F48 L529H40-A43 PolarHBondContact O-N 3Å; A43-E47 HydrophobicContact CB-CB 4.45Å; A43-F48 HydrophobicContact CB-CB 3.84Å; A43-F48 HydrophobicContact CB-CD2 4.32Å; A43-L529 HydrophobicContact CB-CD1 3.47Å; A43-L529 VanDerWaalsContact CB-CD1 3.47Å; A43-L529 HydrophobicContact CB-CD2 4.03Å; A43-L529 HydrophobicContact CB-CG 4.44Å
44S97.4Very high98.2Very high61 Ų6146.8 Ų46.843%0.42726%0.26SS..  trans-69.4165.1153.163.60000110.8G46 E47 F48S44-G46 VanDerWaalsContact C-N 3.26Å; S44-G46 PolarHBondContact O-N 3.08Å; S44-E47 WeakPolarHBondContact CB-OE2 3.38Å; S44-E47 PolarHBondContact N-OE2 3.01Å; S44-E47 PolarHBondContact O-N 2.66Å; S44-E47 WeakPolarHBondContact OG-CB 3.48Å; S44-E47 VanDerWaalsContact OG-CG 3.25Å; S44-E47 WeakPolarHBondContact OG-CG 3.16Å; S44-E47 PolarHBondContact OG-N 2.83Å; S44-E47 PolarHBondContact OG-OE2 2.98Å; S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.23Å
45E96.4Very high98.2Very high141 Ų14144.9 Ų44.966%0.65925%0.252SS*.Hα-helixtrans-58.5-39177.8-169.4-174161.400112.2K49E45-K49 WeakPolarHBondContact O-CG 3.37Å; E45-K49 PolarHBondContact O-N 3.07Å; E45-K49 VanDerWaalsContact O-N 3.08Å; E45-K49 VanDerWaalsContact OE1-CE 3.28Å; E45-K49 WeakPolarHBondContact OE1-CE 3.21Å; E45-K49 IonicContact OE1-NZ 2.72Å; E45-K49 PolarHBondContact OE1-NZ 2.95Å
46G98.1Very high98.2Very high51 Ų5149.5 Ų49.553%0.52627%0.27SS..Hα-helixtrans-66.7-47.7177.600000112.9S44 F48 K49 A50S44-G46 VanDerWaalsContact C-N 3.26Å; S44-G46 PolarHBondContact O-N 3.08Å; G46-F48 VanDerWaalsContact C-N 3.32Å; G46-F48 PolarHBondContact O-N 3.45Å; G46-K49 PolarHBondContact O-N 3.2Å; G46-A50 PolarHBondContact O-N 3.43Å
47E98.2Very high98.2Very high63 Ų6353.1 Ų53.129%0.29428%0.284SS..Hα-helixtrans-62.2-40.3176.9-70.8167.1130.700111.6A43 S44 A50 T51 L529 R532A43-E47 HydrophobicContact CB-CB 4.45Å; S44-E47 WeakPolarHBondContact CB-OE2 3.38Å; S44-E47 PolarHBondContact N-OE2 3.01Å; S44-E47 PolarHBondContact O-N 2.66Å; S44-E47 WeakPolarHBondContact OG-CB 3.48Å; S44-E47 VanDerWaalsContact OG-CG 3.25Å; S44-E47 WeakPolarHBondContact OG-CG 3.16Å; S44-E47 PolarHBondContact OG-N 2.83Å; S44-E47 PolarHBondContact OG-OE2 2.98Å; E47-A50 PolarHBondContact O-N 3.36Å; E47-T51 WeakPolarHBondContact O-CB 3.23Å; E47-T51 PolarHBondContact O-N 3.3Å; E47-T51 PolarHBondContact O-OG1 3.44Å; E47-L529 HydrophobicContact CB-CD1 4.33Å; E47-L529 HydrophobicContact CB-CD2 4.49Å; E47-L529 HydrophobicContact CB-CG 4.48Å; E47-R532 VanDerWaalsContact CD-NH1 3.31Å; E47-R532 IonicContact OE1-CZ 3.59Å; E47-R532 VanDerWaalsContact OE1-CZ 3.26Å; E47-R532 IonicContact OE1-NH1 2.63Å; E47-R532 PolarHBondContact OE1-NH1 3.31Å; E47-R532 IonicContact OE1-NH2 2.66Å; E47-R532 PolarHBondContact OE1-NH2 3.33Å; E47-R532 IonicContact OE2-NH1 2.72Å; E47-R532 PolarHBondContact OE2-NH1 3.3Å
48F98.4Very high98.3Very high52 Ų5250.6 Ų50.623%0.22827%0.27CS..Hα-helixtrans-64.5-44.8178.1-170.7-109.9000111.7L36 V39 H40 A43 S44 G46 A50 T51 V52L36-F48 HydrophobicContact CD2-CE2 4.34Å; L36-F48 WeakPolarHBondContact O-CE2 3.24Å; V39-F48 HydrophobicContact CG2-CD2 4.21Å; V39-F48 HydrophobicContact CG2-CE2 4.1Å; H40-F48 HydrophobicContact CB-CD2 4.31Å; H40-F48 HydrophobicContact CB-CE2 3.96Å; H40-F48 AromaticContact CD2-CZ 3.89Å; A43-F48 HydrophobicContact CB-CB 3.84Å; A43-F48 HydrophobicContact CB-CD2 4.32Å; S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.23Å; G46-F48 VanDerWaalsContact C-N 3.32Å; G46-F48 PolarHBondContact O-N 3.45Å; F48-A50 VanDerWaalsContact C-N 3.34Å; F48-A50 PolarHBondContact O-N 3.04Å; F48-T51 PolarHBondContact O-N 2.91Å; F48-V52 HydrophobicContact CD1-CG2 4.11Å; F48-V52 HydrophobicContact CE1-CG2 3.78Å; F48-V52 HydrophobicContact CE2-CG2 4.45Å; F48-V52 HydrophobicContact CZ-CG2 3.96Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 2.98Å
49K98.4Very high98.3Very high126 Ų12655 Ų5555%0.54828%0.284SS..Hα-helixtrans-59.6-43.1175.4-75.8175.5-174.4168.90112E45 G46 T51 V52 E53E45-K49 WeakPolarHBondContact O-CG 3.37Å; E45-K49 PolarHBondContact O-N 3.07Å; E45-K49 VanDerWaalsContact O-N 3.08Å; E45-K49 VanDerWaalsContact OE1-CE 3.28Å; E45-K49 WeakPolarHBondContact OE1-CE 3.21Å; E45-K49 IonicContact OE1-NZ 2.72Å; E45-K49 PolarHBondContact OE1-NZ 2.95Å; G46-K49 PolarHBondContact O-N 3.2Å; K49-T51 VanDerWaalsContact C-N 3.34Å; K49-V52 PolarHBondContact O-N 3.42Å; K49-E53 PolarHBondContact O-N 3.24Å; K49-E53 VanDerWaalsContact O-N 3.15Å
50A98.5Very high98.2Very high54 Ų5460.5 Ų60.545%0.44631%0.31SS..Hα-helixtrans-60.7-44.8175.500000111.4G46 E47 F48 V52 E53 I54G46-A50 PolarHBondContact O-N 3.43Å; E47-A50 PolarHBondContact O-N 3.36Å; F48-A50 VanDerWaalsContact C-N 3.34Å; F48-A50 PolarHBondContact O-N 3.04Å; A50-V52 PolarHBondContact O-N 3.25Å; A50-E53 PolarHBondContact O-N 2.88Å; A50-E53 VanDerWaalsContact O-N 3.17Å; A50-I54 WeakPolarHBondContact O-CG1 3.36Å; A50-I54 PolarHBondContact O-N 3.39Å
51T98.6Very high98.2Very high1 Ų159 Ų591%0.00631%0.312CS..Hα-helixtrans-64.9-39.8179.1-560000112.5Y35 L36 V39 E47 F48 K49 E53 I54 V55 D527 L529Y35-T51 HydrophobicContact CE1-CG2 3.94Å; L36-T51 HydrophobicContact CD2-CG2 3.97Å; V39-T51 HydrophobicContact CG2-CG2 4.23Å; E47-T51 WeakPolarHBondContact O-CB 3.23Å; E47-T51 PolarHBondContact O-N 3.3Å; E47-T51 PolarHBondContact O-OG1 3.44Å; F48-T51 PolarHBondContact O-N 2.91Å; K49-T51 VanDerWaalsContact C-N 3.34Å; T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 PolarHBondContact O-N 3.47Å; T51-I54 PolarHBondContact O-N 2.8Å; T51-V55 HydrophobicContact CG2-CG2 4.37Å; T51-V55 WeakPolarHBondContact O-CB 3.22Å; T51-V55 VanDerWaalsContact O-CG2 3.32Å; T51-V55 WeakPolarHBondContact O-CG2 3.48Å; T51-V55 PolarHBondContact O-N 3.17Å; T51-D527 WeakPolarHBondContact CG2-OD2 3.47Å; T51-D527 PolarHBondContact OG1-OD2 2.81Å; T51-L529 HydrophobicContact CG2-CD1 4.35Å; T51-L529 WeakPolarHBondContact OG1-CD1 3.37Å
52V98.8Very high98.2Very high57 Ų5760.1 Ų60.135%0.34532%0.317SS..Hα-helixtrans-58.3-42.4173.5168.80000110.7L36 F48 K49 A50 V55 R56L36-V52 HydrophobicContact CD1-CG2 4.3Å; L36-V52 HydrophobicContact CD2-CG2 3.91Å; F48-V52 HydrophobicContact CD1-CG2 4.11Å; F48-V52 HydrophobicContact CE1-CG2 3.78Å; F48-V52 HydrophobicContact CE2-CG2 4.45Å; F48-V52 HydrophobicContact CZ-CG2 3.96Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 2.98Å; K49-V52 PolarHBondContact O-N 3.42Å; A50-V52 PolarHBondContact O-N 3.25Å; V52-V55 PolarHBondContact O-N 3.33Å; V52-R56 WeakPolarHBondContact O-CB 3.47Å; V52-R56 PolarHBondContact O-N 2.7Å
53E98.6Very high98.2Very high69 Ų6958.8 Ų58.832%0.32231%0.312SS..Hα-helixtrans-68.4-40.3177.4-177.755.5-156.700112.4K49 A50 T51 R56 K57K49-E53 PolarHBondContact O-N 3.24Å; K49-E53 VanDerWaalsContact O-N 3.15Å; A50-E53 PolarHBondContact O-N 2.88Å; A50-E53 VanDerWaalsContact O-N 3.17Å; T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 PolarHBondContact O-N 3.47Å; E53-R56 PolarHBondContact O-N 3.19Å; E53-R56 IonicContact OE1-CZ 3.24Å; E53-R56 IonicContact OE1-NE 3.6Å; E53-R56 PolarHBondContact OE1-NE 3Å; E53-R56 IonicContact OE1-NH2 2.72Å; E53-R56 PolarHBondContact OE1-NH2 2.89Å; E53-R56 IonicContact OE2-CZ 2.85Å; E53-R56 IonicContact OE2-NE 3.33Å; E53-R56 PolarHBondContact OE2-NE 3.08Å; E53-R56 IonicContact OE2-NH2 2.66Å; E53-K57 WeakPolarHBondContact O-CG 3.3Å; E53-K57 PolarHBondContact O-N 3.5Å; E53-K57 WeakPolarHBondContact OE1-CE 3.37Å
54I98.8Very high98.3Very high19 Ų1963.2 Ų63.210%0.09733%0.326CS..Hα-helixtrans-59.4-48.1173.1-67.2168.5000110.4A50 T51 R56 K57 F58 E523 L524 D527A50-I54 WeakPolarHBondContact O-CG1 3.36Å; A50-I54 PolarHBondContact O-N 3.39Å; T51-I54 PolarHBondContact O-N 2.8Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 3.41Å; I54-K57 PolarHBondContact O-N 3.34Å; I54-F58 VanDerWaalsContact O-CB 3.32Å; I54-F58 WeakPolarHBondContact O-CB 3.29Å; I54-F58 PolarHBondContact O-N 2.82Å; I54-E523 HydrophobicContact CD1-CG 4.09Å; I54-E523 HydrophobicContact CG1-CG 4.13Å; I54-E523 HydrophobicContact CG2-CB 4.2Å; I54-E523 HydrophobicContact CG2-CG 4.06Å; I54-L524 HydrophobicContact CG2-CB 4.25Å; I54-D527 HydrophobicContact CD1-CB 4.21Å
55V98.8Very high98.3Very high7 Ų764.6 Ų64.64%0.04233%0.326CS..Hα-helixtrans-62.2-40.8178.2167.80000111.1L32 Y35 L36 T51 V52 F58 R59 L524L32-V55 HydrophobicContact CB-CG1 3.82Å; L32-V55 HydrophobicContact CD1-CG1 4.14Å; L32-V55 HydrophobicContact CD2-CG1 4.2Å; L32-V55 HydrophobicContact CG-CG1 4.27Å; Y35-V55 HydrophobicContact CD1-CG2 3.78Å; Y35-V55 HydrophobicContact CE1-CG2 3.78Å; L36-V55 HydrophobicContact CD1-CB 4.31Å; L36-V55 HydrophobicContact CD1-CG1 3.9Å; L36-V55 HydrophobicContact CD2-CB 4.21Å; L36-V55 HydrophobicContact CD2-CG2 3.78Å; L36-V55 HydrophobicContact CG-CB 4.39Å; L36-V55 HydrophobicContact CG-CG1 4.18Å; L36-V55 HydrophobicContact CG-CG2 4.12Å; T51-V55 HydrophobicContact CG2-CG2 4.37Å; T51-V55 WeakPolarHBondContact O-CB 3.22Å; T51-V55 VanDerWaalsContact O-CG2 3.32Å; T51-V55 WeakPolarHBondContact O-CG2 3.48Å; T51-V55 PolarHBondContact O-N 3.17Å; V52-V55 PolarHBondContact O-N 3.33Å; V55-F58 PolarHBondContact O-N 3.46Å; V55-R59 WeakPolarHBondContact O-CB 3.48Å; V55-R59 PolarHBondContact O-N 3.37Å; V55-L524 HydrophobicContact CG2-CD1 3.72Å
56R98.7Very high98.4Very high97 Ų9757.9 Ų57.937%0.36630%0.295SS..Hα-helixtrans-61.8-49.7176.3-168.8-166.970.271.74.9111.4V52 E53 I54 F58 R59 E60V52-R56 WeakPolarHBondContact O-CB 3.47Å; V52-R56 PolarHBondContact O-N 2.7Å; E53-R56 PolarHBondContact O-N 3.19Å; E53-R56 IonicContact OE1-CZ 3.24Å; E53-R56 IonicContact OE1-NE 3.6Å; E53-R56 PolarHBondContact OE1-NE 3Å; E53-R56 IonicContact OE1-NH2 2.72Å; E53-R56 PolarHBondContact OE1-NH2 2.89Å; E53-R56 IonicContact OE2-CZ 2.85Å; E53-R56 IonicContact OE2-NE 3.33Å; E53-R56 PolarHBondContact OE2-NE 3.08Å; E53-R56 IonicContact OE2-NH2 2.66Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 3.41Å; R56-F58 PolarHBondContact O-N 3.42Å; R56-R59 WeakPolarHBondContact O-CB 3.38Å; R56-R59 PolarHBondContact O-N 3.06Å; R56-E60 WeakPolarHBondContact CG-OE1 3.32Å; R56-E60 IonicContact CZ-OE2 3.12Å; R56-E60 IonicContact NH1-OE1 3.37Å; R56-E60 PolarHBondContact NH1-OE1 2.85Å; R56-E60 VanDerWaalsContact NH1-OE1 3.07Å; R56-E60 IonicContact NH1-OE2 2.85Å; R56-E60 PolarHBondContact NH1-OE2 3.45Å; R56-E60 WeakPolarHBondContact O-CB 3.5Å; R56-E60 WeakPolarHBondContact O-CG 3.36Å; R56-E60 PolarHBondContact O-N 3.02Å
57K98.6Very high98.5Very high107 Ų10756.6 Ų56.647%0.46528%0.275SS..Hα-helixtrans-61.2-42.7176.1-71.2175.9-176.7173.30112.1E53 I54 E60 G61E53-K57 WeakPolarHBondContact O-CG 3.3Å; E53-K57 PolarHBondContact O-N 3.5Å; E53-K57 WeakPolarHBondContact OE1-CE 3.37Å; I54-K57 PolarHBondContact O-N 3.34Å; K57-E60 PolarHBondContact O-N 2.79Å; K57-G61 WeakPolarHBondContact O-CA 3.27Å; K57-G61 PolarHBondContact O-N 2.82Å
58F98.8Very high98.5Very high7 Ų758.6 Ų58.63%0.03128%0.284CS..Hα-helixtrans-62.3-48.2177.2-177.1-99.2000111L28 L32 I54 V55 R56 E60 G61 V62 G63 L66 L510 P522 L524 F525L28-F58 HydrophobicContact CD1-CE1 4.35Å; L32-F58 HydrophobicContact CD1-CD1 4.23Å; L32-F58 HydrophobicContact CD2-CD1 4.03Å; L32-F58 HydrophobicContact CD2-CE1 4.3Å; I54-F58 VanDerWaalsContact O-CB 3.32Å; I54-F58 WeakPolarHBondContact O-CB 3.29Å; I54-F58 PolarHBondContact O-N 2.82Å; V55-F58 PolarHBondContact O-N 3.46Å; R56-F58 PolarHBondContact O-N 3.42Å; F58-E60 PolarHBondContact O-N 3.27Å; F58-G61 CarbonylContact O-C 3.49Å; F58-G61 PolarHBondContact O-N 3.4Å; F58-V62 HydrophobicContact CD2-CG1 3.69Å; F58-V62 HydrophobicContact CE2-CG1 3.91Å; F58-G63 VanDerWaalsContact CE1-CA 3.4Å; F58-G63 WeakPolarHBondContact O-CA 3.42Å; F58-G63 PolarHBondContact O-N 3.5Å; F58-L66 HydrophobicContact CE2-CD1 4.13Å; F58-L66 HydrophobicContact CZ-CD1 4.24Å; F58-L510 HydrophobicContact CE1-CD1 3.9Å; F58-L510 HydrophobicContact CZ-CB 4.45Å; F58-L510 HydrophobicContact CZ-CD1 4.01Å; F58-P522 HydrophobicContact CD2-CB 3.89Å; F58-P522 HydrophobicContact CE2-CB 3.61Å; F58-P522 HydrophobicContact CE2-CG 4.05Å; F58-L524 HydrophobicContact CD1-CD2 3.68Å; F58-L524 HydrophobicContact CD2-CB 4.12Å; F58-L524 HydrophobicContact CD2-CD2 4.34Å; F58-L524 HydrophobicContact CE1-CD2 3.68Å; F58-L524 HydrophobicContact CE2-CD2 4.35Å; F58-L524 HydrophobicContact CG-CB 4.23Å; F58-L524 HydrophobicContact CG-CD2 4.01Å; F58-L524 HydrophobicContact CZ-CD2 4.03Å; F58-F525 HydrophobicContact CE2-CE2 4.16Å; F58-F525 HydrophobicContact CZ-CE2 4.25Å; F58-F525 HydrophobicContact CZ-CZ 4.3Å
59R98.4Very high98.5Very high107 Ų10759 Ų5940%0.40429%0.286SS..Hα-helixtrans-57.2-45.6177.6-176.8-167.1178.5-130.2-0.1112.6D29 L32 V55 R56 K64D29-R59 VanDerWaalsContact CG-NH2 3.31Å; D29-R59 IonicContact OD1-CZ 3.6Å; D29-R59 IonicContact OD1-NE 3.86Å; D29-R59 PolarHBondContact OD1-NE 3.31Å; D29-R59 IonicContact OD1-NH2 2.73Å; D29-R59 PolarHBondContact OD1-NH2 2.84Å; D29-R59 IonicContact OD2-CZ 2.78Å; D29-R59 IonicContact OD2-NE 3.71Å; D29-R59 IonicContact OD2-NH2 3.24Å; D29-R59 PolarHBondContact OD2-NH2 3.22Å; L32-R59 HydrophobicContact CD1-CB 3.64Å; L32-R59 HydrophobicContact CD1-CG 4.02Å; V55-R59 WeakPolarHBondContact O-CB 3.48Å; V55-R59 PolarHBondContact O-N 3.37Å; R56-R59 WeakPolarHBondContact O-CB 3.38Å; R56-R59 PolarHBondContact O-N 3.06Å; R59-K64 WeakPolarHBondContact O-CB 3.23Å
60E97.8Very high98.5Very high114 Ų11453 Ų5353%0.53326%0.26SS..Hα-helixtrans-82.7-21.2-175.9-68.7171.9-162.300113.1R56 K57 F58R56-E60 WeakPolarHBondContact CG-OE1 3.32Å; R56-E60 IonicContact CZ-OE2 3.12Å; R56-E60 IonicContact NH1-OE1 3.37Å; R56-E60 PolarHBondContact NH1-OE1 2.85Å; R56-E60 VanDerWaalsContact NH1-OE1 3.07Å; R56-E60 IonicContact NH1-OE2 2.85Å; R56-E60 PolarHBondContact NH1-OE2 3.45Å; R56-E60 WeakPolarHBondContact O-CB 3.5Å; R56-E60 WeakPolarHBondContact O-CG 3.36Å; R56-E60 PolarHBondContact O-N 3.02Å; K57-E60 PolarHBondContact O-N 2.79Å; F58-E60 PolarHBondContact O-N 3.27Å
61G97.4Very high98.5Very high31 Ų3153.8 Ų53.832%0.3226%0.256SS..THydrogen-bonded Turntrans-112.8-121.3-179.400000113.1K57 F58 G63 K64K57-G61 WeakPolarHBondContact O-CA 3.27Å; K57-G61 PolarHBondContact O-N 2.82Å; F58-G61 CarbonylContact O-C 3.49Å; F58-G61 PolarHBondContact O-N 3.4Å; G61-G63 PolarHBondContact O-N 2.78Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G61-K64 WeakPolarHBondContact O-CB 3.02Å; G61-K64 PolarHBondContact O-N 2.89Å
62V98.1Very high98.5Very high45 Ų4559.1 Ų59.127%0.27328%0.281SS..Hα-helixtrans-57-32-168.669.90000113.9F58 K64 E65 L66 P522F58-V62 HydrophobicContact CD2-CG1 3.69Å; F58-V62 HydrophobicContact CE2-CG1 3.91Å; V62-K64 VanDerWaalsContact C-N 3.32Å; V62-K64 PolarHBondContact O-N 3.49Å; V62-E65 WeakPolarHBondContact O-CB 3.32Å; V62-E65 PolarHBondContact O-N 2.77Å; V62-L66 HydrophobicContact CG2-CD1 4.01Å; V62-L66 HydrophobicContact CG2-CG 4.13Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 2.88Å; V62-P522 HydrophobicContact CG1-CB 4.19Å; V62-P522 HydrophobicContact CG1-CG 4.37Å
63G98.6Very high98.5Very high0 Ų058.1 Ų58.10%027%0.271CS..Hα-helixtrans-63.4-35.2178.400000113.4F58 G61 H67F58-G63 VanDerWaalsContact CE1-CA 3.4Å; F58-G63 WeakPolarHBondContact O-CA 3.42Å; F58-G63 PolarHBondContact O-N 3.5Å; G61-G63 PolarHBondContact O-N 2.78Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G63-H67 VanDerWaalsContact O-CB 3.23Å; G63-H67 WeakPolarHBondContact O-CB 3.47Å; G63-H67 PolarHBondContact O-N 3.2Å
64K98.4Very high98.5Very high119 Ų11956.1 Ų56.152%0.51727%0.266SS..Hα-helixtrans-66.1-42.5174.1-174.9178177.4-177.10111.8L28 R59 G61 V62 H67 Q68L28-K64 HydrophobicContact CD2-CB 4.45Å; R59-K64 WeakPolarHBondContact O-CB 3.23Å; G61-K64 WeakPolarHBondContact O-CB 3.02Å; G61-K64 PolarHBondContact O-N 2.89Å; V62-K64 VanDerWaalsContact C-N 3.32Å; V62-K64 PolarHBondContact O-N 3.49Å; K64-H67 PolarHBondContact O-N 3.4Å; K64-Q68 PolarHBondContact O-N 3.44Å
65E98.5Very high98.4Very high90 Ų9062.8 Ų62.842%0.42130%0.297SS..Hα-helixtrans-62.1-49.7176.3-62.9177.7-167.400111.1V62 H67 Q68 K69 R519V62-E65 WeakPolarHBondContact O-CB 3.32Å; V62-E65 PolarHBondContact O-N 2.77Å; E65-H67 VanDerWaalsContact C-N 3.31Å; E65-H67 PolarHBondContact O-N 2.86Å; E65-Q68 PolarHBondContact O-N 3.12Å; E65-K69 WeakPolarHBondContact O-CG 3.29Å; E65-K69 PolarHBondContact O-N 3.09Å; E65-K69 VanDerWaalsContact O-N 3.13Å; E65-R519 IonicContact OE2-CZ 3.83Å; E65-R519 IonicContact OE2-NH1 2.8Å; E65-R519 PolarHBondContact OE2-NH1 2.93Å; E65-R519 IonicContact OE2-NH2 3.85Å
66L98.8Very high98.3Very high0 Ų070.4 Ų70.40%033%0.332CS..Hα-helixtrans-61-41178.6-65171.2000111.2F58 V62 K69 L70 L510 I513 A514 P522F58-L66 HydrophobicContact CE2-CD1 4.13Å; F58-L66 HydrophobicContact CZ-CD1 4.24Å; V62-L66 HydrophobicContact CG2-CD1 4.01Å; V62-L66 HydrophobicContact CG2-CG 4.13Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 2.88Å; L66-K69 PolarHBondContact O-N 3.14Å; L66-L70 PolarHBondContact O-N 3.29Å; L66-L510 HydrophobicContact CB-CB 4.31Å; L66-L510 HydrophobicContact CB-CD2 4.05Å; L66-I513 HydrophobicContact CD2-CB 4.01Å; L66-I513 HydrophobicContact CD2-CG2 3.55Å; L66-I513 WeakPolarHBondContact O-CD1 3.32Å; L66-A514 HydrophobicContact CD1-CB 4.02Å; L66-A514 HydrophobicContact CD2-CB 3.9Å; L66-P522 HydrophobicContact CD1-CG 4.05Å
67H98.8Very high98.2Very high24 Ų2470.4 Ų70.411%0.11133%0.332CS..Hα-helixtrans-66.1-39.3178.2-179.666.7000112.4P26 L28 G63 K64 E65 K69 L70 L71 H506 L510P26-H67 PolarHBondContact O-CE1 2.86Å; L28-H67 HydrophobicContact CB-CB 4.36Å; L28-H67 HydrophobicContact CD1-CB 4.35Å; L28-H67 HydrophobicContact CD2-CB 4.18Å; G63-H67 VanDerWaalsContact O-CB 3.23Å; G63-H67 WeakPolarHBondContact O-CB 3.47Å; G63-H67 PolarHBondContact O-N 3.2Å; K64-H67 PolarHBondContact O-N 3.4Å; E65-H67 VanDerWaalsContact C-N 3.31Å; E65-H67 PolarHBondContact O-N 2.86Å; H67-K69 VanDerWaalsContact C-N 3.3Å; H67-K69 PolarHBondContact O-N 2.64Å; H67-L70 WeakPolarHBondContact O-CB 3.48Å; H67-L70 PolarHBondContact O-N 2.84Å; H67-L71 WeakPolarHBondContact O-CG 3.43Å; H67-L71 PolarHBondContact O-N 3.15Å; H67-H506 AromaticContact CE1-CE1 3.66Å; H67-H506 AromaticContact CE1-NE2 3.61Å; H67-H506 AromaticContact ND1-CE1 3.37Å; H67-H506 PolarHBondContact ND1-CE1 2.89Å; H67-H506 AromaticContact ND1-NE2 2.97Å; H67-H506 PolarHBondContact ND1-NE2 3.45Å; H67-L510 HydrophobicContact CB-CD2 3.98Å
68Q98.7Very high98.2Very high104 Ų10468.9 Ų68.949%0.48632%0.323SS..Hα-helixtrans-61.3-39173.3-81.8172.7-24.700112.2K64 E65 L71 Q72K64-Q68 PolarHBondContact O-N 3.44Å; E65-Q68 PolarHBondContact O-N 3.12Å; Q68-L71 WeakPolarHBondContact O-CB 3.42Å; Q68-L71 PolarHBondContact O-N 3.05Å; Q68-Q72 WeakPolarHBondContact O-CG 3.29Å; Q68-Q72 PolarHBondContact O-N 3.38Å
69K98.6Very high98.2Very high62 Ų6269 Ų6927%0.2732%0.324SS..Hα-helixtrans-68.1-35.5174.8-66.8-176.3-178-166.30112.4E65 L66 H67 L71 Q72 R73 I513 E517E65-K69 WeakPolarHBondContact O-CG 3.29Å; E65-K69 PolarHBondContact O-N 3.09Å; E65-K69 VanDerWaalsContact O-N 3.13Å; L66-K69 PolarHBondContact O-N 3.14Å; H67-K69 VanDerWaalsContact C-N 3.3Å; H67-K69 PolarHBondContact O-N 2.64Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-Q72 WeakPolarHBondContact O-CB 3.36Å; K69-Q72 PolarHBondContact O-N 3.18Å; K69-R73 PolarHBondContact O-N 3.2Å; K69-I513 HydrophobicContact CB-CD1 4.08Å; K69-I513 HydrophobicContact CB-CG2 3.97Å; K69-I513 HydrophobicContact CD-CG2 4Å; K69-E517 WeakPolarHBondContact CD-OE1 3.33Å; K69-E517 WeakPolarHBondContact CE-OE1 3.17Å; K69-E517 IonicContact NZ-OE1 3.74Å; K69-E517 PolarHBondContact NZ-OE1 3.42Å; K69-E517 IonicContact NZ-OE2 2.67Å; K69-E517 PolarHBondContact NZ-OE2 3.46Å
70L98.8Very high98.2Very high0 Ų064.2 Ų64.20%031%0.306CS..Hα-helixtrans-63.8-41.5173.6-17359.6000111.8V25 L66 H67 Q72 R73 A74 W80 W84 H506 L510 I513V25-L70 HydrophobicContact CG1-CD2 3.76Å; V25-L70 HydrophobicContact CG1-CG 4.01Å; V25-L70 HydrophobicContact CG2-CG 4.29Å; L66-L70 PolarHBondContact O-N 3.29Å; H67-L70 WeakPolarHBondContact O-CB 3.48Å; H67-L70 PolarHBondContact O-N 2.84Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-R73 PolarHBondContact O-N 2.65Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 3.47Å; L70-W80 HydrophobicContact CD1-CD2 4.03Å; L70-W80 HydrophobicContact CD1-CE3 3.53Å; L70-W80 HydrophobicContact CD1-CZ3 3.88Å; L70-W80 HydrophobicContact CD2-CH2 4.38Å; L70-W80 HydrophobicContact CD2-CZ3 4.31Å; L70-W80 HydrophobicContact CG-CE3 4.48Å; L70-W84 HydrophobicContact CD1-CH2 4.3Å; L70-W84 HydrophobicContact CD1-CZ3 3.75Å; L70-H506 WeakPolarHBondContact CD2-CD2 3.44Å; L70-L510 HydrophobicContact CB-CD2 4.25Å; L70-L510 HydrophobicContact CD2-CD2 3.97Å; L70-I513 HydrophobicContact CB-CD1 3.6Å; L70-I513 HydrophobicContact CD1-CD1 4.03Å; L70-I513 HydrophobicContact CG-CD1 4.4Å
71L98.8Very high98.3Very high70 Ų7059.4 Ų59.437%0.36628%0.284SS..Hα-helixtrans-61.7-41.3173.9-70170.2000111.7V25 H67 Q68 K69 A74 Q75V25-L71 HydrophobicContact CB-CD2 3.9Å; V25-L71 HydrophobicContact CG1-CD2 4Å; V25-L71 HydrophobicContact CG2-CD2 4.36Å; H67-L71 WeakPolarHBondContact O-CG 3.43Å; H67-L71 PolarHBondContact O-N 3.15Å; Q68-L71 WeakPolarHBondContact O-CB 3.42Å; Q68-L71 PolarHBondContact O-N 3.05Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-A74 PolarHBondContact O-N 2.89Å; L71-Q75 WeakPolarHBondContact O-CG 3.47Å; L71-Q75 PolarHBondContact O-N 3.03Å
72Q98.4Very high98.3Very high113 Ų11361.7 Ų61.753%0.52829%0.286SS..Hα-helixtrans-61-48174.1-70.7169.2-1.200111.3Q68 K69 L70 A74 Q75Q68-Q72 WeakPolarHBondContact O-CG 3.29Å; Q68-Q72 PolarHBondContact O-N 3.38Å; K69-Q72 WeakPolarHBondContact O-CB 3.36Å; K69-Q72 PolarHBondContact O-N 3.18Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; Q72-A74 VanDerWaalsContact C-N 3.26Å; Q72-A74 PolarHBondContact O-N 2.47Å; Q72-Q75 WeakPolarHBondContact O-CB 3.15Å; Q72-Q75 PolarHBondContact O-N 3.2Å
73R98.3Very high98.3Very high36 Ų3663.8 Ų63.814%0.13629%0.293CS..Hα-helixtrans-56.2-40175.2179-179.9177.685.7-1.2112.5K69 L70 Q75 E76 R77 W80 E83 W84K69-R73 PolarHBondContact O-N 3.2Å; L70-R73 PolarHBondContact O-N 2.65Å; R73-Q75 VanDerWaalsContact C-N 3.28Å; R73-Q75 PolarHBondContact O-N 3.49Å; R73-E76 PolarHBondContact O-N 3.44Å; R73-R77 PolarHBondContact O-N 3.36Å; R73-W80 HydrophobicContact CG-CB 4.31Å; R73-W80 PolarHBondContact NE-O 2.93Å; R73-W80 PolarHBondContact NH2-O 3.31Å; R73-E83 IonicContact NH2-OE2 3.39Å; R73-W84 VanDerWaalsContact CD-CZ3 3.47Å
74A98.2Very high98.3Very high26 Ų2664.4 Ų64.422%0.21530%0.295CS..Hα-helixtrans-72.3-16.9179.700000114V25 L70 L71 Q72 E76 R77 W80V25-A74 HydrophobicContact CG2-CB 3.46Å; V25-A74 VanDerWaalsContact CG2-CB 3.46Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 3.47Å; L71-A74 PolarHBondContact O-N 2.89Å; Q72-A74 VanDerWaalsContact C-N 3.26Å; Q72-A74 PolarHBondContact O-N 2.47Å; A74-E76 VanDerWaalsContact C-N 3.35Å; A74-R77 VanDerWaalsContact O-O 3.05Å; A74-W80 HydrophobicContact CB-CB 4.01Å; A74-W80 HydrophobicContact CB-CG 4.18Å
75Q97.3Very high98.3Very high160 Ų16060.4 Ų60.475%0.74828%0.277SS*.Hα-helixtrans-73.6-30.3172-69.6170.91.900111.9L71 Q72 R73L71-Q75 WeakPolarHBondContact O-CG 3.47Å; L71-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 WeakPolarHBondContact O-CB 3.15Å; Q72-Q75 PolarHBondContact O-N 3.2Å; R73-Q75 VanDerWaalsContact C-N 3.28Å; R73-Q75 PolarHBondContact O-N 3.49Å
76E96.6Very high98.3Very high166 Ų16658.3 Ų58.378%0.77627%0.268SS*.Hα-helixtrans-91.3-9.5-176.9-61.3179.2171.300113R73 A74R73-E76 PolarHBondContact O-N 3.44Å; A74-E76 VanDerWaalsContact C-N 3.35Å
77R97.4Very high98.3Very high98 Ų9859.2 Ų59.237%0.3727%0.273SS..  trans-136.6132.1-171.9-61.6-177.7177.8-1215.7111.5R73 A74 N79 E83R73-R77 PolarHBondContact O-N 3.36Å; A74-R77 VanDerWaalsContact O-O 3.05Å; R77-N79 PolarHBondContact O-N 3.02Å; R77-E83 IonicContact CZ-OE2 2.77Å; R77-E83 IonicContact NH1-OE2 2.66Å; R77-E83 PolarHBondContact NH1-OE2 3.21Å; R77-E83 IonicContact NH2-OE2 3.29Å; R77-E83 PolarHBondContact NH2-OE2 3.48Å
78R98.2Very high98.2Very high75 Ų7559.7 Ų59.728%0.28328%0.278SS..SBendtrans-64.8-28.7171.2-69.2-177.968.7-159.4-0.8112.2Q17 L20 P22 L23 Y448Q17-R78 PolarHBondContact O-NH1 3.36Å; Q17-R78 PolarHBondContact O-NH2 2.81Å; L20-R78 PolarHBondContact O-NH2 2.58Å; P22-R78 CarbonylContact C-O 3.57Å; P22-R78 WeakPolarHBondContact CA-O 3.25Å; P22-R78 VanDerWaalsContact CB-O 3.25Å; P22-R78 WeakPolarHBondContact CB-O 3.33Å; L23-R78 PolarHBondContact N-O 3.2Å; R78-Y448 HydrophobicContact CB-CD1 3.38Å; R78-Y448 HydrophobicContact CB-CE1 3.86Å; R78-Y448 HydrophobicContact CB-CG 4.14Å; R78-Y448 HydrophobicContact CG-CD1 4.36Å; R78-Y448 VanDerWaalsContact NH2-CD2 3.25Å
79N98.7Very high98.1Very high10 Ų1056 Ų565%0.05327%0.265CS..  trans-133.4106.6170.7-172-27.8000108.5L23 R77 L81 E82 Y448 H449L23-N79 HydrophobicContact CB-CB 4.48Å; L23-N79 WeakPolarHBondContact CD2-OD1 3.4Å; R77-N79 PolarHBondContact O-N 3.02Å; N79-L81 PolarHBondContact O-N 2.63Å; N79-L81 WeakPolarHBondContact OD1-CB 3.34Å; N79-L81 PolarHBondContact OD1-N 2.87Å; N79-E82 HydrophobicContact CB-CB 4.11Å; N79-E82 PolarHBondContact OD1-N 2.71Å; N79-Y448 WeakPolarHBondContact CB-O 3.39Å; N79-Y448 PolarHBondContact ND2-O 3.48Å; N79-H449 VanDerWaalsContact ND2-C 3.32Å; N79-H449 PolarHBondContact ND2-O 2.98Å; N79-H449 VanDerWaalsContact ND2-O 3.09Å
80W98.6Very high98.1Very high5 Ų554.1 Ų54.12%0.01926%0.257CS..SBendtrans-71.3-18.4-178.259.1-96.7000113L23 P24 V25 L70 R73 A74 W84 R505L23-W80 HydrophobicContact CD2-CZ2 4.25Å; L23-W80 VanDerWaalsContact O-CD1 3.29Å; L23-W80 PolarHBondContact O-NE1 3.49Å; P24-W80 PolarHBondContact O-NE1 3.33Å; V25-W80 HydrophobicContact CG2-CD2 4.49Å; V25-W80 HydrophobicContact CG2-CG 4.27Å; L70-W80 HydrophobicContact CD1-CD2 4.03Å; L70-W80 HydrophobicContact CD1-CE3 3.53Å; L70-W80 HydrophobicContact CD1-CZ3 3.88Å; L70-W80 HydrophobicContact CD2-CH2 4.38Å; L70-W80 HydrophobicContact CD2-CZ3 4.31Å; L70-W80 HydrophobicContact CG-CE3 4.48Å; R73-W80 HydrophobicContact CG-CB 4.31Å; R73-W80 PolarHBondContact NE-O 2.93Å; R73-W80 PolarHBondContact NH2-O 3.31Å; A74-W80 HydrophobicContact CB-CB 4.01Å; A74-W80 HydrophobicContact CB-CG 4.18Å; W80-W84 HydrophobicContact CE3-CE3 4.23Å; W80-W84 HydrophobicContact CE3-CZ3 4.16Å; W80-W84 HydrophobicContact CZ3-CE3 4.45Å; W80-W84 HydrophobicContact CZ3-CZ3 4.46Å; W80-R505 HydrophobicContact CH2-CB 4.48Å; W80-R505 WeakPolarHBondContact CH2-O 3.46Å
81L98.6Very high98.1Very high13 Ų1354.4 Ų54.47%0.06826%0.258CS..SBendtrans-100.9-28.3-170.1178.365.7000113.6L23 N79 E83 W84 W85 R505L23-L81 HydrophobicContact CD2-CB 3.67Å; L23-L81 HydrophobicContact CD2-CD2 4.02Å; N79-L81 PolarHBondContact O-N 2.63Å; N79-L81 WeakPolarHBondContact OD1-CB 3.34Å; N79-L81 PolarHBondContact OD1-N 2.87Å; L81-E83 PolarHBondContact O-N 3.46Å; L81-W84 PolarHBondContact O-N 3.33Å; L81-W84 VanDerWaalsContact O-N 3.08Å; L81-W85 HydrophobicContact CD1-CB 4.14Å; L81-W85 HydrophobicContact CG-CB 3.96Å; L81-W85 WeakPolarHBondContact O-CB 3.44Å; L81-W85 PolarHBondContact O-N 2.72Å; L81-R505 HydrophobicContact CD1-CB 4.33Å; L81-R505 HydrophobicContact CD2-CB 3.64Å; L81-R505 HydrophobicContact CD2-CG 3.65Å
82E98.2Very high98Very high79 Ų7954.4 Ų54.437%0.36926%0.257SS..Hα-helixtrans-44.5-59.4-168.6-178.7177.4-163.500114.3N79 W85 L86 H449N79-E82 HydrophobicContact CB-CB 4.11Å; N79-E82 PolarHBondContact OD1-N 2.71Å; E82-W85 PolarHBondContact O-N 3.47Å; E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.36Å; E82-H449 WeakPolarHBondContact OE1-CB 3.44Å; E82-H449 IonicContact OE1-CE1 3.86Å; E82-H449 IonicContact OE1-CG 3.44Å; E82-H449 IonicContact OE1-ND1 3.7Å; E82-H449 PolarHBondContact OE1-ND1 2.93Å; E82-H449 IonicContact OE2-CG 3Å; E82-H449 IonicContact OE2-ND1 3.51Å
83E98Very high98Very high90 Ų9051.3 Ų51.342%0.42125%0.245SC..Hα-helixtrans-61.4-46.2179.8-178.2-178.6-175.600111.9R73 R77 L81 W85 L86 D87R73-E83 IonicContact NH2-OE2 3.39Å; R77-E83 IonicContact CZ-OE2 2.77Å; R77-E83 IonicContact NH1-OE2 2.66Å; R77-E83 PolarHBondContact NH1-OE2 3.21Å; R77-E83 IonicContact NH2-OE2 3.29Å; R77-E83 PolarHBondContact NH2-OE2 3.48Å; L81-E83 PolarHBondContact O-N 3.46Å; E83-W85 PolarHBondContact O-N 3.3Å; E83-L86 PolarHBondContact O-N 3.09Å; E83-D87 WeakPolarHBondContact O-CB 3.49Å; E83-D87 PolarHBondContact O-N 3.24Å
84W98.4Very high98Very high12 Ų1252 Ų525%0.04525%0.248CC..Hα-helixtrans-63.7-41.6-180-82.2-19000112.6L70 R73 W80 L81 T88 L512 I513 E516L70-W84 HydrophobicContact CD1-CH2 4.3Å; L70-W84 HydrophobicContact CD1-CZ3 3.75Å; R73-W84 VanDerWaalsContact CD-CZ3 3.47Å; W80-W84 HydrophobicContact CE3-CE3 4.23Å; W80-W84 HydrophobicContact CE3-CZ3 4.16Å; W80-W84 HydrophobicContact CZ3-CE3 4.45Å; W80-W84 HydrophobicContact CZ3-CZ3 4.46Å; L81-W84 PolarHBondContact O-N 3.33Å; L81-W84 VanDerWaalsContact O-N 3.08Å; W84-T88 WeakPolarHBondContact O-CB 3.38Å; W84-T88 VanDerWaalsContact O-CG2 3.3Å; W84-T88 WeakPolarHBondContact O-CG2 3.4Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.94Å; W84-L512 HydrophobicContact CB-CD1 3.55Å; W84-L512 HydrophobicContact CD2-CB 4.17Å; W84-L512 HydrophobicContact CD2-CD1 3.8Å; W84-L512 HydrophobicContact CE3-CB 4.48Å; W84-L512 HydrophobicContact CE3-CD1 4.19Å; W84-L512 HydrophobicContact CG-CD1 3.54Å; W84-L512 HydrophobicContact CZ2-CB 4.34Å; W84-I513 HydrophobicContact CH2-CD1 4.07Å; W84-I513 HydrophobicContact CH2-CG1 3.48Å; W84-I513 VanDerWaalsContact CH2-CG1 3.48Å; W84-I513 HydrophobicContact CZ2-CG1 4.13Å; W84-I513 HydrophobicContact CZ3-CG1 4.37Å; W84-E516 WeakPolarHBondContact CZ2-OE2 3.25Å; W84-E516 PolarHBondContact NE1-OE1 2.94Å
85W98.4Very high98Very high35 Ų3555 Ų5513%0.13326%0.259CS..Hα-helixtrans-67.6-45.1178.6-179.2-113.4000111.1L81 E82 E83 D87 A89 Y90 L508L81-W85 HydrophobicContact CD1-CB 4.14Å; L81-W85 HydrophobicContact CG-CB 3.96Å; L81-W85 WeakPolarHBondContact O-CB 3.44Å; L81-W85 PolarHBondContact O-N 2.72Å; E82-W85 PolarHBondContact O-N 3.47Å; E83-W85 PolarHBondContact O-N 3.3Å; W85-D87 PolarHBondContact O-N 2.95Å; W85-A89 HydrophobicContact CD2-CB 3.89Å; W85-A89 HydrophobicContact CE3-CB 3.77Å; W85-A89 HydrophobicContact CH2-CB 3.69Å; W85-A89 HydrophobicContact CZ2-CB 3.81Å; W85-A89 HydrophobicContact CZ3-CB 3.67Å; W85-A89 WeakPolarHBondContact O-CB 3.47Å; W85-A89 PolarHBondContact O-N 2.81Å; W85-Y90 HydrophobicContact CZ2-CE2 4.43Å; W85-Y90 AromaticContact NE1-CE2 3.61Å; W85-L508 HydrophobicContact CE3-CD2 3.8Å; W85-L508 HydrophobicContact CZ3-CD2 4.06Å
86L98.4Very high98.1Very high46 Ų4648.3 Ų48.324%0.24123%0.229CC..Hα-helixtrans-58.5-48.9176.7178.759.7000111.5E82 E83 Y90 L91 I176 A328E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.36Å; E83-L86 PolarHBondContact O-N 3.09Å; L86-Y90 HydrophobicContact CD1-CD2 4.48Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 PolarHBondContact O-N 3.48Å; L86-L91 HydrophobicContact CD1-CD1 4.08Å; L86-L91 HydrophobicContact CD1-CD2 4.41Å; L86-L91 HydrophobicContact CD1-CG 4Å; L86-L91 HydrophobicContact CD2-CD1 3.94Å; L86-L91 HydrophobicContact CG-CD1 3.62Å; L86-L91 HydrophobicContact CG-CG 3.95Å; L86-L91 PolarHBondContact O-N 2.71Å; L86-I176 HydrophobicContact CD1-CG1 4.37Å; L86-A328 HydrophobicContact CD1-CB 4.29Å; L86-A328 WeakPolarHBondContact CD1-O 3.44Å
87D98.1Very high98.2Very high19 Ų1940.7 Ų40.710%0.10219%0.194CC..Iπ-helixtrans-65.3-58.2-179.1-79.9-6.1000111.4E83 W85 L91 E92 K173E83-D87 WeakPolarHBondContact O-CB 3.49Å; E83-D87 PolarHBondContact O-N 3.24Å; W85-D87 PolarHBondContact O-N 2.95Å; D87-L91 CarbonylContact O-C 3.47Å; D87-L91 PolarHBondContact O-N 3.14Å; D87-E92 HydrophobicContact CB-CG 4.24Å; D87-E92 WeakPolarHBondContact O-CB 3.41Å; D87-E92 WeakPolarHBondContact O-CG 3.26Å; D87-E92 PolarHBondContact O-N 2.91Å; D87-K173 HydrophobicContact CB-CD 4.4Å; D87-K173 VanDerWaalsContact CG-NZ 3.34Å; D87-K173 IonicContact OD1-NZ 3.48Å; D87-K173 PolarHBondContact OD1-NZ 2.89Å; D87-K173 IonicContact OD2-NZ 3.56Å; D87-K173 PolarHBondContact OD2-NZ 2.87Å
88T96.9Very high98.2Very high34 Ų3436.1 Ų36.121%0.20918%0.178CC..Iπ-helixtrans-75.9-32.8-167.161.40000113.8W84 L512W84-T88 WeakPolarHBondContact O-CB 3.38Å; W84-T88 VanDerWaalsContact O-CG2 3.3Å; W84-T88 WeakPolarHBondContact O-CG2 3.4Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.94Å; T88-L512 HydrophobicContact CG2-CD1 3.91Å; T88-L512 HydrophobicContact CG2-CD2 3.64Å; T88-L512 HydrophobicContact CG2-CG 4.44Å
89A96.6Very high98.2Very high27 Ų2732.7 Ų32.722%0.22317%0.165CC..Iπ-helixtrans-85.2-20.418000000112.8W85W85-A89 HydrophobicContact CD2-CB 3.89Å; W85-A89 HydrophobicContact CE3-CB 3.77Å; W85-A89 HydrophobicContact CH2-CB 3.69Å; W85-A89 HydrophobicContact CZ2-CB 3.81Å; W85-A89 HydrophobicContact CZ3-CB 3.67Å; W85-A89 WeakPolarHBondContact O-CB 3.47Å; W85-A89 PolarHBondContact O-N 2.81Å
90Y98.5Very high98.2Very high22 Ų2234.5 Ų34.59%0.08617%0.174CC..Iπ-helixtrans-136.7-60.1-173.3-49.1-81.2000114W85 L86 E92 V93 V101 H327 A328 R451W85-Y90 HydrophobicContact CZ2-CE2 4.43Å; W85-Y90 AromaticContact NE1-CE2 3.61Å; L86-Y90 HydrophobicContact CD1-CD2 4.48Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 PolarHBondContact O-N 3.48Å; Y90-E92 PolarHBondContact O-N 3.26Å; Y90-V93 PolarHBondContact O-N 2.93Å; Y90-V101 HydrophobicContact CD1-CG1 3.83Å; Y90-V101 HydrophobicContact CE1-CG1 4.28Å; Y90-H327 HydrophobicContact CD1-CB 4.47Å; Y90-H327 HydrophobicContact CE1-CB 4.03Å; Y90-H327 AromaticContact CE1-CD2 3.89Å; Y90-H327 AromaticContact CE1-CG 3.77Å; Y90-A328 HydrophobicContact CD1-CB 4.38Å; Y90-A328 HydrophobicContact CG-CB 3.98Å; Y90-R451 VanDerWaalsContact CE2-NH1 3.29Å; Y90-R451 PolarHBondContact OH-NH2 3.23Å
91L98.7Very high98.2Very high6 Ų635.3 Ų35.33%0.03118%0.18CC..Iπ-helixtrans-77.9-18.6-166.7-55.2-177.1000114.8L86 D87 R94 K167 K173 D174 I176 A328L86-L91 HydrophobicContact CD1-CD1 4.08Å; L86-L91 HydrophobicContact CD1-CD2 4.41Å; L86-L91 HydrophobicContact CD1-CG 4Å; L86-L91 HydrophobicContact CD2-CD1 3.94Å; L86-L91 HydrophobicContact CG-CD1 3.62Å; L86-L91 HydrophobicContact CG-CG 3.95Å; L86-L91 PolarHBondContact O-N 2.71Å; D87-L91 CarbonylContact O-C 3.47Å; D87-L91 PolarHBondContact O-N 3.14Å; L91-R94 PolarHBondContact O-NH2 2.89Å; L91-K167 HydrophobicContact CD2-CD 4.03Å; L91-K167 HydrophobicContact CD2-CG 4.48Å; L91-K173 HydrophobicContact CB-CG 3.99Å; L91-K173 CarbonylContact O-C 3.58Å; L91-K173 VanDerWaalsContact O-CA 3.27Å; L91-K173 WeakPolarHBondContact O-CA 3.29Å; L91-K173 WeakPolarHBondContact O-CG 3.4Å; L91-D174 HydrophobicContact CB-CB 4.34Å; L91-D174 HydrophobicContact CD2-CB 4.02Å; L91-D174 PolarHBondContact O-N 2.84Å; L91-I176 HydrophobicContact CD1-CG1 4.4Å; L91-I176 HydrophobicContact CD2-CD1 3.98Å; L91-I176 HydrophobicContact CD2-CG1 4.05Å; L91-A328 HydrophobicContact CD2-CB 3.98Å
92E98.4Very high98.2Very high71 Ų7134.7 Ų34.733%0.33218%0.177SC..SBendtrans-94.6-16.6173.6-65.9-173.5159.200112D87 Y90 R94 K173 K515D87-E92 HydrophobicContact CB-CG 4.24Å; D87-E92 WeakPolarHBondContact O-CB 3.41Å; D87-E92 WeakPolarHBondContact O-CG 3.26Å; D87-E92 PolarHBondContact O-N 2.91Å; Y90-E92 PolarHBondContact O-N 3.26Å; E92-R94 PolarHBondContact O-N 3.3Å; E92-R94 PolarHBondContact O-NE 2.69Å; E92-K173 HydrophobicContact CG-CD 3.92Å; E92-K173 HydrophobicContact CG-CG 3.93Å; E92-K515 IonicContact OE2-NZ 3.5Å
93V97.9Very high98.2Very high47 Ų4731.6 Ų31.629%0.28516%0.162SC..  trans-68127.2179.9175.20000109.8Y90 I95 R245Y90-V93 PolarHBondContact O-N 2.93Å; V93-I95 HydrophobicContact CG1-CD1 4.31Å; V93-I95 HydrophobicContact CG1-CG1 3.7Å; V93-R245 WeakPolarHBondContact O-CG 3.49Å
94R98.5Very high98.1Very high52 Ų5227.4 Ų27.420%0.19614%0.143CC..  trans-97.5-14.6-171.7-64.6-5483.2-168.8-15.3114.8L91 E92 G170 K172 D174 E244 R245L91-R94 PolarHBondContact O-NH2 2.89Å; E92-R94 PolarHBondContact O-N 3.3Å; E92-R94 PolarHBondContact O-NE 2.69Å; R94-G170 PolarHBondContact NH1-O 3.43Å; R94-K172 PolarHBondContact NH1-O 3.35Å; R94-D174 IonicContact CZ-OD1 3.9Å; R94-D174 IonicContact NH1-OD1 2.69Å; R94-D174 PolarHBondContact NH1-OD1 2.92Å; R94-D174 IonicContact NH2-OD1 3.93Å; R94-D174 PolarHBondContact NH2-OD1 3.39Å; R94-E244 WeakPolarHBondContact CB-OE1 3.19Å; R94-E244 WeakPolarHBondContact O-CG 3.08Å; R94-E244 VanDerWaalsContact O-OE1 3.05Å; R94-R245 WeakPolarHBondContact O-CG 3.44Å; R94-R245 PolarHBondContact O-N 3.05Å
95I98.1Very high98Very high87 Ų8727 Ų2745%0.44614%0.143SC..SBendtrans-60.9155.4177.170.9177.9000111.4V93 S97 N100 R245V93-I95 HydrophobicContact CG1-CD1 4.31Å; V93-I95 HydrophobicContact CG1-CG1 3.7Å; I95-S97 PolarHBondContact O-N 3.26Å; I95-N100 HydrophobicContact CD1-CB 3.56Å; I95-N100 HydrophobicContact CG1-CB 4.15Å; I95-R245 WeakPolarHBondContact O-CD 3.41Å; I95-R245 WeakPolarHBondContact O-CG 3.18Å
96P98.4Very high97.8Very high20 Ų2025.8 Ų25.813%0.1314%0.139CC..  trans-56.2106.7177.3-22.931.4000112.2Q98 N100 S242 E244P96-Q98 PolarHBondContact O-N 3.04Å; P96-N100 WeakPolarHBondContact O-CB 3.38Å; P96-N100 PolarHBondContact O-N 2.86Å; P96-N100 PolarHBondContact O-ND2 3.29Å; P96-S242 WeakPolarHBondContact CB-O 3.27Å; P96-E244 HydrophobicContact CG-CB 4.36Å
97S98.5Very high97.4Very high6 Ų623.9 Ų23.94%0.04213%0.131CC..Hα-helixtrans-73-28.5-169.463.10000113.2I95 L99 N100 V101 N102 K167 R245I95-S97 PolarHBondContact O-N 3.26Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3.21Å; S97-N100 PolarHBondContact O-N 3.4Å; S97-V101 WeakPolarHBondContact O-CA 3.11Å; S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 PolarHBondContact O-N 3.43Å; S97-N102 PolarHBondContact O-N 2.97Å; S97-N102 PolarHBondContact O-OD1 3.32Å; S97-K167 PolarHBondContact OG-NZ 2.85Å; S97-K167 VanDerWaalsContact OG-NZ 3.12Å; S97-R245 PolarHBondContact OG-NH1 3.41Å
98Q98.6Very high96.8Very high3 Ų323.2 Ų23.21%0.01413%0.128CC..Hα-helixtrans-58.8-40.5-175.7-177.4173.4-39.200112.9P96 N102 T241 S242 G307 Y387P96-Q98 PolarHBondContact O-N 3.04Å; Q98-N102 WeakPolarHBondContact O-CB 3.49Å; Q98-T241 PolarHBondContact OE1-OG1 2.93Å; Q98-S242 VanDerWaalsContact OE1-CB 3.28Å; Q98-G307 VanDerWaalsContact OE1-CA 3.28Å; Q98-Y387 HydrophobicContact CB-CE2 4.32Å; Q98-Y387 HydrophobicContact CG-CE2 4.01Å; Q98-Y387 PolarHBondContact NE2-OH 3.04Å; Q98-Y387 VanDerWaalsContact NE2-OH 3.13Å
99L98.1Very high96.4Very high3 Ų322.1 Ų22.12%0.01612%0.12CC..Hα-helixtrans-89.1-43176.3179.458.7000112.1S97 T299 Y387 T391 L394 W581S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3.21Å; L99-T299 HydrophobicContact CD1-CG2 4.13Å; L99-Y387 HydrophobicContact CB-CE2 4.03Å; L99-T391 HydrophobicContact CD1-CG2 3.99Å; L99-T391 HydrophobicContact CD2-CG2 4Å; L99-L394 HydrophobicContact CD1-CD2 4.23Å; L99-W581 HydrophobicContact CD2-CH2 4.25Å; L99-W581 HydrophobicContact CD2-CZ3 4.46Å; L99-W581 HydrophobicContact CG-CH2 4.41Å
100N98.3Very high95.9Very high47 Ų4721.3 Ų21.325%0.25111%0.112SC..Hα-helixtrans-89.5-16.3-164.4-60.8-71000114I95 P96 S97I95-N100 HydrophobicContact CD1-CB 3.56Å; I95-N100 HydrophobicContact CG1-CB 4.15Å; P96-N100 WeakPolarHBondContact O-CB 3.38Å; P96-N100 PolarHBondContact O-N 2.86Å; P96-N100 PolarHBondContact O-ND2 3.29Å; S97-N100 PolarHBondContact O-N 3.4Å
101V98.5Very high95.3Very high23 Ų2322.2 Ų22.214%0.13912%0.117CC..THydrogen-bonded Turntrans-129.4-40.8-170.1-178.50000112.3Y90 S97 H327Y90-V101 HydrophobicContact CD1-CG1 3.83Å; Y90-V101 HydrophobicContact CE1-CG1 4.28Å; S97-V101 WeakPolarHBondContact O-CA 3.11Å; S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 PolarHBondContact O-N 3.43Å; V101-H327 HydrophobicContact CG1-CB 4.14Å; V101-H327 WeakPolarHBondContact O-CB 3.48Å
102N98.8Very high94.8Very high0 Ų023.5 Ų23.50%012%0.122CC..  trans-59.2141.9177.6-70.213.8000110.5S97 Q98 G307 C325 D326S97-N102 PolarHBondContact O-N 2.97Å; S97-N102 PolarHBondContact O-OD1 3.32Å; Q98-N102 WeakPolarHBondContact O-CB 3.49Å; N102-G307 PolarHBondContact ND2-O 2.98Å; N102-C325 WeakPolarHBondContact CA-O 3.48Å; N102-C325 WeakPolarHBondContact CB-O 3.44Å; N102-C325 VanDerWaalsContact CG-O 3.32Å; N102-D326 WeakPolarHBondContact OD1-CA 3.43Å
103F98.4Very high94.5Very high13 Ų1324.4 Ų24.46%0.05713%0.125CC..EExtended strand (participates in β ladder)trans-95.5145.2168.456.9-96.4000110.2T324 C325 H327 Y330 A332 L335 A554 V555F103-T324 WeakPolarHBondContact O-CA 3.43Å; F103-C325 HydrophobicContact CD2-CB 3.9Å; F103-C325 HydrophobicContact CE1-CB 4.18Å; F103-C325 HydrophobicContact CE2-CB 3.33Å; F103-C325 HydrophobicContact CZ-CB 3.48Å; F103-C325 VanDerWaalsContact CZ-CB 3.48Å; F103-C325 PolarHBondContact N-O 2.89Å; F103-C325 PolarHBondContact O-N 3.38Å; F103-H327 HydrophobicContact CD1-CB 3.76Å; F103-H327 AromaticContact CD1-CG 3.61Å; F103-H327 AromaticContact CD1-ND1 3.8Å; F103-H327 HydrophobicContact CE1-CB 3.96Å; F103-H327 AromaticContact CE1-CG 3.83Å; F103-H327 AromaticContact CE1-ND1 3.62Å; F103-Y330 HydrophobicContact CE1-CE2 4.47Å; F103-Y330 HydrophobicContact CE2-CE2 4.28Å; F103-Y330 HydrophobicContact CZ-CD2 4.01Å; F103-Y330 AromaticContact CZ-CE2 3.52Å; F103-Y330 HydrophobicContact CZ-CE2 3.52Å; F103-A332 HydrophobicContact CD2-CB 4.28Å; F103-A332 HydrophobicContact CE2-CB 4.21Å; F103-A332 HydrophobicContact CG-CB 4.49Å; F103-A332 HydrophobicContact CZ-CB 4.39Å; F103-L335 HydrophobicContact CD2-CD2 4.27Å; F103-L335 HydrophobicContact CE2-CB 4.14Å; F103-L335 HydrophobicContact CE2-CD2 3.86Å; F103-A554 WeakPolarHBondContact CA-O 3.44Å; F103-V555 HydrophobicContact CB-CG1 3.54Å
104G96.3Very high94.3Very high2 Ų222.6 Ų22.62%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-148.3164.9178.500000111.8S323 G553 A554G104-S323 CarbonylContact C-O 3.58Å; G104-S323 WeakPolarHBondContact CA-O 3.3Å; G104-G553 CarbonylContact O-C 3.6Å; G104-G553 VanDerWaalsContact O-CA 3.25Å; G104-G553 WeakPolarHBondContact O-CA 3.44Å; G104-A554 PolarHBondContact N-O 2.79Å; G104-A554 VanDerWaalsContact N-O 3.09Å; G104-A554 PolarHBondContact O-N 3.39Å
105G94.7Very high94.1Very high5 Ų523.1 Ų23.15%0.05212%0.124CC..EExtended strand (participates in β ladder)trans-178.6173.3-17600000114.7G322 S323G105-G322 CarbonylContact O-C 3.53Å; G105-G322 VanDerWaalsContact O-CA 3.26Å; G105-G322 WeakPolarHBondContact O-CA 3.49Å; G105-S323 PolarHBondContact N-O 3.27Å; G105-S323 PolarHBondContact O-N 3.29Å
106P95.1Very high93.9Very high8 Ų821.4 Ų21.45%0.05212%0.118CC..EExtended strand (participates in β ladder)trans-73.4144.2179.131.8-35.3000111.4Y290 L293 T294 M552P106-Y290 HydrophobicContact CB-CD1 4.22Å; P106-Y290 HydrophobicContact CG-CD1 4.12Å; P106-L293 HydrophobicContact CB-CB 4.2Å; P106-L293 HydrophobicContact CB-CD2 3.41Å; P106-L293 VanDerWaalsContact CB-CD2 3.41Å; P106-L293 HydrophobicContact CB-CG 3.62Å; P106-T294 WeakPolarHBondContact CD-OG1 3.39Å; P106-M552 HydrophobicContact CG-CB 4.11Å
107G90.3Very high93.6Very high6 Ų622.1 Ų22.16%0.06213%0.126CC..  trans-64.7145.2163.900000110.6Y109 F321G107-Y109 PolarHBondContact O-N 3.4Å; G107-F321 WeakPolarHBondContact CA-O 3.47Å; G107-F321 PolarHBondContact N-O 3.09Å
108P85.4Confident93.3Very high6 Ų626.6 Ų26.64%0.03915%0.146CC..G310 helixtrans-77.711.3-170.533.5-40.3000115.6H112 D343 T550 I551P108-H112 PolarHBondContact O-NE2 3.28Å; P108-D343 HydrophobicContact CB-CB 4.3Å; P108-D343 HydrophobicContact CG-CB 3.78Å; P108-T550 WeakPolarHBondContact CB-OG1 3.14Å; P108-I551 HydrophobicContact CB-CD1 3.46Å; P108-I551 VanDerWaalsContact CB-CD1 3.46Å; P108-I551 HydrophobicContact CG-CD1 3.36Å
109Y89.1Confident93Very high10 Ų1030.2 Ų30.24%0.03919%0.185CC..G310 helixtrans-90.5-13.1-162.6-38.2-60.9000114.6G107 E111 H112 W114 I128 F321 L342 I346G107-Y109 PolarHBondContact O-N 3.4Å; Y109-E111 PolarHBondContact O-N 2.87Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; Y109-H112 PolarHBondContact O-N 2.79Å; Y109-W114 HydrophobicContact CD1-CE3 4.33Å; Y109-W114 AromaticContact CD2-CE3 3.98Å; Y109-W114 HydrophobicContact CD2-CE3 3.98Å; Y109-W114 HydrophobicContact CD2-CZ3 4.33Å; Y109-W114 AromaticContact CG-CE3 3.83Å; Y109-W114 HydrophobicContact CG-CE3 3.83Å; Y109-W114 HydrophobicContact CG-CZ3 4.38Å; Y109-I128 HydrophobicContact CE1-CD1 4.03Å; Y109-I128 HydrophobicContact CE2-CD1 4.3Å; Y109-I128 HydrophobicContact CE2-CG1 4.28Å; Y109-I128 WeakPolarHBondContact OH-CD1 3.4Å; Y109-F321 HydrophobicContact CD2-CB 3.99Å; Y109-F321 AromaticContact CD2-CD2 3.68Å; Y109-F321 HydrophobicContact CD2-CD2 3.68Å; Y109-F321 HydrophobicContact CD2-CG 4.13Å; Y109-F321 HydrophobicContact CE2-CB 3.75Å; Y109-F321 AromaticContact CE2-CD2 3.93Å; Y109-F321 HydrophobicContact CE2-CD2 3.93Å; Y109-F321 AromaticContact CE2-CG 3.96Å; Y109-F321 HydrophobicContact CE2-CG 3.96Å; Y109-L342 HydrophobicContact CE1-CB 4.46Å; Y109-I346 HydrophobicContact CD1-CG1 4.39Å; Y109-I346 HydrophobicContact CE1-CG1 4.35Å
110L84.8Confident92.9Very high10 Ų1030.9 Ų30.95%0.05219%0.189CC..G310 helixtrans-59.8-25.4-178.6-73.5176.6000114H112 P116 Y290 L293 T320L110-H112 VanDerWaalsContact C-N 3.33Å; L110-P116 HydrophobicContact CD2-CG 3.82Å; L110-Y290 HydrophobicContact CB-CE1 4.32Å; L110-Y290 HydrophobicContact CD1-CD1 3.73Å; L110-Y290 HydrophobicContact CD1-CE1 3.81Å; L110-L293 HydrophobicContact CD1-CD2 3.53Å; L110-L293 HydrophobicContact CG-CD2 4.11Å; L110-T320 HydrophobicContact CD2-CG2 3.57Å
111E85.8Confident92.8Very high41 Ų4129.4 Ų29.419%0.19218%0.183CC..G310 helixtrans-87.23.3-174.6-60-176.2174.400113.7Y109 P287 Y290 R568 R570Y109-E111 PolarHBondContact O-N 2.87Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; E111-P287 HydrophobicContact CG-CB 4.32Å; E111-Y290 WeakPolarHBondContact CG-OH 3.49Å; E111-Y290 PolarHBondContact OE1-OH 2.87Å; E111-R568 IonicContact OE1-CZ 3.4Å; E111-R568 IonicContact OE1-NH1 3.87Å; E111-R568 IonicContact OE1-NH2 2.69Å; E111-R568 PolarHBondContact OE1-NH2 2.92Å; E111-R570 IonicContact OE1-NH1 2.78Å; E111-R570 IonicContact OE2-CZ 2.76Å; E111-R570 IonicContact OE2-NH1 3.38Å; E111-R570 PolarHBondContact OE2-NH1 3.38Å
112H88.8Confident92.8Very high33 Ų3330.2 Ų30.215%0.15319%0.186CC..THydrogen-bonded Turntrans-154-120-177.257.893.9000113.8P108 Y109 L110 W114 P115 D343 R347P108-H112 PolarHBondContact O-NE2 3.28Å; Y109-H112 PolarHBondContact O-N 2.79Å; L110-H112 VanDerWaalsContact C-N 3.33Å; H112-W114 VanDerWaalsContact C-N 3.26Å; H112-W114 PolarHBondContact O-N 3.26Å; H112-P115 WeakPolarHBondContact O-CD 3.03Å; H112-D343 IonicContact CD2-OD1 3.93Å; H112-D343 IonicContact CE1-OD1 3.98Å; H112-D343 PolarHBondContact CE1-OD1 3.43Å; H112-D343 IonicContact NE2-OD1 3.74Å; H112-D343 PolarHBondContact NE2-OD1 3.34Å; H112-R347 VanDerWaalsContact CD2-CZ 3.41Å; H112-R347 PolarHBondContact CD2-NH2 3.49Å
113F92.7Very high92.8Very high90 Ų9035.9 Ų35.940%0.39521%0.212SC..THydrogen-bonded Turntrans-68.9-17.2-164-66.1-76.5000114.5P115 I346 R347 E350F113-P115 WeakPolarHBondContact O-CD 3.25Å; F113-I346 HydrophobicContact CB-CG2 4.39Å; F113-R347 HydrophobicContact CD2-CG 4.43Å; F113-R347 HydrophobicContact CE2-CB 4.29Å; F113-R347 HydrophobicContact CE2-CG 4.31Å; F113-E350 HydrophobicContact CD1-CB 3.93Å; F113-E350 WeakPolarHBondContact CD1-O 2.88Å; F113-E350 HydrophobicContact CE1-CB 3.63Å; F113-E350 HydrophobicContact CE1-CG 3.79Å; F113-E350 HydrophobicContact CZ-CB 4.08Å; F113-E350 HydrophobicContact CZ-CG 3.88Å
114W94.1Very high92.8Very high9 Ų936.2 Ų36.23%0.03421%0.213CC..  trans-122.665.6179.8-67.8-16.4000112.7Y109 H112 R124 I127 I128 F321 I346 G351Y109-W114 HydrophobicContact CD1-CE3 4.33Å; Y109-W114 AromaticContact CD2-CE3 3.98Å; Y109-W114 HydrophobicContact CD2-CE3 3.98Å; Y109-W114 HydrophobicContact CD2-CZ3 4.33Å; Y109-W114 AromaticContact CG-CE3 3.83Å; Y109-W114 HydrophobicContact CG-CE3 3.83Å; Y109-W114 HydrophobicContact CG-CZ3 4.38Å; H112-W114 VanDerWaalsContact C-N 3.26Å; H112-W114 PolarHBondContact O-N 3.26Å; W114-R124 VanDerWaalsContact CD1-NE 3.34Å; W114-R124 HydrophobicContact CD2-CB 4.33Å; W114-R124 HydrophobicContact CD2-CG 3.96Å; W114-R124 HydrophobicContact CE3-CB 4.44Å; W114-R124 HydrophobicContact CG-CG 4.18Å; W114-R124 HydrophobicContact CH2-CB 4.19Å; W114-R124 HydrophobicContact CZ2-CB 4.1Å; W114-R124 HydrophobicContact CZ2-CG 4.09Å; W114-R124 HydrophobicContact CZ3-CB 4.37Å; W114-I127 HydrophobicContact CH2-CB 4.03Å; W114-I127 HydrophobicContact CH2-CG2 3.87Å; W114-I127 HydrophobicContact CZ2-CB 3.94Å; W114-I127 HydrophobicContact CZ2-CD1 4.23Å; W114-I127 HydrophobicContact CZ2-CG2 3.75Å; W114-I128 HydrophobicContact CH2-CB 4.01Å; W114-I128 HydrophobicContact CH2-CD1 4.21Å; W114-I128 HydrophobicContact CZ3-CB 3.99Å; W114-I128 HydrophobicContact CZ3-CD1 3.9Å; W114-I128 HydrophobicContact CZ3-CG1 4.21Å; W114-F321 HydrophobicContact CE3-CD2 4.36Å; W114-F321 AromaticContact CE3-CE2 3.98Å; W114-F321 HydrophobicContact CE3-CE2 3.98Å; W114-F321 HydrophobicContact CZ3-CD2 4.48Å; W114-F321 HydrophobicContact CZ3-CE2 4.01Å; W114-I346 HydrophobicContact CD2-CG2 4.12Å; W114-I346 HydrophobicContact CE3-CD1 4.49Å; W114-I346 HydrophobicContact CE3-CG1 4.34Å; W114-I346 HydrophobicContact CE3-CG2 4.3Å; W114-I346 HydrophobicContact CH2-CD1 3.2Å; W114-I346 HydrophobicContact CH2-CG1 3.86Å; W114-I346 HydrophobicContact CZ2-CD1 3.52Å; W114-I346 HydrophobicContact CZ2-CG1 4.32Å; W114-I346 HydrophobicContact CZ3-CD1 3.75Å; W114-I346 HydrophobicContact CZ3-CG1 3.85Å; W114-G351 PolarHBondContact NE1-O 2.69Å
115P92.9Very high92.9Very high63 Ų6336.1 Ų36.141%0.40921%0.212SC..  trans-66.3163.2166.133.6-35000109.8H112 F113 A117 R124H112-P115 WeakPolarHBondContact O-CD 3.03Å; F113-P115 WeakPolarHBondContact O-CD 3.25Å; P115-A117 PolarHBondContact O-N 2.86Å; P115-R124 VanDerWaalsContact O-CZ 3.26Å; P115-R124 PolarHBondContact O-NH1 2.81Å; P115-R124 PolarHBondContact O-NH2 3.45Å
116P93.6Very high93.1Very high52 Ų5236 Ų3634%0.33821%0.211SC..  trans-52.2125.4176.7-23.633.1000111.2L110 D318 T320L110-P116 HydrophobicContact CD2-CG 3.82Å; P116-D318 CarbonylContact C-O 3.58Å; P116-D318 WeakPolarHBondContact CA-O 3.38Å; P116-D318 HydrophobicContact CB-CB 4.34Å; P116-T320 HydrophobicContact CB-CG2 4.08Å; P116-T320 HydrophobicContact CG-CG2 3.78Å
117A93Very high93.3Very high35 Ų3535.8 Ų35.829%0.28921%0.209SC..  trans-150.5112.8-178.600000110.3P115 S120 D318P115-A117 PolarHBondContact O-N 2.86Å; A117-S120 WeakPolarHBondContact O-CB 3.45Å; A117-S120 PolarHBondContact O-N 3.37Å; A117-S120 PolarHBondContact O-OG 2.94Å; A117-D318 CarbonylContact C-O 3.47Å; A117-D318 PolarHBondContact N-O 3.45Å; A117-D318 CarbonylContact O-C 3.57Å
118E91.3Very high93.6Very high99 Ų9935.6 Ų35.646%0.46321%0.207SC..THydrogen-bonded Turntrans-55.5144.2175-64.3-70.6168.500111.6S120 K282 Y284E118-S120 PolarHBondContact O-N 2.8Å; E118-S120 VanDerWaalsContact O-N 3.15Å; E118-K282 WeakPolarHBondContact OE1-CD 3.43Å; E118-K282 WeakPolarHBondContact OE1-CE 3.4Å; E118-K282 IonicContact OE1-NZ 3.18Å; E118-K282 PolarHBondContact OE1-NZ 2.8Å; E118-K282 WeakPolarHBondContact OE2-CE 3.34Å; E118-K282 IonicContact OE2-NZ 3.5Å; E118-K282 PolarHBondContact OE2-NZ 3.22Å; E118-Y284 PolarHBondContact OE1-OH 3.34Å
119G93.4Very high94.3Very high80 Ų8035.4 Ų35.483%0.82521%0.206SC*.THydrogen-bonded Turntrans74.5-6.918000000115.2
120S95.6Very high94.8Very high16 Ų1636.8 Ų36.811%0.11221%0.211CC..  trans-87.9-10.6179.173.70000114.4A117 E118 L122 Q123 R124A117-S120 WeakPolarHBondContact O-CB 3.45Å; A117-S120 PolarHBondContact O-N 3.37Å; A117-S120 PolarHBondContact O-OG 2.94Å; E118-S120 PolarHBondContact O-N 2.8Å; E118-S120 VanDerWaalsContact O-N 3.15Å; S120-L122 PolarHBondContact O-N 3.21Å; S120-Q123 PolarHBondContact O-N 2.85Å; S120-R124 WeakPolarHBondContact O-CG 3.23Å; S120-R124 PolarHBondContact O-N 2.96Å; S120-R124 VanDerWaalsContact OG-CZ 3.27Å; S120-R124 PolarHBondContact OG-NE 2.83Å; S120-R124 PolarHBondContact OG-NH1 2.69Å
121S96.7Very high95.4Very high17 Ų1736.8 Ų36.812%0.11921%0.21CC..Hα-helixtrans-55.3-53.6-168.1-175.80000113.7Q123 R124 T125 F316S121-Q123 PolarHBondContact O-N 3.39Å; S121-R124 PolarHBondContact O-N 3.1Å; S121-T125 VanDerWaalsContact O-CB 3.27Å; S121-T125 WeakPolarHBondContact O-CB 3.45Å; S121-T125 PolarHBondContact O-N 2.71Å; S121-T125 PolarHBondContact O-OG1 2.86Å; S121-F316 VanDerWaalsContact CB-O 3.25Å; S121-F316 WeakPolarHBondContact CB-O 3.35Å; S121-F316 PolarHBondContact OG-O 3.31Å
122L98.4Very high96Very high40 Ų4034.8 Ų34.821%0.20920%0.201CC..Hα-helixtrans-66.8-40-177.1-60.7-176.5000112.6S120 T125 S126 L218 L221 I222 K225 L278S120-L122 PolarHBondContact O-N 3.21Å; L122-T125 PolarHBondContact O-N 2.77Å; L122-S126 PolarHBondContact O-N 3.32Å; L122-L218 HydrophobicContact CB-CD1 3.74Å; L122-L221 HydrophobicContact CD2-CB 4.31Å; L122-I222 HydrophobicContact CD1-CG1 3.87Å; L122-K225 HydrophobicContact CD1-CB 4.14Å; L122-K225 HydrophobicContact CD1-CG 4.27Å; L122-L278 HydrophobicContact CD2-CD1 4.25Å; L122-L278 HydrophobicContact CD2-CD2 4.33Å
123Q98.3Very high96.5Very high118 Ų11833.2 Ų33.255%0.55119%0.194SC*.Hα-helixtrans-64-45.2177.8-173.3-177.614.300111.4S120 S121 T125 S126 I127S120-Q123 PolarHBondContact O-N 2.85Å; S121-Q123 PolarHBondContact O-N 3.39Å; Q123-T125 VanDerWaalsContact C-N 3.31Å; Q123-T125 PolarHBondContact O-N 2.67Å; Q123-S126 PolarHBondContact O-N 2.82Å; Q123-S126 PolarHBondContact O-OG 3.03Å; Q123-I127 WeakPolarHBondContact O-CG1 3.35Å; Q123-I127 PolarHBondContact O-N 3Å
124R98.3Very high96.8Very high20 Ų2031.9 Ų31.98%0.07519%0.189CC..Hα-helixtrans-66.5-36.7175.3-66.8179.4176.8174.41.8111.4W114 P115 S120 S121 S126 I127 I128 G319 F321W114-R124 VanDerWaalsContact CD1-NE 3.34Å; W114-R124 HydrophobicContact CD2-CB 4.33Å; W114-R124 HydrophobicContact CD2-CG 3.96Å; W114-R124 HydrophobicContact CE3-CB 4.44Å; W114-R124 HydrophobicContact CG-CG 4.18Å; W114-R124 HydrophobicContact CH2-CB 4.19Å; W114-R124 HydrophobicContact CZ2-CB 4.1Å; W114-R124 HydrophobicContact CZ2-CG 4.09Å; W114-R124 HydrophobicContact CZ3-CB 4.37Å; P115-R124 VanDerWaalsContact O-CZ 3.26Å; P115-R124 PolarHBondContact O-NH1 2.81Å; P115-R124 PolarHBondContact O-NH2 3.45Å; S120-R124 WeakPolarHBondContact O-CG 3.23Å; S120-R124 PolarHBondContact O-N 2.96Å; S120-R124 VanDerWaalsContact OG-CZ 3.27Å; S120-R124 PolarHBondContact OG-NE 2.83Å; S120-R124 PolarHBondContact OG-NH1 2.69Å; S121-R124 PolarHBondContact O-N 3.1Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 2.98Å; R124-I127 PolarHBondContact O-N 2.7Å; R124-I128 PolarHBondContact O-N 2.96Å; R124-G319 VanDerWaalsContact CD-O 3.31Å; R124-G319 WeakPolarHBondContact CD-O 3.39Å; R124-G319 PolarHBondContact NH1-O 2.82Å; R124-F321 HydrophobicContact CB-CE2 3.65Å; R124-F321 HydrophobicContact CB-CZ 3.53Å
125T98.8Very high97Very high0 Ų031.5 Ų31.50%019%0.187CC..Hα-helixtrans-63.2-39.5178.2-58.60000111S121 L122 Q123 T129 L221 I276 L278 A315S121-T125 VanDerWaalsContact O-CB 3.27Å; S121-T125 WeakPolarHBondContact O-CB 3.45Å; S121-T125 PolarHBondContact O-N 2.71Å; S121-T125 PolarHBondContact O-OG1 2.86Å; L122-T125 PolarHBondContact O-N 2.77Å; Q123-T125 VanDerWaalsContact C-N 3.31Å; Q123-T125 PolarHBondContact O-N 2.67Å; T125-T129 WeakPolarHBondContact O-CB 3.45Å; T125-T129 PolarHBondContact O-N 3.38Å; T125-T129 PolarHBondContact O-OG1 2.8Å; T125-L221 HydrophobicContact CG2-CD1 3.64Å; T125-L221 HydrophobicContact CG2-CD2 4.25Å; T125-I276 HydrophobicContact CG2-CG2 4Å; T125-L278 HydrophobicContact CG2-CD2 4.23Å; T125-A315 HydrophobicContact CG2-CB 4.12Å; T125-A315 WeakPolarHBondContact OG1-CB 3.27Å
126S98.9Very high97.3Very high3 Ų328.9 Ų28.92%0.02117%0.169CC..Hα-helixtrans-65.9-41.3176.379.30000112.2L122 Q123 R124 W130 P214 L217L122-S126 PolarHBondContact O-N 3.32Å; Q123-S126 PolarHBondContact O-N 2.82Å; Q123-S126 PolarHBondContact O-OG 3.03Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 2.98Å; S126-W130 PolarHBondContact O-N 3.27Å; S126-P214 WeakPolarHBondContact CB-O 3.35Å; S126-P214 PolarHBondContact OG-O 3.09Å; S126-P214 VanDerWaalsContact OG-O 3.1Å; S126-L217 WeakPolarHBondContact O-CD1 3.38Å
127I98.7Very high97.6Very high4 Ų428.6 Ų28.62%0.02117%0.165CC..Hα-helixtrans-66.7-45.3177.4-64.4167.6000111.3W114 Q123 R124 T129 W130 H131 P214 I346 W353W114-I127 HydrophobicContact CH2-CB 4.03Å; W114-I127 HydrophobicContact CH2-CG2 3.87Å; W114-I127 HydrophobicContact CZ2-CB 3.94Å; W114-I127 HydrophobicContact CZ2-CD1 4.23Å; W114-I127 HydrophobicContact CZ2-CG2 3.75Å; Q123-I127 WeakPolarHBondContact O-CG1 3.35Å; Q123-I127 PolarHBondContact O-N 3Å; R124-I127 PolarHBondContact O-N 2.7Å; I127-T129 VanDerWaalsContact C-N 3.34Å; I127-W130 WeakPolarHBondContact O-CB 3.17Å; I127-W130 PolarHBondContact O-N 3.05Å; I127-H131 PolarHBondContact O-CD2 3.03Å; I127-H131 VanDerWaalsContact O-CD2 3.22Å; I127-H131 PolarHBondContact O-N 2.96Å; I127-H131 VanDerWaalsContact O-N 3.1Å; I127-P214 HydrophobicContact CG1-CB 4.07Å; I127-P214 HydrophobicContact CG1-CG 4.49Å; I127-I346 HydrophobicContact CG2-CD1 3.78Å; I127-W353 HydrophobicContact CG1-CB 4.43Å
128I98.2Very high97.8Very high2 Ų228.2 Ų28.21%0.0116%0.158CC..Hα-helixtrans-71.2-34-178.3-154.757.1000111.9Y109 W114 R124 H131 T132 F321 L342 I346Y109-I128 HydrophobicContact CE1-CD1 4.03Å; Y109-I128 HydrophobicContact CE2-CD1 4.3Å; Y109-I128 HydrophobicContact CE2-CG1 4.28Å; Y109-I128 WeakPolarHBondContact OH-CD1 3.4Å; W114-I128 HydrophobicContact CH2-CB 4.01Å; W114-I128 HydrophobicContact CH2-CD1 4.21Å; W114-I128 HydrophobicContact CZ3-CB 3.99Å; W114-I128 HydrophobicContact CZ3-CD1 3.9Å; W114-I128 HydrophobicContact CZ3-CG1 4.21Å; R124-I128 PolarHBondContact O-N 2.96Å; I128-H131 PolarHBondContact O-N 2.88Å; I128-T132 WeakPolarHBondContact O-CB 3.33Å; I128-T132 PolarHBondContact O-N 3.35Å; I128-T132 PolarHBondContact O-OG1 3.43Å; I128-F321 HydrophobicContact CG2-CD1 4.09Å; I128-F321 HydrophobicContact CG2-CE1 3.64Å; I128-F321 HydrophobicContact CG2-CZ 4.1Å; I128-L342 HydrophobicContact CD1-CB 3.84Å; I128-L342 HydrophobicContact CD1-CD1 4.08Å; I128-L342 HydrophobicContact CD1-CD2 4.41Å; I128-L342 HydrophobicContact CD1-CG 4.32Å; I128-L342 HydrophobicContact CG1-CD1 4.22Å; I128-I346 HydrophobicContact CD1-CD1 4.11Å; I128-I346 HydrophobicContact CD1-CG1 3.98Å
129T98.9Very high98.2Very high2 Ų223.5 Ų23.51%0.01214%0.136CC..Hα-helixtrans-61.8-45.5172.4-61.50000110T125 I127 H131 T132 L133 L192 L217 F274 I276T125-T129 WeakPolarHBondContact O-CB 3.45Å; T125-T129 PolarHBondContact O-N 3.38Å; T125-T129 PolarHBondContact O-OG1 2.8Å; I127-T129 VanDerWaalsContact C-N 3.34Å; T129-H131 PolarHBondContact O-N 2.94Å; T129-T132 WeakPolarHBondContact O-CB 3.42Å; T129-T132 PolarHBondContact O-N 3.43Å; T129-T132 VanDerWaalsContact O-N 3.16Å; T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.45Å; T129-L133 VanDerWaalsContact O-CG 3.26Å; T129-L133 WeakPolarHBondContact O-CG 3.48Å; T129-L133 PolarHBondContact O-N 2.88Å; T129-L192 HydrophobicContact CG2-CD1 3.84Å; T129-L217 HydrophobicContact CG2-CD1 3.93Å; T129-L217 HydrophobicContact CG2-CD2 3.94Å; T129-F274 HydrophobicContact CG2-CZ 4.15Å; T129-I276 HydrophobicContact CG2-CD1 3.91Å
130W98.9Very high98.4Very high39 Ų3921.2 Ų21.215%0.14810%0.103CC..Hα-helixtrans-54.8-50.6174166.3-100.1000112.8S126 I127 T132 L133 Q134 I211 L212 P214 L217 W353S126-W130 PolarHBondContact O-N 3.27Å; I127-W130 WeakPolarHBondContact O-CB 3.17Å; I127-W130 PolarHBondContact O-N 3.05Å; W130-T132 VanDerWaalsContact C-N 3.28Å; W130-T132 PolarHBondContact O-N 3.17Å; W130-L133 PolarHBondContact O-N 3.39Å; W130-Q134 HydrophobicContact CD2-CG 4.35Å; W130-Q134 HydrophobicContact CZ2-CG 4.34Å; W130-Q134 VanDerWaalsContact O-CG 3.25Å; W130-Q134 WeakPolarHBondContact O-CG 3.48Å; W130-Q134 PolarHBondContact O-N 2.9Å; W130-I211 HydrophobicContact CE3-CB 4.34Å; W130-I211 HydrophobicContact CE3-CG2 3.58Å; W130-I211 HydrophobicContact CH2-CB 4.42Å; W130-I211 HydrophobicContact CH2-CG2 4.49Å; W130-I211 HydrophobicContact CZ3-CB 3.73Å; W130-I211 HydrophobicContact CZ3-CG2 3.48Å; W130-I211 VanDerWaalsContact CZ3-CG2 3.48Å; W130-L212 WeakPolarHBondContact CZ3-O 3.3Å; W130-P214 HydrophobicContact CB-CG 3.72Å; W130-P214 HydrophobicContact CD2-CG 4.3Å; W130-P214 HydrophobicContact CG-CG 3.79Å; W130-L217 HydrophobicContact CB-CD1 3.94Å; W130-W353 HydrophobicContact CZ2-CH2 4.32Å; W130-W353 HydrophobicContact CZ2-CZ3 4.26Å; W130-W353 AromaticContact NE1-CZ3 3.94Å
131H98.7Very high98.5Very high9 Ų922.9 Ų22.94%0.04211%0.112CC..Hα-helixtrans-66.7-31.7179.1-68.8-55.6000112.6I127 I128 T129 Q134 Y135 L342 Q345I127-H131 PolarHBondContact O-CD2 3.03Å; I127-H131 VanDerWaalsContact O-CD2 3.22Å; I127-H131 PolarHBondContact O-N 2.96Å; I127-H131 VanDerWaalsContact O-N 3.1Å; I128-H131 PolarHBondContact O-N 2.88Å; T129-H131 PolarHBondContact O-N 2.94Å; H131-Q134 WeakPolarHBondContact O-CB 3.27Å; H131-Q134 PolarHBondContact O-N 2.9Å; H131-Y135 PolarHBondContact O-N 3.47Å; H131-Y135 VanDerWaalsContact O-N 3.07Å; H131-L342 HydrophobicContact CB-CD2 3.47Å; H131-L342 VanDerWaalsContact CB-CD2 3.47Å; H131-L342 WeakPolarHBondContact O-CD2 3.24Å; H131-Q345 HydrophobicContact CB-CB 4.4Å
132T98.8Very high98.6Very high0 Ų022.7 Ų22.70%011%0.109CC..Hα-helixtrans-65.1-41173.2-56.80000111I128 T129 W130 Y135 W136 Y163 F274 Y311 M338I128-T132 WeakPolarHBondContact O-CB 3.33Å; I128-T132 PolarHBondContact O-N 3.35Å; I128-T132 PolarHBondContact O-OG1 3.43Å; T129-T132 WeakPolarHBondContact O-CB 3.42Å; T129-T132 PolarHBondContact O-N 3.43Å; T129-T132 VanDerWaalsContact O-N 3.16Å; W130-T132 VanDerWaalsContact C-N 3.28Å; W130-T132 PolarHBondContact O-N 3.17Å; T132-Y135 PolarHBondContact O-N 3.38Å; T132-W136 PolarHBondContact O-N 2.73Å; T132-Y163 HydrophobicContact CG2-CE1 4Å; T132-Y163 PolarHBondContact O-OH 3.07Å; T132-F274 HydrophobicContact CG2-CD1 4.03Å; T132-F274 HydrophobicContact CG2-CE1 3.44Å; T132-F274 VanDerWaalsContact CG2-CE1 3.44Å; T132-F274 HydrophobicContact CG2-CE2 4.21Å; T132-F274 HydrophobicContact CG2-CZ 3.54Å; T132-Y311 HydrophobicContact CG2-CE1 3.95Å; T132-M338 HydrophobicContact CG2-SD 4.02Å
133L98.9Very high98.6Very high0 Ų027.7 Ų27.70%013%0.125CC..Hα-helixtrans-68.3-34.1175.2-65.1167.2000112.3T129 W130 Y135 W136 D137 L192 A205 I211 L217 L273 F274T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.45Å; T129-L133 VanDerWaalsContact O-CG 3.26Å; T129-L133 WeakPolarHBondContact O-CG 3.48Å; T129-L133 PolarHBondContact O-N 2.88Å; W130-L133 PolarHBondContact O-N 3.39Å; L133-Y135 VanDerWaalsContact C-N 3.31Å; L133-Y135 PolarHBondContact O-N 3.13Å; L133-W136 HydrophobicContact CD2-CE3 4.46Å; L133-W136 WeakPolarHBondContact O-CB 3.26Å; L133-W136 PolarHBondContact O-N 3.36Å; L133-D137 PolarHBondContact O-N 3.05Å; L133-L192 HydrophobicContact CD1-CD1 4.37Å; L133-L192 HydrophobicContact CD2-CD2 4.44Å; L133-A205 HydrophobicContact CD1-CB 3.84Å; L133-A205 HydrophobicContact CD2-CB 3.58Å; L133-A205 HydrophobicContact CG-CB 4.36Å; L133-I211 HydrophobicContact CB-CD1 4.27Å; L133-I211 HydrophobicContact CB-CG2 3.68Å; L133-I211 HydrophobicContact CD1-CG2 3.74Å; L133-I211 HydrophobicContact CG-CG2 4.33Å; L133-L217 HydrophobicContact CD1-CD1 4.26Å; L133-L217 HydrophobicContact CD1-CD2 4.34Å; L133-L273 HydrophobicContact CD2-CD1 3.41Å; L133-L273 VanDerWaalsContact CD2-CD1 3.41Å; L133-F274 HydrophobicContact CD2-CE1 4.17Å
134Q98.8Very high98.5Very high62 Ų6223.2 Ų23.229%0.2911%0.105SC..Hα-helixtrans-62.6-38.6171.8-65.2-104.8-67.400111.6W130 H131 D137 L138W130-Q134 HydrophobicContact CD2-CG 4.35Å; W130-Q134 HydrophobicContact CZ2-CG 4.34Å; W130-Q134 VanDerWaalsContact O-CG 3.25Å; W130-Q134 WeakPolarHBondContact O-CG 3.48Å; W130-Q134 PolarHBondContact O-N 2.9Å; H131-Q134 WeakPolarHBondContact O-CB 3.27Å; H131-Q134 PolarHBondContact O-N 2.9Å; Q134-D137 PolarHBondContact O-N 3.29Å; Q134-L138 WeakPolarHBondContact O-CG 3.36Å; Q134-L138 PolarHBondContact O-N 2.96Å
135Y98.8Very high98.5Very high1 Ų125.7 Ų25.70%0.00413%0.13CC..Hα-helixtrans-68.1-39.4175.1-166.6-95.8000112.4H131 T132 L133 D137 L138 L139 L144 F159 L162 Y163 S337 M338 Y341H131-Y135 PolarHBondContact O-N 3.47Å; H131-Y135 VanDerWaalsContact O-N 3.07Å; T132-Y135 PolarHBondContact O-N 3.38Å; L133-Y135 VanDerWaalsContact C-N 3.31Å; L133-Y135 PolarHBondContact O-N 3.13Å; Y135-D137 VanDerWaalsContact C-N 3.34Å; Y135-D137 PolarHBondContact O-N 3.3Å; Y135-L138 WeakPolarHBondContact O-CB 3.31Å; Y135-L138 PolarHBondContact O-N 2.78Å; Y135-L139 HydrophobicContact CD1-CD1 4.29Å; Y135-L139 HydrophobicContact CE1-CD1 3.98Å; Y135-L139 HydrophobicContact CE1-CG 4.24Å; Y135-L139 PolarHBondContact O-N 3.41Å; Y135-L144 HydrophobicContact CE2-CD1 3.65Å; Y135-L144 HydrophobicContact CE2-CD2 4.4Å; Y135-L144 VanDerWaalsContact OH-CD2 3.26Å; Y135-L144 WeakPolarHBondContact OH-CD2 3.49Å; Y135-F159 VanDerWaalsContact OH-CE1 3.3Å; Y135-F159 WeakPolarHBondContact OH-CE1 3.38Å; Y135-L162 HydrophobicContact CD1-CD2 4Å; Y135-L162 HydrophobicContact CE1-CD2 3.74Å; Y135-Y163 HydrophobicContact CD1-CE2 4.08Å; Y135-Y163 WeakPolarHBondContact CD1-OH 3.45Å; Y135-S337 PolarHBondContact OH-OG 3.35Å; Y135-M338 HydrophobicContact CD1-CB 3.95Å; Y135-M338 HydrophobicContact CD1-CG 3.67Å; Y135-M338 HydrophobicContact CD1-SD 4.48Å; Y135-M338 HydrophobicContact CE1-CB 3.76Å; Y135-M338 HydrophobicContact CE1-CG 4.04Å; Y135-M338 HydrophobicContact CG-CB 4.45Å; Y135-M338 HydrophobicContact CG-CG 3.96Å; Y135-Y341 AromaticContact CD2-CD1 3.51Å; Y135-Y341 HydrophobicContact CD2-CD1 3.51Å; Y135-Y341 HydrophobicContact CD2-CD2 4.22Å; Y135-Y341 HydrophobicContact CD2-CE1 4.11Å; Y135-Y341 AromaticContact CD2-CG 3.58Å; Y135-Y341 HydrophobicContact CD2-CG 3.58Å; Y135-Y341 HydrophobicContact CE2-CD1 4.44Å; Y135-Y341 HydrophobicContact CE2-CG 4.12Å; Y135-Y341 HydrophobicContact CG-CD1 4.14Å
136W98.8Very high98.4Very high7 Ų726.2 Ų26.23%0.02713%0.133CC..Hα-helixtrans-58-44.4170.3165.872.1000112.2T132 L133 L139 R140 Y163 L206 L273T132-W136 PolarHBondContact O-N 2.73Å; L133-W136 HydrophobicContact CD2-CE3 4.46Å; L133-W136 WeakPolarHBondContact O-CB 3.26Å; L133-W136 PolarHBondContact O-N 3.36Å; W136-L139 PolarHBondContact O-N 3.43Å; W136-R140 HydrophobicContact CD2-CG 4.46Å; W136-R140 HydrophobicContact CZ2-CG 4.37Å; W136-R140 VanDerWaalsContact NE1-CD 3.29Å; W136-R140 PolarHBondContact O-N 3.19Å; W136-Y163 VanDerWaalsContact CA-CE2 3.46Å; W136-Y163 HydrophobicContact CB-CD1 4.24Å; W136-Y163 HydrophobicContact CB-CD2 3.97Å; W136-Y163 HydrophobicContact CB-CE1 3.94Å; W136-Y163 HydrophobicContact CB-CE2 3.63Å; W136-Y163 HydrophobicContact CB-CG 4.25Å; W136-Y163 AromaticContact CD1-CD2 3.78Å; W136-Y163 AromaticContact CD1-CG 3.76Å; W136-Y163 HydrophobicContact CG-CD2 4.29Å; W136-Y163 HydrophobicContact CG-CE2 4.42Å; W136-Y163 HydrophobicContact CG-CG 4.35Å; W136-Y163 PolarHBondContact N-OH 3.28Å; W136-L206 HydrophobicContact CH2-CD1 3.99Å; W136-L206 HydrophobicContact CH2-CD2 4.22Å; W136-L206 HydrophobicContact CH2-CG 4.18Å; W136-L206 HydrophobicContact CZ3-CD2 3.93Å; W136-L206 HydrophobicContact CZ3-CG 4.35Å; W136-L273 HydrophobicContact CD2-CD1 4.33Å; W136-L273 HydrophobicContact CD2-CD2 3.84Å; W136-L273 HydrophobicContact CE3-CD1 4.44Å; W136-L273 HydrophobicContact CG-CD2 3.97Å; W136-L273 HydrophobicContact CZ2-CD1 4.48Å; W136-L273 HydrophobicContact CZ2-CD2 3.74Å
137D98.6Very high98.3Very high46 Ų4628.2 Ų28.225%0.24614%0.142CC..Hα-helixtrans-64-40.2176.2-179.770.9000112.2L133 Q134 Y135 L139 R140 T141 R143 I211L133-D137 PolarHBondContact O-N 3.05Å; Q134-D137 PolarHBondContact O-N 3.29Å; Y135-D137 VanDerWaalsContact C-N 3.34Å; Y135-D137 PolarHBondContact O-N 3.3Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.13Å; D137-R140 PolarHBondContact O-N 3.12Å; D137-T141 WeakPolarHBondContact O-CB 3.48Å; D137-T141 WeakPolarHBondContact O-CG2 3.32Å; D137-T141 PolarHBondContact O-N 2.85Å; D137-T141 PolarHBondContact O-OG1 3.25Å; D137-R143 IonicContact OD2-CZ 2.71Å; D137-R143 IonicContact OD2-NH2 3.73Å; D137-R143 PolarHBondContact OD2-NH2 3.43Å; D137-I211 HydrophobicContact CB-CD1 4.05Å
138L98.6Very high98.2Very high28 Ų2831.8 Ų31.815%0.14716%0.158CC..Hα-helixtrans-58.2-40.5172.7-72.8173000112.1Q134 Y135 E142 R143 L144 Y341Q134-L138 WeakPolarHBondContact O-CG 3.36Å; Q134-L138 PolarHBondContact O-N 2.96Å; Y135-L138 WeakPolarHBondContact O-CB 3.31Å; Y135-L138 PolarHBondContact O-N 2.78Å; L138-E142 CarbonylContact O-C 3.51Å; L138-E142 PolarHBondContact O-N 3.45Å; L138-R143 HydrophobicContact CD2-CB 3.79Å; L138-R143 PolarHBondContact O-N 3.02Å; L138-L144 HydrophobicContact CB-CB 4.46Å; L138-L144 PolarHBondContact O-N 3.43Å; L138-Y341 HydrophobicContact CD1-CD2 4.48Å; L138-Y341 HydrophobicContact CD1-CE2 3.8Å
139L98.5Very high97.9Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-69.5-47174.9-78.4-178.5000112.2T13 F14 Y135 W136 D137 T141 E142 L144 F159 L162 Y163 F180T13-L139 HydrophobicContact CG2-CD2 4.1Å; F14-L139 HydrophobicContact CZ-CD2 4.49Å; Y135-L139 HydrophobicContact CD1-CD1 4.29Å; Y135-L139 HydrophobicContact CE1-CD1 3.98Å; Y135-L139 HydrophobicContact CE1-CG 4.24Å; Y135-L139 PolarHBondContact O-N 3.41Å; W136-L139 PolarHBondContact O-N 3.43Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.13Å; L139-T141 VanDerWaalsContact C-N 3.3Å; L139-T141 PolarHBondContact O-N 3.41Å; L139-E142 PolarHBondContact O-N 2.89Å; L139-L144 HydrophobicContact CD2-CB 4.01Å; L139-L144 HydrophobicContact CD2-CD2 3.37Å; L139-L144 HydrophobicContact CD2-CG 4.32Å; L139-L144 HydrophobicContact CG-CD2 4.22Å; L139-F159 HydrophobicContact CD1-CB 4.34Å; L139-F159 HydrophobicContact CD2-CB 3.94Å; L139-F159 HydrophobicContact CD2-CD1 4.23Å; L139-F159 HydrophobicContact CD2-CG 4.42Å; L139-L162 HydrophobicContact CD1-CD2 4.34Å; L139-Y163 HydrophobicContact CD1-CD2 3.97Å; L139-Y163 HydrophobicContact CD1-CE2 3.81Å; L139-F180 HydrophobicContact CB-CE2 4.24Å; L139-F180 HydrophobicContact CB-CZ 3.88Å
140R98.2Very high97.6Very high32 Ų3237.4 Ų37.412%0.12121%0.212CC..Hα-helixtrans-59.8-42-179.9-82.8-1635670.8-10.1112W136 D137 E142 F180 K181 T182 V183 G186 C188W136-R140 HydrophobicContact CD2-CG 4.46Å; W136-R140 HydrophobicContact CZ2-CG 4.37Å; W136-R140 VanDerWaalsContact NE1-CD 3.29Å; W136-R140 PolarHBondContact O-N 3.19Å; D137-R140 PolarHBondContact O-N 3.12Å; R140-E142 PolarHBondContact O-N 3.04Å; R140-F180 HydrophobicContact CG-CE2 3.71Å; R140-F180 HydrophobicContact CG-CZ 4.18Å; R140-K181 PolarHBondContact NH1-O 3.01Å; R140-T182 PolarHBondContact NH1-O 3.41Å; R140-T182 CarbonylContact O-C 3.5Å; R140-T182 WeakPolarHBondContact O-CA 3.39Å; R140-T182 WeakPolarHBondContact O-CB 3.45Å; R140-V183 HydrophobicContact CB-CG2 4.31Å; R140-V183 PolarHBondContact O-N 2.64Å; R140-G186 PolarHBondContact NH2-O 2.94Å; R140-C188 VanDerWaalsContact CZ-CB 3.48Å
141T98.3Very high97.4Very high50 Ų5044.9 Ų44.931%0.30725%0.246SC..THydrogen-bonded Turntrans-85.73.3179.558.40000113.1D137 L139 R143 V183D137-T141 WeakPolarHBondContact O-CB 3.48Å; D137-T141 WeakPolarHBondContact O-CG2 3.32Å; D137-T141 PolarHBondContact O-N 2.85Å; D137-T141 PolarHBondContact O-OG1 3.25Å; L139-T141 VanDerWaalsContact C-N 3.3Å; L139-T141 PolarHBondContact O-N 3.41Å; T141-R143 PolarHBondContact O-N 3.39Å; T141-R143 WeakPolarHBondContact OG1-CG 3.46Å; T141-R143 PolarHBondContact OG1-NE 3.16Å; T141-V183 HydrophobicContact CG2-CG2 4.11Å
142E98.4Very high97.2Very high13 Ų1348 Ų486%0.06127%0.266CS..THydrogen-bonded Turntrans55.331.6-179.4-58.2176.2-121.400113.8R12 T13 F14 L138 L139 R140 T182 S184R12-E142 WeakPolarHBondContact CA-O 3.35Å; R12-E142 HydrophobicContact CB-CB 4.09Å; R12-E142 HydrophobicContact CG-CB 4.35Å; R12-E142 IonicContact CZ-OE1 3.93Å; R12-E142 IonicContact CZ-OE2 3.45Å; R12-E142 VanDerWaalsContact CZ-OE2 3.29Å; R12-E142 IonicContact NE-OE1 3.69Å; R12-E142 IonicContact NE-OE2 3.32Å; R12-E142 PolarHBondContact NE-OE2 2.9Å; R12-E142 IonicContact NH2-OE1 2.77Å; R12-E142 PolarHBondContact NH2-OE1 3.19Å; R12-E142 IonicContact NH2-OE2 2.98Å; R12-E142 PolarHBondContact NH2-OE2 3.25Å; T13-E142 PolarHBondContact N-O 3.28Å; T13-E142 VanDerWaalsContact OG1-CA 3.23Å; T13-E142 WeakPolarHBondContact OG1-CA 3.47Å; T13-E142 PolarHBondContact OG1-O 3.3Å; F14-E142 HydrophobicContact CD2-CG 3.91Å; F14-E142 HydrophobicContact CE2-CG 4.21Å; L138-E142 CarbonylContact O-C 3.51Å; L138-E142 PolarHBondContact O-N 3.45Å; L139-E142 PolarHBondContact O-N 2.89Å; R140-E142 PolarHBondContact O-N 3.04Å; E142-T182 HydrophobicContact CG-CG2 3.68Å; E142-T182 PolarHBondContact OE1-OG1 3.2Å; E142-S184 PolarHBondContact OE1-OG 2.87Å
143R97.9Very high97.1Very high146 Ų14649.5 Ų49.555%0.55128%0.275SS*.  trans-92.4-7.2177.4-65.4-173.6-63.4131.5-2.9113.2D137 L138 T141 A145D137-R143 IonicContact OD2-CZ 2.71Å; D137-R143 IonicContact OD2-NH2 3.73Å; D137-R143 PolarHBondContact OD2-NH2 3.43Å; L138-R143 HydrophobicContact CD2-CB 3.79Å; L138-R143 PolarHBondContact O-N 3.02Å; T141-R143 PolarHBondContact O-N 3.39Å; T141-R143 WeakPolarHBondContact OG1-CG 3.46Å; T141-R143 PolarHBondContact OG1-NE 3.16Å; R143-A145 PolarHBondContact O-N 3.31Å
144L97.5Very high97.1Very high23 Ų2350.6 Ų50.612%0.1228%0.281CS..SBendtrans-67124.2169.6-177.569.9000109.2T13 Y135 L138 L139 M156 F159T13-L144 VanDerWaalsContact CA-O 3.29Å; T13-L144 WeakPolarHBondContact CA-O 3.41Å; T13-L144 WeakPolarHBondContact CB-O 2.94Å; T13-L144 HydrophobicContact CG2-CB 4.09Å; T13-L144 HydrophobicContact CG2-CD2 4.38Å; T13-L144 PolarHBondContact OG1-N 3.3Å; T13-L144 PolarHBondContact OG1-O 3.24Å; Y135-L144 HydrophobicContact CE2-CD1 3.65Å; Y135-L144 HydrophobicContact CE2-CD2 4.4Å; Y135-L144 VanDerWaalsContact OH-CD2 3.26Å; Y135-L144 WeakPolarHBondContact OH-CD2 3.49Å; L138-L144 HydrophobicContact CB-CB 4.46Å; L138-L144 PolarHBondContact O-N 3.43Å; L139-L144 HydrophobicContact CD2-CB 4.01Å; L139-L144 HydrophobicContact CD2-CD2 3.37Å; L139-L144 HydrophobicContact CD2-CG 4.32Å; L139-L144 HydrophobicContact CG-CD2 4.22Å; L144-M156 HydrophobicContact CD2-CE 4.06Å; L144-F159 HydrophobicContact CD2-CD1 3.77Å; L144-F159 HydrophobicContact CD2-CE1 3.94Å; L144-F159 HydrophobicContact CD2-CG 4.5Å
145A96.7Very high97.1Very high72 Ų7247.7 Ų47.760%0.59527%0.267SS*.PPolyproline II helixtrans-59.7131.6-179.200000111.4R143 Q147R143-A145 PolarHBondContact O-N 3.31Å; A145-Q147 PolarHBondContact O-N 2.86Å
146P97.3Very high97.1Very high12 Ų1247.7 Ų47.78%0.07827%0.267CS..PPolyproline II helixtrans-57133.7172.4-24.833.9000111.3E11 R12 Y16E11-P146 HydrophobicContact CB-CG 4.11Å; R12-P146 VanDerWaalsContact O-CG 3.29Å; R12-P146 WeakPolarHBondContact O-CG 3.45Å; Y16-P146 HydrophobicContact CD2-CB 3.98Å; Y16-P146 HydrophobicContact CD2-CG 4.19Å; Y16-P146 HydrophobicContact CE2-CB 4.24Å; Y16-P146 HydrophobicContact CE2-CG 4.24Å
147Q97.1Very high97.1Very high45 Ų4548.4 Ų48.421%0.2127%0.272CS..PPolyproline II helixtrans-74.6143.7176.8-65.8-172-8.700110.7A145 L154 M156 S337A145-Q147 PolarHBondContact O-N 2.86Å; Q147-L154 HydrophobicContact CB-CB 4.41Å; Q147-L154 HydrophobicContact CB-CD1 4.43Å; Q147-L154 PolarHBondContact O-N 3.4Å; Q147-M156 HydrophobicContact CB-SD 3.72Å; Q147-M156 HydrophobicContact CG-CE 4.09Å; Q147-M156 HydrophobicContact CG-SD 3.73Å; Q147-M156 PolarHBondContact N-SD 3.1Å; Q147-M156 VanDerWaalsContact N-SD 3.41Å; Q147-S337 PolarHBondContact NE2-OG 3.18Å
148K96.5Very high97.1Very high79 Ų7946.7 Ų46.734%0.34326%0.262SS..EExtended strand (participates in β ladder)trans-137.3141.9-177.4-63177.2179.5171.10111E11 T152E11-K148 IonicContact OE1-NZ 2.77Å; E11-K148 PolarHBondContact OE1-NZ 3.21Å; E11-K148 IonicContact OE2-NZ 3.79Å; E11-K148 PolarHBondContact OE2-NZ 3.04Å; K148-T152 CarbonylContact C-O 3.5Å; K148-T152 WeakPolarHBondContact CA-O 3.36Å; K148-T152 WeakPolarHBondContact CB-O 3.48Å
149A92.6Very high97.1Very high45 Ų4545.4 Ų45.437%0.37226%0.255SS..EExtended strand (participates in β ladder)trans-96.3101.9164.500000108.4K151 T152 L154A149-K151 PolarHBondContact O-N 3.12Å; A149-K151 VanDerWaalsContact O-N 3.07Å; A149-T152 PolarHBondContact N-O 2.84Å; A149-T152 PolarHBondContact O-N 3.44Å; A149-L154 HydrophobicContact CB-CD1 4.4Å; A149-L154 HydrophobicContact CB-CD2 4.06Å; A149-L154 HydrophobicContact CB-CG 4.41Å
150G92.6Very high97.1Very high77 Ų7747.3 Ų47.379%0.79426%0.262SS*.THydrogen-bonded Turntrans62.8-109.8-166.400000110.2
151K93.1Very high97.1Very high196 Ų19647.4 Ų47.485%0.85227%0.265SS*.THydrogen-bonded Turntrans-102.5-10.2176.2-64.4-176.8-179.3179.70113.7A149 P153A149-K151 PolarHBondContact O-N 3.12Å; A149-K151 VanDerWaalsContact O-N 3.07Å; K151-P153 WeakPolarHBondContact O-CD 3.26Å
152T95.3Very high97.2Very high75 Ų7545 Ų4546%0.4625%0.25SS..EExtended strand (participates in β ladder)trans-82.4120.9-174.6-560000110.1K148 A149K148-T152 CarbonylContact C-O 3.5Å; K148-T152 WeakPolarHBondContact CA-O 3.36Å; K148-T152 WeakPolarHBondContact CB-O 3.48Å; A149-T152 PolarHBondContact N-O 2.84Å; A149-T152 PolarHBondContact O-N 3.44Å
153P97.4Very high97.2Very high31 Ų3144.4 Ų44.420%0.20125%0.247CC..EExtended strand (participates in β ladder)trans-57.3143.4172.3-23.534.9000112.3Y16 L20 K151Y16-P153 HydrophobicContact CD1-CB 4.33Å; Y16-P153 HydrophobicContact CD1-CG 3.83Å; Y16-P153 HydrophobicContact CD2-CB 3.84Å; Y16-P153 HydrophobicContact CD2-CG 3.88Å; Y16-P153 HydrophobicContact CE1-CG 4.15Å; Y16-P153 HydrophobicContact CE2-CG 4.18Å; Y16-P153 HydrophobicContact CG-CB 3.71Å; Y16-P153 HydrophobicContact CG-CG 3.69Å; L20-P153 HydrophobicContact CD2-CB 4.47Å; K151-P153 WeakPolarHBondContact O-CD 3.26Å
154L98.4Very high97.2Very high23 Ų2337.4 Ų37.412%0.1222%0.221CC..  trans-107.5153.4171.2-60.6178.3000109.6Q147 A149 M156 R445 K446Q147-L154 HydrophobicContact CB-CB 4.41Å; Q147-L154 HydrophobicContact CB-CD1 4.43Å; Q147-L154 PolarHBondContact O-N 3.4Å; A149-L154 HydrophobicContact CB-CD1 4.4Å; A149-L154 HydrophobicContact CB-CD2 4.06Å; A149-L154 HydrophobicContact CB-CG 4.41Å; L154-M156 PolarHBondContact O-N 3.1Å; L154-R445 CarbonylContact C-O 3.55Å; L154-R445 VanDerWaalsContact CA-O 3.29Å; L154-R445 WeakPolarHBondContact CA-O 3.32Å; L154-R445 HydrophobicContact CB-CB 4.19Å; L154-R445 HydrophobicContact CD2-CB 4.37Å; L154-K446 HydrophobicContact CD2-CG 3.9Å
155D98.8Very high97.3Very high0 Ų036.3 Ų36.30%022%0.215CC..  trans-56.2132172.5-172.3-88.1000111.2Q17 L20 D157 R445 H449Q17-D155 PolarHBondContact NE2-OD2 2.93Å; L20-D155 HydrophobicContact CD1-CB 3.77Å; L20-D155 WeakPolarHBondContact CD1-OD2 3.4Å; D155-D157 WeakPolarHBondContact OD1-CB 3.46Å; D155-D157 PolarHBondContact OD1-N 3.47Å; D155-R445 HydrophobicContact CB-CB 4.17Å; D155-R445 HydrophobicContact CB-CG 4.4Å; D155-R445 WeakPolarHBondContact CB-O 3.45Å; D155-R445 PolarHBondContact N-O 3.07Å; D155-R445 VanDerWaalsContact O-CZ 3.27Å; D155-R445 PolarHBondContact O-NE 2.95Å; D155-R445 PolarHBondContact O-NH2 3.34Å; D155-H449 WeakPolarHBondContact OD2-CA 3.4Å; D155-H449 IonicContact OD2-CD2 3.6Å; D155-H449 PolarHBondContact OD2-N 2.88Å
156M98.6Very high97.4Very high2 Ų232.9 Ų32.91%0.0119%0.187CC..  trans-113.64.1179.1-63.5-62.2-70.100112.2T13 F14 L144 Q147 L154 Q158 F159T13-M156 HydrophobicContact CG2-CE 3.94Å; F14-M156 HydrophobicContact CD1-CB 3.95Å; F14-M156 HydrophobicContact CE1-CB 4.17Å; F14-M156 WeakPolarHBondContact CE1-O 3.47Å; L144-M156 HydrophobicContact CD2-CE 4.06Å; Q147-M156 HydrophobicContact CB-SD 3.72Å; Q147-M156 HydrophobicContact CG-CE 4.09Å; Q147-M156 HydrophobicContact CG-SD 3.73Å; Q147-M156 PolarHBondContact N-SD 3.1Å; Q147-M156 VanDerWaalsContact N-SD 3.41Å; L154-M156 PolarHBondContact O-N 3.1Å; M156-Q158 VanDerWaalsContact C-N 3.29Å; M156-Q158 PolarHBondContact O-N 2.78Å; M156-F159 HydrophobicContact CB-CD2 4.29Å; M156-F159 HydrophobicContact CE-CD1 4.36Å; M156-F159 HydrophobicContact CE-CD2 3.53Å; M156-F159 HydrophobicContact CE-CE1 4.33Å; M156-F159 HydrophobicContact CE-CE2 3.49Å; M156-F159 VanDerWaalsContact CE-CE2 3.49Å; M156-F159 HydrophobicContact CE-CG 4Å; M156-F159 HydrophobicContact CE-CZ 3.93Å; M156-F159 WeakPolarHBondContact O-CB 3.42Å; M156-F159 WeakPolarHBondContact O-CD2 3.4Å; M156-F159 PolarHBondContact O-N 3.06Å; M156-F159 HydrophobicContact SD-CD2 3.97Å; M156-F159 HydrophobicContact SD-CE2 3.72Å
157D98.5Very high97.5Very high22 Ų2232.5 Ų32.512%0.11818%0.184CC..G310 helixtrans-60.7-40.1-172.3-169.368.5000112.2D155 F159 R160 H449D155-D157 WeakPolarHBondContact OD1-CB 3.46Å; D155-D157 PolarHBondContact OD1-N 3.47Å; D157-F159 PolarHBondContact O-N 3.01Å; D157-R160 WeakPolarHBondContact O-CB 3.42Å; D157-R160 WeakPolarHBondContact O-CG 3.26Å; D157-R160 PolarHBondContact O-N 3.36Å; D157-R160 WeakPolarHBondContact OD1-CD 3.4Å; D157-R160 IonicContact OD1-NE 2.73Å; D157-H449 IonicContact OD1-CE1 3.61Å; D157-H449 IonicContact OD1-NE2 2.91Å; D157-H449 PolarHBondContact OD1-NE2 3.16Å; D157-H449 IonicContact OD2-CE1 2.89Å; D157-H449 IonicContact OD2-ND1 3.75Å
158Q98.7Very high97.6Very high10 Ų1030.8 Ų30.85%0.04718%0.177CC..G310 helixtrans-55.9-25177.6-60.2-169.337.800113.8M156 R160 M161 D331 V334M156-Q158 VanDerWaalsContact C-N 3.29Å; M156-Q158 PolarHBondContact O-N 2.78Å; Q158-R160 PolarHBondContact O-N 3.25Å; Q158-M161 WeakPolarHBondContact O-CB 3.3Å; Q158-M161 PolarHBondContact O-N 3.37Å; Q158-D331 PolarHBondContact NE2-OD2 3.39Å; Q158-D331 PolarHBondContact OE1-OD2 3.39Å; Q158-V334 HydrophobicContact CB-CG2 3.59Å
159F98.8Very high97.7Very high1 Ų127.6 Ų27.60%0.00416%0.164CC..G310 helixtrans-66.4-23.2176.2-74.1-96.4000112.8Y135 L139 L144 M156 D157 M161 L162 V334Y135-F159 VanDerWaalsContact OH-CE1 3.3Å; Y135-F159 WeakPolarHBondContact OH-CE1 3.38Å; L139-F159 HydrophobicContact CD1-CB 4.34Å; L139-F159 HydrophobicContact CD2-CB 3.94Å; L139-F159 HydrophobicContact CD2-CD1 4.23Å; L139-F159 HydrophobicContact CD2-CG 4.42Å; L144-F159 HydrophobicContact CD2-CD1 3.77Å; L144-F159 HydrophobicContact CD2-CE1 3.94Å; L144-F159 HydrophobicContact CD2-CG 4.5Å; M156-F159 HydrophobicContact CB-CD2 4.29Å; M156-F159 HydrophobicContact CE-CD1 4.36Å; M156-F159 HydrophobicContact CE-CD2 3.53Å; M156-F159 HydrophobicContact CE-CE1 4.33Å; M156-F159 HydrophobicContact CE-CE2 3.49Å; M156-F159 VanDerWaalsContact CE-CE2 3.49Å; M156-F159 HydrophobicContact CE-CG 4Å; M156-F159 HydrophobicContact CE-CZ 3.93Å; M156-F159 WeakPolarHBondContact O-CB 3.42Å; M156-F159 WeakPolarHBondContact O-CD2 3.4Å; M156-F159 PolarHBondContact O-N 3.06Å; M156-F159 HydrophobicContact SD-CD2 3.97Å; M156-F159 HydrophobicContact SD-CE2 3.72Å; D157-F159 PolarHBondContact O-N 3.01Å; F159-M161 PolarHBondContact O-N 3.43Å; F159-L162 PolarHBondContact O-N 3.24Å; F159-V334 HydrophobicContact CD1-CG1 4.03Å; F159-V334 HydrophobicContact CD2-CG2 4.4Å; F159-V334 HydrophobicContact CE1-CG1 4.27Å; F159-V334 HydrophobicContact CE2-CG2 4.39Å; F159-V334 HydrophobicContact CG-CG1 4.34Å
160R98.7Very high98Very high39 Ų3926.1 Ų26.115%0.14715%0.153CC..G310 helixtrans-65.8-18.7172.7-61.5178.3170.4-81.11.1112.6F14 D157 Q158 N178 F180 E185F14-R160 HydrophobicContact CE1-CG 3.8Å; F14-R160 HydrophobicContact CZ-CG 3.85Å; D157-R160 WeakPolarHBondContact O-CB 3.42Å; D157-R160 WeakPolarHBondContact O-CG 3.26Å; D157-R160 PolarHBondContact O-N 3.36Å; D157-R160 WeakPolarHBondContact OD1-CD 3.4Å; D157-R160 IonicContact OD1-NE 2.73Å; Q158-R160 PolarHBondContact O-N 3.25Å; R160-N178 PolarHBondContact O-ND2 3.26Å; R160-N178 PolarHBondContact O-OD1 2.99Å; R160-F180 HydrophobicContact CB-CD1 4.04Å; R160-F180 HydrophobicContact CG-CD1 4.23Å; R160-F180 HydrophobicContact CG-CE1 4.33Å; R160-F180 WeakPolarHBondContact O-CB 3.39Å; R160-E185 IonicContact CZ-OE1 3.7Å; R160-E185 IonicContact CZ-OE2 2.65Å; R160-E185 IonicContact NH1-OE1 2.8Å; R160-E185 PolarHBondContact NH1-OE1 2.71Å; R160-E185 IonicContact NH1-OE2 3.55Å; R160-E185 PolarHBondContact NH1-OE2 3.1Å; R160-E185 IonicContact NH2-OE1 3.27Å; R160-E185 PolarHBondContact NH2-OE1 3.02Å; R160-E185 IonicContact NH2-OE2 3.73Å
161M98.8Very high98.2Very high34 Ų3425.2 Ų25.217%0.16713%0.132CC..G310 helixtrans-93.9-4.8-174.6-51.8-56.4162.900113.1Q158 F159 T165 N178 S310 P329 Y330Q158-M161 WeakPolarHBondContact O-CB 3.3Å; Q158-M161 PolarHBondContact O-N 3.37Å; F159-M161 PolarHBondContact O-N 3.43Å; M161-T165 WeakPolarHBondContact CA-OG1 3.4Å; M161-T165 HydrophobicContact CB-CG2 4.38Å; M161-T165 VanDerWaalsContact O-CB 3.24Å; M161-T165 WeakPolarHBondContact O-CB 3.47Å; M161-T165 PolarHBondContact O-OG1 2.52Å; M161-N178 HydrophobicContact SD-CB 4.06Å; M161-N178 PolarHBondContact SD-ND2 3.08Å; M161-S310 WeakPolarHBondContact O-CB 3.42Å; M161-S310 PolarHBondContact O-OG 2.73Å; M161-P329 HydrophobicContact CB-CB 3.95Å; M161-P329 HydrophobicContact CG-CB 4.18Å; M161-Y330 HydrophobicContact CB-CD1 3.64Å; M161-Y330 HydrophobicContact CB-CE1 4.5Å; M161-Y330 HydrophobicContact CB-CG 4.38Å; M161-Y330 WeakPolarHBondContact O-CE1 3.25Å
162L98.8Very high98.5Very high0 Ų024.4 Ų24.40%013%0.129CC..SBendtrans-71.3-42.3-177.6178.859.3000112.4Y135 L139 F159 S310 Y311 V334 M338Y135-L162 HydrophobicContact CD1-CD2 4Å; Y135-L162 HydrophobicContact CE1-CD2 3.74Å; L139-L162 HydrophobicContact CD1-CD2 4.34Å; F159-L162 PolarHBondContact O-N 3.24Å; L162-S310 PolarHBondContact O-OG 2.8Å; L162-Y311 HydrophobicContact CD1-CG 4.33Å; L162-V334 HydrophobicContact CB-CG1 3.86Å; L162-V334 HydrophobicContact CD1-CG1 4.25Å; L162-V334 HydrophobicContact CD2-CG1 4.15Å; L162-V334 HydrophobicContact CG-CG1 4.32Å; L162-M338 HydrophobicContact CD1-SD 4.13Å; L162-M338 HydrophobicContact CD2-CB 4Å; L162-M338 HydrophobicContact CD2-CG 4.25Å; L162-M338 HydrophobicContact CD2-SD 3.78Å; L162-M338 HydrophobicContact CG-SD 4.29Å
163Y98.8Very high98.6Very high0 Ų025 Ų250%013%0.125CC..SBendtrans-109.7156.8-178.9-62.3-70.9000110.7T132 Y135 W136 L139 T165 L273 F274 M338T132-Y163 HydrophobicContact CG2-CE1 4Å; T132-Y163 PolarHBondContact O-OH 3.07Å; Y135-Y163 HydrophobicContact CD1-CE2 4.08Å; Y135-Y163 WeakPolarHBondContact CD1-OH 3.45Å; W136-Y163 VanDerWaalsContact CA-CE2 3.46Å; W136-Y163 HydrophobicContact CB-CD1 4.24Å; W136-Y163 HydrophobicContact CB-CD2 3.97Å; W136-Y163 HydrophobicContact CB-CE1 3.94Å; W136-Y163 HydrophobicContact CB-CE2 3.63Å; W136-Y163 HydrophobicContact CB-CG 4.25Å; W136-Y163 AromaticContact CD1-CD2 3.78Å; W136-Y163 AromaticContact CD1-CG 3.76Å; W136-Y163 HydrophobicContact CG-CD2 4.29Å; W136-Y163 HydrophobicContact CG-CE2 4.42Å; W136-Y163 HydrophobicContact CG-CG 4.35Å; W136-Y163 PolarHBondContact N-OH 3.28Å; L139-Y163 HydrophobicContact CD1-CD2 3.97Å; L139-Y163 HydrophobicContact CD1-CE2 3.81Å; Y163-T165 PolarHBondContact O-N 3.11Å; Y163-T165 PolarHBondContact O-OG1 3.08Å; Y163-L273 VanDerWaalsContact CA-O 3.27Å; Y163-L273 WeakPolarHBondContact CA-O 3.47Å; Y163-L273 HydrophobicContact CD1-CB 4.42Å; Y163-F274 HydrophobicContact CD1-CD1 4.01Å; Y163-F274 AromaticContact CE1-CD1 3.88Å; Y163-F274 HydrophobicContact CE1-CD1 3.88Å; Y163-F274 HydrophobicContact CE1-CE1 4.28Å; Y163-M338 PolarHBondContact OH-SD 3.2Å
164C98.8Very high98.7Very high0 Ų023.7 Ų23.70%012%0.116CC..SBendtrans52.232.7170.8-65.90000112.9Y179 F180 C188 S271 S272 L273C164-Y179 VanDerWaalsContact O-CD2 3.27Å; C164-Y179 WeakPolarHBondContact O-CD2 3.47Å; C164-Y179 PolarHBondContact O-N 3.25Å; C164-F180 HydrophobicContact CB-CB 4.13Å; C164-C188 VanDerWaalsContact SG-SG 3.68Å; C164-S271 PolarHBondContact SG-O 2.99Å; C164-S272 VanDerWaalsContact CA-O 3.23Å; C164-S272 WeakPolarHBondContact CA-O 3.38Å; C164-S272 PolarHBondContact N-O 3Å; C164-L273 PolarHBondContact N-O 2.84Å
165T98.9Very high98.7Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-128.5133.9-175.7-61.10000109.5M161 Y163 I176 H177 N178 K309 S310 P329M161-T165 WeakPolarHBondContact CA-OG1 3.4Å; M161-T165 HydrophobicContact CB-CG2 4.38Å; M161-T165 VanDerWaalsContact O-CB 3.24Å; M161-T165 WeakPolarHBondContact O-CB 3.47Å; M161-T165 PolarHBondContact O-OG1 2.52Å; Y163-T165 PolarHBondContact O-N 3.11Å; Y163-T165 PolarHBondContact O-OG1 3.08Å; T165-I176 HydrophobicContact CG2-CG2 3.73Å; T165-H177 VanDerWaalsContact CA-O 3.3Å; T165-H177 WeakPolarHBondContact CA-O 3.35Å; T165-N178 HydrophobicContact CG2-CB 4.36Å; T165-N178 VanDerWaalsContact OG1-CG 3.29Å; T165-N178 PolarHBondContact OG1-OD1 3.13Å; T165-N178 VanDerWaalsContact OG1-OD1 3.06Å; T165-K309 WeakPolarHBondContact O-CD 3.4Å; T165-S310 WeakPolarHBondContact CB-OG 3.4Å; T165-S310 WeakPolarHBondContact O-CB 3.44Å; T165-S310 PolarHBondContact O-N 3.07Å; T165-S310 VanDerWaalsContact O-N 3.1Å; T165-S310 PolarHBondContact O-OG 2.77Å; T165-P329 HydrophobicContact CG2-CB 4.12Å; T165-P329 HydrophobicContact CG2-CG 4.25Å
166C98.9Very high98.7Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-148.6139.5179.8-160.50000109.8H177 Q270 D308 K309C166-H177 PolarHBondContact N-O 3.29Å; C166-H177 PolarHBondContact O-N 2.88Å; C166-Q270 HydrophobicContact CB-CB 3.85Å; C166-Q270 HydrophobicContact CB-CG 3.93Å; C166-D308 WeakPolarHBondContact CA-O 3.33Å; C166-D308 PolarHBondContact SG-O 3.45Å; C166-D308 VanDerWaalsContact SG-O 3.39Å; C166-K309 HydrophobicContact CB-CD 4.29Å
167K98.9Very high98.7Very high3 Ų330.7 Ų30.71%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-70.9150.7163.9-174.1161.759.2-165.70110.3L91 S97 D174 T175 I176 D308 D326 A328L91-K167 HydrophobicContact CD2-CD 4.03Å; L91-K167 HydrophobicContact CD2-CG 4.48Å; S97-K167 PolarHBondContact OG-NZ 2.85Å; S97-K167 VanDerWaalsContact OG-NZ 3.12Å; K167-D174 HydrophobicContact CD-CB 4.02Å; K167-D174 HydrophobicContact CG-CB 3.93Å; K167-T175 CarbonylContact C-O 3.54Å; K167-T175 VanDerWaalsContact CA-O 3.27Å; K167-T175 WeakPolarHBondContact CA-O 3.45Å; K167-I176 HydrophobicContact CB-CD1 3.84Å; K167-I176 HydrophobicContact CD-CD1 4.36Å; K167-I176 HydrophobicContact CG-CD1 4.13Å; K167-D308 HydrophobicContact CB-CB 4.01Å; K167-D308 PolarHBondContact N-O 3.38Å; K167-D308 WeakPolarHBondContact O-CB 3.38Å; K167-D326 VanDerWaalsContact CB-OD2 3.29Å; K167-D326 WeakPolarHBondContact CB-OD2 3.09Å; K167-D326 WeakPolarHBondContact CD-OD2 3.49Å; K167-D326 WeakPolarHBondContact CE-OD2 3.39Å; K167-D326 VanDerWaalsContact NZ-CG 3.3Å; K167-D326 IonicContact NZ-OD1 3.45Å; K167-D326 PolarHBondContact NZ-OD1 3.4Å; K167-D326 IonicContact NZ-OD2 2.71Å; K167-D326 PolarHBondContact NZ-OD2 3.21Å; K167-A328 HydrophobicContact CD-CB 4.4Å
168V98.8Very high98.7Very high10 Ų1032.3 Ų32.36%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-125.9123.6173.1-176.90000107.3D174 T175 H177V168-D174 CarbonylContact O-C 3.51Å; V168-D174 WeakPolarHBondContact O-CA 3.48Å; V168-D174 WeakPolarHBondContact O-CB 3.38Å; V168-T175 PolarHBondContact N-O 3.2Å; V168-T175 PolarHBondContact O-N 2.82Å; V168-H177 HydrophobicContact CG2-CB 4.42Å
169P98.9Very high98.7Very high11 Ų1135.2 Ų35.27%0.07117%0.173CC..  trans-67.5142.7-177.533.6-41.7000110.6W248 A249 R252P169-W248 HydrophobicContact CB-CB 4.28Å; P169-W248 VanDerWaalsContact CB-CD1 3.43Å; P169-W248 HydrophobicContact CB-CG 3.84Å; P169-W248 VanDerWaalsContact CG-CD1 3.45Å; P169-W248 HydrophobicContact CG-CD2 3.93Å; P169-W248 HydrophobicContact CG-CG 3.78Å; P169-W248 HydrophobicContact CG-CZ2 4.34Å; P169-A249 HydrophobicContact CB-CB 4Å; P169-R252 HydrophobicContact CG-CB 4.27Å
170G98.7Very high98.7Very high15 Ų1535.6 Ų35.616%0.15518%0.175CC..  trans-132.4156170.600000111.5R94 K172 K173 D174 A249R94-G170 PolarHBondContact NH1-O 3.43Å; G170-K172 PolarHBondContact O-N 3.2Å; G170-K173 VanDerWaalsContact CA-O 3.29Å; G170-K173 WeakPolarHBondContact CA-O 3.27Å; G170-D174 PolarHBondContact N-OD1 2.92Å; G170-D174 VanDerWaalsContact N-OD1 3.08Å; G170-A249 VanDerWaalsContact C-CB 3.42Å
171V98.6Very high98.7Very high58 Ų5838.1 Ų38.135%0.35219%0.187SC..SBendtrans-59.1-35.7-173.6176.40000112.4T246 A249V171-T246 HydrophobicContact CG1-CG2 3.96Å; V171-T246 WeakPolarHBondContact O-CG2 3.3Å; V171-T246 PolarHBondContact O-OG1 3.44Å; V171-A249 HydrophobicContact CG2-CB 4.24Å
172K98.1Very high98.7Very high179 Ų17936.5 Ų36.578%0.77818%0.179SC*.SBendtrans-118-32.2179.1-64.9-177.2179.5179.10113.3R94 G170R94-K172 PolarHBondContact NH1-O 3.35Å; G170-K172 PolarHBondContact O-N 3.2Å
173K98.6Very high98.7Very high88 Ų8840.7 Ų40.738%0.38320%0.204SC..  trans-146.7130.9-177.4-165.6174.279.7162.30108.9D87 L91 E92 G170D87-K173 HydrophobicContact CB-CD 4.4Å; D87-K173 VanDerWaalsContact CG-NZ 3.34Å; D87-K173 IonicContact OD1-NZ 3.48Å; D87-K173 PolarHBondContact OD1-NZ 2.89Å; D87-K173 IonicContact OD2-NZ 3.56Å; D87-K173 PolarHBondContact OD2-NZ 2.87Å; L91-K173 HydrophobicContact CB-CG 3.99Å; L91-K173 CarbonylContact O-C 3.58Å; L91-K173 VanDerWaalsContact O-CA 3.27Å; L91-K173 WeakPolarHBondContact O-CA 3.29Å; L91-K173 WeakPolarHBondContact O-CG 3.4Å; E92-K173 HydrophobicContact CG-CD 3.92Å; E92-K173 HydrophobicContact CG-CG 3.93Å; G170-K173 VanDerWaalsContact CA-O 3.29Å; G170-K173 WeakPolarHBondContact CA-O 3.27Å
174D98.9Very high98.6Very high2 Ų244.4 Ų44.41%0.01123%0.23CC..  trans-76.8171.3173.8-67.213.5000109.4L91 R94 K167 V168 G170 R245L91-D174 HydrophobicContact CB-CB 4.34Å; L91-D174 HydrophobicContact CD2-CB 4.02Å; L91-D174 PolarHBondContact O-N 2.84Å; R94-D174 IonicContact CZ-OD1 3.9Å; R94-D174 IonicContact NH1-OD1 2.69Å; R94-D174 PolarHBondContact NH1-OD1 2.92Å; R94-D174 IonicContact NH2-OD1 3.93Å; R94-D174 PolarHBondContact NH2-OD1 3.39Å; K167-D174 HydrophobicContact CD-CB 4.02Å; K167-D174 HydrophobicContact CG-CB 3.93Å; V168-D174 CarbonylContact O-C 3.51Å; V168-D174 WeakPolarHBondContact O-CA 3.48Å; V168-D174 WeakPolarHBondContact O-CB 3.38Å; G170-D174 PolarHBondContact N-OD1 2.92Å; G170-D174 VanDerWaalsContact N-OD1 3.08Å; D174-R245 IonicContact OD2-CZ 2.93Å; D174-R245 IonicContact OD2-NE 3.12Å; D174-R245 PolarHBondContact OD2-NE 3.46Å; D174-R245 IonicContact OD2-NH2 3.29Å; D174-R245 PolarHBondContact OD2-NH2 3.36Å
175T98.8Very high98.6Very high60 Ų6048.5 Ų48.537%0.36825%0.249SC..EExtended strand (participates in β ladder)trans-135.4153175.653.70000110.5K167 V168K167-T175 CarbonylContact C-O 3.54Å; K167-T175 VanDerWaalsContact CA-O 3.27Å; K167-T175 WeakPolarHBondContact CA-O 3.45Å; V168-T175 PolarHBondContact N-O 3.2Å; V168-T175 PolarHBondContact O-N 2.82Å
176I98.8Very high98.6Very high42 Ų4249.6 Ų49.622%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-100.1125.2170.9-61.3-56.3000108.6L86 L91 T165 K167 A328 P329L86-I176 HydrophobicContact CD1-CG1 4.37Å; L91-I176 HydrophobicContact CD1-CG1 4.4Å; L91-I176 HydrophobicContact CD2-CD1 3.98Å; L91-I176 HydrophobicContact CD2-CG1 4.05Å; T165-I176 HydrophobicContact CG2-CG2 3.73Å; K167-I176 HydrophobicContact CB-CD1 3.84Å; K167-I176 HydrophobicContact CD-CD1 4.36Å; K167-I176 HydrophobicContact CG-CD1 4.13Å; I176-A328 HydrophobicContact CD1-CB 3.95Å; I176-P329 HydrophobicContact CD1-CB 4.22Å; I176-P329 HydrophobicContact CD1-CG 4.44Å; I176-P329 HydrophobicContact CG1-CB 4.29Å; I176-P329 HydrophobicContact CG2-CB 4.02Å
177H98.7Very high98.4Very high70 Ų7055 Ų5532%0.32430%0.295SS..EExtended strand (participates in β ladder)trans-104.5115.8169.4-73.6-149.8000108.4T165 C166 V168 Y179T165-H177 VanDerWaalsContact CA-O 3.3Å; T165-H177 WeakPolarHBondContact CA-O 3.35Å; C166-H177 PolarHBondContact N-O 3.29Å; C166-H177 PolarHBondContact O-N 2.88Å; V168-H177 HydrophobicContact CG2-CB 4.42Å; H177-Y179 HydrophobicContact CB-CE2 3.66Å; H177-Y179 AromaticContact ND1-CZ 3.88Å; H177-Y179 PolarHBondContact ND1-OH 3.27Å
178N98.6Very high98.4Very high57 Ų5755.7 Ų55.731%0.30530%0.301SS..EExtended strand (participates in β ladder)trans-112.5119.7173.1-177.74.7000109.7R160 M161 T165 F180R160-N178 PolarHBondContact O-ND2 3.26Å; R160-N178 PolarHBondContact O-OD1 2.99Å; M161-N178 HydrophobicContact SD-CB 4.06Å; M161-N178 PolarHBondContact SD-ND2 3.08Å; T165-N178 HydrophobicContact CG2-CB 4.36Å; T165-N178 VanDerWaalsContact OG1-CG 3.29Å; T165-N178 PolarHBondContact OG1-OD1 3.13Å; T165-N178 VanDerWaalsContact OG1-OD1 3.06Å; N178-F180 VanDerWaalsContact OD1-CB 3.24Å; N178-F180 WeakPolarHBondContact OD1-CB 3.49Å; N178-F180 PolarHBondContact OD1-N 3.42Å
179Y98.7Very high98.4Very high70 Ų7056.8 Ų56.828%0.27531%0.308SS..  trans-106.6-2.3178.4-48.6-90.2000112.6C164 H177 Q270C164-Y179 VanDerWaalsContact O-CD2 3.27Å; C164-Y179 WeakPolarHBondContact O-CD2 3.47Å; C164-Y179 PolarHBondContact O-N 3.25Å; H177-Y179 HydrophobicContact CB-CE2 3.66Å; H177-Y179 AromaticContact ND1-CZ 3.88Å; H177-Y179 PolarHBondContact ND1-OH 3.27Å; Y179-Q270 HydrophobicContact CE2-CB 4.09Å
180F98.8Very high98.3Very high10 Ų1057.2 Ų57.24%0.04431%0.312CS..  trans-64.8136.8176.6177-94.1000110.6L139 R140 R160 C164 N178 T182L139-F180 HydrophobicContact CB-CE2 4.24Å; L139-F180 HydrophobicContact CB-CZ 3.88Å; R140-F180 HydrophobicContact CG-CE2 3.71Å; R140-F180 HydrophobicContact CG-CZ 4.18Å; R160-F180 HydrophobicContact CB-CD1 4.04Å; R160-F180 HydrophobicContact CG-CD1 4.23Å; R160-F180 HydrophobicContact CG-CE1 4.33Å; R160-F180 WeakPolarHBondContact O-CB 3.39Å; C164-F180 HydrophobicContact CB-CB 4.13Å; N178-F180 VanDerWaalsContact OD1-CB 3.24Å; N178-F180 WeakPolarHBondContact OD1-CB 3.49Å; N178-F180 PolarHBondContact OD1-N 3.42Å; F180-T182 HydrophobicContact CE1-CG2 4.27Å
181K98.6Very high98.3Very high92 Ų9258 Ų5840%0.431%0.311SS..  trans-133.3157.9169.4-66.4-168.6-177176.70108.8R140 E185 P187 C188R140-K181 PolarHBondContact NH1-O 3.01Å; K181-E185 WeakPolarHBondContact CA-OE2 3.45Å; K181-E185 HydrophobicContact CB-CB 3.92Å; K181-E185 HydrophobicContact CD-CB 4.42Å; K181-E185 HydrophobicContact CG-CB 4.37Å; K181-P187 WeakPolarHBondContact CD-O 3.34Å; K181-C188 HydrophobicContact CB-CB 4.48Å
182T98.7Very high98.4Very high0 Ų055.2 Ų55.20%029%0.294CS..  trans-78.2170.6161.165.60000110.2F14 R140 E142 F180 S184 E185 G186F14-T182 HydrophobicContact CD2-CG2 3.85Å; F14-T182 HydrophobicContact CE2-CG2 3.56Å; R140-T182 PolarHBondContact NH1-O 3.41Å; R140-T182 CarbonylContact O-C 3.5Å; R140-T182 WeakPolarHBondContact O-CA 3.39Å; R140-T182 WeakPolarHBondContact O-CB 3.45Å; E142-T182 HydrophobicContact CG-CG2 3.68Å; E142-T182 PolarHBondContact OE1-OG1 3.2Å; F180-T182 HydrophobicContact CE1-CG2 4.27Å; T182-S184 PolarHBondContact O-N 2.93Å; T182-S184 PolarHBondContact OG1-N 3.07Å; T182-S184 PolarHBondContact OG1-OG 2.73Å; T182-E185 PolarHBondContact N-OE2 3.34Å; T182-E185 PolarHBondContact O-N 2.85Å; T182-E185 VanDerWaalsContact OG1-CD 3.31Å; T182-E185 VanDerWaalsContact OG1-CG 3.26Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å; T182-G186 PolarHBondContact O-N 2.8Å; T182-G186 VanDerWaalsContact O-N 3.11Å; T182-G186 VanDerWaalsContact O-O 3.07Å
183V98.1Very high98.4Very high88 Ų8846.7 Ų46.753%0.53326%0.257SS..THydrogen-bonded Turntrans-59.6-36.1170.2173.20000110.6R140 T141 E185 G186R140-V183 HydrophobicContact CB-CG2 4.31Å; R140-V183 PolarHBondContact O-N 2.64Å; T141-V183 HydrophobicContact CG2-CG2 4.11Å; V183-E185 VanDerWaalsContact C-N 3.28Å; V183-E185 PolarHBondContact O-N 3.08Å; V183-G186 PolarHBondContact O-N 3.08Å
184S97.6Very high98.4Very high78 Ų7842.5 Ų42.555%0.54524%0.239SC..THydrogen-bonded Turntrans-71.6-21.5179.264.30000113.5R12 E142 T182R12-S184 PolarHBondContact NH2-OG 2.79Å; E142-S184 PolarHBondContact OE1-OG 2.87Å; T182-S184 PolarHBondContact O-N 2.93Å; T182-S184 PolarHBondContact OG1-N 3.07Å; T182-S184 PolarHBondContact OG1-OG 2.73Å
185E98.4Very high98.4Very high85 Ų8542.4 Ų42.440%0.39724%0.238SC..THydrogen-bonded Turntrans-94.9-16.9178.2-70.4164.117100113.7R160 K181 T182 V183R160-E185 IonicContact CZ-OE1 3.7Å; R160-E185 IonicContact CZ-OE2 2.65Å; R160-E185 IonicContact NH1-OE1 2.8Å; R160-E185 PolarHBondContact NH1-OE1 2.71Å; R160-E185 IonicContact NH1-OE2 3.55Å; R160-E185 PolarHBondContact NH1-OE2 3.1Å; R160-E185 IonicContact NH2-OE1 3.27Å; R160-E185 PolarHBondContact NH2-OE1 3.02Å; R160-E185 IonicContact NH2-OE2 3.73Å; K181-E185 WeakPolarHBondContact CA-OE2 3.45Å; K181-E185 HydrophobicContact CB-CB 3.92Å; K181-E185 HydrophobicContact CD-CB 4.42Å; K181-E185 HydrophobicContact CG-CB 4.37Å; T182-E185 PolarHBondContact N-OE2 3.34Å; T182-E185 PolarHBondContact O-N 2.85Å; T182-E185 VanDerWaalsContact OG1-CD 3.31Å; T182-E185 VanDerWaalsContact OG1-CG 3.26Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å; V183-E185 VanDerWaalsContact C-N 3.28Å; V183-E185 PolarHBondContact O-N 3.08Å
186G97.9Very high98.4Very high24 Ų2439.5 Ų39.525%0.24722%0.221CC..  trans124.7-154.6171.200000115.3R140 T182 V183R140-G186 PolarHBondContact NH2-O 2.94Å; T182-G186 PolarHBondContact O-N 2.8Å; T182-G186 VanDerWaalsContact O-N 3.11Å; T182-G186 VanDerWaalsContact O-O 3.07Å; V183-G186 PolarHBondContact O-N 3.08Å
187P96.4Very high98.4Very high112 Ų11240.1 Ų40.173%0.72722%0.22SC*.  trans-68.9146.5-176.728.6-34.1000111.3K181K181-P187 WeakPolarHBondContact CD-O 3.34Å
188C97.8Very high98.4Very high19 Ų1937.1 Ų37.113%0.12821%0.208CC..  trans-133.6145175.8173.40000107.9R140 C164 K181R140-C188 VanDerWaalsContact CZ-CB 3.48Å; C164-C188 VanDerWaalsContact SG-SG 3.68Å; K181-C188 HydrophobicContact CB-CB 4.48Å
189P98.4Very high98.4Very high32 Ų3235.2 Ų35.221%0.20820%0.197CC..  trans-53.4146170.2-22.832.3000111.7S271 L273P189-S271 VanDerWaalsContact CB-O 3.22Å; P189-S271 WeakPolarHBondContact CB-O 3.31Å; P189-S271 WeakPolarHBondContact CG-O 3.34Å; P189-L273 WeakPolarHBondContact O-CD2 3.32Å
190S98.3Very high98.4Very high21 Ų2132.2 Ų32.215%0.14719%0.185CC..  trans-123.9-3.6-178.9420000113.1D204 A205 L273S190-D204 VanDerWaalsContact CB-OD1 3.26Å; S190-D204 WeakPolarHBondContact CB-OD1 3.33Å; S190-D204 VanDerWaalsContact OG-CG 3.27Å; S190-D204 PolarHBondContact OG-OD1 2.98Å; S190-D204 PolarHBondContact OG-OD2 2.72Å; S190-A205 WeakPolarHBondContact O-CB 3.38Å; S190-A205 PolarHBondContact O-N 3.28Å; S190-L273 VanDerWaalsContact O-CD1 3.27Å; S190-L273 WeakPolarHBondContact O-CD1 3.26Å
191H98.8Very high98.4Very high30 Ų3031.8 Ų31.814%0.13918%0.184CC..EExtended strand (participates in β ladder)trans-81.1151.3-177.664.9-70.1000113.4T202 F203 T268 S271 S272 L273H191-T202 PolarHBondContact CD2-OG1 3.41Å; H191-F203 CarbonylContact C-O 3.53Å; H191-F203 VanDerWaalsContact CA-O 3.3Å; H191-F203 WeakPolarHBondContact CA-O 3.32Å; H191-F203 WeakPolarHBondContact CB-O 3.45Å; H191-T268 PolarHBondContact NE2-O 3.37Å; H191-S271 PolarHBondContact CE1-OG 3.36Å; H191-S271 PolarHBondContact NE2-OG 3.43Å; H191-S272 WeakPolarHBondContact NE2-CA 3.5Å; H191-S272 PolarHBondContact NE2-N 3.38Å; H191-S272 CarbonylContact O-C 3.44Å; H191-S272 WeakPolarHBondContact O-CA 3.24Å; H191-S272 WeakPolarHBondContact O-CB 3.42Å; H191-L273 PolarHBondContact O-N 3.48Å
192L98.9Very high98.4Very high0 Ų028.1 Ų28.10%017%0.169CC..EExtended strand (participates in β ladder)trans-102.7159172.7-69.4165.9000110.1T129 L133 T202 F203 A205 L217 L273 F274 I276T129-L192 HydrophobicContact CG2-CD1 3.84Å; L133-L192 HydrophobicContact CD1-CD1 4.37Å; L133-L192 HydrophobicContact CD2-CD2 4.44Å; L192-T202 VanDerWaalsContact O-CA 3.29Å; L192-T202 WeakPolarHBondContact O-CA 3.42Å; L192-T202 WeakPolarHBondContact O-CB 3.46Å; L192-T202 PolarHBondContact O-OG1 3.41Å; L192-F203 HydrophobicContact CB-CE2 4.36Å; L192-F203 HydrophobicContact CB-CZ 4.24Å; L192-F203 HydrophobicContact CD1-CE2 3.75Å; L192-F203 HydrophobicContact CD1-CZ 3.9Å; L192-F203 PolarHBondContact N-O 3.05Å; L192-F203 PolarHBondContact O-N 3.02Å; L192-A205 HydrophobicContact CD1-CB 3.94Å; L192-A205 HydrophobicContact CG-CB 4.07Å; L192-L217 HydrophobicContact CD1-CD2 4.41Å; L192-L273 HydrophobicContact CD2-CB 4.04Å; L192-L273 HydrophobicContact CD2-CD1 4.35Å; L192-F274 HydrophobicContact CD2-CD1 3.76Å; L192-F274 HydrophobicContact CD2-CD2 4.21Å; L192-F274 HydrophobicContact CD2-CE1 3.38Å; L192-F274 HydrophobicContact CD2-CE2 3.89Å; L192-F274 HydrophobicContact CD2-CG 4.15Å; L192-F274 HydrophobicContact CD2-CZ 3.45Å; L192-F274 VanDerWaalsContact CD2-CZ 3.45Å; L192-I276 HydrophobicContact CD1-CD1 4.29Å; L192-I276 HydrophobicContact CD2-CD1 4.46Å
193V98.9Very high98.4Very high0 Ų028.9 Ų28.90%017%0.172CC..EExtended strand (participates in β ladder)trans-120.4131.6167166.10000109.1M195 I200 F201 I269 F274 V275 I276V193-M195 HydrophobicContact CG1-CE 3.8Å; V193-M195 HydrophobicContact CG1-CG 4.25Å; V193-I200 HydrophobicContact CG1-CG2 3.56Å; V193-F201 CarbonylContact C-O 3.57Å; V193-F201 VanDerWaalsContact CA-O 3.26Å; V193-F201 WeakPolarHBondContact CA-O 3.45Å; V193-I269 HydrophobicContact CG2-CG1 4.38Å; V193-F274 PolarHBondContact N-O 2.87Å; V193-V275 HydrophobicContact CB-CG2 4.22Å; V193-V275 HydrophobicContact CG1-CG2 4.17Å; V193-V275 CarbonylContact O-C 3.5Å; V193-V275 WeakPolarHBondContact O-CA 3.46Å; V193-I276 PolarHBondContact O-N 3.29Å
194V98.9Very high98.4Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-115.3129.7175-173.10000109.2F201 F203 L221 V224 I276 L278V194-F201 PolarHBondContact N-O 3.05Å; V194-F201 PolarHBondContact O-N 3.16Å; V194-F203 HydrophobicContact CG2-CD1 4.46Å; V194-F203 HydrophobicContact CG2-CE1 3.57Å; V194-F203 HydrophobicContact CG2-CZ 4.31Å; V194-L221 HydrophobicContact CG1-CD2 4.36Å; V194-L221 HydrophobicContact CG2-CD2 4.22Å; V194-V224 HydrophobicContact CB-CG1 4.43Å; V194-V224 HydrophobicContact CB-CG2 4.48Å; V194-V224 HydrophobicContact CG1-CG1 3.88Å; V194-I276 CarbonylContact C-O 3.47Å; V194-I276 VanDerWaalsContact CA-O 3.31Å; V194-I276 WeakPolarHBondContact CA-O 3.18Å; V194-I276 HydrophobicContact CG1-CG2 4.5Å; V194-I276 HydrophobicContact CG2-CB 4.24Å; V194-I276 HydrophobicContact CG2-CD1 4.35Å; V194-L278 HydrophobicContact CG1-CD1 3.83Å; V194-L278 HydrophobicContact CG1-CG 3.84Å
195M98.9Very high98.5Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-113.1128.3175.7-60.3-173.1-17800110.2V193 R199 I200 I269 V275 I276 L278 I304 W306V193-M195 HydrophobicContact CG1-CE 3.8Å; V193-M195 HydrophobicContact CG1-CG 4.25Å; M195-R199 VanDerWaalsContact CA-O 3.3Å; M195-R199 WeakPolarHBondContact CA-O 3.46Å; M195-I200 HydrophobicContact CE-CD1 4.06Å; M195-I200 HydrophobicContact CE-CG1 4.37Å; M195-I200 HydrophobicContact CE-CG2 4.14Å; M195-I200 HydrophobicContact CG-CG1 4.24Å; M195-I200 HydrophobicContact CG-CG2 4.34Å; M195-I269 HydrophobicContact CE-CG2 4.29Å; M195-V275 HydrophobicContact CE-CG1 3.97Å; M195-V275 HydrophobicContact CE-CG2 4.17Å; M195-V275 HydrophobicContact CG-CG1 4.05Å; M195-V275 HydrophobicContact SD-CG1 3.95Å; M195-I276 PolarHBondContact N-O 3.29Å; M195-L278 PolarHBondContact O-N 2.71Å; M195-I304 HydrophobicContact CB-CB 4.02Å; M195-I304 HydrophobicContact CB-CG2 4.35Å; M195-W306 HydrophobicContact CE-CB 3.81Å; M195-W306 HydrophobicContact CE-CD2 4.17Å; M195-W306 HydrophobicContact CE-CE3 3.67Å; M195-W306 HydrophobicContact CE-CG 4.27Å; M195-W306 HydrophobicContact SD-CB 4.4Å
196C98.8Very high98.5Very high0 Ų022.4 Ų22.40%013%0.131CC..EExtended strand (participates in β ladder)trans-148.6132.3-179.7-171.70000109.1G198 R199 V224 C228 L278C196-G198 VanDerWaalsContact C-N 3.26Å; C196-G198 PolarHBondContact O-N 3.43Å; C196-G198 VanDerWaalsContact O-N 3.1Å; C196-R199 PolarHBondContact N-O 2.83Å; C196-R199 WeakPolarHBondContact O-CA 3.15Å; C196-R199 WeakPolarHBondContact O-CB 3.45Å; C196-R199 PolarHBondContact O-N 3.02Å; C196-V224 HydrophobicContact CB-CG1 4.01Å; C196-C228 HydrophobicContact CB-CB 4.33Å; C196-L278 HydrophobicContact CB-CB 4.1Å; C196-L278 HydrophobicContact CB-CD1 4.33Å
197R98.3Very high98.4Very high54 Ų5423.8 Ų23.820%0.20413%0.13CC..THydrogen-bonded Turntrans46.144.4176-60.8-17960.363.18.9114.3R199 C228 E233 G234 E280R197-R199 VanDerWaalsContact C-N 3.29Å; R197-R199 PolarHBondContact O-N 3.32Å; R197-C228 HydrophobicContact CB-CB 4.22Å; R197-C228 WeakPolarHBondContact CD-O 3.47Å; R197-C228 HydrophobicContact CG-CB 4.32Å; R197-C228 PolarHBondContact NE-O 3.2Å; R197-E233 HydrophobicContact CB-CG 4.43Å; R197-E233 IonicContact CZ-OE1 2.69Å; R197-E233 IonicContact NH1-OE1 3.96Å; R197-E233 PolarHBondContact NH1-OE1 2.67Å; R197-E233 IonicContact NH2-OE1 3.75Å; R197-E233 PolarHBondContact NH2-OE1 2.95Å; R197-E233 WeakPolarHBondContact O-CA 3.45Å; R197-G234 PolarHBondContact O-N 3.37Å; R197-E280 WeakPolarHBondContact CD-OE1 3.34Å; R197-E280 IonicContact CZ-OE2 2.84Å; R197-E280 IonicContact NH1-OE1 3.55Å; R197-E280 IonicContact NH1-OE2 3.07Å; R197-E280 PolarHBondContact NH1-OE2 3.47Å
198G98.4Very high98.4Very high7 Ų724.9 Ų24.97%0.07213%0.13CC..THydrogen-bonded Turntrans78.34.2179.100000115.8C196 G236 T303C196-G198 VanDerWaalsContact C-N 3.26Å; C196-G198 PolarHBondContact O-N 3.43Å; C196-G198 VanDerWaalsContact O-N 3.1Å; G198-G236 WeakPolarHBondContact O-CA 3.5Å; G198-G236 PolarHBondContact O-N 2.64Å; G198-T303 WeakPolarHBondContact CA-O 3.49Å
199R98.8Very high98.2Very high18 Ų1827.2 Ų27.27%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-112.3157.1-177-56.9172.169.9161.75.9110.7M195 C196 R197 F201 R227 E231 E367M195-R199 VanDerWaalsContact CA-O 3.3Å; M195-R199 WeakPolarHBondContact CA-O 3.46Å; C196-R199 PolarHBondContact N-O 2.83Å; C196-R199 WeakPolarHBondContact O-CA 3.15Å; C196-R199 WeakPolarHBondContact O-CB 3.45Å; C196-R199 PolarHBondContact O-N 3.02Å; R197-R199 VanDerWaalsContact C-N 3.29Å; R197-R199 PolarHBondContact O-N 3.32Å; R199-F201 HydrophobicContact CB-CE2 3.76Å; R199-F201 HydrophobicContact CB-CZ 4.43Å; R199-R227 PolarHBondContact NH1-O 3.12Å; R199-E231 IonicContact CZ-OE2 2.76Å; R199-E231 IonicContact NH1-OE2 3.83Å; R199-E231 PolarHBondContact NH1-OE2 3.39Å; R199-E231 IonicContact NH2-OE2 3.51Å; R199-E231 PolarHBondContact NH2-OE2 2.9Å; R199-E367 IonicContact CZ-OE1 3.87Å; R199-E367 IonicContact CZ-OE2 3.68Å; R199-E367 IonicContact NE-OE1 3.73Å; R199-E367 PolarHBondContact NE-OE1 2.96Å; R199-E367 IonicContact NE-OE2 2.68Å; R199-E367 IonicContact NH2-OE1 3.72Å; R199-E367 PolarHBondContact NH2-OE1 3.43Å; R199-E367 IonicContact NH2-OE2 2.7Å; R199-E367 PolarHBondContact NH2-OE2 3.34Å
200I98.9Very high98.1Very high6 Ų631.7 Ų31.73%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-131.2129.5-171.7-49.6-177.3000109.1V193 M195 I269 W306 L368 F370V193-I200 HydrophobicContact CG1-CG2 3.56Å; M195-I200 HydrophobicContact CE-CD1 4.06Å; M195-I200 HydrophobicContact CE-CG1 4.37Å; M195-I200 HydrophobicContact CE-CG2 4.14Å; M195-I200 HydrophobicContact CG-CG1 4.24Å; M195-I200 HydrophobicContact CG-CG2 4.34Å; I200-I269 HydrophobicContact CD1-CD1 3.88Å; I200-I269 HydrophobicContact CG2-CD1 4.16Å; I200-I269 HydrophobicContact CG2-CG1 4.27Å; I200-W306 HydrophobicContact CD1-CZ3 4.19Å; I200-L368 HydrophobicContact CB-CB 4.36Å; I200-L368 HydrophobicContact CG2-CB 4.41Å; I200-L368 HydrophobicContact CG2-CD1 3.97Å; I200-L368 PolarHBondContact O-N 3.02Å; I200-F370 HydrophobicContact CD1-CE2 4.09Å
201F98.9Very high98.1Very high2 Ų231.9 Ų31.91%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-126.3155.9-179.7-62.8-99.4000110.8V193 V194 R199 V224 R227 C228 P365 E366 E367V193-F201 CarbonylContact C-O 3.57Å; V193-F201 VanDerWaalsContact CA-O 3.26Å; V193-F201 WeakPolarHBondContact CA-O 3.45Å; V194-F201 PolarHBondContact N-O 3.05Å; V194-F201 PolarHBondContact O-N 3.16Å; R199-F201 HydrophobicContact CB-CE2 3.76Å; R199-F201 HydrophobicContact CB-CZ 4.43Å; F201-V224 HydrophobicContact CB-CG2 3.87Å; F201-V224 HydrophobicContact CD1-CG2 4.16Å; F201-V224 HydrophobicContact CD2-CB 4.45Å; F201-V224 HydrophobicContact CD2-CG1 3.58Å; F201-V224 HydrophobicContact CD2-CG2 4.19Å; F201-V224 HydrophobicContact CE2-CG1 3.89Å; F201-V224 HydrophobicContact CG-CG1 4.09Å; F201-V224 HydrophobicContact CG-CG2 3.81Å; F201-R227 HydrophobicContact CE1-CG 4.11Å; F201-R227 HydrophobicContact CZ-CB 4.36Å; F201-R227 HydrophobicContact CZ-CG 4.04Å; F201-C228 WeakPolarHBondContact CE2-SG 3.25Å; F201-P365 HydrophobicContact CB-CB 4.24Å; F201-P365 HydrophobicContact CD1-CB 4.33Å; F201-E366 CarbonylContact C-O 3.38Å; F201-E366 WeakPolarHBondContact CA-O 3.4Å; F201-E367 HydrophobicContact CD1-CB 3.81Å; F201-E367 HydrophobicContact CD1-CG 4.21Å; F201-E367 HydrophobicContact CE1-CB 3.59Å; F201-E367 HydrophobicContact CE1-CG 3.82Å; F201-E367 HydrophobicContact CE2-CG 4.49Å; F201-E367 HydrophobicContact CZ-CB 4.26Å; F201-E367 HydrophobicContact CZ-CG 3.97Å
202T98.9Very high98.1Very high14 Ų1430.6 Ų30.69%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-135.7149.3172.7-165.70000112.4H191 L192 T268 P365 E366 L368H191-T202 PolarHBondContact CD2-OG1 3.41Å; L192-T202 VanDerWaalsContact O-CA 3.29Å; L192-T202 WeakPolarHBondContact O-CA 3.42Å; L192-T202 WeakPolarHBondContact O-CB 3.46Å; L192-T202 PolarHBondContact O-OG1 3.41Å; T202-T268 HydrophobicContact CG2-CG2 4.14Å; T202-P365 WeakPolarHBondContact O-CA 3.34Å; T202-E366 HydrophobicContact CG2-CB 4.25Å; T202-E366 PolarHBondContact N-O 2.84Å; T202-E366 PolarHBondContact O-N 2.95Å; T202-L368 HydrophobicContact CG2-CD1 4.38Å; T202-L368 HydrophobicContact CG2-CD2 3.79Å; T202-L368 HydrophobicContact CG2-CG 4.22Å
203F98.9Very high98.1Very high17 Ų1731.2 Ų31.28%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-156.3156.7169.659.8-90.5000109.6H191 L192 V194 L212 L217 Q220 P365H191-F203 CarbonylContact C-O 3.53Å; H191-F203 VanDerWaalsContact CA-O 3.3Å; H191-F203 WeakPolarHBondContact CA-O 3.32Å; H191-F203 WeakPolarHBondContact CB-O 3.45Å; L192-F203 HydrophobicContact CB-CE2 4.36Å; L192-F203 HydrophobicContact CB-CZ 4.24Å; L192-F203 HydrophobicContact CD1-CE2 3.75Å; L192-F203 HydrophobicContact CD1-CZ 3.9Å; L192-F203 PolarHBondContact N-O 3.05Å; L192-F203 PolarHBondContact O-N 3.02Å; V194-F203 HydrophobicContact CG2-CD1 4.46Å; V194-F203 HydrophobicContact CG2-CE1 3.57Å; V194-F203 HydrophobicContact CG2-CZ 4.31Å; F203-L212 HydrophobicContact CD2-CD1 4.11Å; F203-L212 HydrophobicContact CE2-CD1 4.16Å; F203-L217 HydrophobicContact CE2-CD2 3.98Å; F203-L217 HydrophobicContact CZ-CD2 4.42Å; F203-Q220 HydrophobicContact CD1-CB 4.18Å; F203-Q220 HydrophobicContact CD2-CB 4.32Å; F203-Q220 HydrophobicContact CD2-CG 3.94Å; F203-Q220 HydrophobicContact CE1-CB 3.87Å; F203-Q220 HydrophobicContact CE2-CB 4.05Å; F203-Q220 HydrophobicContact CE2-CG 3.95Å; F203-Q220 HydrophobicContact CG-CB 4.4Å; F203-Q220 HydrophobicContact CG-CG 4.26Å; F203-Q220 HydrophobicContact CZ-CB 3.82Å; F203-Q220 HydrophobicContact CZ-CG 4.25Å; F203-P365 HydrophobicContact CD1-CB 4.16Å; F203-P365 HydrophobicContact CD1-CG 4.1Å
204D98.6Very high98.1Very high71 Ų7131.3 Ų31.338%0.3817%0.174SC..EExtended strand (participates in β ladder)trans-74.3134.7177.1-154-64.6000111.5S190 L206 L212S190-D204 VanDerWaalsContact CB-OD1 3.26Å; S190-D204 WeakPolarHBondContact CB-OD1 3.33Å; S190-D204 VanDerWaalsContact OG-CG 3.27Å; S190-D204 PolarHBondContact OG-OD1 2.98Å; S190-D204 PolarHBondContact OG-OD2 2.72Å; D204-L206 PolarHBondContact O-N 3.31Å; D204-L206 WeakPolarHBondContact OD1-CA 3.5Å; D204-L206 WeakPolarHBondContact OD1-CB 3.4Å; D204-L206 PolarHBondContact OD1-N 3.4Å; D204-L212 VanDerWaalsContact O-CD1 3.26Å; D204-L212 WeakPolarHBondContact O-CD1 3.29Å
205A98.2Very high98Very high0 Ų032.3 Ų32.30%018%0.18CC..SBendtrans-78.8-7175.400000113.2L133 S190 L192 I211 L212 L273L133-A205 HydrophobicContact CD1-CB 3.84Å; L133-A205 HydrophobicContact CD2-CB 3.58Å; L133-A205 HydrophobicContact CG-CB 4.36Å; S190-A205 WeakPolarHBondContact O-CB 3.38Å; S190-A205 PolarHBondContact O-N 3.28Å; L192-A205 HydrophobicContact CD1-CB 3.94Å; L192-A205 HydrophobicContact CG-CB 4.07Å; A205-I211 WeakPolarHBondContact O-CA 3.34Å; A205-L212 WeakPolarHBondContact O-CG 3.5Å; A205-L212 PolarHBondContact O-N 3.41Å; A205-L273 HydrophobicContact CB-CD1 3.86Å
206L98Very high98Very high44 Ų4432.4 Ų32.423%0.2318%0.181CC..EExtended strand (participates in β ladder)trans-113.1146174.7-57.6-177.3000110.9W136 D204 Q210 I211W136-L206 HydrophobicContact CH2-CD1 3.99Å; W136-L206 HydrophobicContact CH2-CD2 4.22Å; W136-L206 HydrophobicContact CH2-CG 4.18Å; W136-L206 HydrophobicContact CZ3-CD2 3.93Å; W136-L206 HydrophobicContact CZ3-CG 4.35Å; D204-L206 PolarHBondContact O-N 3.31Å; D204-L206 WeakPolarHBondContact OD1-CA 3.5Å; D204-L206 WeakPolarHBondContact OD1-CB 3.4Å; D204-L206 PolarHBondContact OD1-N 3.4Å; L206-Q210 CarbonylContact C-O 3.52Å; L206-Q210 VanDerWaalsContact CA-O 3.3Å; L206-Q210 WeakPolarHBondContact CA-O 3.45Å; L206-I211 HydrophobicContact CD2-CB 4.32Å; L206-I211 HydrophobicContact CD2-CG1 3.73Å
207F97.3Very high98.1Very high52 Ų5232.5 Ų32.523%0.22818%0.181CC..EExtended strand (participates in β ladder)trans-137.7127164.5-174.1-98.2000108.6G209 Q210 L212 R360 Q361 I362F207-G209 PolarHBondContact O-N 3.14Å; F207-Q210 PolarHBondContact N-O 2.87Å; F207-Q210 PolarHBondContact O-N 3.39Å; F207-L212 HydrophobicContact CB-CD2 3.71Å; F207-R360 HydrophobicContact CD1-CB 4.31Å; F207-R360 HydrophobicContact CE1-CB 4.32Å; F207-R360 PolarHBondContact O-NH1 2.88Å; F207-Q361 WeakPolarHBondContact CZ-O 3.45Å; F207-I362 HydrophobicContact CB-CG2 3.76Å; F207-I362 HydrophobicContact CD1-CG2 3.7Å; F207-I362 HydrophobicContact CD2-CB 3.98Å; F207-I362 HydrophobicContact CD2-CG2 3.55Å; F207-I362 HydrophobicContact CE1-CG2 4.13Å; F207-I362 HydrophobicContact CE2-CB 4.31Å; F207-I362 HydrophobicContact CE2-CG2 3.99Å; F207-I362 HydrophobicContact CG-CB 4.28Å; F207-I362 HydrophobicContact CG-CG2 3.37Å; F207-I362 HydrophobicContact CZ-CG2 4.26Å
208D94.8Very high98.1Very high135 Ų13532 Ų3272%0.72218%0.183SC*.THydrogen-bonded Turntrans50.840.6-170.4-61.6-29.4000113.4Q210D208-Q210 PolarHBondContact O-N 3.06Å
209G93.6Very high98.1Very high69 Ų6935.4 Ų35.471%0.71119%0.193SC*.THydrogen-bonded Turntrans72.94.9-179.700000115.1F207F207-G209 PolarHBondContact O-N 3.14Å
210Q96.8Very high98.1Very high125 Ų12534.7 Ų34.758%0.58419%0.19SC*.EExtended strand (participates in β ladder)trans-111.7139.6178.5-60.4-178.510.700111.1L206 F207 D208 L212L206-Q210 CarbonylContact C-O 3.52Å; L206-Q210 VanDerWaalsContact CA-O 3.3Å; L206-Q210 WeakPolarHBondContact CA-O 3.45Å; F207-Q210 PolarHBondContact N-O 2.87Å; F207-Q210 PolarHBondContact O-N 3.39Å; D208-Q210 PolarHBondContact O-N 3.06Å; Q210-L212 PolarHBondContact O-N 2.66Å
211I98.3Very high98.1Very high25 Ų2534.4 Ų34.413%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-56.3137.7175.2-57.8175.1000110W130 L133 D137 A205 L206 S213 R360W130-I211 HydrophobicContact CE3-CB 4.34Å; W130-I211 HydrophobicContact CE3-CG2 3.58Å; W130-I211 HydrophobicContact CH2-CB 4.42Å; W130-I211 HydrophobicContact CH2-CG2 4.49Å; W130-I211 HydrophobicContact CZ3-CB 3.73Å; W130-I211 HydrophobicContact CZ3-CG2 3.48Å; W130-I211 VanDerWaalsContact CZ3-CG2 3.48Å; L133-I211 HydrophobicContact CB-CD1 4.27Å; L133-I211 HydrophobicContact CB-CG2 3.68Å; L133-I211 HydrophobicContact CD1-CG2 3.74Å; L133-I211 HydrophobicContact CG-CG2 4.33Å; D137-I211 HydrophobicContact CB-CD1 4.05Å; A205-I211 WeakPolarHBondContact O-CA 3.34Å; L206-I211 HydrophobicContact CD2-CB 4.32Å; L206-I211 HydrophobicContact CD2-CG1 3.73Å; I211-S213 PolarHBondContact O-N 2.72Å; I211-R360 PolarHBondContact O-NH2 3.42Å
212L98.7Very high98.1Very high3 Ų337.2 Ų37.22%0.01620%0.203CC..PPolyproline II helixtrans-62.8129.4172.8-65.8-172.6000111.1W130 F203 D204 A205 F207 Q210 E216 L217 Q220 I362W130-L212 WeakPolarHBondContact CZ3-O 3.3Å; F203-L212 HydrophobicContact CD2-CD1 4.11Å; F203-L212 HydrophobicContact CE2-CD1 4.16Å; D204-L212 VanDerWaalsContact O-CD1 3.26Å; D204-L212 WeakPolarHBondContact O-CD1 3.29Å; A205-L212 WeakPolarHBondContact O-CG 3.5Å; A205-L212 PolarHBondContact O-N 3.41Å; F207-L212 HydrophobicContact CB-CD2 3.71Å; Q210-L212 PolarHBondContact O-N 2.66Å; L212-E216 WeakPolarHBondContact CA-OE2 3.37Å; L212-E216 HydrophobicContact CB-CB 4.13Å; L212-E216 HydrophobicContact CD2-CB 4.41Å; L212-L217 HydrophobicContact CB-CD2 3.87Å; L212-L217 HydrophobicContact CB-CG 3.88Å; L212-L217 HydrophobicContact CD1-CD2 4.14Å; L212-L217 WeakPolarHBondContact O-CD1 3.38Å; L212-Q220 HydrophobicContact CD1-CG 4.36Å; L212-I362 HydrophobicContact CD1-CD1 3.9Å; L212-I362 HydrophobicContact CD2-CD1 3.66Å; L212-I362 HydrophobicContact CD2-CG2 4.07Å; L212-I362 HydrophobicContact CG-CD1 4.39Å
213S98.7Very high98.1Very high14 Ų1439.4 Ų39.410%0.09821%0.212CC..PPolyproline II helixtrans-69.7163.4178.869.10000112.4I211 P215 E216 L217I211-S213 PolarHBondContact O-N 2.72Å; S213-P215 WeakPolarHBondContact OG-CD 3.49Å; S213-E216 PolarHBondContact N-OE2 2.99Å; S213-E216 WeakPolarHBondContact O-CB 3.5Å; S213-E216 PolarHBondContact O-N 3.25Å; S213-E216 WeakPolarHBondContact OG-CG 3.38Å; S213-E216 PolarHBondContact OG-OE2 3.01Å; S213-L217 WeakPolarHBondContact O-CG 3.17Å; S213-L217 PolarHBondContact O-N 3.33Å
214P98.8Very high98.1Very high2 Ų238.6 Ų38.61%0.01321%0.208CC..Hα-helixtrans-55-38.8175.2-26.535.6000115.1S126 I127 W130 E216 L218 W353S126-P214 WeakPolarHBondContact CB-O 3.35Å; S126-P214 PolarHBondContact OG-O 3.09Å; S126-P214 VanDerWaalsContact OG-O 3.1Å; I127-P214 HydrophobicContact CG1-CB 4.07Å; I127-P214 HydrophobicContact CG1-CG 4.49Å; W130-P214 HydrophobicContact CB-CG 3.72Å; W130-P214 HydrophobicContact CD2-CG 4.3Å; W130-P214 HydrophobicContact CG-CG 3.79Å; P214-E216 VanDerWaalsContact C-N 3.33Å; P214-E216 PolarHBondContact O-N 3.48Å; P214-L218 WeakPolarHBondContact O-CB 3.07Å; P214-L218 PolarHBondContact O-N 3.4Å; P214-W353 HydrophobicContact CB-CB 4.29Å; P214-W353 HydrophobicContact CB-CD2 4.19Å; P214-W353 HydrophobicContact CB-CE3 4.41Å; P214-W353 HydrophobicContact CB-CG 4.17Å; P214-W353 HydrophobicContact CG-CB 4.41Å; P214-W353 HydrophobicContact CG-CD2 3.66Å; P214-W353 HydrophobicContact CG-CE3 3.43Å; P214-W353 VanDerWaalsContact CG-CE3 3.43Å; P214-W353 HydrophobicContact CG-CG 4.12Å; P214-W353 HydrophobicContact CG-CH2 4.45Å; P214-W353 HydrophobicContact CG-CZ3 3.86Å
215P98.8Very high98.1Very high20 Ų2037 Ų3713%0.1320%0.198CC..Hα-helixtrans-59.9-39170.8-26.734.5000113.9S213 R219 V359S213-P215 WeakPolarHBondContact OG-CD 3.49Å; P215-R219 PolarHBondContact O-N 2.94Å; P215-R219 VanDerWaalsContact O-N 3.12Å; P215-V359 HydrophobicContact CB-CG2 3.74Å
216E98.8Very high98.1Very high3 Ų342.8 Ų42.81%0.01423%0.225CC..Hα-helixtrans-70.9-46.5178.5-72.1168.9159.700111.8L212 S213 P214 L218 R219 Q220 V359 R360 I362L212-E216 WeakPolarHBondContact CA-OE2 3.37Å; L212-E216 HydrophobicContact CB-CB 4.13Å; L212-E216 HydrophobicContact CD2-CB 4.41Å; S213-E216 PolarHBondContact N-OE2 2.99Å; S213-E216 WeakPolarHBondContact O-CB 3.5Å; S213-E216 PolarHBondContact O-N 3.25Å; S213-E216 WeakPolarHBondContact OG-CG 3.38Å; S213-E216 PolarHBondContact OG-OE2 3.01Å; P214-E216 VanDerWaalsContact C-N 3.33Å; P214-E216 PolarHBondContact O-N 3.48Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.38Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3.21Å; E216-Q220 WeakPolarHBondContact O-CG 3.5Å; E216-Q220 PolarHBondContact O-N 2.81Å; E216-Q220 VanDerWaalsContact O-N 3.13Å; E216-V359 HydrophobicContact CG-CB 4.35Å; E216-V359 HydrophobicContact CG-CG1 4Å; E216-R360 WeakPolarHBondContact OE1-CB 3.31Å; E216-R360 WeakPolarHBondContact OE1-CG 3.42Å; E216-R360 IonicContact OE1-CZ 3.17Å; E216-R360 PolarHBondContact OE1-N 2.73Å; E216-R360 IonicContact OE1-NE 3.89Å; E216-R360 PolarHBondContact OE1-NE 2.73Å; E216-R360 IonicContact OE1-NH2 2.92Å; E216-R360 IonicContact OE2-CZ 3.87Å; E216-R360 IonicContact OE2-NE 3.78Å; E216-R360 PolarHBondContact OE2-NE 2.94Å; E216-R360 IonicContact OE2-NH2 2.67Å; E216-R360 PolarHBondContact OE2-NH2 3.09Å; E216-I362 HydrophobicContact CB-CD1 3.81Å; E216-I362 HydrophobicContact CG-CD1 4.18Å
217L98.9Very high98.1Very high1 Ų145.8 Ų45.81%0.00523%0.233CC..Hα-helixtrans-59.6-41.2173.7-70.1168.8000111S126 T129 W130 L133 L192 F203 L212 S213 R219 Q220 L221S126-L217 WeakPolarHBondContact O-CD1 3.38Å; T129-L217 HydrophobicContact CG2-CD1 3.93Å; T129-L217 HydrophobicContact CG2-CD2 3.94Å; W130-L217 HydrophobicContact CB-CD1 3.94Å; L133-L217 HydrophobicContact CD1-CD1 4.26Å; L133-L217 HydrophobicContact CD1-CD2 4.34Å; L192-L217 HydrophobicContact CD1-CD2 4.41Å; F203-L217 HydrophobicContact CE2-CD2 3.98Å; F203-L217 HydrophobicContact CZ-CD2 4.42Å; L212-L217 HydrophobicContact CB-CD2 3.87Å; L212-L217 HydrophobicContact CB-CG 3.88Å; L212-L217 HydrophobicContact CD1-CD2 4.14Å; L212-L217 WeakPolarHBondContact O-CD1 3.38Å; S213-L217 WeakPolarHBondContact O-CG 3.17Å; S213-L217 PolarHBondContact O-N 3.33Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.86Å; L217-Q220 WeakPolarHBondContact O-CB 3.38Å; L217-Q220 PolarHBondContact O-N 2.79Å; L217-L221 VanDerWaalsContact O-CG 3.25Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 3.47Å
218L98.9Very high98.1Very high45 Ų4543.3 Ų43.324%0.23622%0.222CC..Hα-helixtrans-59.5-43.6175.8179.658.6000111.1L122 P214 E216 Q220 L221 I222L122-L218 HydrophobicContact CB-CD1 3.74Å; P214-L218 WeakPolarHBondContact O-CB 3.07Å; P214-L218 PolarHBondContact O-N 3.4Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.38Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.97Å; L218-L221 PolarHBondContact O-N 3.06Å; L218-I222 HydrophobicContact CD1-CD1 3.9Å; L218-I222 HydrophobicContact CD1-CG1 4.03Å; L218-I222 HydrophobicContact CD2-CD1 4.47Å; L218-I222 HydrophobicContact CG-CD1 3.77Å; L218-I222 HydrophobicContact CG-CG1 4.34Å; L218-I222 WeakPolarHBondContact O-CB 3.21Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.48Å; L218-I222 PolarHBondContact O-N 3.47Å
219R98.6Very high98.2Very high78 Ų7842.4 Ų42.429%0.29421%0.214SC..Hα-helixtrans-59.6-42.7175.5-168.5-168.669.6148.322.1112.2P215 E216 L217 F223 I362 P363P215-R219 PolarHBondContact O-N 2.94Å; P215-R219 VanDerWaalsContact O-N 3.12Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3.21Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.86Å; R219-F223 PolarHBondContact O-N 2.81Å; R219-F223 VanDerWaalsContact O-N 3.12Å; R219-I362 PolarHBondContact NH2-O 2.77Å; R219-P363 PolarHBondContact NH2-O 3.03Å
220Q98.9Very high98.3Very high2 Ų242.3 Ų42.31%0.00921%0.213CC..Hα-helixtrans-62.1-45.3176.6-59.4-63.1-34.400111.2F203 L212 E216 L217 L218 F223 V224 I362 P363 P365F203-Q220 HydrophobicContact CD1-CB 4.18Å; F203-Q220 HydrophobicContact CD2-CB 4.32Å; F203-Q220 HydrophobicContact CD2-CG 3.94Å; F203-Q220 HydrophobicContact CE1-CB 3.87Å; F203-Q220 HydrophobicContact CE2-CB 4.05Å; F203-Q220 HydrophobicContact CE2-CG 3.95Å; F203-Q220 HydrophobicContact CG-CB 4.4Å; F203-Q220 HydrophobicContact CG-CG 4.26Å; F203-Q220 HydrophobicContact CZ-CB 3.82Å; F203-Q220 HydrophobicContact CZ-CG 4.25Å; L212-Q220 HydrophobicContact CD1-CG 4.36Å; E216-Q220 WeakPolarHBondContact O-CG 3.5Å; E216-Q220 PolarHBondContact O-N 2.81Å; E216-Q220 VanDerWaalsContact O-N 3.13Å; L217-Q220 WeakPolarHBondContact O-CB 3.38Å; L217-Q220 PolarHBondContact O-N 2.79Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.97Å; Q220-F223 PolarHBondContact O-N 3.13Å; Q220-V224 WeakPolarHBondContact O-CG2 3.37Å; Q220-V224 PolarHBondContact O-N 3.45Å; Q220-V224 VanDerWaalsContact O-N 3.13Å; Q220-I362 HydrophobicContact CG-CD1 4.36Å; Q220-I362 VanDerWaalsContact NE2-CG1 3.26Å; Q220-P363 PolarHBondContact NE2-O 3.04Å; Q220-P363 PolarHBondContact OE1-O 2.61Å; Q220-P365 HydrophobicContact CB-CG 4.19Å
221L98.9Very high98.2Very high1 Ų139.4 Ų39.41%0.00520%0.2CC..Hα-helixtrans-68.8-39.2-178.6-65.8168.1000112.8L122 T125 V194 L217 L218 V224 K225 L278L122-L221 HydrophobicContact CD2-CB 4.31Å; T125-L221 HydrophobicContact CG2-CD1 3.64Å; T125-L221 HydrophobicContact CG2-CD2 4.25Å; V194-L221 HydrophobicContact CG1-CD2 4.36Å; V194-L221 HydrophobicContact CG2-CD2 4.22Å; L217-L221 VanDerWaalsContact O-CG 3.25Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 3.47Å; L218-L221 PolarHBondContact O-N 3.06Å; L221-V224 PolarHBondContact O-N 3.18Å; L221-K225 WeakPolarHBondContact O-CB 3.37Å; L221-K225 PolarHBondContact O-N 2.97Å; L221-L278 HydrophobicContact CD2-CD2 4.39Å
222I98.7Very high98.1Very high60 Ų6043.6 Ų43.631%0.30823%0.228SC..Hα-helixtrans-60.1-48.3173.5-72.9169.5000109.9L122 L218 V224 K225 E226L122-I222 HydrophobicContact CD1-CG1 3.87Å; L218-I222 HydrophobicContact CD1-CD1 3.9Å; L218-I222 HydrophobicContact CD1-CG1 4.03Å; L218-I222 HydrophobicContact CD2-CD1 4.47Å; L218-I222 HydrophobicContact CG-CD1 3.77Å; L218-I222 HydrophobicContact CG-CG1 4.34Å; L218-I222 WeakPolarHBondContact O-CB 3.21Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.48Å; L218-I222 PolarHBondContact O-N 3.47Å; I222-V224 VanDerWaalsContact C-N 3.33Å; I222-V224 PolarHBondContact O-N 3.41Å; I222-K225 PolarHBondContact O-N 2.85Å; I222-K225 VanDerWaalsContact O-N 3.13Å; I222-E226 VanDerWaalsContact CG2-CD 3.49Å; I222-E226 HydrophobicContact CG2-CG 4.04Å; I222-E226 WeakPolarHBondContact CG2-OE1 3.48Å; I222-E226 WeakPolarHBondContact O-CB 3.43Å; I222-E226 WeakPolarHBondContact O-CG 3.32Å; I222-E226 PolarHBondContact O-N 3.47Å
223F98.8Very high98Very high60 Ų6049.1 Ų49.126%0.26325%0.254SS..Hα-helixtrans-55.8-47.7177.7175.3-87.3000112R219 Q220 K225 R227 L364 P365R219-F223 PolarHBondContact O-N 2.81Å; R219-F223 VanDerWaalsContact O-N 3.12Å; Q220-F223 PolarHBondContact O-N 3.13Å; F223-K225 PolarHBondContact O-N 2.94Å; F223-R227 VanDerWaalsContact O-CB 3.24Å; F223-R227 WeakPolarHBondContact O-CB 3.39Å; F223-R227 PolarHBondContact O-N 2.86Å; F223-L364 HydrophobicContact CD2-CD1 4.22Å; F223-L364 HydrophobicContact CD2-CD2 3.95Å; F223-L364 HydrophobicContact CE2-CB 4.39Å; F223-L364 HydrophobicContact CE2-CD1 3.8Å; F223-L364 HydrophobicContact CE2-CD2 4.33Å; F223-L364 HydrophobicContact CE2-CG 4.4Å; F223-L364 HydrophobicContact CG-CD2 4.33Å; F223-L364 HydrophobicContact CZ-CB 4.33Å; F223-L364 HydrophobicContact CZ-CD1 4.36Å; F223-P365 HydrophobicContact CB-CG 4.45Å; F223-P365 HydrophobicContact CD1-CB 4.02Å; F223-P365 HydrophobicContact CD1-CG 3.62Å; F223-P365 HydrophobicContact CE1-CB 4.22Å; F223-P365 HydrophobicContact CE1-CG 4.25Å; F223-P365 WeakPolarHBondContact CE1-O 3.4Å; F223-P365 HydrophobicContact CG-CG 4.33Å
224V98.8Very high98Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-60-46.2177.4171.70000111V194 C196 F201 Q220 L221 I222 R227 C228 L278 P365V194-V224 HydrophobicContact CB-CG1 4.43Å; V194-V224 HydrophobicContact CB-CG2 4.48Å; V194-V224 HydrophobicContact CG1-CG1 3.88Å; C196-V224 HydrophobicContact CB-CG1 4.01Å; F201-V224 HydrophobicContact CB-CG2 3.87Å; F201-V224 HydrophobicContact CD1-CG2 4.16Å; F201-V224 HydrophobicContact CD2-CB 4.45Å; F201-V224 HydrophobicContact CD2-CG1 3.58Å; F201-V224 HydrophobicContact CD2-CG2 4.19Å; F201-V224 HydrophobicContact CE2-CG1 3.89Å; F201-V224 HydrophobicContact CG-CG1 4.09Å; F201-V224 HydrophobicContact CG-CG2 3.81Å; Q220-V224 WeakPolarHBondContact O-CG2 3.37Å; Q220-V224 PolarHBondContact O-N 3.45Å; Q220-V224 VanDerWaalsContact O-N 3.13Å; L221-V224 PolarHBondContact O-N 3.18Å; I222-V224 VanDerWaalsContact C-N 3.33Å; I222-V224 PolarHBondContact O-N 3.41Å; V224-R227 PolarHBondContact O-N 2.97Å; V224-C228 WeakPolarHBondContact O-CB 3.24Å; V224-C228 PolarHBondContact O-N 3.32Å; V224-C228 PolarHBondContact O-SG 2.91Å; V224-L278 HydrophobicContact CG1-CD1 4.31Å; V224-P365 HydrophobicContact CG2-CB 3.9Å; V224-P365 HydrophobicContact CG2-CG 3.87Å
225K98.3Very high97.9Very high37 Ų3753 Ų5316%0.16128%0.278CS..Hα-helixtrans-63.9-50-178.4-17554.6160.7130.30111.7L122 L221 I222 F223 R227 C228 E229 E280L122-K225 HydrophobicContact CD1-CB 4.14Å; L122-K225 HydrophobicContact CD1-CG 4.27Å; L221-K225 WeakPolarHBondContact O-CB 3.37Å; L221-K225 PolarHBondContact O-N 2.97Å; I222-K225 PolarHBondContact O-N 2.85Å; I222-K225 VanDerWaalsContact O-N 3.13Å; F223-K225 PolarHBondContact O-N 2.94Å; K225-R227 VanDerWaalsContact C-N 3.32Å; K225-R227 PolarHBondContact O-N 3.38Å; K225-C228 PolarHBondContact O-N 3.49Å; K225-E229 HydrophobicContact CD-CG 4.22Å; K225-E229 WeakPolarHBondContact CE-OE1 3.29Å; K225-E229 IonicContact NZ-OE1 2.67Å; K225-E229 PolarHBondContact NZ-OE1 2.98Å; K225-E229 WeakPolarHBondContact O-CG 3.23Å; K225-E229 PolarHBondContact O-N 3.38Å; K225-E280 IonicContact NZ-OE1 3.97Å; K225-E280 PolarHBondContact NZ-OE1 2.8Å
226E98.1Very high97.9Very high123 Ų12352.1 Ų52.158%0.57527%0.273SS*.Hα-helixtrans-60.8-41178.5-71.3177.6165.800111.6I222 C228 E229 G230I222-E226 VanDerWaalsContact CG2-CD 3.49Å; I222-E226 HydrophobicContact CG2-CG 4.04Å; I222-E226 WeakPolarHBondContact CG2-OE1 3.48Å; I222-E226 WeakPolarHBondContact O-CB 3.43Å; I222-E226 WeakPolarHBondContact O-CG 3.32Å; I222-E226 PolarHBondContact O-N 3.47Å; E226-C228 VanDerWaalsContact C-N 3.34Å; E226-C228 PolarHBondContact O-N 2.97Å; E226-E229 PolarHBondContact O-N 2.93Å; E226-G230 PolarHBondContact O-N 2.76Å
227R97.8Very high97.9Very high106 Ų10652.3 Ų52.340%0.427%0.274SS..Hα-helixtrans-61.1-42.6176-170.169.4176137.513111.9R199 F201 F223 V224 K225 E231R199-R227 PolarHBondContact NH1-O 3.12Å; F201-R227 HydrophobicContact CE1-CG 4.11Å; F201-R227 HydrophobicContact CZ-CB 4.36Å; F201-R227 HydrophobicContact CZ-CG 4.04Å; F223-R227 VanDerWaalsContact O-CB 3.24Å; F223-R227 WeakPolarHBondContact O-CB 3.39Å; F223-R227 PolarHBondContact O-N 2.86Å; V224-R227 PolarHBondContact O-N 2.97Å; K225-R227 VanDerWaalsContact C-N 3.32Å; K225-R227 PolarHBondContact O-N 3.38Å; R227-E231 IonicContact CZ-OE1 3.57Å; R227-E231 IonicContact CZ-OE2 2.7Å; R227-E231 IonicContact NE-OE1 3.44Å; R227-E231 IonicContact NE-OE2 3.53Å; R227-E231 IonicContact NH1-OE1 3.37Å; R227-E231 PolarHBondContact NH1-OE1 3.22Å; R227-E231 IonicContact NH2-OE1 2.7Å; R227-E231 PolarHBondContact NH2-OE1 3.25Å; R227-E231 IonicContact NH2-OE2 3.43Å; R227-E231 PolarHBondContact NH2-OE2 3.22Å
228C97.9Very high97.8Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-74.7-26.1179.5-65.20000113.5C196 R197 F201 V224 K225 E226C196-C228 HydrophobicContact CB-CB 4.33Å; R197-C228 HydrophobicContact CB-CB 4.22Å; R197-C228 WeakPolarHBondContact CD-O 3.47Å; R197-C228 HydrophobicContact CG-CB 4.32Å; R197-C228 PolarHBondContact NE-O 3.2Å; F201-C228 WeakPolarHBondContact CE2-SG 3.25Å; V224-C228 WeakPolarHBondContact O-CB 3.24Å; V224-C228 PolarHBondContact O-N 3.32Å; V224-C228 PolarHBondContact O-SG 2.91Å; K225-C228 PolarHBondContact O-N 3.49Å; E226-C228 VanDerWaalsContact C-N 3.34Å; E226-C228 PolarHBondContact O-N 2.97Å
229E96.3Very high97.8Very high117 Ų11750.1 Ų50.155%0.54726%0.262SS..Hα-helixtrans-80.1-30.6175.5-74.3176.9168.300112.6K225 E226 E231K225-E229 HydrophobicContact CD-CG 4.22Å; K225-E229 WeakPolarHBondContact CE-OE1 3.29Å; K225-E229 IonicContact NZ-OE1 2.67Å; K225-E229 PolarHBondContact NZ-OE1 2.98Å; K225-E229 WeakPolarHBondContact O-CG 3.23Å; K225-E229 PolarHBondContact O-N 3.38Å; E226-E229 PolarHBondContact O-N 2.93Å; E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 2.73Å
230G96.6Very high97.9Very high67 Ų6746.5 Ų46.569%0.69125%0.249SC*.SBendtrans-79.1-4.1178.700000115.2E226E226-G230 PolarHBondContact O-N 2.76Å
231E95.3Very high97.9Very high64 Ų6446.4 Ų46.430%0.29925%0.248SC..SBendtrans-141.4163.9-171.3-75.3-175.1176.900112.1R199 R227 E229R199-E231 IonicContact CZ-OE2 2.76Å; R199-E231 IonicContact NH1-OE2 3.83Å; R199-E231 PolarHBondContact NH1-OE2 3.39Å; R199-E231 IonicContact NH2-OE2 3.51Å; R199-E231 PolarHBondContact NH2-OE2 2.9Å; R227-E231 IonicContact CZ-OE1 3.57Å; R227-E231 IonicContact CZ-OE2 2.7Å; R227-E231 IonicContact NE-OE1 3.44Å; R227-E231 IonicContact NE-OE2 3.53Å; R227-E231 IonicContact NH1-OE1 3.37Å; R227-E231 PolarHBondContact NH1-OE1 3.22Å; R227-E231 IonicContact NH2-OE1 2.7Å; R227-E231 PolarHBondContact NH2-OE1 3.25Å; R227-E231 IonicContact NH2-OE2 3.43Å; R227-E231 PolarHBondContact NH2-OE2 3.22Å; E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 2.73Å
232P96.5Very high97.9Very high112 Ų11246.3 Ų46.373%0.72725%0.248SC*.PPolyproline II helixtrans-57.8159.5175.6-23.534.5000112.9G234P232-G234 PolarHBondContact O-N 2.92Å
233E96.5Very high97.8Very high120 Ų12043.9 Ų43.956%0.56124%0.236SC*.PPolyproline II helixtrans-58.3139.6170-64.5-170.1179.500110.5R197R197-E233 HydrophobicContact CB-CG 4.43Å; R197-E233 IonicContact CZ-OE1 2.69Å; R197-E233 IonicContact NH1-OE1 3.96Å; R197-E233 PolarHBondContact NH1-OE1 2.67Å; R197-E233 IonicContact NH2-OE1 3.75Å; R197-E233 PolarHBondContact NH2-OE1 2.95Å; R197-E233 WeakPolarHBondContact O-CA 3.45Å
234G97.5Very high97.8Very high20 Ų2043 Ų4321%0.20623%0.233CC..PPolyproline II helixtrans-71.716917400000111.9R197 P232 G236R197-G234 PolarHBondContact O-N 3.37Å; P232-G234 PolarHBondContact O-N 2.92Å; G234-G236 PolarHBondContact O-N 3.45Å; G234-G236 VanDerWaalsContact O-N 3.08Å
235D97.2Very high97.8Very high77 Ų7743 Ų4341%0.41223%0.233SC..  trans-59.5-26.9-177.3-66.6-66.8000113.7V237 L372 H377 I380 K384D235-V237 HydrophobicContact CB-CG2 4.44Å; D235-L372 HydrophobicContact CB-CD1 3.54Å; D235-L372 VanDerWaalsContact CG-CD1 3.46Å; D235-L372 WeakPolarHBondContact OD2-CD1 3.5Å; D235-H377 IonicContact OD1-CE1 3.16Å; D235-H377 PolarHBondContact OD1-CE1 3.06Å; D235-H377 IonicContact OD1-ND1 3.68Å; D235-H377 PolarHBondContact OD1-ND1 3.06Å; D235-I380 HydrophobicContact CB-CD1 4.4Å; D235-I380 VanDerWaalsContact O-CG2 3.26Å; D235-I380 WeakPolarHBondContact O-CG2 3.44Å; D235-K384 WeakPolarHBondContact O-CE 3.39Å; D235-K384 PolarHBondContact O-NZ 3.41Å
236G98Very high97.9Very high1 Ų142.6 Ų42.61%0.0123%0.233CC..  trans73.844179.300000112.8G198 G234 S238 A239G198-G236 WeakPolarHBondContact O-CA 3.5Å; G198-G236 PolarHBondContact O-N 2.64Å; G234-G236 PolarHBondContact O-N 3.45Å; G234-G236 VanDerWaalsContact O-N 3.08Å; G236-S238 PolarHBondContact O-N 3.07Å; G236-S238 VanDerWaalsContact O-N 3.16Å; G236-A239 VanDerWaalsContact O-CB 3.24Å; G236-A239 WeakPolarHBondContact O-CB 3.3Å; G236-A239 PolarHBondContact O-N 3.14Å
237V98.8Very high97.9Very high7 Ų741.8 Ų41.84%0.04223%0.225CC..G310 helixtrans-51.9-34.3178.5176.80000112.6D235 A239 L240 L255 F370 L372 I380D235-V237 HydrophobicContact CB-CG2 4.44Å; V237-A239 PolarHBondContact O-N 3.27Å; V237-A239 VanDerWaalsContact O-N 3.1Å; V237-L240 HydrophobicContact CG1-CD1 4.13Å; V237-L240 WeakPolarHBondContact O-CB 3.46Å; V237-L240 WeakPolarHBondContact O-CG 3.39Å; V237-L240 PolarHBondContact O-N 2.86Å; V237-L255 HydrophobicContact CG1-CD1 4.01Å; V237-F370 HydrophobicContact CB-CD2 4.21Å; V237-F370 HydrophobicContact CB-CE2 4.27Å; V237-F370 HydrophobicContact CG1-CD1 4.12Å; V237-F370 HydrophobicContact CG1-CD2 4.2Å; V237-F370 HydrophobicContact CG1-CE1 3.96Å; V237-F370 HydrophobicContact CG1-CE2 4.04Å; V237-F370 HydrophobicContact CG1-CG 4.23Å; V237-F370 HydrophobicContact CG1-CZ 3.9Å; V237-F370 HydrophobicContact CG2-CB 4.1Å; V237-F370 HydrophobicContact CG2-CD2 3.92Å; V237-F370 HydrophobicContact CG2-CE2 4.48Å; V237-F370 HydrophobicContact CG2-CG 3.95Å; V237-L372 HydrophobicContact CG2-CD1 4.03Å; V237-L372 HydrophobicContact CG2-CD2 4.12Å; V237-I380 HydrophobicContact CB-CD1 4.49Å; V237-I380 HydrophobicContact CG2-CD1 3.92Å
238S98.6Very high97.9Very high0 Ų036.8 Ų36.80%021%0.206CC..G310 helixtrans-54.5-26.4175.653.50000113.7G236 L240 T241 P302 T303 R305G236-S238 PolarHBondContact O-N 3.07Å; G236-S238 VanDerWaalsContact O-N 3.16Å; S238-L240 PolarHBondContact O-N 3.46Å; S238-L240 VanDerWaalsContact O-N 3.15Å; S238-T241 WeakPolarHBondContact O-CB 3.37Å; S238-T241 WeakPolarHBondContact O-CG2 3.38Å; S238-T241 PolarHBondContact O-N 3.22Å; S238-T241 PolarHBondContact O-OG1 3.35Å; S238-P302 CarbonylContact C-O 3.56Å; S238-P302 PolarHBondContact OG-O 3.03Å; S238-T303 WeakPolarHBondContact OG-CA 3.42Å; S238-T303 PolarHBondContact OG-O 3.07Å; S238-R305 WeakPolarHBondContact CB-O 3.49Å
239A98.8Very high98Very high0 Ų036.9 Ų36.90%021%0.207CC..G310 helixtrans-60.3-2617600000113.1G236 V237 T241 S242 P302 T303 A383 K384G236-A239 VanDerWaalsContact O-CB 3.24Å; G236-A239 WeakPolarHBondContact O-CB 3.3Å; G236-A239 PolarHBondContact O-N 3.14Å; V237-A239 PolarHBondContact O-N 3.27Å; V237-A239 VanDerWaalsContact O-N 3.1Å; A239-T241 PolarHBondContact O-N 3.26Å; A239-S242 VanDerWaalsContact O-CB 3.31Å; A239-S242 WeakPolarHBondContact O-CB 3.32Å; A239-S242 PolarHBondContact O-N 3.43Å; A239-S242 PolarHBondContact O-OG 3.39Å; A239-P302 WeakPolarHBondContact CA-O 3.32Å; A239-P302 HydrophobicContact CB-CB 4.11Å; A239-P302 HydrophobicContact CB-CG 4.36Å; A239-P302 PolarHBondContact N-O 3.36Å; A239-T303 HydrophobicContact CB-CG2 4.44Å; A239-A383 WeakPolarHBondContact O-CB 3.43Å; A239-K384 HydrophobicContact CB-CG 3.53Å
240L98.9Very high98.1Very high2 Ų237 Ų371%0.0121%0.205CC..G310 helixtrans-61.1-27.5175.8-63.3171.9000112.8V237 S238 S242 D243 W248 A251 L255 D379 I380 A383V237-L240 HydrophobicContact CG1-CD1 4.13Å; V237-L240 WeakPolarHBondContact O-CB 3.46Å; V237-L240 WeakPolarHBondContact O-CG 3.39Å; V237-L240 PolarHBondContact O-N 2.86Å; S238-L240 PolarHBondContact O-N 3.46Å; S238-L240 VanDerWaalsContact O-N 3.15Å; L240-S242 PolarHBondContact O-N 3.18Å; L240-S242 VanDerWaalsContact O-N 3.16Å; L240-D243 PolarHBondContact O-N 2.95Å; L240-W248 HydrophobicContact CB-CD2 4.14Å; L240-W248 HydrophobicContact CB-CE3 3.43Å; L240-W248 VanDerWaalsContact CB-CE3 3.43Å; L240-W248 HydrophobicContact CB-CH2 4.24Å; L240-W248 HydrophobicContact CB-CZ3 3.51Å; L240-W248 HydrophobicContact CD1-CE3 4.28Å; L240-W248 HydrophobicContact CD1-CZ3 3.71Å; L240-W248 HydrophobicContact CG-CE3 4.4Å; L240-W248 HydrophobicContact CG-CZ3 4.24Å; L240-W248 WeakPolarHBondContact O-CB 3.44Å; L240-A251 HydrophobicContact CD1-CB 4.43Å; L240-A251 HydrophobicContact CD2-CB 4.18Å; L240-L255 HydrophobicContact CD1-CD1 3.79Å; L240-D379 HydrophobicContact CD2-CB 3.88Å; L240-I380 HydrophobicContact CD1-CG1 3.89Å; L240-I380 HydrophobicContact CD2-CB 4.47Å; L240-I380 HydrophobicContact CD2-CG1 3.89Å; L240-I380 HydrophobicContact CG-CG1 3.8Å; L240-A383 HydrophobicContact CD2-CB 4.23Å
241T98.9Very high98.2Very high0 Ų034.1 Ų34.10%018%0.175CC..G310 helixtrans-67.2-13.4176.967.30000113.3Q98 S238 A239 R245 W248 W306 G307Q98-T241 PolarHBondContact OE1-OG1 2.93Å; S238-T241 WeakPolarHBondContact O-CB 3.37Å; S238-T241 WeakPolarHBondContact O-CG2 3.38Å; S238-T241 PolarHBondContact O-N 3.22Å; S238-T241 PolarHBondContact O-OG1 3.35Å; A239-T241 PolarHBondContact O-N 3.26Å; T241-R245 PolarHBondContact O-NH1 3.4Å; T241-W248 HydrophobicContact CG2-CZ2 3.97Å; T241-W306 HydrophobicContact CG2-CD2 3.73Å; T241-W306 HydrophobicContact CG2-CE3 3.98Å; T241-W306 HydrophobicContact CG2-CG 4.19Å; T241-W306 HydrophobicContact CG2-CH2 4.34Å; T241-W306 HydrophobicContact CG2-CZ2 4.08Å; T241-W306 HydrophobicContact CG2-CZ3 4.3Å; T241-G307 PolarHBondContact OG1-N 3.12Å
242S98.8Very high98.4Very high0 Ų032.9 Ų32.90%017%0.167CC..G310 helixtrans-92.4-8.6-178.880.20000114.6P96 Q98 A239 L240 Y387P96-S242 WeakPolarHBondContact CB-O 3.27Å; Q98-S242 VanDerWaalsContact OE1-CB 3.28Å; A239-S242 VanDerWaalsContact O-CB 3.31Å; A239-S242 WeakPolarHBondContact O-CB 3.32Å; A239-S242 PolarHBondContact O-N 3.43Å; A239-S242 PolarHBondContact O-OG 3.39Å; L240-S242 PolarHBondContact O-N 3.18Å; L240-S242 VanDerWaalsContact O-N 3.16Å; S242-Y387 VanDerWaalsContact CB-CD2 3.41Å; S242-Y387 WeakPolarHBondContact OG-CB 3.17Å
243D98.5Very high98.5Very high8 Ų832.7 Ų32.74%0.04316%0.157CC..SBendtrans-81174.1-178.7-158.7-3.9000111.8L240 R247 H382 A383L240-D243 PolarHBondContact O-N 2.95Å; D243-R247 IonicContact OD1-NE 3.34Å; D243-R247 WeakPolarHBondContact OD2-CB 3.43Å; D243-R247 IonicContact OD2-NE 3.59Å; D243-R247 PolarHBondContact OD2-NE 2.94Å; D243-R247 VanDerWaalsContact OD2-NE 3.1Å; D243-H382 IonicContact OD2-CD2 3.67Å; D243-A383 HydrophobicContact CB-CB 4.05Å
244E98.7Very high98.6Very high43 Ų4328.6 Ų28.620%0.20114%0.138CC..  trans-52.6141.1168.7-174.7-71.2137.500110.4R94 P96 T246 R247 W248R94-E244 WeakPolarHBondContact CB-OE1 3.19Å; R94-E244 WeakPolarHBondContact O-CG 3.08Å; R94-E244 VanDerWaalsContact O-OE1 3.05Å; P96-E244 HydrophobicContact CG-CB 4.36Å; E244-T246 VanDerWaalsContact C-N 3.32Å; E244-T246 PolarHBondContact O-N 3.49Å; E244-T246 VanDerWaalsContact OE1-CB 3.27Å; E244-T246 WeakPolarHBondContact OE1-CB 3.45Å; E244-T246 PolarHBondContact OE1-N 2.96Å; E244-T246 PolarHBondContact OE1-OG1 3.13Å; E244-T246 VanDerWaalsContact OE2-CA 3.28Å; E244-T246 WeakPolarHBondContact OE2-CA 3.42Å; E244-T246 WeakPolarHBondContact OE2-CB 3.31Å; E244-T246 PolarHBondContact OE2-N 2.88Å; E244-R247 HydrophobicContact CB-CB 4.43Å; E244-R247 HydrophobicContact CB-CG 4.29Å; E244-R247 PolarHBondContact O-N 3.47Å; E244-R247 VanDerWaalsContact O-N 3.16Å; E244-R247 WeakPolarHBondContact OE2-CG 3.17Å; E244-R247 PolarHBondContact OE2-N 2.93Å; E244-W248 PolarHBondContact O-N 2.94Å
245R98.8Very high98.7Very high0 Ų027.7 Ų27.70%013%0.128CC..Hα-helixtrans-63.3-37.6-164.6-52.6-45.3-62.1165.1-3.6113V93 R94 I95 S97 D174 T241 A249 D308V93-R245 WeakPolarHBondContact O-CG 3.49Å; R94-R245 WeakPolarHBondContact O-CG 3.44Å; R94-R245 PolarHBondContact O-N 3.05Å; I95-R245 WeakPolarHBondContact O-CD 3.41Å; I95-R245 WeakPolarHBondContact O-CG 3.18Å; S97-R245 PolarHBondContact OG-NH1 3.41Å; D174-R245 IonicContact OD2-CZ 2.93Å; D174-R245 IonicContact OD2-NE 3.12Å; D174-R245 PolarHBondContact OD2-NE 3.46Å; D174-R245 IonicContact OD2-NH2 3.29Å; D174-R245 PolarHBondContact OD2-NH2 3.36Å; T241-R245 PolarHBondContact O-NH1 3.4Å; R245-A249 WeakPolarHBondContact O-CB 3.39Å; R245-A249 PolarHBondContact O-N 3.04Å; R245-D308 IonicContact CZ-OD1 2.69Å; R245-D308 IonicContact NH1-OD1 2.87Å; R245-D308 PolarHBondContact NH1-OD1 2.75Å; R245-D308 IonicContact NH2-OD1 3.93Å; R245-D308 PolarHBondContact NH2-OD1 2.82Å; R245-D308 IonicContact NH2-OD2 3.64Å
246T98.8Very high98.7Very high27 Ų2726 Ų2617%0.16612%0.119CC..Hα-helixtrans-70.4-40.7178-43.60000112V171 E244 A249 K250V171-T246 HydrophobicContact CG1-CG2 3.96Å; V171-T246 WeakPolarHBondContact O-CG2 3.3Å; V171-T246 PolarHBondContact O-OG1 3.44Å; E244-T246 VanDerWaalsContact C-N 3.32Å; E244-T246 PolarHBondContact O-N 3.49Å; E244-T246 VanDerWaalsContact OE1-CB 3.27Å; E244-T246 WeakPolarHBondContact OE1-CB 3.45Å; E244-T246 PolarHBondContact OE1-N 2.96Å; E244-T246 PolarHBondContact OE1-OG1 3.13Å; E244-T246 VanDerWaalsContact OE2-CA 3.28Å; E244-T246 WeakPolarHBondContact OE2-CA 3.42Å; E244-T246 WeakPolarHBondContact OE2-CB 3.31Å; E244-T246 PolarHBondContact OE2-N 2.88Å; T246-A249 PolarHBondContact O-N 2.96Å; T246-K250 WeakPolarHBondContact O-CG 3.48Å; T246-K250 PolarHBondContact O-N 3.17Å; T246-K250 VanDerWaalsContact O-N 3.08Å
247R98.8Very high98.8Very high106 Ų10630.2 Ų30.240%0.415%0.148SC..Hα-helixtrans-63.5-46.6174.7-68.9-178.870.189.48.2110.6D243 E244 A249 K250 A251 H382D243-R247 IonicContact OD1-NE 3.34Å; D243-R247 WeakPolarHBondContact OD2-CB 3.43Å; D243-R247 IonicContact OD2-NE 3.59Å; D243-R247 PolarHBondContact OD2-NE 2.94Å; D243-R247 VanDerWaalsContact OD2-NE 3.1Å; E244-R247 HydrophobicContact CB-CB 4.43Å; E244-R247 HydrophobicContact CB-CG 4.29Å; E244-R247 PolarHBondContact O-N 3.47Å; E244-R247 VanDerWaalsContact O-N 3.16Å; E244-R247 WeakPolarHBondContact OE2-CG 3.17Å; E244-R247 PolarHBondContact OE2-N 2.93Å; R247-A249 VanDerWaalsContact C-N 3.35Å; R247-A249 PolarHBondContact O-N 3.22Å; R247-K250 PolarHBondContact O-N 3.38Å; R247-A251 WeakPolarHBondContact O-CB 3.25Å; R247-A251 PolarHBondContact O-N 2.74Å; R247-H382 VanDerWaalsContact CZ-NE2 3.29Å; R247-H382 PolarHBondContact NE-NE2 3.29Å; R247-H382 PolarHBondContact NH2-CD2 3.23Å; R247-H382 PolarHBondContact NH2-NE2 3.39Å
248W98.8Very high98.7Very high2 Ų232.4 Ų32.41%0.00816%0.159CC..Hα-helixtrans-60-45.2174.5176.5-152.8000111.2P169 L240 T241 E244 K250 A251 R252 L255 L266 W306 D308P169-W248 HydrophobicContact CB-CB 4.28Å; P169-W248 VanDerWaalsContact CB-CD1 3.43Å; P169-W248 HydrophobicContact CB-CG 3.84Å; P169-W248 VanDerWaalsContact CG-CD1 3.45Å; P169-W248 HydrophobicContact CG-CD2 3.93Å; P169-W248 HydrophobicContact CG-CG 3.78Å; P169-W248 HydrophobicContact CG-CZ2 4.34Å; L240-W248 HydrophobicContact CB-CD2 4.14Å; L240-W248 HydrophobicContact CB-CE3 3.43Å; L240-W248 VanDerWaalsContact CB-CE3 3.43Å; L240-W248 HydrophobicContact CB-CH2 4.24Å; L240-W248 HydrophobicContact CB-CZ3 3.51Å; L240-W248 HydrophobicContact CD1-CE3 4.28Å; L240-W248 HydrophobicContact CD1-CZ3 3.71Å; L240-W248 HydrophobicContact CG-CE3 4.4Å; L240-W248 HydrophobicContact CG-CZ3 4.24Å; L240-W248 WeakPolarHBondContact O-CB 3.44Å; T241-W248 HydrophobicContact CG2-CZ2 3.97Å; E244-W248 PolarHBondContact O-N 2.94Å; W248-K250 VanDerWaalsContact C-N 3.32Å; W248-K250 PolarHBondContact O-N 2.84Å; W248-A251 HydrophobicContact CE3-CB 4.08Å; W248-A251 HydrophobicContact CZ3-CB 4.42Å; W248-A251 PolarHBondContact O-N 3.16Å; W248-R252 HydrophobicContact CD2-CB 4.42Å; W248-R252 HydrophobicContact CE3-CB 3.98Å; W248-R252 HydrophobicContact CH2-CB 3.76Å; W248-R252 HydrophobicContact CH2-CG 4.02Å; W248-R252 HydrophobicContact CZ2-CB 4.23Å; W248-R252 HydrophobicContact CZ2-CG 4.37Å; W248-R252 HydrophobicContact CZ3-CB 3.62Å; W248-R252 HydrophobicContact CZ3-CG 4.37Å; W248-R252 WeakPolarHBondContact O-CB 3.44Å; W248-R252 PolarHBondContact O-N 2.94Å; W248-L255 HydrophobicContact CH2-CD1 4.35Å; W248-L255 HydrophobicContact CZ3-CD1 4.15Å; W248-L266 HydrophobicContact CH2-CD2 4.32Å; W248-W306 HydrophobicContact CZ2-CZ2 4.42Å; W248-D308 PolarHBondContact NE1-OD2 3.11Å
249A98.9Very high98.7Very high2 Ų234.4 Ų34.42%0.01717%0.17CC..Hα-helixtrans-54.4-47176.300000112.5P169 G170 V171 R245 T246 R247 R252 E253P169-A249 HydrophobicContact CB-CB 4Å; G170-A249 VanDerWaalsContact C-CB 3.42Å; V171-A249 HydrophobicContact CG2-CB 4.24Å; R245-A249 WeakPolarHBondContact O-CB 3.39Å; R245-A249 PolarHBondContact O-N 3.04Å; T246-A249 PolarHBondContact O-N 2.96Å; R247-A249 VanDerWaalsContact C-N 3.35Å; R247-A249 PolarHBondContact O-N 3.22Å; A249-R252 WeakPolarHBondContact O-CB 3.45Å; A249-R252 PolarHBondContact O-N 2.95Å; A249-E253 WeakPolarHBondContact O-CG 3.1Å; A249-E253 PolarHBondContact O-N 2.89Å
250K98.9Very high98.6Very high120 Ų12039.1 Ų39.152%0.52220%0.2SC..Hα-helixtrans-68.6-38.7178.7-70173.6179.5177.50113.1T246 R247 W248 R252 E253 H254T246-K250 WeakPolarHBondContact O-CG 3.48Å; T246-K250 PolarHBondContact O-N 3.17Å; T246-K250 VanDerWaalsContact O-N 3.08Å; R247-K250 PolarHBondContact O-N 3.38Å; W248-K250 VanDerWaalsContact C-N 3.32Å; W248-K250 PolarHBondContact O-N 2.84Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-E253 PolarHBondContact O-N 2.75Å; K250-H254 WeakPolarHBondContact O-CB 3.4Å; K250-H254 PolarHBondContact O-N 3.47Å
251A98.9Very high98.6Very high6 Ų643.3 Ų43.35%0.0522%0.22CC..Hα-helixtrans-65.8-39175.200000110.8L240 R247 W248 H254 L255 D379L240-A251 HydrophobicContact CD1-CB 4.43Å; L240-A251 HydrophobicContact CD2-CB 4.18Å; R247-A251 WeakPolarHBondContact O-CB 3.25Å; R247-A251 PolarHBondContact O-N 2.74Å; W248-A251 HydrophobicContact CE3-CB 4.08Å; W248-A251 HydrophobicContact CZ3-CB 4.42Å; W248-A251 PolarHBondContact O-N 3.16Å; A251-H254 WeakPolarHBondContact O-CB 3.27Å; A251-H254 PolarHBondContact O-N 2.94Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.4Å; A251-D379 HydrophobicContact CB-CB 4.29Å
252R98.8Very high98.6Very high37 Ų3743.3 Ų43.314%0.1422%0.22CC..Hα-helixtrans-62.3-46173-172.8-178.9176.9-83.2-3.8112.3P169 W248 A249 K250 H254 L255 I256 L266P169-R252 HydrophobicContact CG-CB 4.27Å; W248-R252 HydrophobicContact CD2-CB 4.42Å; W248-R252 HydrophobicContact CE3-CB 3.98Å; W248-R252 HydrophobicContact CH2-CB 3.76Å; W248-R252 HydrophobicContact CH2-CG 4.02Å; W248-R252 HydrophobicContact CZ2-CB 4.23Å; W248-R252 HydrophobicContact CZ2-CG 4.37Å; W248-R252 HydrophobicContact CZ3-CB 3.62Å; W248-R252 HydrophobicContact CZ3-CG 4.37Å; W248-R252 WeakPolarHBondContact O-CB 3.44Å; W248-R252 PolarHBondContact O-N 2.94Å; A249-R252 WeakPolarHBondContact O-CB 3.45Å; A249-R252 PolarHBondContact O-N 2.95Å; K250-R252 VanDerWaalsContact C-N 3.33Å; R252-H254 VanDerWaalsContact C-N 3.29Å; R252-H254 PolarHBondContact O-N 2.95Å; R252-L255 PolarHBondContact O-N 3.26Å; R252-I256 HydrophobicContact CG-CD1 4.26Å; R252-I256 WeakPolarHBondContact O-CG1 3.42Å; R252-I256 PolarHBondContact O-N 3.06Å; R252-I256 VanDerWaalsContact O-N 3.14Å; R252-L266 HydrophobicContact CG-CD1 3.9Å
253E98.8Very high98.6Very high109 Ų10948 Ų4851%0.50924%0.24SC..Hα-helixtrans-58.6-43.1174.6-74.7169.5-178.500111.2A249 K250 I256 S257A249-E253 WeakPolarHBondContact O-CG 3.1Å; A249-E253 PolarHBondContact O-N 2.89Å; K250-E253 PolarHBondContact O-N 2.75Å; E253-I256 PolarHBondContact O-N 3.47Å; E253-S257 PolarHBondContact O-N 3.18Å
254H98.8Very high98.6Very high34 Ų3451.1 Ų51.116%0.15726%0.259CS..Hα-helixtrans-60.7-50.5175.7-175.362000111.9K250 A251 R252 I256 S257 I258 D373K250-H254 WeakPolarHBondContact O-CB 3.4Å; K250-H254 PolarHBondContact O-N 3.47Å; A251-H254 WeakPolarHBondContact O-CB 3.27Å; A251-H254 PolarHBondContact O-N 2.94Å; R252-H254 VanDerWaalsContact C-N 3.29Å; R252-H254 PolarHBondContact O-N 2.95Å; H254-I256 VanDerWaalsContact C-N 3.26Å; H254-I256 PolarHBondContact O-N 3.36Å; H254-S257 PolarHBondContact O-N 3.44Å; H254-S257 PolarHBondContact O-OG 2.93Å; H254-I258 WeakPolarHBondContact NE2-CD1 3.41Å; H254-I258 WeakPolarHBondContact O-CG1 3.28Å; H254-I258 PolarHBondContact O-N 3.37Å; H254-I258 VanDerWaalsContact O-N 3.09Å; H254-D373 IonicContact CD2-OD1 2.69Å; H254-D373 IonicContact CE1-OD1 3.3Å; H254-D373 IonicContact CE1-OD2 2.71Å; H254-D373 PolarHBondContact CE1-OD2 3.28Å; H254-D373 VanDerWaalsContact CE1-OD2 3.24Å; H254-D373 VanDerWaalsContact NE2-CG 3.29Å; H254-D373 IonicContact NE2-OD1 3.7Å; H254-D373 PolarHBondContact NE2-OD1 3.03Å; H254-D373 IonicContact NE2-OD2 3.07Å; H254-D373 PolarHBondContact NE2-OD2 3.31Å
255L98.8Very high98.6Very high1 Ų149.1 Ų49.11%0.00525%0.25CS..Hα-helixtrans-52.1-45.2176.6-72.2175.2000112.1V237 L240 W248 A251 R252 S257 I258 N262 F370 L372 A376V237-L255 HydrophobicContact CG1-CD1 4.01Å; L240-L255 HydrophobicContact CD1-CD1 3.79Å; W248-L255 HydrophobicContact CH2-CD1 4.35Å; W248-L255 HydrophobicContact CZ3-CD1 4.15Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.4Å; R252-L255 PolarHBondContact O-N 3.26Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-I258 PolarHBondContact O-N 2.89Å; L255-N262 PolarHBondContact O-ND2 2.96Å; L255-F370 HydrophobicContact CD1-CE1 4.38Å; L255-L372 HydrophobicContact CD2-CD2 3.39Å; L255-A376 HydrophobicContact CD2-CB 3.93Å
256I98.7Very high98.6Very high42 Ų4249.1 Ų49.122%0.21525%0.25CS..Hα-helixtrans-68.9-33.1179.7-65.7169.2000111.6R252 E253 H254 D259 K263 L266R252-I256 HydrophobicContact CG-CD1 4.26Å; R252-I256 WeakPolarHBondContact O-CG1 3.42Å; R252-I256 PolarHBondContact O-N 3.06Å; R252-I256 VanDerWaalsContact O-N 3.14Å; E253-I256 PolarHBondContact O-N 3.47Å; H254-I256 VanDerWaalsContact C-N 3.26Å; H254-I256 PolarHBondContact O-N 3.36Å; I256-D259 CarbonylContact O-C 3.56Å; I256-K263 HydrophobicContact CD1-CB 4.38Å; I256-K263 HydrophobicContact CD1-CG 4.33Å; I256-K263 HydrophobicContact CG1-CB 4.07Å; I256-K263 HydrophobicContact CG2-CB 4.16Å; I256-L266 HydrophobicContact CD1-CD1 4.01Å; I256-L266 HydrophobicContact CG1-CD1 3.88Å
257S98.5Very high98.6Very high89 Ų8951.6 Ų51.662%0.62226%0.26SS*.Hα-helixtrans-72.3-28.2179.676.30000113.8E253 H254 L255E253-S257 PolarHBondContact O-N 3.18Å; H254-S257 PolarHBondContact O-N 3.44Å; H254-S257 PolarHBondContact O-OG 2.93Å; L255-S257 VanDerWaalsContact C-N 3.33Å
258I97.8Very high98.6Very high53 Ų5348.2 Ų48.227%0.27225%0.251SS..Hα-helixtrans-68.9-45.8176-59.7162.7000109.8H254 L255 T371 D373 A376H254-I258 WeakPolarHBondContact NE2-CD1 3.41Å; H254-I258 WeakPolarHBondContact O-CG1 3.28Å; H254-I258 PolarHBondContact O-N 3.37Å; H254-I258 VanDerWaalsContact O-N 3.09Å; L255-I258 PolarHBondContact O-N 2.89Å; I258-T371 HydrophobicContact CG2-CG2 3.83Å; I258-D373 HydrophobicContact CD1-CB 4.18Å; I258-D373 WeakPolarHBondContact CD1-OD1 3.49Å; I258-A376 HydrophobicContact CD1-CB 4.19Å
259D98.1Very high98.6Very high42 Ų4248.1 Ų48.123%0.22525%0.25CS..  trans-152.3119.4-176.8-173-12.5000110.7I256 H261 N262 T371I256-D259 CarbonylContact O-C 3.56Å; D259-H261 PolarHBondContact O-N 3.16Å; D259-H261 VanDerWaalsContact O-N 3.08Å; D259-H261 VanDerWaalsContact OD1-CB 3.26Å; D259-H261 WeakPolarHBondContact OD1-CB 3.46Å; D259-H261 PolarHBondContact OD1-N 3.35Å; D259-N262 VanDerWaalsContact O-CB 3.31Å; D259-N262 WeakPolarHBondContact O-CB 3.37Å; D259-N262 PolarHBondContact O-N 2.98Å; D259-T371 HydrophobicContact CB-CG2 4.04Å; D259-T371 WeakPolarHBondContact OD2-CB 3.21Å; D259-T371 PolarHBondContact OD2-OG1 3.32Å
260P97.2Very high98.6Very high99 Ų9948.2 Ų48.264%0.64325%0.25SS*.Hα-helixtrans-55.2-24.7173.9-26.335.3000114.3N262 K263P260-N262 PolarHBondContact O-N 3.04Å; P260-K263 VanDerWaalsContact O-CB 3.24Å; P260-K263 WeakPolarHBondContact O-CB 3.31Å; P260-K263 PolarHBondContact O-N 3.44Å; P260-K263 VanDerWaalsContact O-N 3.07Å
261H98.2Very high98.6Very high90 Ų9043.4 Ų43.442%0.41723%0.232SC..Hα-helixtrans-61.3-32.2174.7-174.563.3000112.7D259 K263 T264 I265D259-H261 PolarHBondContact O-N 3.16Å; D259-H261 VanDerWaalsContact O-N 3.08Å; D259-H261 VanDerWaalsContact OD1-CB 3.26Å; D259-H261 WeakPolarHBondContact OD1-CB 3.46Å; D259-H261 PolarHBondContact OD1-N 3.35Å; H261-K263 PolarHBondContact O-N 3.01Å; H261-T264 WeakPolarHBondContact O-CB 3.46Å; H261-T264 PolarHBondContact O-N 3.23Å; H261-I265 PolarHBondContact O-N 2.92Å
262N98.8Very high98.6Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-59.4-31.4174.4-72.9-22.6000111.9L255 D259 P260 I265 L266 F370 T371L255-N262 PolarHBondContact O-ND2 2.96Å; D259-N262 VanDerWaalsContact O-CB 3.31Å; D259-N262 WeakPolarHBondContact O-CB 3.37Å; D259-N262 PolarHBondContact O-N 2.98Å; P260-N262 PolarHBondContact O-N 3.04Å; N262-I265 PolarHBondContact O-N 3.36Å; N262-L266 WeakPolarHBondContact O-CB 3.49Å; N262-L266 WeakPolarHBondContact O-CD1 3.44Å; N262-L266 WeakPolarHBondContact O-CG 3.23Å; N262-L266 PolarHBondContact O-N 2.76Å; N262-F370 HydrophobicContact CB-CD1 4.07Å; N262-F370 HydrophobicContact CB-CE1 4.39Å; N262-F370 VanDerWaalsContact OD1-CA 3.26Å; N262-F370 WeakPolarHBondContact OD1-CA 3.48Å; N262-F370 WeakPolarHBondContact OD1-CD1 3.24Å; N262-T371 PolarHBondContact ND2-O 3.49Å; N262-T371 PolarHBondContact OD1-N 2.87Å
263K98.6Very high98.6Very high98 Ų9841.4 Ų41.443%0.42622%0.223SC..Hα-helixtrans-64.2-45.4174.2-173.7-178.5166.5-175.80111I256 P260 H261 I265 L266 E267I256-K263 HydrophobicContact CD1-CB 4.38Å; I256-K263 HydrophobicContact CD1-CG 4.33Å; I256-K263 HydrophobicContact CG1-CB 4.07Å; I256-K263 HydrophobicContact CG2-CB 4.16Å; P260-K263 VanDerWaalsContact O-CB 3.24Å; P260-K263 WeakPolarHBondContact O-CB 3.31Å; P260-K263 PolarHBondContact O-N 3.44Å; P260-K263 VanDerWaalsContact O-N 3.07Å; H261-K263 PolarHBondContact O-N 3.01Å; K263-I265 VanDerWaalsContact C-N 3.32Å; K263-I265 PolarHBondContact O-N 2.69Å; K263-L266 WeakPolarHBondContact O-CB 3.3Å; K263-L266 PolarHBondContact O-N 3.18Å; K263-E267 WeakPolarHBondContact CE-OE1 3.46Å; K263-E267 IonicContact NZ-OE1 3.39Å; K263-E267 WeakPolarHBondContact O-CG 3.32Å; K263-E267 PolarHBondContact O-N 3.28Å
264T98.6Very high98.6Very high73 Ų7336.2 Ų36.245%0.44820%0.199SC..Hα-helixtrans-59.2-44.7176.2-53.80000110.8H261 L266 E267 T268H261-T264 WeakPolarHBondContact O-CB 3.46Å; H261-T264 PolarHBondContact O-N 3.23Å; T264-L266 PolarHBondContact O-N 3.31Å; T264-E267 PolarHBondContact O-N 2.62Å; T264-T268 PolarHBondContact O-N 3.2Å; T264-T268 PolarHBondContact O-OG1 3.02Å; T264-T268 VanDerWaalsContact O-OG1 3.08Å
265I98.8Very high98.6Very high2 Ų234.6 Ų34.61%0.0119%0.192CC..Hα-helixtrans-59.7-47.1176.1-66170.2000111.4H261 N262 K263 E267 T268 I269 L368 L369 F370H261-I265 PolarHBondContact O-N 2.92Å; N262-I265 PolarHBondContact O-N 3.36Å; K263-I265 VanDerWaalsContact C-N 3.32Å; K263-I265 PolarHBondContact O-N 2.69Å; I265-E267 VanDerWaalsContact C-N 3.32Å; I265-E267 PolarHBondContact O-N 3.04Å; I265-T268 WeakPolarHBondContact O-CB 3.4Å; I265-T268 PolarHBondContact O-N 2.97Å; I265-I269 HydrophobicContact CG2-CD1 4.07Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.23Å; I265-L368 HydrophobicContact CG1-CB 4.39Å; I265-L368 HydrophobicContact CG2-CB 3.73Å; I265-L368 HydrophobicContact CG2-CD1 4.11Å; I265-L368 HydrophobicContact CG2-CG 4.41Å; I265-L369 WeakPolarHBondContact CD1-O 3.05Å; I265-F370 HydrophobicContact CB-CE1 4.41Å; I265-F370 HydrophobicContact CB-CE2 4.39Å; I265-F370 HydrophobicContact CB-CZ 4.16Å; I265-F370 HydrophobicContact CD1-CD2 4.48Å; I265-F370 HydrophobicContact CD1-CG 4.47Å; I265-F370 HydrophobicContact CG2-CD2 3.99Å; I265-F370 HydrophobicContact CG2-CE1 4.03Å; I265-F370 HydrophobicContact CG2-CE2 3.29Å; I265-F370 HydrophobicContact CG2-CZ 3.32Å
266L98.9Very high98.6Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-59.1-43.6177.1-71.7164.9000111.5W248 R252 I256 N262 K263 T264 I269 Q270 W306 F370W248-L266 HydrophobicContact CH2-CD2 4.32Å; R252-L266 HydrophobicContact CG-CD1 3.9Å; I256-L266 HydrophobicContact CD1-CD1 4.01Å; I256-L266 HydrophobicContact CG1-CD1 3.88Å; N262-L266 WeakPolarHBondContact O-CB 3.49Å; N262-L266 WeakPolarHBondContact O-CD1 3.44Å; N262-L266 WeakPolarHBondContact O-CG 3.23Å; N262-L266 PolarHBondContact O-N 2.76Å; K263-L266 WeakPolarHBondContact O-CB 3.3Å; K263-L266 PolarHBondContact O-N 3.18Å; T264-L266 PolarHBondContact O-N 3.31Å; L266-I269 PolarHBondContact O-N 3.16Å; L266-Q270 WeakPolarHBondContact O-CB 3.45Å; L266-Q270 WeakPolarHBondContact O-CG 3.48Å; L266-Q270 PolarHBondContact O-N 3.15Å; L266-W306 HydrophobicContact CD2-CH2 3.6Å; L266-W306 HydrophobicContact CD2-CZ2 3.72Å; L266-F370 HydrophobicContact CD2-CE1 4.12Å; L266-F370 HydrophobicContact CD2-CZ 4.13Å; L266-F370 HydrophobicContact CG-CE1 4.04Å; L266-F370 HydrophobicContact CG-CZ 4.32Å
267E98.8Very high98.6Very high79 Ų7932.6 Ų32.637%0.36918%0.181SC..Hα-helixtrans-66.3-36.6177.7-73.5173.9173.500112.1K263 T264 I265 Q270 S271K263-E267 WeakPolarHBondContact CE-OE1 3.46Å; K263-E267 IonicContact NZ-OE1 3.39Å; K263-E267 WeakPolarHBondContact O-CG 3.32Å; K263-E267 PolarHBondContact O-N 3.28Å; T264-E267 PolarHBondContact O-N 2.62Å; I265-E267 VanDerWaalsContact C-N 3.32Å; I265-E267 PolarHBondContact O-N 3.04Å; E267-Q270 PolarHBondContact O-N 2.73Å; E267-S271 VanDerWaalsContact O-CB 3.31Å; E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 3.04Å; E267-S271 PolarHBondContact O-OG 3.07Å
268T98.9Very high98.6Very high34 Ų3428.8 Ų28.821%0.20915%0.154CC..Hα-helixtrans-59.8-45.8170.8-62.30000110.9H191 T202 T264 I265 S271 S272 L368H191-T268 PolarHBondContact NE2-O 3.37Å; T202-T268 HydrophobicContact CG2-CG2 4.14Å; T264-T268 PolarHBondContact O-N 3.2Å; T264-T268 PolarHBondContact O-OG1 3.02Å; T264-T268 VanDerWaalsContact O-OG1 3.08Å; I265-T268 WeakPolarHBondContact O-CB 3.4Å; I265-T268 PolarHBondContact O-N 2.97Å; T268-S271 PolarHBondContact O-OG 2.76Å; T268-S272 PolarHBondContact O-N 3.12Å; T268-S272 VanDerWaalsContact O-N 3.17Å; T268-L368 HydrophobicContact CG2-CD1 3.94Å; T268-L368 HydrophobicContact CG2-CD2 4.44Å
269I98.9Very high98.7Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-65.7-42.4176.9-61.4164.8000111.6V193 M195 I200 I265 L266 S271 S272 W306 K309 L368 F370V193-I269 HydrophobicContact CG2-CG1 4.38Å; M195-I269 HydrophobicContact CE-CG2 4.29Å; I200-I269 HydrophobicContact CD1-CD1 3.88Å; I200-I269 HydrophobicContact CG2-CD1 4.16Å; I200-I269 HydrophobicContact CG2-CG1 4.27Å; I265-I269 HydrophobicContact CG2-CD1 4.07Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.23Å; L266-I269 PolarHBondContact O-N 3.16Å; I269-S271 PolarHBondContact O-N 2.94Å; I269-S272 PolarHBondContact O-OG 3.03Å; I269-W306 HydrophobicContact CB-CZ2 4.43Å; I269-W306 HydrophobicContact CD1-CE3 4.23Å; I269-W306 HydrophobicContact CD1-CH2 3.71Å; I269-W306 HydrophobicContact CD1-CZ2 4.23Å; I269-W306 HydrophobicContact CD1-CZ3 3.7Å; I269-W306 HydrophobicContact CG2-CD2 3.54Å; I269-W306 HydrophobicContact CG2-CE3 4.04Å; I269-W306 HydrophobicContact CG2-CG 3.8Å; I269-W306 HydrophobicContact CG2-CH2 4.42Å; I269-W306 HydrophobicContact CG2-CZ2 4Å; I269-W306 HydrophobicContact CG2-CZ3 4.44Å; I269-K309 PolarHBondContact O-NZ 3.27Å; I269-L368 HydrophobicContact CG1-CD1 4.09Å; I269-F370 HydrophobicContact CD1-CE2 4.28Å; I269-F370 HydrophobicContact CD1-CZ 4.17Å
270Q98.9Very high98.6Very high4 Ų428.8 Ų28.82%0.01915%0.152CC..Hα-helixtrans-65.6-40.3-178.6-71.6165.3800112.4C166 Y179 L266 E267 K309C166-Q270 HydrophobicContact CB-CB 3.85Å; C166-Q270 HydrophobicContact CB-CG 3.93Å; Y179-Q270 HydrophobicContact CE2-CB 4.09Å; L266-Q270 WeakPolarHBondContact O-CB 3.45Å; L266-Q270 WeakPolarHBondContact O-CG 3.48Å; L266-Q270 PolarHBondContact O-N 3.15Å; E267-Q270 PolarHBondContact O-N 2.73Å; Q270-K309 PolarHBondContact O-NZ 2.65Å
271S98.9Very high98.6Very high20 Ų2026.3 Ų26.314%0.1414%0.137CC..Hα-helixtrans-85-14.6-176.359.60000114.8C164 P189 H191 E267 T268 I269C164-S271 PolarHBondContact SG-O 2.99Å; P189-S271 VanDerWaalsContact CB-O 3.22Å; P189-S271 WeakPolarHBondContact CB-O 3.31Å; P189-S271 WeakPolarHBondContact CG-O 3.34Å; H191-S271 PolarHBondContact CE1-OG 3.36Å; H191-S271 PolarHBondContact NE2-OG 3.43Å; E267-S271 VanDerWaalsContact O-CB 3.31Å; E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 3.04Å; E267-S271 PolarHBondContact O-OG 3.07Å; T268-S271 PolarHBondContact O-OG 2.76Å; I269-S271 PolarHBondContact O-N 2.94Å
272S98.9Very high98.5Very high0 Ų026 Ų260%013%0.134CC..SBendtrans-55.1153.8179.870.10000113C164 H191 T268 I269 F274 K309C164-S272 VanDerWaalsContact CA-O 3.23Å; C164-S272 WeakPolarHBondContact CA-O 3.38Å; C164-S272 PolarHBondContact N-O 3Å; H191-S272 WeakPolarHBondContact NE2-CA 3.5Å; H191-S272 PolarHBondContact NE2-N 3.38Å; H191-S272 CarbonylContact O-C 3.44Å; H191-S272 WeakPolarHBondContact O-CA 3.24Å; H191-S272 WeakPolarHBondContact O-CB 3.42Å; T268-S272 PolarHBondContact O-N 3.12Å; T268-S272 VanDerWaalsContact O-N 3.17Å; I269-S272 PolarHBondContact O-OG 3.03Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.2Å; S272-K309 VanDerWaalsContact O-CE 3.31Å; S272-K309 WeakPolarHBondContact O-CE 3.39Å; S272-K309 PolarHBondContact O-NZ 2.84Å; S272-K309 WeakPolarHBondContact OG-CE 3.2Å; S272-K309 PolarHBondContact OG-NZ 3.49Å
273L98.9Very high98.4Very high1 Ų126.6 Ų26.61%0.00514%0.138CC..SBendtrans-54.1-52.2177.8-68.9174.1000111.1L133 W136 Y163 C164 P189 S190 H191 L192 A205L133-L273 HydrophobicContact CD2-CD1 3.41Å; L133-L273 VanDerWaalsContact CD2-CD1 3.41Å; W136-L273 HydrophobicContact CD2-CD1 4.33Å; W136-L273 HydrophobicContact CD2-CD2 3.84Å; W136-L273 HydrophobicContact CE3-CD1 4.44Å; W136-L273 HydrophobicContact CG-CD2 3.97Å; W136-L273 HydrophobicContact CZ2-CD1 4.48Å; W136-L273 HydrophobicContact CZ2-CD2 3.74Å; Y163-L273 VanDerWaalsContact CA-O 3.27Å; Y163-L273 WeakPolarHBondContact CA-O 3.47Å; Y163-L273 HydrophobicContact CD1-CB 4.42Å; C164-L273 PolarHBondContact N-O 2.84Å; P189-L273 WeakPolarHBondContact O-CD2 3.32Å; S190-L273 VanDerWaalsContact O-CD1 3.27Å; S190-L273 WeakPolarHBondContact O-CD1 3.26Å; H191-L273 PolarHBondContact O-N 3.48Å; L192-L273 HydrophobicContact CD2-CB 4.04Å; L192-L273 HydrophobicContact CD2-CD1 4.35Å; A205-L273 HydrophobicContact CB-CD1 3.86Å
274F98.9Very high98Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans-163.4171.8174.256.4-85.5000109.3T129 T132 L133 Y163 L192 V193 S272 I276 Y311T129-F274 HydrophobicContact CG2-CZ 4.15Å; T132-F274 HydrophobicContact CG2-CD1 4.03Å; T132-F274 HydrophobicContact CG2-CE1 3.44Å; T132-F274 VanDerWaalsContact CG2-CE1 3.44Å; T132-F274 HydrophobicContact CG2-CE2 4.21Å; T132-F274 HydrophobicContact CG2-CZ 3.54Å; L133-F274 HydrophobicContact CD2-CE1 4.17Å; Y163-F274 HydrophobicContact CD1-CD1 4.01Å; Y163-F274 AromaticContact CE1-CD1 3.88Å; Y163-F274 HydrophobicContact CE1-CD1 3.88Å; Y163-F274 HydrophobicContact CE1-CE1 4.28Å; L192-F274 HydrophobicContact CD2-CD1 3.76Å; L192-F274 HydrophobicContact CD2-CD2 4.21Å; L192-F274 HydrophobicContact CD2-CE1 3.38Å; L192-F274 HydrophobicContact CD2-CE2 3.89Å; L192-F274 HydrophobicContact CD2-CG 4.15Å; L192-F274 HydrophobicContact CD2-CZ 3.45Å; L192-F274 VanDerWaalsContact CD2-CZ 3.45Å; V193-F274 PolarHBondContact N-O 2.87Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.2Å; F274-I276 HydrophobicContact CD2-CG1 3.96Å; F274-I276 HydrophobicContact CE2-CD1 3.92Å; F274-I276 HydrophobicContact CE2-CG1 3.52Å; F274-I276 HydrophobicContact CZ-CD1 4.49Å; F274-Y311 HydrophobicContact CB-CD1 3.44Å; F274-Y311 VanDerWaalsContact CB-CD1 3.44Å; F274-Y311 HydrophobicContact CB-CE1 4.12Å; F274-Y311 HydrophobicContact CB-CG 4.18Å; F274-Y311 WeakPolarHBondContact CB-O 3.01Å; F274-Y311 HydrophobicContact CD1-CD1 4.39Å; F274-Y311 HydrophobicContact CD2-CD1 4.14Å; F274-Y311 AromaticContact CD2-CE1 3.93Å; F274-Y311 HydrophobicContact CD2-CE1 3.93Å; F274-Y311 HydrophobicContact CE2-CE1 4.46Å; F274-Y311 AromaticContact CG-CD1 3.77Å; F274-Y311 HydrophobicContact CG-CD1 3.77Å; F274-Y311 AromaticContact CG-CE1 3.95Å; F274-Y311 HydrophobicContact CG-CE1 3.95Å
275V98.9Very high97.8Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-99.2136175170.50000109.9V193 M195 W306 K309 Y311 N312 S313V193-V275 HydrophobicContact CB-CG2 4.22Å; V193-V275 HydrophobicContact CG1-CG2 4.17Å; V193-V275 CarbonylContact O-C 3.5Å; V193-V275 WeakPolarHBondContact O-CA 3.46Å; M195-V275 HydrophobicContact CE-CG1 3.97Å; M195-V275 HydrophobicContact CE-CG2 4.17Å; M195-V275 HydrophobicContact CG-CG1 4.05Å; M195-V275 HydrophobicContact SD-CG1 3.95Å; V275-W306 HydrophobicContact CG2-CB 4.12Å; V275-K309 HydrophobicContact CB-CG 4.44Å; V275-K309 HydrophobicContact CG2-CB 4.21Å; V275-K309 HydrophobicContact CG2-CD 4.16Å; V275-K309 HydrophobicContact CG2-CG 3.89Å; V275-Y311 PolarHBondContact N-O 3.46Å; V275-N312 CarbonylContact O-C 3.4Å; V275-N312 WeakPolarHBondContact O-CA 3.48Å; V275-S313 PolarHBondContact O-N 2.68Å
276I98.9Very high97.5Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-106.8118.8170.5-60.1168.2000108.2T125 T129 L192 V193 V194 M195 F274 L278 S313T125-I276 HydrophobicContact CG2-CG2 4Å; T129-I276 HydrophobicContact CG2-CD1 3.91Å; L192-I276 HydrophobicContact CD1-CD1 4.29Å; L192-I276 HydrophobicContact CD2-CD1 4.46Å; V193-I276 PolarHBondContact O-N 3.29Å; V194-I276 CarbonylContact C-O 3.47Å; V194-I276 VanDerWaalsContact CA-O 3.31Å; V194-I276 WeakPolarHBondContact CA-O 3.18Å; V194-I276 HydrophobicContact CG1-CG2 4.5Å; V194-I276 HydrophobicContact CG2-CB 4.24Å; V194-I276 HydrophobicContact CG2-CD1 4.35Å; M195-I276 PolarHBondContact N-O 3.29Å; F274-I276 HydrophobicContact CD2-CG1 3.96Å; F274-I276 HydrophobicContact CE2-CD1 3.92Å; F274-I276 HydrophobicContact CE2-CG1 3.52Å; F274-I276 HydrophobicContact CZ-CD1 4.49Å; I276-L278 HydrophobicContact CG2-CD2 4.08Å; I276-S313 CarbonylContact C-O 3.56Å; I276-S313 WeakPolarHBondContact CA-O 3.43Å
277S98.8Very high97.1Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-99.3116.1175.4-54.20000109.6D279 I304 S313 A315S277-D279 PolarHBondContact O-N 3.27Å; S277-I304 WeakPolarHBondContact CB-O 3.43Å; S277-I304 PolarHBondContact OG-O 2.92Å; S277-S313 PolarHBondContact N-O 3.45Å; S277-A315 PolarHBondContact O-N 2.97Å
278L98.7Very high96.9Very high9 Ų930.5 Ų30.55%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-89.298.2170.9-58.5-175.7000108.6L122 T125 V194 M195 C196 L221 V224 I276 A315L122-L278 HydrophobicContact CD2-CD1 4.25Å; L122-L278 HydrophobicContact CD2-CD2 4.33Å; T125-L278 HydrophobicContact CG2-CD2 4.23Å; V194-L278 HydrophobicContact CG1-CD1 3.83Å; V194-L278 HydrophobicContact CG1-CG 3.84Å; M195-L278 PolarHBondContact O-N 2.71Å; C196-L278 HydrophobicContact CB-CB 4.1Å; C196-L278 HydrophobicContact CB-CD1 4.33Å; L221-L278 HydrophobicContact CD2-CD2 4.39Å; V224-L278 HydrophobicContact CG1-CD1 4.31Å; I276-L278 HydrophobicContact CG2-CD2 4.08Å; L278-A315 HydrophobicContact CD2-CB 4.23Å
279D98.1Very high96.7Very high12 Ų1231.7 Ų31.76%0.06416%0.163CC..EExtended strand (participates in β ladder)trans-99.8126.9-173.2-160.8-42.8000110.3S277 S281 I304 R305 I314 A315 F316 A317S277-D279 PolarHBondContact O-N 3.27Å; D279-S281 VanDerWaalsContact C-N 3.25Å; D279-S281 VanDerWaalsContact CG-OG 3.27Å; D279-S281 PolarHBondContact O-N 3.43Å; D279-S281 VanDerWaalsContact OD1-CB 3.24Å; D279-S281 WeakPolarHBondContact OD1-CB 3.44Å; D279-S281 PolarHBondContact OD1-N 2.9Å; D279-S281 PolarHBondContact OD1-OG 3.48Å; D279-I304 HydrophobicContact CB-CD1 3.76Å; D279-R305 IonicContact OD2-CZ 2.52Å; D279-R305 IonicContact OD2-NH2 2.87Å; D279-R305 PolarHBondContact OD2-NH2 2.91Å; D279-I314 HydrophobicContact CB-CG2 4.08Å; D279-A315 WeakPolarHBondContact CB-O 3.41Å; D279-A315 PolarHBondContact N-O 3.08Å; D279-F316 HydrophobicContact CB-CD1 3.76Å; D279-F316 HydrophobicContact CB-CE1 4.03Å; D279-F316 CarbonylContact O-C 3.55Å; D279-F316 WeakPolarHBondContact O-CA 3.46Å; D279-A317 PolarHBondContact O-N 3.39Å
280E96.9Very high96.6Very high83 Ų8332 Ų3239%0.38816%0.164SC..  trans-82.1-7.2-177.4-61.7-175.714400112.6R197 K225 A317R197-E280 WeakPolarHBondContact CD-OE1 3.34Å; R197-E280 IonicContact CZ-OE2 2.84Å; R197-E280 IonicContact NH1-OE1 3.55Å; R197-E280 IonicContact NH1-OE2 3.07Å; R197-E280 PolarHBondContact NH1-OE2 3.47Å; K225-E280 IonicContact NZ-OE1 3.97Å; K225-E280 PolarHBondContact NZ-OE1 2.8Å; E280-A317 WeakPolarHBondContact O-CB 3.34Å
281S97.1Very high96.5Very high47 Ų4732.7 Ų32.733%0.32917%0.169SC..  trans-69.5157.3174.165.90000112.4D279 F316 A317D279-S281 VanDerWaalsContact C-N 3.25Å; D279-S281 VanDerWaalsContact CG-OG 3.27Å; D279-S281 PolarHBondContact O-N 3.43Å; D279-S281 VanDerWaalsContact OD1-CB 3.24Å; D279-S281 WeakPolarHBondContact OD1-CB 3.44Å; D279-S281 PolarHBondContact OD1-N 2.9Å; D279-S281 PolarHBondContact OD1-OG 3.48Å; S281-F316 WeakPolarHBondContact OG-CD1 3.4Å; S281-A317 PolarHBondContact O-N 3.01Å
282K96.9Very high96.5Very high85 Ų8535.8 Ų35.837%0.3718%0.184SC..  trans-12879.8-176.6-62.3172.2176.2-162.30108.7E118 Y284 A317 D318E118-K282 WeakPolarHBondContact OE1-CD 3.43Å; E118-K282 WeakPolarHBondContact OE1-CE 3.4Å; E118-K282 IonicContact OE1-NZ 3.18Å; E118-K282 PolarHBondContact OE1-NZ 2.8Å; E118-K282 WeakPolarHBondContact OE2-CE 3.34Å; E118-K282 IonicContact OE2-NZ 3.5Å; E118-K282 PolarHBondContact OE2-NZ 3.22Å; K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE1 4.31Å; K282-Y284 HydrophobicContact CB-CE2 3.96Å; K282-Y284 WeakPolarHBondContact CD-OH 3.48Å; K282-Y284 WeakPolarHBondContact O-CD2 3.43Å; K282-Y284 PolarHBondContact O-N 3.26Å; K282-A317 HydrophobicContact CG-CB 3.88Å; K282-D318 HydrophobicContact CB-CB 4.23Å; K282-D318 HydrophobicContact CG-CB 4.28Å
283P95.7Very high96.4Very high11 Ų1135.9 Ų35.97%0.07118%0.184CC..  trans-78.764.2-173.235.1-37.9000111.2S285 N292 L293 A296 F316P283-S285 PolarHBondContact O-N 3.44Å; P283-S285 VanDerWaalsContact O-N 3.13Å; P283-S285 PolarHBondContact O-OG 2.96Å; P283-N292 HydrophobicContact CB-CB 4.15Å; P283-L293 HydrophobicContact CB-CB 4.49Å; P283-L293 HydrophobicContact CB-CD1 4.36Å; P283-L293 HydrophobicContact CG-CD1 3.56Å; P283-A296 HydrophobicContact CB-CB 3.83Å; P283-A296 HydrophobicContact CG-CB 4.17Å; P283-F316 HydrophobicContact CG-CB 4.14Å; P283-F316 HydrophobicContact CG-CD1 3.79Å; P283-F316 HydrophobicContact CG-CD2 3.77Å; P283-F316 HydrophobicContact CG-CE1 4.11Å; P283-F316 HydrophobicContact CG-CE2 4.09Å; P283-F316 HydrophobicContact CG-CG 3.61Å; P283-F316 HydrophobicContact CG-CZ 4.24Å
284Y91.3Very high96.3Very high133 Ų13335.8 Ų35.852%0.52218%0.184SC..  trans-44.5120.1-176.4-64.4-63.8000111.4E118 K282 N292 D318E118-Y284 PolarHBondContact OE1-OH 3.34Å; K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE1 4.31Å; K282-Y284 HydrophobicContact CB-CE2 3.96Å; K282-Y284 WeakPolarHBondContact CD-OH 3.48Å; K282-Y284 WeakPolarHBondContact O-CD2 3.43Å; K282-Y284 PolarHBondContact O-N 3.26Å; Y284-N292 PolarHBondContact O-ND2 3.28Å; Y284-D318 HydrophobicContact CE1-CB 4.46Å
285S93.3Very high96.2Very high19 Ų1937.1 Ų37.113%0.13320%0.195CC..  trans-142.3158.3-174.6-64.50000109.7P283 N289 L293P283-S285 PolarHBondContact O-N 3.44Å; P283-S285 VanDerWaalsContact O-N 3.13Å; P283-S285 PolarHBondContact O-OG 2.96Å; S285-N289 WeakPolarHBondContact CA-O 3.42Å; S285-N289 WeakPolarHBondContact CB-O 3.35Å; S285-L293 VanDerWaalsContact OG-CB 3.3Å; S285-L293 WeakPolarHBondContact OG-CB 3.2Å; S285-L293 PolarHBondContact OG-N 3.45Å; S285-L293 VanDerWaalsContact OG-N 3.14Å
286S92.3Very high96.1Very high42 Ų4237.7 Ų37.729%0.29420%0.2SC..  trans-122168.7176.4870000111E288 N289S286-E288 PolarHBondContact O-N 2.72Å; S286-E288 PolarHBondContact OG-N 3.04Å; S286-E288 VanDerWaalsContact OG-N 3.16Å; S286-E288 PolarHBondContact OG-OE2 3.3Å; S286-N289 PolarHBondContact N-O 2.83Å; S286-N289 CarbonylContact O-C 3.57Å; S286-N289 PolarHBondContact O-N 3.26Å; S286-N289 VanDerWaalsContact O-N 3.17Å; S286-N289 PolarHBondContact OG-N 3.21Å
287P91.8Very high96Very high41 Ų4137.7 Ų37.727%0.26620%0.2SC..SBendtrans-57.5-15.2172.2-27.437.6000115.2E111 Y290E111-P287 HydrophobicContact CG-CB 4.32Å; P287-Y290 WeakPolarHBondContact CA-OH 3.12Å; P287-Y290 WeakPolarHBondContact O-CE2 3.44Å; P287-Y290 PolarHBondContact O-OH 3.09Å
288E93.8Very high95.9Very high99 Ų9937.9 Ų37.946%0.46320%0.201SC..SBendtrans-102-27.3178.2-58.670.5-15100113S286 Y399 A400S286-E288 PolarHBondContact O-N 2.72Å; S286-E288 PolarHBondContact OG-N 3.04Å; S286-E288 VanDerWaalsContact OG-N 3.16Å; S286-E288 PolarHBondContact OG-OE2 3.3Å; E288-Y399 WeakPolarHBondContact O-CA 3.42Å; E288-A400 PolarHBondContact O-N 3.01Å
289N95.9Very high95.7Very high59 Ų5938.9 Ų38.932%0.31621%0.207SC..BIsolated β-bridgetrans-135106.6-177.1-177.62.5000111.3S285 S286 T291 C398 Y399S285-N289 WeakPolarHBondContact CA-O 3.42Å; S285-N289 WeakPolarHBondContact CB-O 3.35Å; S286-N289 PolarHBondContact N-O 2.83Å; S286-N289 CarbonylContact O-C 3.57Å; S286-N289 PolarHBondContact O-N 3.26Å; S286-N289 VanDerWaalsContact O-N 3.17Å; S286-N289 PolarHBondContact OG-N 3.21Å; N289-T291 WeakPolarHBondContact OD1-CB 3.21Å; N289-T291 PolarHBondContact OD1-N 2.92Å; N289-T291 PolarHBondContact OD1-OG1 2.6Å; N289-C398 PolarHBondContact OD1-O 3.24Å; N289-Y399 HydrophobicContact CB-CD1 4.04Å; N289-Y399 HydrophobicContact CB-CE1 4.24Å; N289-Y399 VanDerWaalsContact CG-CE1 3.49Å; N289-Y399 WeakPolarHBondContact OD1-CE1 3.47Å
290Y96.2Very high95.5Very high6 Ų639.2 Ų39.22%0.02421%0.213CC..  trans-101.18.3-179.2-59.6-99.3000112.4P106 L110 E111 P287 N292 L293 T294 C398 V575P106-Y290 HydrophobicContact CB-CD1 4.22Å; P106-Y290 HydrophobicContact CG-CD1 4.12Å; L110-Y290 HydrophobicContact CB-CE1 4.32Å; L110-Y290 HydrophobicContact CD1-CD1 3.73Å; L110-Y290 HydrophobicContact CD1-CE1 3.81Å; E111-Y290 WeakPolarHBondContact CG-OH 3.49Å; E111-Y290 PolarHBondContact OE1-OH 2.87Å; P287-Y290 WeakPolarHBondContact CA-OH 3.12Å; P287-Y290 WeakPolarHBondContact O-CE2 3.44Å; P287-Y290 PolarHBondContact O-OH 3.09Å; Y290-N292 PolarHBondContact O-N 3.1Å; Y290-L293 PolarHBondContact O-N 2.8Å; Y290-T294 WeakPolarHBondContact O-CB 3.42Å; Y290-T294 PolarHBondContact O-N 2.83Å; Y290-T294 PolarHBondContact O-OG1 3.29Å; Y290-C398 PolarHBondContact N-O 3.22Å; Y290-V575 HydrophobicContact CD2-CG1 4.1Å; Y290-V575 HydrophobicContact CE2-CG1 4.28Å; Y290-V575 HydrophobicContact CE2-CG2 4.39Å
291T97.5Very high95.6Very high19 Ų1938.2 Ų38.212%0.11721%0.211CC..Hα-helixtrans-55.3-50.5-168.7-62.10000111.8N289 L293 T294 A295 L396 C398N289-T291 WeakPolarHBondContact OD1-CB 3.21Å; N289-T291 PolarHBondContact OD1-N 2.92Å; N289-T291 PolarHBondContact OD1-OG1 2.6Å; T291-L293 PolarHBondContact O-N 3.4Å; T291-T294 PolarHBondContact O-N 3.39Å; T291-A295 VanDerWaalsContact O-CB 3.28Å; T291-A295 WeakPolarHBondContact O-CB 3.32Å; T291-A295 PolarHBondContact O-N 3.04Å; T291-L396 HydrophobicContact CG2-CD2 3.95Å; T291-L396 VanDerWaalsContact CG2-O 3.25Å; T291-L396 WeakPolarHBondContact CG2-O 3.21Å; T291-C398 PolarHBondContact N-O 3.43Å; T291-C398 PolarHBondContact OG1-N 2.94Å; T291-C398 PolarHBondContact OG1-O 3.3Å
292N97Very high95.6Very high86 Ų8636.1 Ų36.146%0.4620%0.196SC..Hα-helixtrans-65-43.9-177.1-66.6-23000111.8P283 Y284 Y290 A295 A296P283-N292 HydrophobicContact CB-CB 4.15Å; Y284-N292 PolarHBondContact O-ND2 3.28Å; Y290-N292 PolarHBondContact O-N 3.1Å; N292-A295 PolarHBondContact O-N 2.98Å; N292-A296 WeakPolarHBondContact O-CB 3.43Å; N292-A296 PolarHBondContact O-N 2.89Å
293L96.8Very high95.7Very high1 Ų132.6 Ų32.61%0.00518%0.182CC..Hα-helixtrans-67.4-39.5179.7-174.162.4000112.2P106 L110 P283 S285 Y290 T291 A296 G297 F316 F321P106-L293 HydrophobicContact CB-CB 4.2Å; P106-L293 HydrophobicContact CB-CD2 3.41Å; P106-L293 VanDerWaalsContact CB-CD2 3.41Å; P106-L293 HydrophobicContact CB-CG 3.62Å; L110-L293 HydrophobicContact CD1-CD2 3.53Å; L110-L293 HydrophobicContact CG-CD2 4.11Å; P283-L293 HydrophobicContact CB-CB 4.49Å; P283-L293 HydrophobicContact CB-CD1 4.36Å; P283-L293 HydrophobicContact CG-CD1 3.56Å; S285-L293 VanDerWaalsContact OG-CB 3.3Å; S285-L293 WeakPolarHBondContact OG-CB 3.2Å; S285-L293 PolarHBondContact OG-N 3.45Å; S285-L293 VanDerWaalsContact OG-N 3.14Å; Y290-L293 PolarHBondContact O-N 2.8Å; T291-L293 PolarHBondContact O-N 3.4Å; L293-A296 PolarHBondContact O-N 3.16Å; L293-G297 PolarHBondContact O-N 2.81Å; L293-F316 HydrophobicContact CD1-CD2 3.47Å; L293-F316 VanDerWaalsContact CD1-CD2 3.47Å; L293-F316 HydrophobicContact CD1-CE2 3.29Å; L293-F316 HydrophobicContact CD1-CZ 4.24Å; L293-F321 WeakPolarHBondContact CD1-O 3.4Å
294T97.6Very high95.8Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-65.9-43.5175.6-49.20000110.8P106 Y290 T291 G297 L298 L396 C398 A554P106-T294 WeakPolarHBondContact CD-OG1 3.39Å; Y290-T294 WeakPolarHBondContact O-CB 3.42Å; Y290-T294 PolarHBondContact O-N 2.83Å; Y290-T294 PolarHBondContact O-OG1 3.29Å; T291-T294 PolarHBondContact O-N 3.39Å; T294-G297 PolarHBondContact O-N 2.89Å; T294-L298 PolarHBondContact O-N 2.87Å; T294-L298 VanDerWaalsContact O-N 3.12Å; T294-L396 HydrophobicContact CG2-CD1 3.8Å; T294-L396 HydrophobicContact CG2-CD2 4.1Å; T294-C398 HydrophobicContact CG2-CB 4.48Å; T294-A554 HydrophobicContact CG2-CB 4.21Å
295A97.5Very high96.1Very high27 Ų2726 Ų2622%0.22316%0.155CC..Hα-helixtrans-61.4-46.2175.600000111.5T291 N292 G297 L298 T299T291-A295 VanDerWaalsContact O-CB 3.28Å; T291-A295 WeakPolarHBondContact O-CB 3.32Å; T291-A295 PolarHBondContact O-N 3.04Å; N292-A295 PolarHBondContact O-N 2.98Å; A295-G297 PolarHBondContact O-N 3.44Å; A295-L298 PolarHBondContact O-N 2.66Å; A295-L298 VanDerWaalsContact O-N 3.09Å; A295-T299 PolarHBondContact O-N 2.72Å; A295-T299 PolarHBondContact O-OG1 3.34Å
296A96.9Very high96.4Very high13 Ų1325.2 Ų25.211%0.10715%0.149CC..Hα-helixtrans-63.6-29.6177.900000113.5P283 N292 L293 G300 R305 F316P283-A296 HydrophobicContact CB-CB 3.83Å; P283-A296 HydrophobicContact CG-CB 4.17Å; N292-A296 WeakPolarHBondContact O-CB 3.43Å; N292-A296 PolarHBondContact O-N 2.89Å; L293-A296 PolarHBondContact O-N 3.16Å; A296-G300 WeakPolarHBondContact O-CA 3.28Å; A296-R305 PolarHBondContact O-NH1 2.92Å; A296-R305 PolarHBondContact O-NH2 2.63Å; A296-F316 HydrophobicContact CB-CE1 3.63Å; A296-F316 HydrophobicContact CB-CE2 4.49Å; A296-F316 HydrophobicContact CB-CZ 3.53Å
297G96.3Very high96.7Very high0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-66.5-42.5170.500000113.2L293 T294 A295 T324L293-G297 PolarHBondContact O-N 2.81Å; T294-G297 PolarHBondContact O-N 2.89Å; A295-G297 PolarHBondContact O-N 3.44Å; G297-T324 WeakPolarHBondContact O-CB 3.22Å
298L96Very high97Very high4 Ų421.3 Ų21.32%0.02112%0.122CC..Hα-helixtrans-81.4-44-178.1-79.5178.5000114.5T294 A295 Y387 L394 L396 A554 T579T294-L298 PolarHBondContact O-N 2.87Å; T294-L298 VanDerWaalsContact O-N 3.12Å; A295-L298 PolarHBondContact O-N 2.66Å; A295-L298 VanDerWaalsContact O-N 3.09Å; L298-Y387 PolarHBondContact O-OH 2.94Å; L298-L394 HydrophobicContact CD1-CD2 4.31Å; L298-L396 HydrophobicContact CD1-CD1 3.63Å; L298-A554 HydrophobicContact CD1-CB 3.84Å; L298-A554 WeakPolarHBondContact CD2-O 3.5Å; L298-T579 HydrophobicContact CD1-CG2 4.37Å
299T95.6Very high97.3Very high29 Ų2916.6 Ų16.618%0.17810%0.1CC..SBendtrans-100.9-70-172.164.10000110.2L99 A295 Y387 T391 L394L99-T299 HydrophobicContact CD1-CG2 4.13Å; A295-T299 PolarHBondContact O-N 2.72Å; A295-T299 PolarHBondContact O-OG1 3.34Å; T299-Y387 WeakPolarHBondContact O-CE1 3.32Å; T299-Y387 VanDerWaalsContact O-CZ 3.26Å; T299-Y387 PolarHBondContact O-OH 3.35Å; T299-T391 HydrophobicContact CG2-CG2 3.73Å; T299-L394 HydrophobicContact CG2-CD2 3.88Å
300G94.4Very high97.4Very high19 Ų1913.8 Ų13.820%0.1969%0.085CC..SBendtrans50-168.6172.700000115.8A296A296-G300 WeakPolarHBondContact O-CA 3.28Å
301N97.1Very high97.5Very high63 Ų6313.6 Ų13.634%0.3379%0.085SC..  trans-90114.8178.6178.50.4000111T303 I304 R305N301-T303 PolarHBondContact ND2-OG1 3.14Å; N301-T303 VanDerWaalsContact ND2-OG1 3.16Å; N301-T303 PolarHBondContact O-N 3Å; N301-T303 VanDerWaalsContact O-N 3.14Å; N301-T303 WeakPolarHBondContact OD1-CG2 3.37Å; N301-T303 PolarHBondContact OD1-N 2.8Å; N301-T303 PolarHBondContact OD1-OG1 3.09Å; N301-I304 HydrophobicContact CB-CD1 4.28Å; N301-I304 HydrophobicContact CB-CG1 3.99Å; N301-I304 WeakPolarHBondContact O-CG1 3.27Å; N301-I304 PolarHBondContact O-N 3.17Å; N301-R305 VanDerWaalsContact O-CG 3.25Å; N301-R305 WeakPolarHBondContact O-CG 3.46Å
302P98.2Very high97.6Very high2 Ų212.7 Ų12.71%0.0138%0.079CC..G310 helixtrans-66.5-17.4-176.730.6-37.4000113.4S238 A239 I304 R305 Y387S238-P302 CarbonylContact C-O 3.56Å; S238-P302 PolarHBondContact OG-O 3.03Å; A239-P302 WeakPolarHBondContact CA-O 3.32Å; A239-P302 HydrophobicContact CB-CB 4.11Å; A239-P302 HydrophobicContact CB-CG 4.36Å; A239-P302 PolarHBondContact N-O 3.36Å; P302-I304 PolarHBondContact O-N 3.31Å; P302-R305 PolarHBondContact O-N 3.29Å; P302-Y387 HydrophobicContact CB-CD1 3.59Å; P302-Y387 HydrophobicContact CB-CE1 3.82Å; P302-Y387 HydrophobicContact CB-CG 4.11Å; P302-Y387 HydrophobicContact CG-CD1 3.52Å; P302-Y387 HydrophobicContact CG-CE1 4.06Å; P302-Y387 HydrophobicContact CG-CG 4.23Å
303T98.6Very high97.7Very high11 Ų118.8 Ų8.87%0.0676%0.059CC..G310 helixtrans-76.1-5.7-179.276.30000113.9G198 S238 A239 N301 K384G198-T303 WeakPolarHBondContact CA-O 3.49Å; S238-T303 WeakPolarHBondContact OG-CA 3.42Å; S238-T303 PolarHBondContact OG-O 3.07Å; A239-T303 HydrophobicContact CB-CG2 4.44Å; N301-T303 PolarHBondContact ND2-OG1 3.14Å; N301-T303 VanDerWaalsContact ND2-OG1 3.16Å; N301-T303 PolarHBondContact O-N 3Å; N301-T303 VanDerWaalsContact O-N 3.14Å; N301-T303 WeakPolarHBondContact OD1-CG2 3.37Å; N301-T303 PolarHBondContact OD1-N 2.8Å; N301-T303 PolarHBondContact OD1-OG1 3.09Å; T303-K384 HydrophobicContact CG2-CD 3.82Å; T303-K384 HydrophobicContact CG2-CG 4.08Å
304I98.4Very high97.8Very high4 Ų48.8 Ų8.82%0.0216%0.058CC..G310 helixtrans-129.619.7176.758.1169.1000112.1M195 S277 D279 N301 P302M195-I304 HydrophobicContact CB-CB 4.02Å; M195-I304 HydrophobicContact CB-CG2 4.35Å; S277-I304 WeakPolarHBondContact CB-O 3.43Å; S277-I304 PolarHBondContact OG-O 2.92Å; D279-I304 HydrophobicContact CB-CD1 3.76Å; N301-I304 HydrophobicContact CB-CD1 4.28Å; N301-I304 HydrophobicContact CB-CG1 3.99Å; N301-I304 WeakPolarHBondContact O-CG1 3.27Å; N301-I304 PolarHBondContact O-N 3.17Å; P302-I304 PolarHBondContact O-N 3.31Å
305R97.8Very high97.8Very high2 Ų28.8 Ų8.81%0.0086%0.059CC..  trans-125.5132.5178.3-55.1-67.1174.179.31.7109.1S238 D279 A296 N301 P302 I314S238-R305 WeakPolarHBondContact CB-O 3.49Å; D279-R305 IonicContact OD2-CZ 2.52Å; D279-R305 IonicContact OD2-NH2 2.87Å; D279-R305 PolarHBondContact OD2-NH2 2.91Å; A296-R305 PolarHBondContact O-NH1 2.92Å; A296-R305 PolarHBondContact O-NH2 2.63Å; N301-R305 VanDerWaalsContact O-CG 3.25Å; N301-R305 WeakPolarHBondContact O-CG 3.46Å; P302-R305 PolarHBondContact O-N 3.29Å; R305-I314 VanDerWaalsContact CZ-CD1 3.45Å
306W98.8Very high97.8Very high2 Ų27.5 Ų7.51%0.0085%0.048CC..  trans-100.591.7170.1-158.3-95.3000108.5M195 I200 T241 W248 L266 I269 V275 D308 K309 N312M195-W306 HydrophobicContact CE-CB 3.81Å; M195-W306 HydrophobicContact CE-CD2 4.17Å; M195-W306 HydrophobicContact CE-CE3 3.67Å; M195-W306 HydrophobicContact CE-CG 4.27Å; M195-W306 HydrophobicContact SD-CB 4.4Å; I200-W306 HydrophobicContact CD1-CZ3 4.19Å; T241-W306 HydrophobicContact CG2-CD2 3.73Å; T241-W306 HydrophobicContact CG2-CE3 3.98Å; T241-W306 HydrophobicContact CG2-CG 4.19Å; T241-W306 HydrophobicContact CG2-CH2 4.34Å; T241-W306 HydrophobicContact CG2-CZ2 4.08Å; T241-W306 HydrophobicContact CG2-CZ3 4.3Å; W248-W306 HydrophobicContact CZ2-CZ2 4.42Å; L266-W306 HydrophobicContact CD2-CH2 3.6Å; L266-W306 HydrophobicContact CD2-CZ2 3.72Å; I269-W306 HydrophobicContact CB-CZ2 4.43Å; I269-W306 HydrophobicContact CD1-CE3 4.23Å; I269-W306 HydrophobicContact CD1-CH2 3.71Å; I269-W306 HydrophobicContact CD1-CZ2 4.23Å; I269-W306 HydrophobicContact CD1-CZ3 3.7Å; I269-W306 HydrophobicContact CG2-CD2 3.54Å; I269-W306 HydrophobicContact CG2-CE3 4.04Å; I269-W306 HydrophobicContact CG2-CG 3.8Å; I269-W306 HydrophobicContact CG2-CH2 4.42Å; I269-W306 HydrophobicContact CG2-CZ2 4Å; I269-W306 HydrophobicContact CG2-CZ3 4.44Å; V275-W306 HydrophobicContact CG2-CB 4.12Å; W306-D308 PolarHBondContact O-N 3.33Å; W306-K309 HydrophobicContact CB-CB 4.16Å; W306-K309 HydrophobicContact CG-CB 4.49Å; W306-K309 WeakPolarHBondContact O-CB 3.47Å; W306-K309 PolarHBondContact O-N 2.93Å; W306-N312 PolarHBondContact N-OD1 2.88Å; W306-N312 VanDerWaalsContact N-OD1 3.09Å; W306-N312 PolarHBondContact O-ND2 3.41Å; W306-N312 PolarHBondContact O-OD1 3Å
307G98.6Very high97.9Very high0 Ų08.1 Ų8.10%05%0.053CC..THydrogen-bonded Turntrans-58.1-20.9-173.400000114.6Q98 N102 T241Q98-G307 VanDerWaalsContact OE1-CA 3.28Å; N102-G307 PolarHBondContact ND2-O 2.98Å; T241-G307 PolarHBondContact OG1-N 3.12Å
308D98.9Very high97.8Very high1 Ų18.1 Ų8.11%0.0055%0.053CC..THydrogen-bonded Turntrans-85.3-12.9176.4-69.2-23000113.9C166 K167 R245 W248 W306C166-D308 WeakPolarHBondContact CA-O 3.33Å; C166-D308 PolarHBondContact SG-O 3.45Å; C166-D308 VanDerWaalsContact SG-O 3.39Å; K167-D308 HydrophobicContact CB-CB 4.01Å; K167-D308 PolarHBondContact N-O 3.38Å; K167-D308 WeakPolarHBondContact O-CB 3.38Å; R245-D308 IonicContact CZ-OD1 2.69Å; R245-D308 IonicContact NH1-OD1 2.87Å; R245-D308 PolarHBondContact NH1-OD1 2.75Å; R245-D308 IonicContact NH2-OD1 3.93Å; R245-D308 PolarHBondContact NH2-OD1 2.82Å; R245-D308 IonicContact NH2-OD2 3.64Å; W248-D308 PolarHBondContact NE1-OD2 3.11Å; W306-D308 PolarHBondContact O-N 3.33Å
309K98.9Very high97.8Very high0 Ų08 Ų80%05%0.052CC..BIsolated β-bridgetrans-73.4135.4-178.5-164.773.6-176.2-173.90109.2T165 C166 I269 Q270 S272 V275 W306 Y311 N312 D326T165-K309 WeakPolarHBondContact O-CD 3.4Å; C166-K309 HydrophobicContact CB-CD 4.29Å; I269-K309 PolarHBondContact O-NZ 3.27Å; Q270-K309 PolarHBondContact O-NZ 2.65Å; S272-K309 VanDerWaalsContact O-CE 3.31Å; S272-K309 WeakPolarHBondContact O-CE 3.39Å; S272-K309 PolarHBondContact O-NZ 2.84Å; S272-K309 WeakPolarHBondContact OG-CE 3.2Å; S272-K309 PolarHBondContact OG-NZ 3.49Å; V275-K309 HydrophobicContact CB-CG 4.44Å; V275-K309 HydrophobicContact CG2-CB 4.21Å; V275-K309 HydrophobicContact CG2-CD 4.16Å; V275-K309 HydrophobicContact CG2-CG 3.89Å; W306-K309 HydrophobicContact CB-CB 4.16Å; W306-K309 HydrophobicContact CG-CB 4.49Å; W306-K309 WeakPolarHBondContact O-CB 3.47Å; W306-K309 PolarHBondContact O-N 2.93Å; K309-Y311 WeakPolarHBondContact CG-O 3.5Å; K309-Y311 PolarHBondContact O-N 3.45Å; K309-N312 PolarHBondContact O-ND2 2.83Å; K309-D326 PolarHBondContact O-N 2.87Å
310S98.8Very high97.9Very high0 Ų06.7 Ų6.70%04%0.044CC..SBendtrans-61.4-35.9179.476.10000111.4M161 L162 T165 C325 Y330M161-S310 WeakPolarHBondContact O-CB 3.42Å; M161-S310 PolarHBondContact O-OG 2.73Å; L162-S310 PolarHBondContact O-OG 2.8Å; T165-S310 WeakPolarHBondContact CB-OG 3.4Å; T165-S310 WeakPolarHBondContact O-CB 3.44Å; T165-S310 PolarHBondContact O-N 3.07Å; T165-S310 VanDerWaalsContact O-N 3.1Å; T165-S310 PolarHBondContact O-OG 2.77Å; S310-C325 WeakPolarHBondContact O-CA 3.49Å; S310-C325 WeakPolarHBondContact O-CB 3.17Å; S310-C325 PolarHBondContact O-SG 3.41Å; S310-C325 VanDerWaalsContact O-SG 3.38Å; S310-Y330 PolarHBondContact O-OH 3.37Å
311Y98.8Very high98Very high3 Ų36.1 Ų6.11%0.0124%0.036CC..  trans-132.8119.8172.8178.3-135.1000113.1T132 L162 F274 V275 K309 S313 L335 M338T132-Y311 HydrophobicContact CG2-CE1 3.95Å; L162-Y311 HydrophobicContact CD1-CG 4.33Å; F274-Y311 HydrophobicContact CB-CD1 3.44Å; F274-Y311 VanDerWaalsContact CB-CD1 3.44Å; F274-Y311 HydrophobicContact CB-CE1 4.12Å; F274-Y311 HydrophobicContact CB-CG 4.18Å; F274-Y311 WeakPolarHBondContact CB-O 3.01Å; F274-Y311 HydrophobicContact CD1-CD1 4.39Å; F274-Y311 HydrophobicContact CD2-CD1 4.14Å; F274-Y311 AromaticContact CD2-CE1 3.93Å; F274-Y311 HydrophobicContact CD2-CE1 3.93Å; F274-Y311 HydrophobicContact CE2-CE1 4.46Å; F274-Y311 AromaticContact CG-CD1 3.77Å; F274-Y311 HydrophobicContact CG-CD1 3.77Å; F274-Y311 AromaticContact CG-CE1 3.95Å; F274-Y311 HydrophobicContact CG-CE1 3.95Å; V275-Y311 PolarHBondContact N-O 3.46Å; K309-Y311 WeakPolarHBondContact CG-O 3.5Å; K309-Y311 PolarHBondContact O-N 3.45Å; Y311-S313 WeakPolarHBondContact OH-CB 3.4Å; Y311-L335 HydrophobicContact CD2-CD1 3.76Å; Y311-L335 HydrophobicContact CE2-CD1 3.67Å; Y311-M338 HydrophobicContact CD1-CE 4.14Å; Y311-M338 HydrophobicContact CD1-SD 4.43Å; Y311-M338 HydrophobicContact CD2-CE 4.34Å; Y311-M338 HydrophobicContact CE1-CE 3.51Å; Y311-M338 HydrophobicContact CE1-SD 4.04Å; Y311-M338 HydrophobicContact CE2-CE 3.74Å; Y311-M338 WeakPolarHBondContact OH-CE 3.39Å
312N98.6Very high98Very high0 Ų03.1 Ų3.10%02%0.021CC..EExtended strand (participates in β ladder)trans-111.3117.5165.8-62.8-100.7000109.5V275 W306 K309 S323 T324V275-N312 CarbonylContact O-C 3.4Å; V275-N312 WeakPolarHBondContact O-CA 3.48Å; W306-N312 PolarHBondContact N-OD1 2.88Å; W306-N312 VanDerWaalsContact N-OD1 3.09Å; W306-N312 PolarHBondContact O-ND2 3.41Å; W306-N312 PolarHBondContact O-OD1 3Å; K309-N312 PolarHBondContact O-ND2 2.83Å; N312-S323 VanDerWaalsContact O-CA 3.27Å; N312-S323 WeakPolarHBondContact O-CA 3.16Å; N312-T324 HydrophobicContact CB-CG2 3.68Å; N312-T324 WeakPolarHBondContact CB-O 3.42Å; N312-T324 PolarHBondContact N-O 3.32Å; N312-T324 PolarHBondContact ND2-O 3.27Å; N312-T324 PolarHBondContact O-N 3.2Å; N312-T324 VanDerWaalsContact O-N 3.16Å
313S98.6Very high97.9Very high4 Ų43.5 Ų3.53%0.0282%0.023CC..EExtended strand (participates in β ladder)trans-87.7124.5169.9-179.30000109.7V275 I276 S277 Y311V275-S313 PolarHBondContact O-N 2.68Å; I276-S313 CarbonylContact C-O 3.56Å; I276-S313 WeakPolarHBondContact CA-O 3.43Å; S277-S313 PolarHBondContact N-O 3.45Å; Y311-S313 WeakPolarHBondContact OH-CB 3.4Å
314I98.7Very high97.9Very high0 Ų03.1 Ų3.10%02%0.021CC..EExtended strand (participates in β ladder)trans-110.6124.5-177.1-52.3159.7000108.8D279 R305 F316 F321 G322 T324D279-I314 HydrophobicContact CB-CG2 4.08Å; R305-I314 VanDerWaalsContact CZ-CD1 3.45Å; I314-F316 HydrophobicContact CB-CE2 4.34Å; I314-F316 HydrophobicContact CB-CZ 4.23Å; I314-F316 HydrophobicContact CG2-CD1 4.21Å; I314-F316 HydrophobicContact CG2-CD2 4.38Å; I314-F316 HydrophobicContact CG2-CE1 3.61Å; I314-F316 HydrophobicContact CG2-CE2 3.81Å; I314-F316 HydrophobicContact CG2-CZ 3.4Å; I314-F321 CarbonylContact O-C 3.59Å; I314-F321 WeakPolarHBondContact O-CA 3.39Å; I314-F321 WeakPolarHBondContact O-CD1 3.32Å; I314-G322 PolarHBondContact N-O 3.21Å; I314-G322 PolarHBondContact O-N 2.91Å; I314-T324 HydrophobicContact CD1-CG2 4.2Å
315A98.4Very high97.9Very high1 Ų13 Ų31%0.0082%0.02CC..EExtended strand (participates in β ladder)trans-110.6121.1173.700000109.5T125 S277 L278 D279 F321T125-A315 HydrophobicContact CG2-CB 4.12Å; T125-A315 WeakPolarHBondContact OG1-CB 3.27Å; S277-A315 PolarHBondContact O-N 2.97Å; L278-A315 HydrophobicContact CD2-CB 4.23Å; D279-A315 WeakPolarHBondContact CB-O 3.41Å; D279-A315 PolarHBondContact N-O 3.08Å; A315-F321 HydrophobicContact CB-CD1 4.02Å; A315-F321 HydrophobicContact CB-CE1 3.67Å
316F98.3Very high98Very high0 Ų02.9 Ų2.90%02%0.02CC..EExtended strand (participates in β ladder)trans-93.7159-179.4-63.1-71.9000111.4S121 D279 S281 P283 L293 A296 I314 D318 G319 T320S121-F316 VanDerWaalsContact CB-O 3.25Å; S121-F316 WeakPolarHBondContact CB-O 3.35Å; S121-F316 PolarHBondContact OG-O 3.31Å; D279-F316 HydrophobicContact CB-CD1 3.76Å; D279-F316 HydrophobicContact CB-CE1 4.03Å; D279-F316 CarbonylContact O-C 3.55Å; D279-F316 WeakPolarHBondContact O-CA 3.46Å; S281-F316 WeakPolarHBondContact OG-CD1 3.4Å; P283-F316 HydrophobicContact CG-CB 4.14Å; P283-F316 HydrophobicContact CG-CD1 3.79Å; P283-F316 HydrophobicContact CG-CD2 3.77Å; P283-F316 HydrophobicContact CG-CE1 4.11Å; P283-F316 HydrophobicContact CG-CE2 4.09Å; P283-F316 HydrophobicContact CG-CG 3.61Å; P283-F316 HydrophobicContact CG-CZ 4.24Å; L293-F316 HydrophobicContact CD1-CD2 3.47Å; L293-F316 VanDerWaalsContact CD1-CD2 3.47Å; L293-F316 HydrophobicContact CD1-CE2 3.29Å; L293-F316 HydrophobicContact CD1-CZ 4.24Å; A296-F316 HydrophobicContact CB-CE1 3.63Å; A296-F316 HydrophobicContact CB-CE2 4.49Å; A296-F316 HydrophobicContact CB-CZ 3.53Å; I314-F316 HydrophobicContact CB-CE2 4.34Å; I314-F316 HydrophobicContact CB-CZ 4.23Å; I314-F316 HydrophobicContact CG2-CD1 4.21Å; I314-F316 HydrophobicContact CG2-CD2 4.38Å; I314-F316 HydrophobicContact CG2-CE1 3.61Å; I314-F316 HydrophobicContact CG2-CE2 3.81Å; I314-F316 HydrophobicContact CG2-CZ 3.4Å; F316-D318 WeakPolarHBondContact CB-OD1 3.45Å; F316-D318 PolarHBondContact O-N 2.9Å; F316-G319 PolarHBondContact O-N 2.95Å; F316-T320 PolarHBondContact N-O 3.1Å
317A97.3Very high97.9Very high25 Ų254.7 Ų4.721%0.2073%0.028CC..THydrogen-bonded Turntrans-65.5-27.6-175.800000113.4D279 E280 S281 K282 G319D279-A317 PolarHBondContact O-N 3.39Å; E280-A317 WeakPolarHBondContact O-CB 3.34Å; S281-A317 PolarHBondContact O-N 3.01Å; K282-A317 HydrophobicContact CG-CB 3.88Å; A317-G319 PolarHBondContact O-N 3.02Å
318D95.4Very high98Very high1 Ų14.7 Ų4.71%0.0053%0.028CC..THydrogen-bonded Turntrans-77.77.7173.369.5-5.2000113.2P116 A117 K282 Y284 F316 T320P116-D318 CarbonylContact C-O 3.58Å; P116-D318 WeakPolarHBondContact CA-O 3.38Å; P116-D318 HydrophobicContact CB-CB 4.34Å; A117-D318 CarbonylContact C-O 3.47Å; A117-D318 PolarHBondContact N-O 3.45Å; A117-D318 CarbonylContact O-C 3.57Å; K282-D318 HydrophobicContact CB-CB 4.23Å; K282-D318 HydrophobicContact CG-CB 4.28Å; Y284-D318 HydrophobicContact CE1-CB 4.46Å; F316-D318 WeakPolarHBondContact CB-OD1 3.45Å; F316-D318 PolarHBondContact O-N 2.9Å; D318-T320 PolarHBondContact O-N 3.49Å; D318-T320 VanDerWaalsContact OD1-CB 3.32Å; D318-T320 WeakPolarHBondContact OD1-CB 3.4Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.26Å; D318-T320 PolarHBondContact OD1-N 2.95Å; D318-T320 PolarHBondContact OD1-OG1 3.4Å
319G96.2Very high97.9Very high0 Ų05.3 Ų5.30%03%0.033CC..SBendtrans71.914.2179.200000114.4R124 F316 A317 F321R124-G319 VanDerWaalsContact CD-O 3.31Å; R124-G319 WeakPolarHBondContact CD-O 3.39Å; R124-G319 PolarHBondContact NH1-O 2.82Å; F316-G319 PolarHBondContact O-N 2.95Å; A317-G319 PolarHBondContact O-N 3.02Å; G319-F321 VanDerWaalsContact O-CE2 3.32Å; G319-F321 WeakPolarHBondContact O-CE2 3.25Å
320T96.4Very high97.9Very high3 Ų35.3 Ų5.32%0.0183%0.033CC..  trans-86168.3166.768.20000110.8L110 P116 F316 D318L110-T320 HydrophobicContact CD2-CG2 3.57Å; P116-T320 HydrophobicContact CB-CG2 4.08Å; P116-T320 HydrophobicContact CG-CG2 3.78Å; F316-T320 PolarHBondContact N-O 3.1Å; D318-T320 PolarHBondContact O-N 3.49Å; D318-T320 VanDerWaalsContact OD1-CB 3.32Å; D318-T320 WeakPolarHBondContact OD1-CB 3.4Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.26Å; D318-T320 PolarHBondContact OD1-N 2.95Å; D318-T320 PolarHBondContact OD1-OG1 3.4Å
321F97.1Very high97.9Very high6 Ų66 Ų63%0.0264%0.036CC..EExtended strand (participates in β ladder)trans-134.1154.5-175.3-65.8-90.4000111.3G107 Y109 W114 R124 I128 L293 I314 A315 G319G107-F321 WeakPolarHBondContact CA-O 3.47Å; G107-F321 PolarHBondContact N-O 3.09Å; Y109-F321 HydrophobicContact CD2-CB 3.99Å; Y109-F321 AromaticContact CD2-CD2 3.68Å; Y109-F321 HydrophobicContact CD2-CD2 3.68Å; Y109-F321 HydrophobicContact CD2-CG 4.13Å; Y109-F321 HydrophobicContact CE2-CB 3.75Å; Y109-F321 AromaticContact CE2-CD2 3.93Å; Y109-F321 HydrophobicContact CE2-CD2 3.93Å; Y109-F321 AromaticContact CE2-CG 3.96Å; Y109-F321 HydrophobicContact CE2-CG 3.96Å; W114-F321 HydrophobicContact CE3-CD2 4.36Å; W114-F321 AromaticContact CE3-CE2 3.98Å; W114-F321 HydrophobicContact CE3-CE2 3.98Å; W114-F321 HydrophobicContact CZ3-CD2 4.48Å; W114-F321 HydrophobicContact CZ3-CE2 4.01Å; R124-F321 HydrophobicContact CB-CE2 3.65Å; R124-F321 HydrophobicContact CB-CZ 3.53Å; I128-F321 HydrophobicContact CG2-CD1 4.09Å; I128-F321 HydrophobicContact CG2-CE1 3.64Å; I128-F321 HydrophobicContact CG2-CZ 4.1Å; L293-F321 WeakPolarHBondContact CD1-O 3.4Å; I314-F321 CarbonylContact O-C 3.59Å; I314-F321 WeakPolarHBondContact O-CA 3.39Å; I314-F321 WeakPolarHBondContact O-CD1 3.32Å; A315-F321 HydrophobicContact CB-CD1 4.02Å; A315-F321 HydrophobicContact CB-CE1 3.67Å; G319-F321 VanDerWaalsContact O-CE2 3.32Å; G319-F321 WeakPolarHBondContact O-CE2 3.25Å
322G97.1Very high97.8Very high1 Ų17.4 Ų7.41%0.015%0.049CC..EExtended strand (participates in β ladder)trans-142.5-179.6170.400000111G105 I314G105-G322 CarbonylContact O-C 3.53Å; G105-G322 VanDerWaalsContact O-CA 3.26Å; G105-G322 WeakPolarHBondContact O-CA 3.49Å; I314-G322 PolarHBondContact N-O 3.21Å; I314-G322 PolarHBondContact O-N 2.91Å
323S97.4Very high97.7Very high10 Ų1010.7 Ų10.77%0.077%0.065CC..EExtended strand (participates in β ladder)trans-146.2153172-58.30000110.7G104 G105 N312G104-S323 CarbonylContact C-O 3.58Å; G104-S323 WeakPolarHBondContact CA-O 3.3Å; G105-S323 PolarHBondContact N-O 3.27Å; G105-S323 PolarHBondContact O-N 3.29Å; N312-S323 VanDerWaalsContact O-CA 3.27Å; N312-S323 WeakPolarHBondContact O-CA 3.16Å
324T97.6Very high97.7Very high3 Ų310.7 Ų10.72%0.0186%0.064CC..EExtended strand (participates in β ladder)trans-137.4141.3165.5-176.50000109.2F103 G297 N312 I314F103-T324 WeakPolarHBondContact O-CA 3.43Å; G297-T324 WeakPolarHBondContact O-CB 3.22Å; N312-T324 HydrophobicContact CB-CG2 3.68Å; N312-T324 WeakPolarHBondContact CB-O 3.42Å; N312-T324 PolarHBondContact N-O 3.32Å; N312-T324 PolarHBondContact ND2-O 3.27Å; N312-T324 PolarHBondContact O-N 3.2Å; N312-T324 VanDerWaalsContact O-N 3.16Å; I314-T324 HydrophobicContact CD1-CG2 4.2Å
325C98.6Very high97.6Very high0 Ų011.3 Ų11.30%07%0.068CC..EExtended strand (participates in β ladder)trans-139.4135.9-170.9-63.20000110.4N102 F103 S310 H327 Y330N102-C325 WeakPolarHBondContact CA-O 3.48Å; N102-C325 WeakPolarHBondContact CB-O 3.44Å; N102-C325 VanDerWaalsContact CG-O 3.32Å; F103-C325 HydrophobicContact CD2-CB 3.9Å; F103-C325 HydrophobicContact CE1-CB 4.18Å; F103-C325 HydrophobicContact CE2-CB 3.33Å; F103-C325 HydrophobicContact CZ-CB 3.48Å; F103-C325 VanDerWaalsContact CZ-CB 3.48Å; F103-C325 PolarHBondContact N-O 2.89Å; F103-C325 PolarHBondContact O-N 3.38Å; S310-C325 WeakPolarHBondContact O-CA 3.49Å; S310-C325 WeakPolarHBondContact O-CB 3.17Å; S310-C325 PolarHBondContact O-SG 3.41Å; S310-C325 VanDerWaalsContact O-SG 3.38Å; C325-H327 PolarHBondContact O-N 3.49Å; C325-Y330 PolarHBondContact SG-OH 2.89Å; C325-Y330 VanDerWaalsContact SG-OH 3.4Å
326D98.8Very high97.5Very high0 Ų011.6 Ų11.60%07%0.069CC..  trans-58.8126.9164.1-177.217.6000109.9N102 K167 K309 A328 P329N102-D326 WeakPolarHBondContact OD1-CA 3.43Å; K167-D326 VanDerWaalsContact CB-OD2 3.29Å; K167-D326 WeakPolarHBondContact CB-OD2 3.09Å; K167-D326 WeakPolarHBondContact CD-OD2 3.49Å; K167-D326 WeakPolarHBondContact CE-OD2 3.39Å; K167-D326 VanDerWaalsContact NZ-CG 3.3Å; K167-D326 IonicContact NZ-OD1 3.45Å; K167-D326 PolarHBondContact NZ-OD1 3.4Å; K167-D326 IonicContact NZ-OD2 2.71Å; K167-D326 PolarHBondContact NZ-OD2 3.21Å; K309-D326 PolarHBondContact O-N 2.87Å; D326-A328 WeakPolarHBondContact OD1-CB 3.14Å; D326-A328 PolarHBondContact OD1-N 3.27Å; D326-P329 WeakPolarHBondContact O-CD 3.2Å; D326-P329 WeakPolarHBondContact OD2-CD 3.5Å
327H98.6Very high97.5Very high41 Ų4112.8 Ų12.819%0.198%0.078CC..SBendtrans-84.1-14.9-179.6-163.92.3000113Y90 V101 F103 C325 Y330 D331 R451Y90-H327 HydrophobicContact CD1-CB 4.47Å; Y90-H327 HydrophobicContact CE1-CB 4.03Å; Y90-H327 AromaticContact CE1-CD2 3.89Å; Y90-H327 AromaticContact CE1-CG 3.77Å; V101-H327 HydrophobicContact CG1-CB 4.14Å; V101-H327 WeakPolarHBondContact O-CB 3.48Å; F103-H327 HydrophobicContact CD1-CB 3.76Å; F103-H327 AromaticContact CD1-CG 3.61Å; F103-H327 AromaticContact CD1-ND1 3.8Å; F103-H327 HydrophobicContact CE1-CB 3.96Å; F103-H327 AromaticContact CE1-CG 3.83Å; F103-H327 AromaticContact CE1-ND1 3.62Å; C325-H327 PolarHBondContact O-N 3.49Å; H327-Y330 PolarHBondContact ND1-O 3.1Å; H327-D331 IonicContact CE1-OD1 2.72Å; H327-R451 PolarHBondContact O-NH2 3.29Å
328A98.7Very high97.5Very high0 Ų011.6 Ų11.60%07%0.068CC..SBendtrans-57.5-51.2-178.400000113.1L86 Y90 L91 K167 I176 D326 R451L86-A328 HydrophobicContact CD1-CB 4.29Å; L86-A328 WeakPolarHBondContact CD1-O 3.44Å; Y90-A328 HydrophobicContact CD1-CB 4.38Å; Y90-A328 HydrophobicContact CG-CB 3.98Å; L91-A328 HydrophobicContact CD2-CB 3.98Å; K167-A328 HydrophobicContact CD-CB 4.4Å; I176-A328 HydrophobicContact CD1-CB 3.95Å; D326-A328 WeakPolarHBondContact OD1-CB 3.14Å; D326-A328 PolarHBondContact OD1-N 3.27Å; A328-R451 PolarHBondContact O-NH1 3.04Å
329P98.6Very high97.6Very high14 Ų1411.9 Ų11.99%0.0917%0.07CC..SBendtrans-82.2-20.4-171.834.7-39.5000114.4M161 T165 I176 D326M161-P329 HydrophobicContact CB-CB 3.95Å; M161-P329 HydrophobicContact CG-CB 4.18Å; T165-P329 HydrophobicContact CG2-CB 4.12Å; T165-P329 HydrophobicContact CG2-CG 4.25Å; I176-P329 HydrophobicContact CD1-CB 4.22Å; I176-P329 HydrophobicContact CD1-CG 4.44Å; I176-P329 HydrophobicContact CG1-CB 4.29Å; I176-P329 HydrophobicContact CG2-CB 4.02Å; D326-P329 WeakPolarHBondContact O-CD 3.2Å; D326-P329 WeakPolarHBondContact OD2-CD 3.5Å
330Y98.6Very high97.7Very high0 Ų016.3 Ų16.30%09%0.087CC..  trans-157.8167.5-179.466.1-100000114.1F103 M161 S310 C325 H327 V334 L335 R451F103-Y330 HydrophobicContact CE1-CE2 4.47Å; F103-Y330 HydrophobicContact CE2-CE2 4.28Å; F103-Y330 HydrophobicContact CZ-CD2 4.01Å; F103-Y330 AromaticContact CZ-CE2 3.52Å; F103-Y330 HydrophobicContact CZ-CE2 3.52Å; M161-Y330 HydrophobicContact CB-CD1 3.64Å; M161-Y330 HydrophobicContact CB-CE1 4.5Å; M161-Y330 HydrophobicContact CB-CG 4.38Å; M161-Y330 WeakPolarHBondContact O-CE1 3.25Å; S310-Y330 PolarHBondContact O-OH 3.37Å; C325-Y330 PolarHBondContact SG-OH 2.89Å; C325-Y330 VanDerWaalsContact SG-OH 3.4Å; H327-Y330 PolarHBondContact ND1-O 3.1Å; Y330-V334 HydrophobicContact CD2-CB 3.7Å; Y330-V334 HydrophobicContact CD2-CG1 4.36Å; Y330-V334 HydrophobicContact CD2-CG2 4Å; Y330-V334 HydrophobicContact CE2-CB 3.96Å; Y330-V334 HydrophobicContact CE2-CG1 4.4Å; Y330-V334 HydrophobicContact CG-CB 4.33Å; Y330-V334 HydrophobicContact CG-CG2 4.3Å; Y330-L335 HydrophobicContact CE2-CB 4.45Å; Y330-R451 PolarHBondContact O-NH2 3.38Å
331D98.4Very high97.7Very high13 Ų1318.2 Ų18.27%0.079%0.094CC..  trans-95.5152.4176.8-52.3-45.1000111.8Q158 H327 M333 V334 R451Q158-D331 PolarHBondContact NE2-OD2 3.39Å; Q158-D331 PolarHBondContact OE1-OD2 3.39Å; H327-D331 IonicContact CE1-OD1 2.72Å; D331-M333 PolarHBondContact O-N 3.45Å; D331-V334 PolarHBondContact O-N 3.2Å; D331-V334 VanDerWaalsContact O-N 3.14Å; D331-R451 IonicContact OD1-CZ 3.98Å; D331-R451 VanDerWaalsContact OD1-CZ 3.27Å; D331-R451 IonicContact OD1-NE 2.86Å; D331-R451 PolarHBondContact OD1-NE 3.09Å; D331-R451 IonicContact OD1-NH2 3.84Å; D331-R451 PolarHBondContact OD1-NH2 3.48Å; D331-R451 WeakPolarHBondContact OD2-CB 3.18Å; D331-R451 IonicContact OD2-NE 3.5Å
332A96.9Very high97.7Very high34 Ų3418 Ų1828%0.2819%0.093SC..THydrogen-bonded Turntrans-49-26-171.700000115.9F103 V334 L335 V336F103-A332 HydrophobicContact CD2-CB 4.28Å; F103-A332 HydrophobicContact CE2-CB 4.21Å; F103-A332 HydrophobicContact CG-CB 4.49Å; F103-A332 HydrophobicContact CZ-CB 4.39Å; A332-V334 PolarHBondContact O-N 2.96Å; A332-L335 PolarHBondContact O-N 3.32Å; A332-L335 VanDerWaalsContact O-N 3.09Å; A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 3.42Å
333M96.4Very high97.7Very high69 Ų6917.9 Ų17.934%0.349%0.092SC..Hα-helixtrans-59.6-26.1-179.2-68.9-51.5-52.100114.6D331 V336 S337D331-M333 PolarHBondContact O-N 3.45Å; M333-V336 HydrophobicContact CE-CB 4.24Å; M333-V336 HydrophobicContact CE-CG1 4Å; M333-V336 HydrophobicContact SD-CB 4.48Å; M333-V336 HydrophobicContact SD-CG2 4.48Å; M333-S337 WeakPolarHBondContact O-CB 3.35Å; M333-S337 PolarHBondContact O-N 3.43Å
334V97.9Very high97.7Very high3 Ų320.9 Ų20.92%0.01811%0.105CC..Hα-helixtrans-66-49.8173.5179.70000110.2Q158 F159 L162 Y330 D331 A332 V336 S337 M338Q158-V334 HydrophobicContact CB-CG2 3.59Å; F159-V334 HydrophobicContact CD1-CG1 4.03Å; F159-V334 HydrophobicContact CD2-CG2 4.4Å; F159-V334 HydrophobicContact CE1-CG1 4.27Å; F159-V334 HydrophobicContact CE2-CG2 4.39Å; F159-V334 HydrophobicContact CG-CG1 4.34Å; L162-V334 HydrophobicContact CB-CG1 3.86Å; L162-V334 HydrophobicContact CD1-CG1 4.25Å; L162-V334 HydrophobicContact CD2-CG1 4.15Å; L162-V334 HydrophobicContact CG-CG1 4.32Å; Y330-V334 HydrophobicContact CD2-CB 3.7Å; Y330-V334 HydrophobicContact CD2-CG1 4.36Å; Y330-V334 HydrophobicContact CD2-CG2 4Å; Y330-V334 HydrophobicContact CE2-CB 3.96Å; Y330-V334 HydrophobicContact CE2-CG1 4.4Å; Y330-V334 HydrophobicContact CG-CB 4.33Å; Y330-V334 HydrophobicContact CG-CG2 4.3Å; D331-V334 PolarHBondContact O-N 3.2Å; D331-V334 VanDerWaalsContact O-N 3.14Å; A332-V334 PolarHBondContact O-N 2.96Å; V334-V336 PolarHBondContact O-N 3.01Å; V334-S337 WeakPolarHBondContact O-CB 3.22Å; V334-S337 PolarHBondContact O-N 3.48Å; V334-M338 PolarHBondContact O-N 2.95Å; V334-M338 VanDerWaalsContact O-N 3.12Å
335L97Very high97.7Very high14 Ų1423.3 Ų23.37%0.07312%0.116CC..Hα-helixtrans-62.1-43.7175.7-177.371.5000111F103 Y311 Y330 A332 S337 M338 C339F103-L335 HydrophobicContact CD2-CD2 4.27Å; F103-L335 HydrophobicContact CE2-CB 4.14Å; F103-L335 HydrophobicContact CE2-CD2 3.86Å; Y311-L335 HydrophobicContact CD2-CD1 3.76Å; Y311-L335 HydrophobicContact CE2-CD1 3.67Å; Y330-L335 HydrophobicContact CE2-CB 4.45Å; A332-L335 PolarHBondContact O-N 3.32Å; A332-L335 VanDerWaalsContact O-N 3.09Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.78Å; L335-M338 HydrophobicContact CD1-CE 3.71Å; L335-M338 PolarHBondContact O-N 3Å; L335-C339 WeakPolarHBondContact O-CB 3.41Å; L335-C339 PolarHBondContact O-N 2.8Å; L335-C339 PolarHBondContact O-SG 2.65Å
336V97.4Very high97.6Very high6 Ų623.3 Ų23.34%0.03612%0.116CC..Hα-helixtrans-57.1-41.7176.5171.50000111.3A332 M333 V334 W340 V546 I551A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 3.42Å; M333-V336 HydrophobicContact CE-CB 4.24Å; M333-V336 HydrophobicContact CE-CG1 4Å; M333-V336 HydrophobicContact SD-CB 4.48Å; M333-V336 HydrophobicContact SD-CG2 4.48Å; V334-V336 PolarHBondContact O-N 3.01Å; V336-W340 WeakPolarHBondContact O-CB 3.38Å; V336-W340 PolarHBondContact O-N 2.99Å; V336-V546 HydrophobicContact CG2-CG1 3.54Å; V336-I551 HydrophobicContact CB-CB 4.44Å; V336-I551 HydrophobicContact CB-CG2 4.49Å; V336-I551 HydrophobicContact CG1-CB 4.13Å; V336-I551 HydrophobicContact CG1-CG1 4.13Å; V336-I551 HydrophobicContact CG2-CB 4.19Å; V336-I551 HydrophobicContact CG2-CG2 3.99Å
337S97.4Very high97.4Very high25 Ų2527 Ų2718%0.17513%0.13CC..Hα-helixtrans-65.3-44178.6-171.30000112.2Y135 Q147 M333 V334 L335 Y341Y135-S337 PolarHBondContact OH-OG 3.35Å; Q147-S337 PolarHBondContact NE2-OG 3.18Å; M333-S337 WeakPolarHBondContact O-CB 3.35Å; M333-S337 PolarHBondContact O-N 3.43Å; V334-S337 WeakPolarHBondContact O-CB 3.22Å; V334-S337 PolarHBondContact O-N 3.48Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.78Å; S337-Y341 PolarHBondContact O-N 2.84Å; S337-Y341 VanDerWaalsContact O-N 3.14Å
338M97.9Very high97.3Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-66.4-54.1177.2-179.7-166.873.900110.5T132 Y135 L162 Y163 Y311 V334 L335 W340 Y341 L342T132-M338 HydrophobicContact CG2-SD 4.02Å; Y135-M338 HydrophobicContact CD1-CB 3.95Å; Y135-M338 HydrophobicContact CD1-CG 3.67Å; Y135-M338 HydrophobicContact CD1-SD 4.48Å; Y135-M338 HydrophobicContact CE1-CB 3.76Å; Y135-M338 HydrophobicContact CE1-CG 4.04Å; Y135-M338 HydrophobicContact CG-CB 4.45Å; Y135-M338 HydrophobicContact CG-CG 3.96Å; L162-M338 HydrophobicContact CD1-SD 4.13Å; L162-M338 HydrophobicContact CD2-CB 4Å; L162-M338 HydrophobicContact CD2-CG 4.25Å; L162-M338 HydrophobicContact CD2-SD 3.78Å; L162-M338 HydrophobicContact CG-SD 4.29Å; Y163-M338 PolarHBondContact OH-SD 3.2Å; Y311-M338 HydrophobicContact CD1-CE 4.14Å; Y311-M338 HydrophobicContact CD1-SD 4.43Å; Y311-M338 HydrophobicContact CD2-CE 4.34Å; Y311-M338 HydrophobicContact CE1-CE 3.51Å; Y311-M338 HydrophobicContact CE1-SD 4.04Å; Y311-M338 HydrophobicContact CE2-CE 3.74Å; Y311-M338 WeakPolarHBondContact OH-CE 3.39Å; V334-M338 PolarHBondContact O-N 2.95Å; V334-M338 VanDerWaalsContact O-N 3.12Å; L335-M338 HydrophobicContact CD1-CE 3.71Å; L335-M338 PolarHBondContact O-N 3Å; M338-W340 PolarHBondContact O-N 3.03Å; M338-Y341 WeakPolarHBondContact O-CA 3.33Å; M338-Y341 VanDerWaalsContact O-CB 3.32Å; M338-Y341 WeakPolarHBondContact O-CB 3.33Å; M338-Y341 PolarHBondContact O-N 3.48Å; M338-L342 HydrophobicContact CE-CD1 4.26Å; M338-L342 HydrophobicContact CG-CD1 4.33Å; M338-L342 HydrophobicContact CG-CG 4.38Å; M338-L342 WeakPolarHBondContact O-CG 3.49Å; M338-L342 PolarHBondContact O-N 3.27Å
339C97.3Very high97.3Very high7 Ų729.8 Ų29.85%0.04716%0.157CC..Hα-helixtrans-59.9-33.8-178.7-69.20000112.1L335 L342 D343 I551L335-C339 WeakPolarHBondContact O-CB 3.41Å; L335-C339 PolarHBondContact O-N 2.8Å; L335-C339 PolarHBondContact O-SG 2.65Å; C339-L342 PolarHBondContact O-N 3.42Å; C339-D343 WeakPolarHBondContact O-CB 3.14Å; C339-D343 PolarHBondContact O-N 3.32Å; C339-I551 HydrophobicContact CB-CD1 3.45Å; C339-I551 VanDerWaalsContact CB-CD1 3.45Å; C339-I551 HydrophobicContact CB-CG1 3.82Å; C339-I551 HydrophobicContact CB-CG2 4.19Å
340W97.1Very high97.2Very high93 Ų9334 Ų3435%0.35218%0.176SC..Hα-helixtrans-65.9-44173176.8-118.6000111.9V336 M338 L342 D343 Q344 T549 T550 I551V336-W340 WeakPolarHBondContact O-CB 3.38Å; V336-W340 PolarHBondContact O-N 2.99Å; M338-W340 PolarHBondContact O-N 3.03Å; W340-L342 VanDerWaalsContact C-N 3.3Å; W340-L342 PolarHBondContact O-N 2.86Å; W340-D343 HydrophobicContact CE3-CB 4.18Å; W340-D343 WeakPolarHBondContact CZ3-OD2 3.31Å; W340-D343 WeakPolarHBondContact O-CB 3.47Å; W340-D343 PolarHBondContact O-N 3.31Å; W340-Q344 HydrophobicContact CD2-CG 4.18Å; W340-Q344 HydrophobicContact CH2-CG 4.44Å; W340-Q344 VanDerWaalsContact CZ2-CD 3.47Å; W340-Q344 HydrophobicContact CZ2-CG 3.98Å; W340-Q344 WeakPolarHBondContact O-CG 3.45Å; W340-Q344 PolarHBondContact O-N 3.46Å; W340-T549 HydrophobicContact CB-CG2 4.01Å; W340-T549 HydrophobicContact CD2-CG2 3.66Å; W340-T549 HydrophobicContact CE3-CG2 4.1Å; W340-T549 HydrophobicContact CG-CG2 3.62Å; W340-T550 HydrophobicContact CZ3-CG2 3.98Å; W340-T550 WeakPolarHBondContact CZ3-OG1 3.45Å; W340-I551 HydrophobicContact CB-CG1 4.35Å
341Y97.5Very high97Very high44 Ų4434.4 Ų34.417%0.17318%0.179CC..Hα-helixtrans-56.5-46.9172.4167-92.5000111.1Y135 L138 S337 M338 D343 Q344 Q345Y135-Y341 AromaticContact CD2-CD1 3.51Å; Y135-Y341 HydrophobicContact CD2-CD1 3.51Å; Y135-Y341 HydrophobicContact CD2-CD2 4.22Å; Y135-Y341 HydrophobicContact CD2-CE1 4.11Å; Y135-Y341 AromaticContact CD2-CG 3.58Å; Y135-Y341 HydrophobicContact CD2-CG 3.58Å; Y135-Y341 HydrophobicContact CE2-CD1 4.44Å; Y135-Y341 HydrophobicContact CE2-CG 4.12Å; Y135-Y341 HydrophobicContact CG-CD1 4.14Å; L138-Y341 HydrophobicContact CD1-CD2 4.48Å; L138-Y341 HydrophobicContact CD1-CE2 3.8Å; S337-Y341 PolarHBondContact O-N 2.84Å; S337-Y341 VanDerWaalsContact O-N 3.14Å; M338-Y341 WeakPolarHBondContact O-CA 3.33Å; M338-Y341 VanDerWaalsContact O-CB 3.32Å; M338-Y341 WeakPolarHBondContact O-CB 3.33Å; M338-Y341 PolarHBondContact O-N 3.48Å; Y341-D343 PolarHBondContact O-N 2.91Å; Y341-Q344 PolarHBondContact O-N 3.26Å; Y341-Q345 HydrophobicContact CD1-CG 4.18Å; Y341-Q345 HydrophobicContact CD2-CG 4.43Å; Y341-Q345 HydrophobicContact CE1-CG 3.7Å; Y341-Q345 HydrophobicContact CE2-CG 3.97Å; Y341-Q345 WeakPolarHBondContact O-CG 3.42Å; Y341-Q345 PolarHBondContact O-N 3Å
342L97.3Very high96.9Very high0 Ų039.6 Ų39.60%020%0.203CC..Hα-helixtrans-58.7-47.1177.1-59.4-179.1000111.5Y109 I128 H131 M338 C339 W340 Q344 Q345 I346Y109-L342 HydrophobicContact CE1-CB 4.46Å; I128-L342 HydrophobicContact CD1-CB 3.84Å; I128-L342 HydrophobicContact CD1-CD1 4.08Å; I128-L342 HydrophobicContact CD1-CD2 4.41Å; I128-L342 HydrophobicContact CD1-CG 4.32Å; I128-L342 HydrophobicContact CG1-CD1 4.22Å; H131-L342 HydrophobicContact CB-CD2 3.47Å; H131-L342 VanDerWaalsContact CB-CD2 3.47Å; H131-L342 WeakPolarHBondContact O-CD2 3.24Å; M338-L342 HydrophobicContact CE-CD1 4.26Å; M338-L342 HydrophobicContact CG-CD1 4.33Å; M338-L342 HydrophobicContact CG-CG 4.38Å; M338-L342 WeakPolarHBondContact O-CG 3.49Å; M338-L342 PolarHBondContact O-N 3.27Å; C339-L342 PolarHBondContact O-N 3.42Å; W340-L342 VanDerWaalsContact C-N 3.3Å; W340-L342 PolarHBondContact O-N 2.86Å; L342-Q344 VanDerWaalsContact C-N 3.27Å; L342-Q344 PolarHBondContact O-N 3.46Å; L342-Q345 PolarHBondContact O-N 2.92Å; L342-Q345 VanDerWaalsContact O-N 3.1Å; L342-I346 WeakPolarHBondContact O-CG1 3.26Å; L342-I346 PolarHBondContact O-N 3.46Å
343D96.7Very high97Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-55.3-43.2176.1-167.354.7000111.9P108 H112 C339 W340 Y341 I346 R347 T550P108-D343 HydrophobicContact CB-CB 4.3Å; P108-D343 HydrophobicContact CG-CB 3.78Å; H112-D343 IonicContact CD2-OD1 3.93Å; H112-D343 IonicContact CE1-OD1 3.98Å; H112-D343 PolarHBondContact CE1-OD1 3.43Å; H112-D343 IonicContact NE2-OD1 3.74Å; H112-D343 PolarHBondContact NE2-OD1 3.34Å; C339-D343 WeakPolarHBondContact O-CB 3.14Å; C339-D343 PolarHBondContact O-N 3.32Å; W340-D343 HydrophobicContact CE3-CB 4.18Å; W340-D343 WeakPolarHBondContact CZ3-OD2 3.31Å; W340-D343 WeakPolarHBondContact O-CB 3.47Å; W340-D343 PolarHBondContact O-N 3.31Å; Y341-D343 PolarHBondContact O-N 2.91Å; D343-I346 PolarHBondContact O-N 3Å; D343-R347 VanDerWaalsContact O-CG 3.26Å; D343-R347 WeakPolarHBondContact O-CG 3.41Å; D343-R347 PolarHBondContact O-N 2.92Å; D343-R347 IonicContact OD1-NE 2.64Å; D343-R347 IonicContact OD2-CZ 2.99Å; D343-R347 IonicContact OD2-NE 2.87Å; D343-R347 PolarHBondContact OD2-NE 3.34Å; D343-R347 IonicContact OD2-NH2 3.33Å; D343-T550 PolarHBondContact OD2-OG1 3.44Å
344Q96.8Very high97Very high73 Ų7344 Ų4434%0.34121%0.212SC..Hα-helixtrans-67.3-38.6177.2-64.5-49.9-83.200112.5W340 Y341 L342 R347 A348W340-Q344 HydrophobicContact CD2-CG 4.18Å; W340-Q344 HydrophobicContact CH2-CG 4.44Å; W340-Q344 VanDerWaalsContact CZ2-CD 3.47Å; W340-Q344 HydrophobicContact CZ2-CG 3.98Å; W340-Q344 WeakPolarHBondContact O-CG 3.45Å; W340-Q344 PolarHBondContact O-N 3.46Å; Y341-Q344 PolarHBondContact O-N 3.26Å; L342-Q344 VanDerWaalsContact C-N 3.27Å; L342-Q344 PolarHBondContact O-N 3.46Å; Q344-R347 PolarHBondContact O-N 3.46Å; Q344-A348 WeakPolarHBondContact O-CB 3.35Å; Q344-A348 PolarHBondContact O-N 2.96Å
345Q97.1Very high96.9Very high54 Ų5445.7 Ų45.725%0.25223%0.23SC..Hα-helixtrans-64.8-46175.7-65.7-50.1-56.100111.4H131 Y341 L342 R347 A348 T349H131-Q345 HydrophobicContact CB-CB 4.4Å; Y341-Q345 HydrophobicContact CD1-CG 4.18Å; Y341-Q345 HydrophobicContact CD2-CG 4.43Å; Y341-Q345 HydrophobicContact CE1-CG 3.7Å; Y341-Q345 HydrophobicContact CE2-CG 3.97Å; Y341-Q345 WeakPolarHBondContact O-CG 3.42Å; Y341-Q345 PolarHBondContact O-N 3Å; L342-Q345 PolarHBondContact O-N 2.92Å; L342-Q345 VanDerWaalsContact O-N 3.1Å; Q345-R347 VanDerWaalsContact C-N 3.28Å; Q345-R347 PolarHBondContact O-N 2.81Å; Q345-A348 PolarHBondContact O-N 3.13Å; Q345-A348 VanDerWaalsContact O-N 3.12Å; Q345-T349 WeakPolarHBondContact O-CG2 3.46Å; Q345-T349 PolarHBondContact O-N 3.14Å; Q345-T349 PolarHBondContact O-OG1 3Å; Q345-T349 VanDerWaalsContact O-OG1 3.05Å
346I96.8Very high96.9Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-59-40.6176-65.3-46.4000111.2Y109 F113 W114 I127 I128 L342 D343 T349 E350 G351Y109-I346 HydrophobicContact CD1-CG1 4.39Å; Y109-I346 HydrophobicContact CE1-CG1 4.35Å; F113-I346 HydrophobicContact CB-CG2 4.39Å; W114-I346 HydrophobicContact CD2-CG2 4.12Å; W114-I346 HydrophobicContact CE3-CD1 4.49Å; W114-I346 HydrophobicContact CE3-CG1 4.34Å; W114-I346 HydrophobicContact CE3-CG2 4.3Å; W114-I346 HydrophobicContact CH2-CD1 3.2Å; W114-I346 HydrophobicContact CH2-CG1 3.86Å; W114-I346 HydrophobicContact CZ2-CD1 3.52Å; W114-I346 HydrophobicContact CZ2-CG1 4.32Å; W114-I346 HydrophobicContact CZ3-CD1 3.75Å; W114-I346 HydrophobicContact CZ3-CG1 3.85Å; I127-I346 HydrophobicContact CG2-CD1 3.78Å; I128-I346 HydrophobicContact CD1-CD1 4.11Å; I128-I346 HydrophobicContact CD1-CG1 3.98Å; L342-I346 WeakPolarHBondContact O-CG1 3.26Å; L342-I346 PolarHBondContact O-N 3.46Å; D343-I346 PolarHBondContact O-N 3Å; I346-T349 PolarHBondContact O-N 3.16Å; I346-T349 PolarHBondContact O-OG1 3.19Å; I346-E350 CarbonylContact O-C 3.52Å; I346-E350 PolarHBondContact O-N 3.16Å; I346-G351 PolarHBondContact O-N 3.27Å
347R96.1Very high96.8Very high78 Ų7854.8 Ų54.829%0.29429%0.285SS..Hα-helixtrans-64.3-44174.7-71.5169.2-175.3-75.7-1.6112.5H112 F113 D343 Q344 Q345 T349 E350H112-R347 VanDerWaalsContact CD2-CZ 3.41Å; H112-R347 PolarHBondContact CD2-NH2 3.49Å; F113-R347 HydrophobicContact CD2-CG 4.43Å; F113-R347 HydrophobicContact CE2-CB 4.29Å; F113-R347 HydrophobicContact CE2-CG 4.31Å; D343-R347 VanDerWaalsContact O-CG 3.26Å; D343-R347 WeakPolarHBondContact O-CG 3.41Å; D343-R347 PolarHBondContact O-N 2.92Å; D343-R347 IonicContact OD1-NE 2.64Å; D343-R347 IonicContact OD2-CZ 2.99Å; D343-R347 IonicContact OD2-NE 2.87Å; D343-R347 PolarHBondContact OD2-NE 3.34Å; D343-R347 IonicContact OD2-NH2 3.33Å; Q344-R347 PolarHBondContact O-N 3.46Å; Q345-R347 VanDerWaalsContact C-N 3.28Å; Q345-R347 PolarHBondContact O-N 2.81Å; R347-T349 VanDerWaalsContact C-N 3.26Å; R347-T349 PolarHBondContact O-N 3.08Å; R347-E350 PolarHBondContact O-N 3.47Å
348A96.5Very high96.8Very high72 Ų7260.9 Ų60.960%0.59531%0.308SS*.Hα-helixtrans-66-30.3-179.600000112.7Q344 Q345Q344-A348 WeakPolarHBondContact O-CB 3.35Å; Q344-A348 PolarHBondContact O-N 2.96Å; Q345-A348 PolarHBondContact O-N 3.13Å; Q345-A348 VanDerWaalsContact O-N 3.12Å
349T96.8Very high96.7Very high26 Ų2663.8 Ų63.816%0.1633%0.326CS..THydrogen-bonded Turntrans-97.43.517963.40000113.5Q345 I346 R347 G351 Q352 K354Q345-T349 WeakPolarHBondContact O-CG2 3.46Å; Q345-T349 PolarHBondContact O-N 3.14Å; Q345-T349 PolarHBondContact O-OG1 3Å; Q345-T349 VanDerWaalsContact O-OG1 3.05Å; I346-T349 PolarHBondContact O-N 3.16Å; I346-T349 PolarHBondContact O-OG1 3.19Å; R347-T349 VanDerWaalsContact C-N 3.26Å; R347-T349 PolarHBondContact O-N 3.08Å; T349-G351 PolarHBondContact O-N 3.41Å; T349-Q352 VanDerWaalsContact CB-O 3.31Å; T349-Q352 WeakPolarHBondContact CB-O 3.41Å; T349-Q352 PolarHBondContact O-N 2.81Å; T349-Q352 VanDerWaalsContact O-N 3.09Å; T349-K354 VanDerWaalsContact O-CE 3.3Å; T349-K354 WeakPolarHBondContact O-CE 3.25Å
350E96.5Very high96.7Very high104 Ų10465.8 Ų65.849%0.48633%0.333SS..THydrogen-bonded Turntrans54.331.3-174.7-60161.5-10900112.5F113 I346 R347 Q352 K354F113-E350 HydrophobicContact CD1-CB 3.93Å; F113-E350 WeakPolarHBondContact CD1-O 2.88Å; F113-E350 HydrophobicContact CE1-CB 3.63Å; F113-E350 HydrophobicContact CE1-CG 3.79Å; F113-E350 HydrophobicContact CZ-CB 4.08Å; F113-E350 HydrophobicContact CZ-CG 3.88Å; I346-E350 CarbonylContact O-C 3.52Å; I346-E350 PolarHBondContact O-N 3.16Å; R347-E350 PolarHBondContact O-N 3.47Å; E350-Q352 VanDerWaalsContact C-N 3.29Å; E350-Q352 PolarHBondContact O-N 3.1Å; E350-K354 IonicContact OE1-NZ 3.99Å; E350-K354 PolarHBondContact OE1-NZ 2.59Å
351G95.8Very high96.6Very high7 Ų770.3 Ų70.37%0.07236%0.358CS..THydrogen-bonded Turntrans70.418.1-178.600000115.2W114 I346 T349W114-G351 PolarHBondContact NE1-O 2.69Å; I346-G351 PolarHBondContact O-N 3.27Å; T349-G351 PolarHBondContact O-N 3.41Å
352Q96.6Very high96.6Very high123 Ų12368.9 Ų68.958%0.57535%0.353SS*.SBendtrans-122.6153.8-176.2-62.8-177.62.600112.7T349 E350T349-Q352 VanDerWaalsContact CB-O 3.31Å; T349-Q352 WeakPolarHBondContact CB-O 3.41Å; T349-Q352 PolarHBondContact O-N 2.81Å; T349-Q352 VanDerWaalsContact O-N 3.09Å; E350-Q352 VanDerWaalsContact C-N 3.29Å; E350-Q352 PolarHBondContact O-N 3.1Å
353W97.5Very high96.6Very high73 Ų7373.3 Ų73.328%0.27738%0.382SS..  trans-78.1125.8165.6173-119.9000109.6I127 W130 P214 G355 S356I127-W353 HydrophobicContact CG1-CB 4.43Å; W130-W353 HydrophobicContact CZ2-CH2 4.32Å; W130-W353 HydrophobicContact CZ2-CZ3 4.26Å; W130-W353 AromaticContact NE1-CZ3 3.94Å; P214-W353 HydrophobicContact CB-CB 4.29Å; P214-W353 HydrophobicContact CB-CD2 4.19Å; P214-W353 HydrophobicContact CB-CE3 4.41Å; P214-W353 HydrophobicContact CB-CG 4.17Å; P214-W353 HydrophobicContact CG-CB 4.41Å; P214-W353 HydrophobicContact CG-CD2 3.66Å; P214-W353 HydrophobicContact CG-CE3 3.43Å; P214-W353 VanDerWaalsContact CG-CE3 3.43Å; P214-W353 HydrophobicContact CG-CG 4.12Å; P214-W353 HydrophobicContact CG-CH2 4.45Å; P214-W353 HydrophobicContact CG-CZ3 3.86Å; W353-G355 VanDerWaalsContact CE2-C 3.49Å; W353-G355 VanDerWaalsContact NE1-C 3.33Å; W353-G355 PolarHBondContact NE1-O 3.17Å; W353-S356 PolarHBondContact NE1-O 3.4Å
354K96.3Very high96.7Very high123 Ų12378 Ų7854%0.53541%0.406SS..  trans-113.38.8-179.8-63.1-176.2175.4178.70113.1T349 E350T349-K354 VanDerWaalsContact O-CE 3.3Å; T349-K354 WeakPolarHBondContact O-CE 3.25Å; E350-K354 IonicContact OE1-NZ 3.99Å; E350-K354 PolarHBondContact OE1-NZ 2.59Å
355G96.3Very high96.8Very high38 Ų3875 Ų7539%0.39239%0.393SS..SBendtrans-96.9-161.5179.600000112.8W353W353-G355 VanDerWaalsContact CE2-C 3.49Å; W353-G355 VanDerWaalsContact NE1-C 3.33Å; W353-G355 PolarHBondContact NE1-O 3.17Å
356S96.6Very high96.9Very high81 Ų8178.3 Ų78.357%0.56641%0.408SS*.  trans-72.1140.4-180-1760000112.2W353 K358W353-S356 PolarHBondContact NE1-O 3.4Å; S356-K358 PolarHBondContact O-N 2.98Å; S356-K358 WeakPolarHBondContact OG-CB 3.33Å; S356-K358 PolarHBondContact OG-N 3.32Å
357D96.3Very high97Very high129 Ų12980.3 Ų80.369%0.6942%0.418SS*.  trans-83.24.2171.8-62.6-42.1000113.6V359D357-V359 PolarHBondContact O-N 2.77Å
358K96.4Very high97.1Very high153 Ų15377.3 Ų77.367%0.66541%0.407SS*.  trans-64.8127.8178.6-174.5-179.9178.9-177.50110.1S356S356-K358 PolarHBondContact O-N 2.98Å; S356-K358 WeakPolarHBondContact OG-CB 3.33Å; S356-K358 PolarHBondContact OG-N 3.32Å
359V97.1Very high97.1Very high61 Ų6179.1 Ų79.137%0.3741%0.406SS..  trans-107.2116174.1179.70000108.8P215 E216 D357P215-V359 HydrophobicContact CB-CG2 3.74Å; E216-V359 HydrophobicContact CG-CB 4.35Å; E216-V359 HydrophobicContact CG-CG1 4Å; D357-V359 PolarHBondContact O-N 2.77Å
360R97.1Very high97.2Very high50 Ų5079.1 Ų79.119%0.18940%0.404CS..  trans-69.5157.9175-66.9170-74.2174.3-2110.8F207 I211 E216 I362F207-R360 HydrophobicContact CD1-CB 4.31Å; F207-R360 HydrophobicContact CE1-CB 4.32Å; F207-R360 PolarHBondContact O-NH1 2.88Å; I211-R360 PolarHBondContact O-NH2 3.42Å; E216-R360 WeakPolarHBondContact OE1-CB 3.31Å; E216-R360 WeakPolarHBondContact OE1-CG 3.42Å; E216-R360 IonicContact OE1-CZ 3.17Å; E216-R360 PolarHBondContact OE1-N 2.73Å; E216-R360 IonicContact OE1-NE 3.89Å; E216-R360 PolarHBondContact OE1-NE 2.73Å; E216-R360 IonicContact OE1-NH2 2.92Å; E216-R360 IonicContact OE2-CZ 3.87Å; E216-R360 IonicContact OE2-NE 3.78Å; E216-R360 PolarHBondContact OE2-NE 2.94Å; E216-R360 IonicContact OE2-NH2 2.67Å; E216-R360 PolarHBondContact OE2-NH2 3.09Å; R360-I362 HydrophobicContact CB-CG2 3.83Å; R360-I362 PolarHBondContact O-N 3Å
361Q95.4Very high97.3Very high188 Ų18876.9 Ų76.988%0.87940%0.398SS*.  trans-75.780.8171.7-69.7-170.6-3.300109.9F207F207-Q361 WeakPolarHBondContact CZ-O 3.45Å
362I96.9Very high97.4Very high13 Ų1378.1 Ų78.17%0.06740%0.403CS..PPolyproline II helixtrans-97.7155.5178.865.8-175000110.3F207 L212 E216 R219 Q220 R360F207-I362 HydrophobicContact CB-CG2 3.76Å; F207-I362 HydrophobicContact CD1-CG2 3.7Å; F207-I362 HydrophobicContact CD2-CB 3.98Å; F207-I362 HydrophobicContact CD2-CG2 3.55Å; F207-I362 HydrophobicContact CE1-CG2 4.13Å; F207-I362 HydrophobicContact CE2-CB 4.31Å; F207-I362 HydrophobicContact CE2-CG2 3.99Å; F207-I362 HydrophobicContact CG-CB 4.28Å; F207-I362 HydrophobicContact CG-CG2 3.37Å; F207-I362 HydrophobicContact CZ-CG2 4.26Å; L212-I362 HydrophobicContact CD1-CD1 3.9Å; L212-I362 HydrophobicContact CD2-CD1 3.66Å; L212-I362 HydrophobicContact CD2-CG2 4.07Å; L212-I362 HydrophobicContact CG-CD1 4.39Å; E216-I362 HydrophobicContact CB-CD1 3.81Å; E216-I362 HydrophobicContact CG-CD1 4.18Å; R219-I362 PolarHBondContact NH2-O 2.77Å; Q220-I362 HydrophobicContact CG-CD1 4.36Å; Q220-I362 VanDerWaalsContact NE2-CG1 3.26Å; R360-I362 HydrophobicContact CB-CG2 3.83Å; R360-I362 PolarHBondContact O-N 3Å
363P97.6Very high97.5Very high94 Ų9475 Ų7561%0.6139%0.39SS*.PPolyproline II helixtrans-56.7155.5174.1-25.535.5000112.8R219 Q220R219-P363 PolarHBondContact NH2-O 3.03Å; Q220-P363 PolarHBondContact NE2-O 3.04Å; Q220-P363 PolarHBondContact OE1-O 2.61Å
364L98.1Very high97.6Very high99 Ų9978.3 Ų78.352%0.51841%0.408SS..PPolyproline II helixtrans-80.9157.9172.4-66.9173.7000110.3F223 E366F223-L364 HydrophobicContact CD2-CD1 4.22Å; F223-L364 HydrophobicContact CD2-CD2 3.95Å; F223-L364 HydrophobicContact CE2-CB 4.39Å; F223-L364 HydrophobicContact CE2-CD1 3.8Å; F223-L364 HydrophobicContact CE2-CD2 4.33Å; F223-L364 HydrophobicContact CE2-CG 4.4Å; F223-L364 HydrophobicContact CG-CD2 4.33Å; F223-L364 HydrophobicContact CZ-CB 4.33Å; F223-L364 HydrophobicContact CZ-CD1 4.36Å; L364-E366 PolarHBondContact O-N 2.96Å
365P98.8Very high97.7Very high8 Ų876.8 Ų76.85%0.05240%0.402CS..PPolyproline II helixtrans-58136172.2-20.133000111.7F201 T202 F203 Q220 F223 V224F201-P365 HydrophobicContact CB-CB 4.24Å; F201-P365 HydrophobicContact CD1-CB 4.33Å; T202-P365 WeakPolarHBondContact O-CA 3.34Å; F203-P365 HydrophobicContact CD1-CB 4.16Å; F203-P365 HydrophobicContact CD1-CG 4.1Å; Q220-P365 HydrophobicContact CB-CG 4.19Å; F223-P365 HydrophobicContact CB-CG 4.45Å; F223-P365 HydrophobicContact CD1-CB 4.02Å; F223-P365 HydrophobicContact CD1-CG 3.62Å; F223-P365 HydrophobicContact CE1-CB 4.22Å; F223-P365 HydrophobicContact CE1-CG 4.25Å; F223-P365 WeakPolarHBondContact CE1-O 3.4Å; F223-P365 HydrophobicContact CG-CG 4.33Å; V224-P365 HydrophobicContact CG2-CB 3.9Å; V224-P365 HydrophobicContact CG2-CG 3.87Å
366E98.6Very high97.8Very high125 Ų12575 Ų7558%0.58438%0.384SS*.EExtended strand (participates in β ladder)trans-90.7134.8171.8-177.9-179.3176.200109.4F201 T202 L364F201-E366 CarbonylContact C-O 3.38Å; F201-E366 WeakPolarHBondContact CA-O 3.4Å; T202-E366 HydrophobicContact CG2-CB 4.25Å; T202-E366 PolarHBondContact N-O 2.84Å; T202-E366 PolarHBondContact O-N 2.95Å; L364-E366 PolarHBondContact O-N 2.96Å
367E98.8Very high97.9Very high42 Ų4273.2 Ų73.220%0.19637%0.366CS..EExtended strand (participates in β ladder)trans-83.9131.6172.4-170.9172.6-171.900111R199 F201 L369R199-E367 IonicContact CZ-OE1 3.87Å; R199-E367 IonicContact CZ-OE2 3.68Å; R199-E367 IonicContact NE-OE1 3.73Å; R199-E367 PolarHBondContact NE-OE1 2.96Å; R199-E367 IonicContact NE-OE2 2.68Å; R199-E367 IonicContact NH2-OE1 3.72Å; R199-E367 PolarHBondContact NH2-OE1 3.43Å; R199-E367 IonicContact NH2-OE2 2.7Å; R199-E367 PolarHBondContact NH2-OE2 3.34Å; F201-E367 HydrophobicContact CD1-CB 3.81Å; F201-E367 HydrophobicContact CD1-CG 4.21Å; F201-E367 HydrophobicContact CE1-CB 3.59Å; F201-E367 HydrophobicContact CE1-CG 3.82Å; F201-E367 HydrophobicContact CE2-CG 4.49Å; F201-E367 HydrophobicContact CZ-CB 4.26Å; F201-E367 HydrophobicContact CZ-CG 3.97Å; E367-L369 HydrophobicContact CG-CD2 3.8Å; E367-L369 HydrophobicContact CG-CG 4.14Å; E367-L369 PolarHBondContact O-N 3.32Å
368L98.7Very high98Very high15 Ų1569.8 Ų69.88%0.07935%0.352CS..  trans-91.993.3178.4-58.1-177.5000110.1I200 T202 I265 T268 I269I200-L368 HydrophobicContact CB-CB 4.36Å; I200-L368 HydrophobicContact CG2-CB 4.41Å; I200-L368 HydrophobicContact CG2-CD1 3.97Å; I200-L368 PolarHBondContact O-N 3.02Å; T202-L368 HydrophobicContact CG2-CD1 4.38Å; T202-L368 HydrophobicContact CG2-CD2 3.79Å; T202-L368 HydrophobicContact CG2-CG 4.22Å; I265-L368 HydrophobicContact CG1-CB 4.39Å; I265-L368 HydrophobicContact CG2-CB 3.73Å; I265-L368 HydrophobicContact CG2-CD1 4.11Å; I265-L368 HydrophobicContact CG2-CG 4.41Å; T268-L368 HydrophobicContact CG2-CD1 3.94Å; T268-L368 HydrophobicContact CG2-CD2 4.44Å; I269-L368 HydrophobicContact CG1-CD1 4.09Å
369L97.9Very high98.1Very high109 Ų10963.9 Ų63.957%0.57133%0.328SS*.  trans-89.4111.2-176.2-63.8174.5000111.4I265 E367I265-L369 WeakPolarHBondContact CD1-O 3.05Å; E367-L369 HydrophobicContact CG-CD2 3.8Å; E367-L369 HydrophobicContact CG-CG 4.14Å; E367-L369 PolarHBondContact O-N 3.32Å
370F98.6Very high98.2Very high26 Ų2661.1 Ų61.111%0.11431%0.311CS..  trans-75137.9173.5-77.3-99.2000111.1I200 V237 L255 N262 I265 L266 I269 L372I200-F370 HydrophobicContact CD1-CE2 4.09Å; V237-F370 HydrophobicContact CB-CD2 4.21Å; V237-F370 HydrophobicContact CB-CE2 4.27Å; V237-F370 HydrophobicContact CG1-CD1 4.12Å; V237-F370 HydrophobicContact CG1-CD2 4.2Å; V237-F370 HydrophobicContact CG1-CE1 3.96Å; V237-F370 HydrophobicContact CG1-CE2 4.04Å; V237-F370 HydrophobicContact CG1-CG 4.23Å; V237-F370 HydrophobicContact CG1-CZ 3.9Å; V237-F370 HydrophobicContact CG2-CB 4.1Å; V237-F370 HydrophobicContact CG2-CD2 3.92Å; V237-F370 HydrophobicContact CG2-CE2 4.48Å; V237-F370 HydrophobicContact CG2-CG 3.95Å; L255-F370 HydrophobicContact CD1-CE1 4.38Å; N262-F370 HydrophobicContact CB-CD1 4.07Å; N262-F370 HydrophobicContact CB-CE1 4.39Å; N262-F370 VanDerWaalsContact OD1-CA 3.26Å; N262-F370 WeakPolarHBondContact OD1-CA 3.48Å; N262-F370 WeakPolarHBondContact OD1-CD1 3.24Å; I265-F370 HydrophobicContact CB-CE1 4.41Å; I265-F370 HydrophobicContact CB-CE2 4.39Å; I265-F370 HydrophobicContact CB-CZ 4.16Å; I265-F370 HydrophobicContact CD1-CD2 4.48Å; I265-F370 HydrophobicContact CD1-CG 4.47Å; I265-F370 HydrophobicContact CG2-CD2 3.99Å; I265-F370 HydrophobicContact CG2-CE1 4.03Å; I265-F370 HydrophobicContact CG2-CE2 3.29Å; I265-F370 HydrophobicContact CG2-CZ 3.32Å; L266-F370 HydrophobicContact CD2-CE1 4.12Å; L266-F370 HydrophobicContact CD2-CZ 4.13Å; L266-F370 HydrophobicContact CG-CE1 4.04Å; L266-F370 HydrophobicContact CG-CZ 4.32Å; I269-F370 HydrophobicContact CD1-CE2 4.28Å; I269-F370 HydrophobicContact CD1-CZ 4.17Å; F370-L372 HydrophobicContact CB-CD2 3.84Å; F370-L372 HydrophobicContact CB-CG 4.06Å
371T98.6Very high98.3Very high58 Ų5865.2 Ų65.236%0.35633%0.326SS..  trans-78.9119.8164.2-57.70000108.9I258 D259 N262I258-T371 HydrophobicContact CG2-CG2 3.83Å; D259-T371 HydrophobicContact CB-CG2 4.04Å; D259-T371 WeakPolarHBondContact OD2-CB 3.21Å; D259-T371 PolarHBondContact OD2-OG1 3.32Å; N262-T371 PolarHBondContact ND2-O 3.49Å; N262-T371 PolarHBondContact OD1-N 2.87Å
372L98.4Very high98.4Very high33 Ų3359.5 Ų59.517%0.17330%0.3CS..  trans-123.8147.5-175.1-57.4177000111.7D235 V237 L255 F370 A376 I380D235-L372 HydrophobicContact CB-CD1 3.54Å; D235-L372 VanDerWaalsContact CG-CD1 3.46Å; D235-L372 WeakPolarHBondContact OD2-CD1 3.5Å; V237-L372 HydrophobicContact CG2-CD1 4.03Å; V237-L372 HydrophobicContact CG2-CD2 4.12Å; L255-L372 HydrophobicContact CD2-CD2 3.39Å; F370-L372 HydrophobicContact CB-CD2 3.84Å; F370-L372 HydrophobicContact CB-CG 4.06Å; L372-A376 HydrophobicContact CB-CB 4.26Å; L372-A376 HydrophobicContact CD2-CB 3.92Å; L372-I380 HydrophobicContact CD1-CD1 4.05Å; L372-I380 HydrophobicContact CD2-CD1 4.42Å
373D98.5Very high98.5Very high56 Ų5658.9 Ų58.930%0.29930%0.296SS..  trans-113.9176.1168.573-8.2000111.2H254 I258 K375 A376 H377H254-D373 IonicContact CD2-OD1 2.69Å; H254-D373 IonicContact CE1-OD1 3.3Å; H254-D373 IonicContact CE1-OD2 2.71Å; H254-D373 PolarHBondContact CE1-OD2 3.28Å; H254-D373 VanDerWaalsContact CE1-OD2 3.24Å; H254-D373 VanDerWaalsContact NE2-CG 3.29Å; H254-D373 IonicContact NE2-OD1 3.7Å; H254-D373 PolarHBondContact NE2-OD1 3.03Å; H254-D373 IonicContact NE2-OD2 3.07Å; H254-D373 PolarHBondContact NE2-OD2 3.31Å; I258-D373 HydrophobicContact CD1-CB 4.18Å; I258-D373 WeakPolarHBondContact CD1-OD1 3.49Å; D373-K375 PolarHBondContact O-N 3.03Å; D373-K375 PolarHBondContact OD1-N 3.04Å; D373-A376 PolarHBondContact O-N 3.47Å; D373-A376 VanDerWaalsContact O-N 3.07Å; D373-A376 WeakPolarHBondContact OD1-CB 3.36Å; D373-A376 PolarHBondContact OD1-N 3.42Å; D373-H377 PolarHBondContact O-CD2 2.95Å; D373-H377 PolarHBondContact O-N 3.42Å
374E98.5Very high98.6Very high143 Ų14357 Ų5767%0.66828%0.279SS*.Hα-helixtrans-57.5-34180-77.7-58.4144.700113.4S378E374-S378 WeakPolarHBondContact O-CB 3.4Å; E374-S378 PolarHBondContact O-N 2.98Å
375K98.4Very high98.6Very high91 Ų9157.7 Ų57.740%0.39628%0.279SS..Hα-helixtrans-66.8-46176.1178.3-179.1171.6-57.60110.5D373 H377 S378 D379D373-K375 PolarHBondContact O-N 3.03Å; D373-K375 PolarHBondContact OD1-N 3.04Å; K375-H377 VanDerWaalsContact C-N 3.35Å; K375-H377 PolarHBondContact O-N 3.29Å; K375-S378 WeakPolarHBondContact O-CB 3.43Å; K375-S378 PolarHBondContact O-N 2.97Å; K375-S378 VanDerWaalsContact O-N 3.13Å; K375-D379 IonicContact NZ-OD2 2.72Å; K375-D379 PolarHBondContact NZ-OD2 2.94Å; K375-D379 PolarHBondContact O-N 2.73Å
376A98.7Very high98.5Very high2 Ų259 Ų592%0.01729%0.285CS..Hα-helixtrans-60.6-43.6176.700000111.5L255 I258 L372 D373 S378 D379 I380L255-A376 HydrophobicContact CD2-CB 3.93Å; I258-A376 HydrophobicContact CD1-CB 4.19Å; L372-A376 HydrophobicContact CB-CB 4.26Å; L372-A376 HydrophobicContact CD2-CB 3.92Å; D373-A376 PolarHBondContact O-N 3.47Å; D373-A376 VanDerWaalsContact O-N 3.07Å; D373-A376 WeakPolarHBondContact OD1-CB 3.36Å; D373-A376 PolarHBondContact OD1-N 3.42Å; A376-S378 VanDerWaalsContact C-N 3.3Å; A376-S378 PolarHBondContact O-N 3.32Å; A376-D379 PolarHBondContact O-N 2.89Å; A376-I380 WeakPolarHBondContact O-CB 3.29Å; A376-I380 WeakPolarHBondContact O-CD1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.49Å; A376-I380 PolarHBondContact O-N 2.66Å
377H98.7Very high98.5Very high43 Ų4353.2 Ų53.220%0.19926%0.258CS..Hα-helixtrans-61.7-37.9173.8-67.5-67.8000112.3D235 D373 K375 I380 R381D235-H377 IonicContact OD1-CE1 3.16Å; D235-H377 PolarHBondContact OD1-CE1 3.06Å; D235-H377 IonicContact OD1-ND1 3.68Å; D235-H377 PolarHBondContact OD1-ND1 3.06Å; D373-H377 PolarHBondContact O-CD2 2.95Å; D373-H377 PolarHBondContact O-N 3.42Å; K375-H377 VanDerWaalsContact C-N 3.35Å; K375-H377 PolarHBondContact O-N 3.29Å; H377-I380 PolarHBondContact O-N 3.39Å; H377-R381 WeakPolarHBondContact O-CG 3.25Å; H377-R381 PolarHBondContact O-N 2.75Å
378S98.7Very high98.4Very high57 Ų5755.1 Ų55.140%0.39927%0.269SS..Hα-helixtrans-64.7-44.6175.1-171.70000112.5E374 K375 A376 I380 R381 H382E374-S378 WeakPolarHBondContact O-CB 3.4Å; E374-S378 PolarHBondContact O-N 2.98Å; K375-S378 WeakPolarHBondContact O-CB 3.43Å; K375-S378 PolarHBondContact O-N 2.97Å; K375-S378 VanDerWaalsContact O-N 3.13Å; A376-S378 VanDerWaalsContact C-N 3.3Å; A376-S378 PolarHBondContact O-N 3.32Å; S378-I380 VanDerWaalsContact C-N 3.31Å; S378-I380 PolarHBondContact O-N 3.5Å; S378-R381 PolarHBondContact O-N 3.17Å; S378-H382 WeakPolarHBondContact O-CB 3.32Å; S378-H382 PolarHBondContact O-N 3.49Å
379D98.8Very high98.3Very high29 Ų2959.6 Ų59.616%0.15529%0.289CS..Hα-helixtrans-61.9-41.6177.1-70.3-25.7000110.5L240 A251 K375 A376 H382 A383L240-D379 HydrophobicContact CD2-CB 3.88Å; A251-D379 HydrophobicContact CB-CB 4.29Å; K375-D379 IonicContact NZ-OD2 2.72Å; K375-D379 PolarHBondContact NZ-OD2 2.94Å; K375-D379 PolarHBondContact O-N 2.73Å; A376-D379 PolarHBondContact O-N 2.89Å; D379-H382 PolarHBondContact O-N 3.25Å; D379-A383 WeakPolarHBondContact O-CB 3.12Å; D379-A383 PolarHBondContact O-N 2.88Å
380I98.9Very high98.2Very high3 Ų356.2 Ų56.22%0.01528%0.275CS..Hα-helixtrans-62.3-47.4175.7-70.9165.3000111.3D235 V237 L240 L372 A376 H377 S378 H382 A383 K384D235-I380 HydrophobicContact CB-CD1 4.4Å; D235-I380 VanDerWaalsContact O-CG2 3.26Å; D235-I380 WeakPolarHBondContact O-CG2 3.44Å; V237-I380 HydrophobicContact CB-CD1 4.49Å; V237-I380 HydrophobicContact CG2-CD1 3.92Å; L240-I380 HydrophobicContact CD1-CG1 3.89Å; L240-I380 HydrophobicContact CD2-CB 4.47Å; L240-I380 HydrophobicContact CD2-CG1 3.89Å; L240-I380 HydrophobicContact CG-CG1 3.8Å; L372-I380 HydrophobicContact CD1-CD1 4.05Å; L372-I380 HydrophobicContact CD2-CD1 4.42Å; A376-I380 WeakPolarHBondContact O-CB 3.29Å; A376-I380 WeakPolarHBondContact O-CD1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.49Å; A376-I380 PolarHBondContact O-N 2.66Å; H377-I380 PolarHBondContact O-N 3.39Å; S378-I380 VanDerWaalsContact C-N 3.31Å; S378-I380 PolarHBondContact O-N 3.5Å; I380-H382 VanDerWaalsContact C-N 3.32Å; I380-H382 PolarHBondContact O-N 2.76Å; I380-A383 PolarHBondContact O-N 3.1Å; I380-K384 HydrophobicContact CG2-CD 4.28Å; I380-K384 VanDerWaalsContact CG2-CE 3.42Å; I380-K384 WeakPolarHBondContact O-CG 3.38Å; I380-K384 PolarHBondContact O-N 2.7Å
381R98.6Very high98.1Very high135 Ų13555.8 Ų55.851%0.50927%0.274SS..Hα-helixtrans-60.1-43177.3-75.7-174.2-62.4-98.12.6111.5H377 S378 K384 Q385H377-R381 WeakPolarHBondContact O-CG 3.25Å; H377-R381 PolarHBondContact O-N 2.75Å; S378-R381 PolarHBondContact O-N 3.17Å; R381-K384 PolarHBondContact O-N 3.31Å; R381-Q385 WeakPolarHBondContact O-CB 3.31Å; R381-Q385 PolarHBondContact O-N 2.85Å
382H98.6Very high98Very high68 Ų6859.4 Ų59.432%0.31529%0.287SS..Hα-helixtrans-60.6-50.4176.9177.378.5000111.9D243 R247 S378 D379 I380 K384 Q385 Q386D243-H382 IonicContact OD2-CD2 3.67Å; R247-H382 VanDerWaalsContact CZ-NE2 3.29Å; R247-H382 PolarHBondContact NE-NE2 3.29Å; R247-H382 PolarHBondContact NH2-CD2 3.23Å; R247-H382 PolarHBondContact NH2-NE2 3.39Å; S378-H382 WeakPolarHBondContact O-CB 3.32Å; S378-H382 PolarHBondContact O-N 3.49Å; D379-H382 PolarHBondContact O-N 3.25Å; I380-H382 VanDerWaalsContact C-N 3.32Å; I380-H382 PolarHBondContact O-N 2.76Å; H382-K384 VanDerWaalsContact C-N 3.34Å; H382-K384 PolarHBondContact O-N 3.26Å; H382-Q385 PolarHBondContact O-N 2.63Å; H382-Q386 WeakPolarHBondContact O-CB 3.36Å; H382-Q386 PolarHBondContact O-N 3.15Å
383A98.8Very high98Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-60.9-42.9-179.700000111.8A239 L240 D243 D379 I380 Q385 Y387A239-A383 WeakPolarHBondContact O-CB 3.43Å; L240-A383 HydrophobicContact CD2-CB 4.23Å; D243-A383 HydrophobicContact CB-CB 4.05Å; D379-A383 WeakPolarHBondContact O-CB 3.12Å; D379-A383 PolarHBondContact O-N 2.88Å; I380-A383 PolarHBondContact O-N 3.1Å; A383-Q385 PolarHBondContact O-N 3Å; A383-Y387 VanDerWaalsContact O-CB 3.22Å; A383-Y387 WeakPolarHBondContact O-CB 3.35Å; A383-Y387 PolarHBondContact O-N 3.21Å
384K98.3Very high98Very high54 Ų5458 Ų5824%0.23528%0.28CS..Hα-helixtrans-57.6-50173.6-70.9178.9-167.3-1770111.5D235 A239 T303 I380 R381 H382 L388D235-K384 WeakPolarHBondContact O-CE 3.39Å; D235-K384 PolarHBondContact O-NZ 3.41Å; A239-K384 HydrophobicContact CB-CG 3.53Å; T303-K384 HydrophobicContact CG2-CD 3.82Å; T303-K384 HydrophobicContact CG2-CG 4.08Å; I380-K384 HydrophobicContact CG2-CD 4.28Å; I380-K384 VanDerWaalsContact CG2-CE 3.42Å; I380-K384 WeakPolarHBondContact O-CG 3.38Å; I380-K384 PolarHBondContact O-N 2.7Å; R381-K384 PolarHBondContact O-N 3.31Å; H382-K384 VanDerWaalsContact C-N 3.34Å; H382-K384 PolarHBondContact O-N 3.26Å; K384-L388 WeakPolarHBondContact O-CB 3.39Å; K384-L388 WeakPolarHBondContact O-CG 3.43Å; K384-L388 PolarHBondContact O-N 3.02Å
385Q98Very high97.9Very high114 Ų11452.8 Ų52.853%0.53326%0.255SS..Hα-helixtrans-63.2-52.4-177.6179.9177.2-2.900111.7R381 H382 A383 Y387 L388 E389R381-Q385 WeakPolarHBondContact O-CB 3.31Å; R381-Q385 PolarHBondContact O-N 2.85Å; H382-Q385 PolarHBondContact O-N 2.63Å; A383-Q385 PolarHBondContact O-N 3Å; Q385-Y387 VanDerWaalsContact C-N 3.28Å; Q385-Y387 PolarHBondContact O-N 2.91Å; Q385-L388 PolarHBondContact O-N 2.92Å; Q385-E389 HydrophobicContact CG-CG 4.47Å; Q385-E389 VanDerWaalsContact CG-OE1 3.23Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.23Å; Q385-E389 PolarHBondContact NE2-OE1 3.44Å; Q385-E389 WeakPolarHBondContact O-CG 3.39Å; Q385-E389 PolarHBondContact O-N 3.15Å
386Q97.6Very high97.9Very high36 Ų3649.4 Ų49.417%0.16824%0.241CC..Hα-helixtrans-59.6-39.7-178.9176-83-32.900111.8H382 S390H382-Q386 WeakPolarHBondContact O-CB 3.36Å; H382-Q386 PolarHBondContact O-N 3.15Å; Q386-S390 PolarHBondContact NE2-OG 3.44Å; Q386-S390 WeakPolarHBondContact O-CB 3.35Å; Q386-S390 PolarHBondContact O-N 3.01Å; Q386-S390 PolarHBondContact O-OG 2.89Å
387Y98.3Very high97.9Very high3 Ų349.6 Ų49.61%0.01224%0.243CC..Hα-helixtrans-67.8-44.9177.3-173.4-100.5000112.4Q98 L99 S242 L298 T299 P302 A383 Q385 E389 S390 T391Q98-Y387 HydrophobicContact CB-CE2 4.32Å; Q98-Y387 HydrophobicContact CG-CE2 4.01Å; Q98-Y387 PolarHBondContact NE2-OH 3.04Å; Q98-Y387 VanDerWaalsContact NE2-OH 3.13Å; L99-Y387 HydrophobicContact CB-CE2 4.03Å; S242-Y387 VanDerWaalsContact CB-CD2 3.41Å; S242-Y387 WeakPolarHBondContact OG-CB 3.17Å; L298-Y387 PolarHBondContact O-OH 2.94Å; T299-Y387 WeakPolarHBondContact O-CE1 3.32Å; T299-Y387 VanDerWaalsContact O-CZ 3.26Å; T299-Y387 PolarHBondContact O-OH 3.35Å; P302-Y387 HydrophobicContact CB-CD1 3.59Å; P302-Y387 HydrophobicContact CB-CE1 3.82Å; P302-Y387 HydrophobicContact CB-CG 4.11Å; P302-Y387 HydrophobicContact CG-CD1 3.52Å; P302-Y387 HydrophobicContact CG-CE1 4.06Å; P302-Y387 HydrophobicContact CG-CG 4.23Å; A383-Y387 VanDerWaalsContact O-CB 3.22Å; A383-Y387 WeakPolarHBondContact O-CB 3.35Å; A383-Y387 PolarHBondContact O-N 3.21Å; Q385-Y387 VanDerWaalsContact C-N 3.28Å; Q385-Y387 PolarHBondContact O-N 2.91Å; Y387-E389 VanDerWaalsContact C-N 3.33Å; Y387-E389 PolarHBondContact O-N 3.48Å; Y387-S390 PolarHBondContact O-N 3.31Å; Y387-T391 HydrophobicContact CD1-CG2 3.91Å; Y387-T391 HydrophobicContact CD2-CG2 4.36Å; Y387-T391 HydrophobicContact CE1-CG2 3.63Å; Y387-T391 HydrophobicContact CE2-CG2 4.12Å; Y387-T391 HydrophobicContact CG-CG2 4.31Å; Y387-T391 WeakPolarHBondContact O-CB 3.32Å; Y387-T391 VanDerWaalsContact O-CG2 3.24Å; Y387-T391 WeakPolarHBondContact O-CG2 3.42Å; Y387-T391 PolarHBondContact O-N 2.68Å; Y387-T391 PolarHBondContact O-OG1 3.07Å
388L96.4Very high97.9Very high83 Ų8347.6 Ų47.644%0.43523%0.233SC..Hα-helixtrans-61.7-40.9176.9-72.1171.2000111.7K384 Q385 T391 Q392K384-L388 WeakPolarHBondContact O-CB 3.39Å; K384-L388 WeakPolarHBondContact O-CG 3.43Å; K384-L388 PolarHBondContact O-N 3.02Å; Q385-L388 PolarHBondContact O-N 2.92Å; L388-T391 WeakPolarHBondContact CA-OG1 3.32Å; L388-T391 PolarHBondContact O-OG1 2.85Å; L388-Q392 VanDerWaalsContact O-CG 3.28Å; L388-Q392 WeakPolarHBondContact O-CG 3.5Å; L388-Q392 PolarHBondContact O-N 2.88Å
389E96.4Very high97.8Very high108 Ų10848 Ų4851%0.50523%0.226SC..Hα-helixtrans-63.3-46.3175.1-71.9170.7-174.800111.5Q385 Y387 T391 Q392Q385-E389 HydrophobicContact CG-CG 4.47Å; Q385-E389 VanDerWaalsContact CG-OE1 3.23Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.23Å; Q385-E389 PolarHBondContact NE2-OE1 3.44Å; Q385-E389 WeakPolarHBondContact O-CG 3.39Å; Q385-E389 PolarHBondContact O-N 3.15Å; Y387-E389 VanDerWaalsContact C-N 3.33Å; Y387-E389 PolarHBondContact O-N 3.48Å; E389-T391 PolarHBondContact O-N 3.42Å; E389-Q392 PolarHBondContact O-N 2.84Å
390S96Very high97.8Very high38 Ų3847.2 Ų47.227%0.26622%0.224SC..Hα-helixtrans-67.2-38.4-178.2-54.60000112.5Q386 Y387 Q392 D393Q386-S390 PolarHBondContact NE2-OG 3.44Å; Q386-S390 WeakPolarHBondContact O-CB 3.35Å; Q386-S390 PolarHBondContact O-N 3.01Å; Q386-S390 PolarHBondContact O-OG 2.89Å; Y387-S390 PolarHBondContact O-N 3.31Å; S390-Q392 VanDerWaalsContact C-N 3.33Å; S390-Q392 PolarHBondContact O-N 3.44Å; S390-D393 PolarHBondContact O-N 3.05Å
391T97.1Very high97.7Very high18 Ų1847.6 Ų47.611%0.1123%0.226CC..Hα-helixtrans-70.8-27.8179.853.40000113.1L99 T299 Y387 L388 E389 D393 L394L99-T391 HydrophobicContact CD1-CG2 3.99Å; L99-T391 HydrophobicContact CD2-CG2 4Å; T299-T391 HydrophobicContact CG2-CG2 3.73Å; Y387-T391 HydrophobicContact CD1-CG2 3.91Å; Y387-T391 HydrophobicContact CD2-CG2 4.36Å; Y387-T391 HydrophobicContact CE1-CG2 3.63Å; Y387-T391 HydrophobicContact CE2-CG2 4.12Å; Y387-T391 HydrophobicContact CG-CG2 4.31Å; Y387-T391 WeakPolarHBondContact O-CB 3.32Å; Y387-T391 VanDerWaalsContact O-CG2 3.24Å; Y387-T391 WeakPolarHBondContact O-CG2 3.42Å; Y387-T391 PolarHBondContact O-N 2.68Å; Y387-T391 PolarHBondContact O-OG1 3.07Å; L388-T391 WeakPolarHBondContact CA-OG1 3.32Å; L388-T391 PolarHBondContact O-OG1 2.85Å; E389-T391 PolarHBondContact O-N 3.42Å; T391-D393 PolarHBondContact O-N 2.75Å; T391-L394 PolarHBondContact O-N 3.32Å
392Q96.6Very high97.7Very high134 Ų13444.9 Ų44.963%0.62622%0.224SC*.Hα-helixtrans-65-26.5173.5-75.4173.12400112.5L388 E389 S390 L394 K582L388-Q392 VanDerWaalsContact O-CG 3.28Å; L388-Q392 WeakPolarHBondContact O-CG 3.5Å; L388-Q392 PolarHBondContact O-N 2.88Å; E389-Q392 PolarHBondContact O-N 2.84Å; S390-Q392 VanDerWaalsContact C-N 3.33Å; S390-Q392 PolarHBondContact O-N 3.44Å; Q392-L394 VanDerWaalsContact C-N 3.34Å; Q392-K582 WeakPolarHBondContact O-CD 3.38Å; Q392-K582 WeakPolarHBondContact O-CE 3.49Å; Q392-K582 PolarHBondContact O-NZ 3.43Å
393D97.8Very high97.6Very high45 Ų4544.4 Ų44.424%0.24123%0.232CC..THydrogen-bonded Turntrans-79.1-15.8178.2-162.233.3000113.2S390 T391 Q395 W581 K582 S583S390-D393 PolarHBondContact O-N 3.05Å; T391-D393 PolarHBondContact O-N 2.75Å; D393-Q395 PolarHBondContact O-N 3Å; D393-W581 HydrophobicContact CB-CE3 4.18Å; D393-W581 CarbonylContact O-C 3.45Å; D393-W581 WeakPolarHBondContact O-CA 3.39Å; D393-K582 WeakPolarHBondContact O-CG 3.4Å; D393-K582 PolarHBondContact O-N 2.92Å; D393-K582 PolarHBondContact OD1-N 3.46Å; D393-S583 VanDerWaalsContact CG-OG 3.27Å; D393-S583 WeakPolarHBondContact OD1-CB 3.39Å; D393-S583 PolarHBondContact OD1-N 3.39Å; D393-S583 PolarHBondContact OD1-OG 3.38Å; D393-S583 WeakPolarHBondContact OD2-CB 3.4Å; D393-S583 PolarHBondContact OD2-OG 3.07Å
394L98.2Very high97.6Very high13 Ų1345.3 Ų45.37%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-75.3123.2177-169.369.1000110.4L99 L298 T299 T391 Q392 A556 W581 K582L99-L394 HydrophobicContact CD1-CD2 4.23Å; L298-L394 HydrophobicContact CD1-CD2 4.31Å; T299-L394 HydrophobicContact CG2-CD2 3.88Å; T391-L394 PolarHBondContact O-N 3.32Å; Q392-L394 VanDerWaalsContact C-N 3.34Å; L394-A556 HydrophobicContact CD1-CB 4.23Å; L394-W581 HydrophobicContact CB-CE3 4.45Å; L394-W581 HydrophobicContact CB-CZ3 4.07Å; L394-W581 HydrophobicContact CD1-CE3 4.18Å; L394-W581 HydrophobicContact CD1-CH2 4.15Å; L394-W581 HydrophobicContact CD1-CZ3 3.93Å; L394-K582 WeakPolarHBondContact O-CE 3.25Å
395Q97.6Very high97.6Very high34 Ų3442.8 Ų42.816%0.15923%0.225CC..EExtended strand (participates in β ladder)trans-94.9137164.4-170.9-173.323.500109D393 T579 A580 K582 D588 A589D393-Q395 PolarHBondContact O-N 3Å; Q395-T579 CarbonylContact O-C 3.58Å; Q395-T579 VanDerWaalsContact O-CA 3.26Å; Q395-T579 WeakPolarHBondContact O-CA 3.37Å; Q395-A580 HydrophobicContact CB-CB 4.33Å; Q395-A580 PolarHBondContact N-O 3.22Å; Q395-A580 PolarHBondContact O-N 2.94Å; Q395-K582 HydrophobicContact CB-CG 3.91Å; Q395-D588 PolarHBondContact NE2-OD2 3Å; Q395-A589 HydrophobicContact CG-CB 4.03Å
396L97.9Very high97.6Very high20 Ų2038.9 Ų38.911%0.10521%0.207CC..EExtended strand (participates in β ladder)trans-141.2136.7177.3-172150.2000110.5T291 T294 L298 C398 I578 T579T291-L396 HydrophobicContact CG2-CD2 3.95Å; T291-L396 VanDerWaalsContact CG2-O 3.25Å; T291-L396 WeakPolarHBondContact CG2-O 3.21Å; T294-L396 HydrophobicContact CG2-CD1 3.8Å; T294-L396 HydrophobicContact CG2-CD2 4.1Å; L298-L396 HydrophobicContact CD1-CD1 3.63Å; L396-C398 HydrophobicContact CD2-CB 4.03Å; L396-I578 WeakPolarHBondContact CA-O 3.13Å; L396-T579 HydrophobicContact CB-CG2 4.44Å; L396-T579 HydrophobicContact CD1-CG2 3.84Å; L396-T579 HydrophobicContact CG-CG2 4.09Å
397V98.4Very high97.7Very high7 Ų739.6 Ų39.64%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-125.1140.7160.4-63.80000109.6Y399 S577 I578 A589 A590 F593V397-Y399 HydrophobicContact CB-CD2 4.03Å; V397-Y399 HydrophobicContact CB-CE2 3.5Å; V397-Y399 HydrophobicContact CG1-CE2 3.8Å; V397-Y399 HydrophobicContact CG2-CD2 4.42Å; V397-Y399 HydrophobicContact CG2-CE2 4.17Å; V397-S577 CarbonylContact O-C 3.52Å; V397-S577 WeakPolarHBondContact O-CA 3.38Å; V397-I578 HydrophobicContact CG2-CB 3.85Å; V397-I578 HydrophobicContact CG2-CG1 4.3Å; V397-I578 PolarHBondContact N-O 3.32Å; V397-I578 PolarHBondContact O-N 3.5Å; V397-A589 HydrophobicContact CG2-CB 4.07Å; V397-A589 WeakPolarHBondContact CG2-O 3.29Å; V397-A590 HydrophobicContact CG1-CB 3.98Å; V397-F593 HydrophobicContact CG2-CB 4.07Å
398C98.4Very high97.6Very high0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-140.4106.8172.9-173.30000110.9N289 Y290 T291 T294 L396 I576 S577N289-C398 PolarHBondContact OD1-O 3.24Å; Y290-C398 PolarHBondContact N-O 3.22Å; T291-C398 PolarHBondContact N-O 3.43Å; T291-C398 PolarHBondContact OG1-N 2.94Å; T291-C398 PolarHBondContact OG1-O 3.3Å; T294-C398 HydrophobicContact CG2-CB 4.48Å; L396-C398 HydrophobicContact CD2-CB 4.03Å; C398-I576 CarbonylContact C-O 3.53Å; C398-I576 VanDerWaalsContact CA-O 3.24Å; C398-I576 WeakPolarHBondContact CA-O 3.42Å; C398-S577 PolarHBondContact SG-OG 3.01Å
399Y98Very high97.7Very high65 Ų6536.7 Ų36.726%0.25520%0.204SC..EExtended strand (participates in β ladder)trans-130.4150.7-171.5-58-52.9000112.4E288 N289 V397 V575 I576 F593E288-Y399 WeakPolarHBondContact O-CA 3.42Å; N289-Y399 HydrophobicContact CB-CD1 4.04Å; N289-Y399 HydrophobicContact CB-CE1 4.24Å; N289-Y399 VanDerWaalsContact CG-CE1 3.49Å; N289-Y399 WeakPolarHBondContact OD1-CE1 3.47Å; V397-Y399 HydrophobicContact CB-CD2 4.03Å; V397-Y399 HydrophobicContact CB-CE2 3.5Å; V397-Y399 HydrophobicContact CG1-CE2 3.8Å; V397-Y399 HydrophobicContact CG2-CD2 4.42Å; V397-Y399 HydrophobicContact CG2-CE2 4.17Å; Y399-V575 WeakPolarHBondContact O-CA 3.08Å; Y399-I576 PolarHBondContact N-O 3.25Å; Y399-I576 PolarHBondContact O-N 3.44Å; Y399-F593 VanDerWaalsContact CB-CZ 3.44Å; Y399-F593 AromaticContact CD2-CD1 3.51Å; Y399-F593 HydrophobicContact CD2-CD1 3.51Å; Y399-F593 AromaticContact CD2-CD2 3.95Å; Y399-F593 HydrophobicContact CD2-CD2 3.95Å; Y399-F593 AromaticContact CD2-CE1 3.51Å; Y399-F593 HydrophobicContact CD2-CE1 3.51Å; Y399-F593 AromaticContact CD2-CE2 3.95Å; Y399-F593 HydrophobicContact CD2-CE2 3.95Å; Y399-F593 AromaticContact CD2-CG 3.74Å; Y399-F593 HydrophobicContact CD2-CG 3.74Å; Y399-F593 AromaticContact CD2-CZ 3.74Å; Y399-F593 HydrophobicContact CD2-CZ 3.74Å; Y399-F593 HydrophobicContact CE2-CD1 4.04Å; Y399-F593 HydrophobicContact CE2-CE1 4.34Å; Y399-F593 HydrophobicContact CE2-CG 4.35Å; Y399-F593 HydrophobicContact CG-CE1 4.13Å; Y399-F593 HydrophobicContact CG-CE2 4.33Å; Y399-F593 HydrophobicContact CG-CZ 4.04Å
400A97.1Very high97.8Very high13 Ų1337.2 Ų37.211%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-87.7116.5167.800000110.5E288 T402 V575E288-A400 PolarHBondContact O-N 3.01Å; A400-T402 HydrophobicContact CB-CG2 4.01Å; A400-T402 PolarHBondContact O-N 3Å; A400-V575 HydrophobicContact CB-CG2 3.93Å
401F98.1Very high97.8Very high11 Ų1142.7 Ų42.75%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-77.9107.5162.1179.7-92.1000108.9A403 F404 R573 I574 I576 M600 H601F401-A403 HydrophobicContact CE1-CB 3.88Å; F401-A403 HydrophobicContact CE2-CB 4.2Å; F401-A403 HydrophobicContact CZ-CB 3.65Å; F401-F404 AromaticContact CE1-CD1 3.65Å; F401-F404 HydrophobicContact CE1-CD1 3.65Å; F401-F404 AromaticContact CE1-CD2 4Å; F401-F404 HydrophobicContact CE1-CD2 4Å; F401-F404 AromaticContact CE1-CE1 3.51Å; F401-F404 HydrophobicContact CE1-CE1 3.51Å; F401-F404 AromaticContact CE1-CE2 3.86Å; F401-F404 HydrophobicContact CE1-CE2 3.86Å; F401-F404 AromaticContact CE1-CG 3.9Å; F401-F404 HydrophobicContact CE1-CG 3.9Å; F401-F404 AromaticContact CE1-CZ 3.62Å; F401-F404 HydrophobicContact CE1-CZ 3.62Å; F401-F404 AromaticContact CZ-CD1 3.9Å; F401-F404 HydrophobicContact CZ-CD1 3.9Å; F401-F404 AromaticContact CZ-CE1 3.43Å; F401-F404 HydrophobicContact CZ-CE1 3.43Å; F401-F404 VanDerWaalsContact CZ-CE1 3.43Å; F401-F404 HydrophobicContact CZ-CE2 4.45Å; F401-F404 AromaticContact CZ-CZ 3.75Å; F401-F404 HydrophobicContact CZ-CZ 3.75Å; F401-R573 WeakPolarHBondContact O-CA 3.48Å; F401-R573 WeakPolarHBondContact O-CB 3.31Å; F401-I574 WeakPolarHBondContact CA-O 3.46Å; F401-I574 HydrophobicContact CB-CB 4.5Å; F401-I574 WeakPolarHBondContact CB-O 3.5Å; F401-I574 PolarHBondContact N-O 2.91Å; F401-I574 PolarHBondContact O-N 2.95Å; F401-I576 HydrophobicContact CB-CD1 3.81Å; F401-M600 HydrophobicContact CE1-CB 4.47Å; F401-M600 HydrophobicContact CE2-CB 4.15Å; F401-M600 HydrophobicContact CZ-CB 3.92Å; F401-H601 AromaticContact CE2-CD2 3.85Å; F401-H601 AromaticContact CE2-NE2 3.57Å; F401-H601 AromaticContact CZ-NE2 3.74Å
402T97.2Very high97.8Very high79 Ų7943.9 Ų43.949%0.48523%0.23SC..  trans-104.3-1-170.853.30000114.4A400 F404A400-T402 HydrophobicContact CB-CG2 4.01Å; A400-T402 PolarHBondContact O-N 3Å; T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.39Å
403A98Very high97.8Very high58 Ų5847 Ų4748%0.47924%0.241SC..SBendtrans-67.7-32.1-178.200000112.9F401 H601F401-A403 HydrophobicContact CE1-CB 3.88Å; F401-A403 HydrophobicContact CE2-CB 4.2Å; F401-A403 HydrophobicContact CZ-CB 3.65Å; A403-H601 WeakPolarHBondContact CB-CE1 3.44Å
404F98.3Very high97.8Very high18 Ų1845.4 Ų45.48%0.07923%0.233CC..  trans-166.2164172.356-94.7000111.3F401 T402 A408 I409 F419 D572 M600 L604F401-F404 AromaticContact CE1-CD1 3.65Å; F401-F404 HydrophobicContact CE1-CD1 3.65Å; F401-F404 AromaticContact CE1-CD2 4Å; F401-F404 HydrophobicContact CE1-CD2 4Å; F401-F404 AromaticContact CE1-CE1 3.51Å; F401-F404 HydrophobicContact CE1-CE1 3.51Å; F401-F404 AromaticContact CE1-CE2 3.86Å; F401-F404 HydrophobicContact CE1-CE2 3.86Å; F401-F404 AromaticContact CE1-CG 3.9Å; F401-F404 HydrophobicContact CE1-CG 3.9Å; F401-F404 AromaticContact CE1-CZ 3.62Å; F401-F404 HydrophobicContact CE1-CZ 3.62Å; F401-F404 AromaticContact CZ-CD1 3.9Å; F401-F404 HydrophobicContact CZ-CD1 3.9Å; F401-F404 AromaticContact CZ-CE1 3.43Å; F401-F404 HydrophobicContact CZ-CE1 3.43Å; F401-F404 VanDerWaalsContact CZ-CE1 3.43Å; F401-F404 HydrophobicContact CZ-CE2 4.45Å; F401-F404 AromaticContact CZ-CZ 3.75Å; F401-F404 HydrophobicContact CZ-CZ 3.75Å; T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.39Å; F404-A408 HydrophobicContact CB-CB 3.83Å; F404-A408 HydrophobicContact CG-CB 4.44Å; F404-I409 HydrophobicContact CD2-CD1 4.31Å; F404-I409 HydrophobicContact CD2-CG1 4.08Å; F404-I409 HydrophobicContact CE2-CD1 4.13Å; F404-I409 HydrophobicContact CE2-CG1 4.02Å; F404-F419 HydrophobicContact CE2-CE1 4.13Å; F404-F419 HydrophobicContact CE2-CZ 4.47Å; F404-F419 HydrophobicContact CZ-CE1 4.27Å; F404-F419 HydrophobicContact CZ-CZ 4.47Å; F404-D572 CarbonylContact C-O 3.6Å; F404-M600 HydrophobicContact CE2-CE 3.86Å; F404-M600 HydrophobicContact CZ-CB 4.01Å; F404-M600 HydrophobicContact CZ-CE 4.19Å; F404-M600 WeakPolarHBondContact CZ-O 3.4Å; F404-L604 HydrophobicContact CB-CD2 4.38Å; F404-L604 HydrophobicContact CD1-CD2 3.37Å; F404-L604 HydrophobicContact CD2-CD2 4.02Å; F404-L604 HydrophobicContact CE1-CB 4.09Å; F404-L604 HydrophobicContact CE1-CD2 3.45Å; F404-L604 VanDerWaalsContact CE1-CD2 3.45Å; F404-L604 HydrophobicContact CE1-CG 4.4Å; F404-L604 HydrophobicContact CE2-CD2 4.1Å; F404-L604 HydrophobicContact CG-CD2 3.67Å; F404-L604 HydrophobicContact CZ-CB 3.94Å; F404-L604 HydrophobicContact CZ-CD2 3.82Å; F404-L604 HydrophobicContact CZ-CG 4.45Å
405G98.3Very high97.8Very high1 Ų148.4 Ų48.41%0.0125%0.246CC..  trans-127-157.317200000113.1S407 A408 I409 R570 D571 D572G405-S407 PolarHBondContact O-N 2.91Å; G405-S407 VanDerWaalsContact O-N 3.15Å; G405-A408 PolarHBondContact O-N 2.83Å; G405-I409 PolarHBondContact O-N 2.89Å; G405-R570 WeakPolarHBondContact CA-O 3.34Å; G405-D571 CarbonylContact C-O 3.54Å; G405-D571 VanDerWaalsContact C-O 3.26Å; G405-D571 WeakPolarHBondContact CA-O 3.29Å; G405-D571 PolarHBondContact N-O 3.32Å; G405-D572 PolarHBondContact N-O 2.67Å
406K98.3Very high97.8Very high32 Ų3246.8 Ų46.814%0.13924%0.239CC..Hα-helixtrans-61.2-25.1-176.965.1-169.4179.3-168.20113.8I409 K410 P416 Y548 I569 R570 D571K406-I409 PolarHBondContact O-N 3.47Å; K406-K410 VanDerWaalsContact O-CB 3.27Å; K406-K410 WeakPolarHBondContact O-CB 3.21Å; K406-K410 VanDerWaalsContact O-CG 3.26Å; K406-K410 WeakPolarHBondContact O-CG 3.42Å; K406-K410 PolarHBondContact O-N 3.14Å; K406-P416 HydrophobicContact CB-CB 3.86Å; K406-P416 HydrophobicContact CB-CG 3.46Å; K406-P416 VanDerWaalsContact CB-CG 3.46Å; K406-Y548 HydrophobicContact CD-CD1 3.97Å; K406-Y548 HydrophobicContact CD-CE1 4.34Å; K406-I569 HydrophobicContact CB-CG2 3.65Å; K406-I569 HydrophobicContact CD-CG2 4.09Å; K406-I569 HydrophobicContact CG-CG2 4.2Å; K406-R570 WeakPolarHBondContact CG-O 3.2Å; K406-R570 PolarHBondContact N-O 3.48Å; K406-D571 WeakPolarHBondContact CE-OD1 3.38Å; K406-D571 PolarHBondContact N-O 2.95Å; K406-D571 IonicContact NZ-OD1 3.56Å
407S98.4Very high97.9Very high51 Ų5146.3 Ų46.336%0.35724%0.236SC..Hα-helixtrans-61.5-47.3179.5-67.30000111.4G405 Q411 D571G405-S407 PolarHBondContact O-N 2.91Å; G405-S407 VanDerWaalsContact O-N 3.15Å; S407-Q411 WeakPolarHBondContact O-CG 3.17Å; S407-Q411 PolarHBondContact O-N 3.29Å; S407-D571 WeakPolarHBondContact CB-O 3.31Å; S407-D571 PolarHBondContact N-O 3.48Å; S407-D571 WeakPolarHBondContact OG-CB 3.4Å; S407-D571 PolarHBondContact OG-O 3.28Å
408A98.1Very high97.9Very high25 Ų2546 Ų4621%0.20723%0.234CC..Hα-helixtrans-67.3-41.6177.500000112.1F404 G405 K410 Q411 L604F404-A408 HydrophobicContact CB-CB 3.83Å; F404-A408 HydrophobicContact CG-CB 4.44Å; G405-A408 PolarHBondContact O-N 2.83Å; A408-K410 PolarHBondContact O-N 2.88Å; A408-Q411 WeakPolarHBondContact O-CB 3.19Å; A408-Q411 PolarHBondContact O-N 2.94Å; A408-L604 HydrophobicContact CB-CD2 4.47Å
409I98.3Very high97.9Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-63.4-44.7179.9-59.6166.9000110.7F404 G405 K406 Q411 K412 L414 P416 F419 I574F404-I409 HydrophobicContact CD2-CD1 4.31Å; F404-I409 HydrophobicContact CD2-CG1 4.08Å; F404-I409 HydrophobicContact CE2-CD1 4.13Å; F404-I409 HydrophobicContact CE2-CG1 4.02Å; G405-I409 PolarHBondContact O-N 2.89Å; K406-I409 PolarHBondContact O-N 3.47Å; I409-Q411 VanDerWaalsContact C-N 3.34Å; I409-Q411 PolarHBondContact O-N 3.01Å; I409-K412 WeakPolarHBondContact O-CB 3.24Å; I409-K412 PolarHBondContact O-N 2.93Å; I409-L414 HydrophobicContact CG2-CB 3.82Å; I409-L414 PolarHBondContact O-N 2.97Å; I409-P416 HydrophobicContact CD1-CB 4.31Å; I409-P416 HydrophobicContact CG2-CG 4.48Å; I409-F419 HydrophobicContact CD1-CB 4.37Å; I409-F419 HydrophobicContact CD1-CD1 3.96Å; I409-F419 HydrophobicContact CD1-CE1 4.46Å; I409-F419 HydrophobicContact CD1-CG 4.13Å; I409-F419 HydrophobicContact CG1-CD1 4.38Å; I409-F419 HydrophobicContact CG1-CD2 4.47Å; I409-F419 HydrophobicContact CG1-CG 4.33Å; I409-F419 HydrophobicContact CG2-CB 3.91Å; I409-F419 HydrophobicContact CG2-CD2 3.83Å; I409-F419 HydrophobicContact CG2-CG 3.94Å; I409-I574 HydrophobicContact CD1-CD1 4.18Å
410K97.6Very high97.9Very high119 Ų11942.9 Ų42.952%0.51722%0.222SC..Hα-helixtrans-67-31.1179.6-75-177.6176.4-171.10113.1K406 A408 K412 K413 P416K406-K410 VanDerWaalsContact O-CB 3.27Å; K406-K410 WeakPolarHBondContact O-CB 3.21Å; K406-K410 VanDerWaalsContact O-CG 3.26Å; K406-K410 WeakPolarHBondContact O-CG 3.42Å; K406-K410 PolarHBondContact O-N 3.14Å; A408-K410 PolarHBondContact O-N 2.88Å; K410-K412 PolarHBondContact O-N 3.12Å; K410-K413 WeakPolarHBondContact O-CA 3.44Å; K410-K413 PolarHBondContact O-N 2.72Å; K410-P416 HydrophobicContact CD-CG 4.5Å; K410-P416 HydrophobicContact CG-CG 3.99Å
411Q97Very high98Very high153 Ų15342.2 Ų42.272%0.71522%0.217SC*.Hα-helixtrans-59.1-26.9172.4-74.4170.31200112.2S407 A408 I409 K413S407-Q411 WeakPolarHBondContact O-CG 3.17Å; S407-Q411 PolarHBondContact O-N 3.29Å; A408-Q411 WeakPolarHBondContact O-CB 3.19Å; A408-Q411 PolarHBondContact O-N 2.94Å; I409-Q411 VanDerWaalsContact C-N 3.34Å; I409-Q411 PolarHBondContact O-N 3.01Å; Q411-K413 VanDerWaalsContact C-N 3.28Å
412K96.3Very high98.1Very high43 Ų4341.8 Ų41.819%0.18722%0.215CC..THydrogen-bonded Turntrans-87.78.2174.5-53.5-53.8-179.1177.10113.7I409 K410 L414 L604 A607 T608I409-K412 WeakPolarHBondContact O-CB 3.24Å; I409-K412 PolarHBondContact O-N 2.93Å; K410-K412 PolarHBondContact O-N 3.12Å; K412-L414 HydrophobicContact CB-CD1 4.29Å; K412-L414 HydrophobicContact CB-CG 4.28Å; K412-L414 PolarHBondContact O-N 2.82Å; K412-L604 HydrophobicContact CG-CD1 4.18Å; K412-A607 HydrophobicContact CB-CB 4.18Å; K412-A607 HydrophobicContact CG-CB 4.09Å; K412-T608 WeakPolarHBondContact CE-OG1 3.45Å; K412-T608 PolarHBondContact NZ-OG1 3.38Å
413K96.1Very high98.1Very high200 Ų20038 Ų3887%0.8719%0.192SC*.THydrogen-bonded Turntrans58.831-176.3-54.2179.8-179.9178.80113.1K410 Q411K410-K413 WeakPolarHBondContact O-CA 3.44Å; K410-K413 PolarHBondContact O-N 2.72Å; Q411-K413 VanDerWaalsContact C-N 3.28Å
414L97.8Very high98.2Very high11 Ų1135.2 Ų35.26%0.05817%0.169CC..  trans-105.3144.4176.2-61.5177.5000110.1I409 K412 F419 M483 L484 F487 A607I409-L414 HydrophobicContact CG2-CB 3.82Å; I409-L414 PolarHBondContact O-N 2.97Å; K412-L414 HydrophobicContact CB-CD1 4.29Å; K412-L414 HydrophobicContact CB-CG 4.28Å; K412-L414 PolarHBondContact O-N 2.82Å; L414-F419 HydrophobicContact CD1-CD2 3.91Å; L414-F419 HydrophobicContact CD1-CE2 4.14Å; L414-M483 HydrophobicContact CD1-CE 4.36Å; L414-L484 HydrophobicContact CD2-CD2 3.86Å; L414-F487 HydrophobicContact CB-CD1 4.46Å; L414-F487 HydrophobicContact CB-CE1 3.83Å; L414-F487 HydrophobicContact CB-CZ 4.19Å; L414-F487 HydrophobicContact CD1-CE1 4.45Å; L414-F487 HydrophobicContact CD1-CE2 4.36Å; L414-F487 HydrophobicContact CD1-CZ 3.99Å; L414-F487 HydrophobicContact CD2-CD1 3.98Å; L414-F487 HydrophobicContact CD2-CD2 4.28Å; L414-F487 HydrophobicContact CD2-CE1 3.97Å; L414-F487 HydrophobicContact CD2-CE2 4.26Å; L414-F487 HydrophobicContact CD2-CG 4.16Å; L414-F487 HydrophobicContact CD2-CZ 4.11Å; L414-F487 HydrophobicContact CG-CE1 4.28Å; L414-F487 HydrophobicContact CG-CZ 4.32Å; L414-A607 HydrophobicContact CD1-CB 4.02Å
415H98.3Very high98.2Very high77 Ų7734.6 Ų34.636%0.35617%0.166SC..  trans-78.4126.8175.4-170.2-104.9000109.8D417 T418 F419H415-D417 VanDerWaalsContact CE1-CB 3.42Å; H415-D417 WeakPolarHBondContact CE1-CB 3.34Å; H415-D417 WeakPolarHBondContact ND1-CB 3.27Å; H415-D417 PolarHBondContact O-N 2.88Å; H415-T418 PolarHBondContact O-N 3.32Å; H415-F419 WeakPolarHBondContact O-CB 3.48Å; H415-F419 PolarHBondContact O-N 2.74Å
416P98.6Very high98.2Very high0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-61-38-173.2-25.633.7000115.2K406 I409 K410 F419 I420 I569K406-P416 HydrophobicContact CB-CB 3.86Å; K406-P416 HydrophobicContact CB-CG 3.46Å; K406-P416 VanDerWaalsContact CB-CG 3.46Å; I409-P416 HydrophobicContact CD1-CB 4.31Å; I409-P416 HydrophobicContact CG2-CG 4.48Å; K410-P416 HydrophobicContact CD-CG 4.5Å; K410-P416 HydrophobicContact CG-CG 3.99Å; P416-F419 WeakPolarHBondContact O-CB 3.46Å; P416-F419 PolarHBondContact O-N 2.82Å; P416-I420 WeakPolarHBondContact O-CG1 3.44Å; P416-I420 PolarHBondContact O-N 3.09Å; P416-I420 VanDerWaalsContact O-N 3.15Å; P416-I569 HydrophobicContact CB-CD1 3.93Å; P416-I569 HydrophobicContact CB-CG2 4.04Å
417D98.7Very high98.3Very high9 Ų933 Ų335%0.04816%0.159CC..Hα-helixtrans-65.4-51.4179.9-177.150.7000111H415 F419 I420 Q421 L545 Y567 I569H415-D417 VanDerWaalsContact CE1-CB 3.42Å; H415-D417 WeakPolarHBondContact CE1-CB 3.34Å; H415-D417 WeakPolarHBondContact ND1-CB 3.27Å; H415-D417 PolarHBondContact O-N 2.88Å; D417-F419 PolarHBondContact O-N 2.82Å; D417-I420 PolarHBondContact O-N 2.92Å; D417-Q421 WeakPolarHBondContact O-CG 3.46Å; D417-Q421 PolarHBondContact O-N 3.3Å; D417-L545 HydrophobicContact CB-CD2 4.26Å; D417-L545 WeakPolarHBondContact OD1-CB 3Å; D417-Y567 VanDerWaalsContact OD1-CE2 3.26Å; D417-Y567 WeakPolarHBondContact OD1-CE2 3.48Å; D417-Y567 VanDerWaalsContact OD1-CZ 3.31Å; D417-Y567 PolarHBondContact OD1-OH 3.37Å; D417-I569 HydrophobicContact CB-CD1 4.47Å
418T98.8Very high98.3Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-58.2-36.8174.6-49.90000112.4H415 Q421 L422 F487 H490 N491H415-T418 PolarHBondContact O-N 3.32Å; T418-Q421 PolarHBondContact O-N 3.28Å; T418-L422 HydrophobicContact CG2-CD1 4Å; T418-L422 HydrophobicContact CG2-CG 4.36Å; T418-L422 WeakPolarHBondContact O-CB 2.97Å; T418-L422 VanDerWaalsContact O-CG 3.32Å; T418-L422 WeakPolarHBondContact O-CG 3.29Å; T418-L422 PolarHBondContact O-N 3.28Å; T418-F487 HydrophobicContact CG2-CB 4.24Å; T418-F487 HydrophobicContact CG2-CD1 3.29Å; T418-F487 HydrophobicContact CG2-CE1 3.71Å; T418-F487 HydrophobicContact CG2-CG 3.84Å; T418-H490 HydrophobicContact CG2-CB 3.68Å; T418-H490 WeakPolarHBondContact CG2-ND1 3.37Å; T418-H490 PolarHBondContact OG1-CE1 2.75Å; T418-H490 PolarHBondContact OG1-ND1 3.35Å; T418-N491 PolarHBondContact OG1-OD1 3Å
419F98.9Very high98.3Very high0 Ų031.5 Ų31.50%014%0.14CC..Hα-helixtrans-61.4-45.6175.8-171.1-78.5000111.4F404 I409 L414 H415 P416 D417 A423 F487 M600 M603 L604F404-F419 HydrophobicContact CE2-CE1 4.13Å; F404-F419 HydrophobicContact CE2-CZ 4.47Å; F404-F419 HydrophobicContact CZ-CE1 4.27Å; F404-F419 HydrophobicContact CZ-CZ 4.47Å; I409-F419 HydrophobicContact CD1-CB 4.37Å; I409-F419 HydrophobicContact CD1-CD1 3.96Å; I409-F419 HydrophobicContact CD1-CE1 4.46Å; I409-F419 HydrophobicContact CD1-CG 4.13Å; I409-F419 HydrophobicContact CG1-CD1 4.38Å; I409-F419 HydrophobicContact CG1-CD2 4.47Å; I409-F419 HydrophobicContact CG1-CG 4.33Å; I409-F419 HydrophobicContact CG2-CB 3.91Å; I409-F419 HydrophobicContact CG2-CD2 3.83Å; I409-F419 HydrophobicContact CG2-CG 3.94Å; L414-F419 HydrophobicContact CD1-CD2 3.91Å; L414-F419 HydrophobicContact CD1-CE2 4.14Å; H415-F419 WeakPolarHBondContact O-CB 3.48Å; H415-F419 PolarHBondContact O-N 2.74Å; P416-F419 WeakPolarHBondContact O-CB 3.46Å; P416-F419 PolarHBondContact O-N 2.82Å; D417-F419 PolarHBondContact O-N 2.82Å; F419-A423 WeakPolarHBondContact O-CB 3.25Å; F419-A423 PolarHBondContact O-N 2.89Å; F419-F487 HydrophobicContact CB-CE1 4.02Å; F419-F487 HydrophobicContact CB-CZ 3.81Å; F419-F487 AromaticContact CD2-CZ 3.75Å; F419-F487 HydrophobicContact CD2-CZ 3.75Å; F419-F487 HydrophobicContact CG-CZ 4.15Å; F419-M600 HydrophobicContact CD1-CE 3.76Å; F419-M600 HydrophobicContact CD1-SD 3.64Å; F419-M600 HydrophobicContact CE1-CE 3.67Å; F419-M600 HydrophobicContact CE1-SD 3.51Å; F419-M600 VanDerWaalsContact CE1-SD 3.51Å; F419-M603 HydrophobicContact CD1-CE 4.21Å; F419-M603 HydrophobicContact CD2-CE 4.02Å; F419-M603 HydrophobicContact CE1-CB 4.12Å; F419-M603 HydrophobicContact CE1-CE 4.28Å; F419-M603 HydrophobicContact CE2-CB 3.76Å; F419-M603 HydrophobicContact CE2-CE 4.08Å; F419-M603 HydrophobicContact CG-CE 4.08Å; F419-M603 HydrophobicContact CZ-CB 3.39Å; F419-M603 HydrophobicContact CZ-CE 4.22Å; F419-M603 WeakPolarHBondContact O-CE 3.41Å; F419-L604 HydrophobicContact CZ-CB 4.13Å
420I98.9Very high98.3Very high0 Ų033.5 Ų33.50%015%0.148CC..Hα-helixtrans-67.5-43.9178-67.2164.2000110.8P416 D417 L422 A423 M424 F565 Y567 I569 I574 F596 M600P416-I420 WeakPolarHBondContact O-CG1 3.44Å; P416-I420 PolarHBondContact O-N 3.09Å; P416-I420 VanDerWaalsContact O-N 3.15Å; D417-I420 PolarHBondContact O-N 2.92Å; I420-L422 PolarHBondContact O-N 3.05Å; I420-A423 PolarHBondContact O-N 3.12Å; I420-M424 WeakPolarHBondContact O-CB 2.85Å; I420-M424 PolarHBondContact O-N 2.88Å; I420-F565 HydrophobicContact CG2-CE1 4.09Å; I420-Y567 HydrophobicContact CB-CD2 4.39Å; I420-Y567 HydrophobicContact CB-CE2 4.14Å; I420-Y567 HydrophobicContact CD1-CD2 3.57Å; I420-Y567 HydrophobicContact CD1-CE2 3.85Å; I420-Y567 HydrophobicContact CD1-CG 4.28Å; I420-Y567 HydrophobicContact CG2-CD1 3.68Å; I420-Y567 HydrophobicContact CG2-CD2 3.91Å; I420-Y567 HydrophobicContact CG2-CE1 3.68Å; I420-Y567 HydrophobicContact CG2-CE2 3.91Å; I420-Y567 HydrophobicContact CG2-CG 3.8Å; I420-I569 HydrophobicContact CD1-CD1 3.53Å; I420-I569 HydrophobicContact CD1-CG1 3.62Å; I420-I574 HydrophobicContact CD1-CD1 3.86Å; I420-I574 HydrophobicContact CD1-CG1 4.22Å; I420-I574 HydrophobicContact CD1-CG2 3.72Å; I420-I574 HydrophobicContact CG1-CD1 4.09Å; I420-F596 HydrophobicContact CG2-CE2 4.03Å; I420-F596 HydrophobicContact CG2-CZ 3.91Å; I420-M600 HydrophobicContact CG1-CE 4.04Å; I420-M600 HydrophobicContact CG1-SD 4.32Å
421Q98.8Very high98.3Very high0 Ų030.7 Ų30.70%014%0.138CC..Hα-helixtrans-58.9-45.8178.1-75.7-70.7-15.800112.2D417 T418 M424 Q425 E440 P457 S543 Y567D417-Q421 WeakPolarHBondContact O-CG 3.46Å; D417-Q421 PolarHBondContact O-N 3.3Å; T418-Q421 PolarHBondContact O-N 3.28Å; Q421-M424 WeakPolarHBondContact O-CB 3.49Å; Q421-M424 PolarHBondContact O-N 3.4Å; Q421-Q425 WeakPolarHBondContact O-CG 2.76Å; Q421-Q425 PolarHBondContact O-N 3.15Å; Q421-E440 VanDerWaalsContact CD-OE2 3.28Å; Q421-E440 VanDerWaalsContact CG-CD 3.5Å; Q421-E440 VanDerWaalsContact CG-OE1 3.26Å; Q421-E440 WeakPolarHBondContact CG-OE1 3.26Å; Q421-E440 VanDerWaalsContact CG-OE2 3.31Å; Q421-E440 WeakPolarHBondContact CG-OE2 3.42Å; Q421-E440 PolarHBondContact NE2-OE1 2.85Å; Q421-P457 VanDerWaalsContact OE1-CG 3.26Å; Q421-S543 PolarHBondContact NE2-OG 3.35Å; Q421-Y567 WeakPolarHBondContact CG-OH 3.25Å; Q421-Y567 PolarHBondContact NE2-OH 2.92Å
422L98.9Very high98.4Very high1 Ų125 Ų251%0.00511%0.112CC..Hα-helixtrans-67.1-44.7175.5-70.6179.2000111T418 I420 M424 Q425 L426 A462 W465 A486 F487 M603T418-L422 HydrophobicContact CG2-CD1 4Å; T418-L422 HydrophobicContact CG2-CG 4.36Å; T418-L422 WeakPolarHBondContact O-CB 2.97Å; T418-L422 VanDerWaalsContact O-CG 3.32Å; T418-L422 WeakPolarHBondContact O-CG 3.29Å; T418-L422 PolarHBondContact O-N 3.28Å; I420-L422 PolarHBondContact O-N 3.05Å; L422-M424 PolarHBondContact O-N 3.46Å; L422-Q425 WeakPolarHBondContact O-CB 3.47Å; L422-Q425 PolarHBondContact O-N 2.97Å; L422-L426 PolarHBondContact O-N 3.46Å; L422-A462 HydrophobicContact CD2-CB 3.88Å; L422-W465 VanDerWaalsContact C-CZ3 3.44Å; L422-W465 HydrophobicContact CB-CE3 4.21Å; L422-W465 HydrophobicContact CB-CH2 3.63Å; L422-W465 HydrophobicContact CB-CZ3 3.45Å; L422-W465 VanDerWaalsContact CB-CZ3 3.45Å; L422-W465 HydrophobicContact CD2-CE3 4.04Å; L422-W465 HydrophobicContact CD2-CZ3 3.98Å; L422-W465 HydrophobicContact CG-CZ3 4.22Å; L422-W465 WeakPolarHBondContact O-CH2 3.42Å; L422-W465 WeakPolarHBondContact O-CZ3 3.1Å; L422-A486 HydrophobicContact CD1-CB 3.93Å; L422-A486 HydrophobicContact CD2-CB 3.81Å; L422-F487 HydrophobicContact CD1-CB 4.43Å; L422-F487 HydrophobicContact CD1-CD1 4.39Å; L422-F487 HydrophobicContact CD1-CD2 3.3Å; L422-F487 HydrophobicContact CD1-CE2 3.48Å; L422-F487 VanDerWaalsContact CD1-CE2 3.48Å; L422-F487 HydrophobicContact CD1-CG 3.8Å; L422-F487 HydrophobicContact CD1-CZ 4.1Å; L422-M603 HydrophobicContact CB-CE 3.96Å
423A98.9Very high98.5Very high0 Ų030 Ų300%013%0.133CC..Hα-helixtrans-55.4-39.6174.800000112.5F419 I420 L426 A427 F596 C599 M600 M603F419-A423 WeakPolarHBondContact O-CB 3.25Å; F419-A423 PolarHBondContact O-N 2.89Å; I420-A423 PolarHBondContact O-N 3.12Å; A423-L426 PolarHBondContact O-N 3.29Å; A423-A427 WeakPolarHBondContact O-CB 3.44Å; A423-A427 PolarHBondContact O-N 2.76Å; A423-F596 HydrophobicContact CB-CD2 3.96Å; A423-F596 HydrophobicContact CB-CE2 3.6Å; A423-F596 HydrophobicContact CB-CZ 4.45Å; A423-C599 HydrophobicContact CB-CB 4.44Å; A423-M600 HydrophobicContact CB-CG 4.02Å; A423-M600 HydrophobicContact CB-SD 3.42Å; A423-M600 WeakPolarHBondContact CB-SD 3.37Å; A423-M603 WeakPolarHBondContact CA-SD 3.47Å; A423-M603 HydrophobicContact CB-CE 4.31Å; A423-M603 HydrophobicContact CB-SD 3.5Å; A423-M603 WeakPolarHBondContact CB-SD 3.32Å
424M98.8Very high98.5Very high0 Ų024.7 Ų24.70%011%0.11CC..Hα-helixtrans-64.4-43.9173.8179.1-177.160.100112.1I420 Q421 L422 L426 A427 Y428 C438 L541 F565 F596I420-M424 WeakPolarHBondContact O-CB 2.85Å; I420-M424 PolarHBondContact O-N 2.88Å; Q421-M424 WeakPolarHBondContact O-CB 3.49Å; Q421-M424 PolarHBondContact O-N 3.4Å; L422-M424 PolarHBondContact O-N 3.46Å; M424-L426 VanDerWaalsContact C-N 3.34Å; M424-L426 PolarHBondContact O-N 3.46Å; M424-A427 PolarHBondContact O-N 2.86Å; M424-Y428 WeakPolarHBondContact O-CB 3.31Å; M424-Y428 PolarHBondContact O-N 3.28Å; M424-C438 WeakPolarHBondContact CE-SG 3.3Å; M424-L541 HydrophobicContact CE-CD1 4.48Å; M424-L541 HydrophobicContact CG-CD1 4.23Å; M424-L541 HydrophobicContact CG-CD2 4.28Å; M424-L541 HydrophobicContact SD-CD1 4.38Å; M424-L541 HydrophobicContact SD-CD2 4.08Å; M424-F565 HydrophobicContact CB-CE1 4.47Å; M424-F565 HydrophobicContact CB-CE2 4.4Å; M424-F565 HydrophobicContact CB-CZ 4.28Å; M424-F565 HydrophobicContact CG-CD1 4.42Å; M424-F565 HydrophobicContact CG-CD2 3.96Å; M424-F565 HydrophobicContact CG-CE2 4.04Å; M424-F565 HydrophobicContact CG-CG 4.18Å; M424-F565 HydrophobicContact CG-CZ 4.34Å; M424-F565 HydrophobicContact SD-CB 3.55Å; M424-F565 VanDerWaalsContact SD-CB 3.55Å; M424-F565 HydrophobicContact SD-CD1 3.51Å; M424-F565 VanDerWaalsContact SD-CD1 3.51Å; M424-F565 HydrophobicContact SD-CD2 3.68Å; M424-F565 HydrophobicContact SD-CE1 4.1Å; M424-F565 HydrophobicContact SD-CE2 4.23Å; M424-F565 HydrophobicContact SD-CG 3.29Å; M424-F565 WeakPolarHBondContact SD-CG 3.34Å; M424-F565 HydrophobicContact SD-CZ 4.43Å; M424-F596 HydrophobicContact CB-CD2 4.36Å; M424-F596 HydrophobicContact CB-CE2 4.46Å
425Q98.9Very high98.5Very high4 Ų425.6 Ų25.62%0.01912%0.117CC..Hα-helixtrans-58.5-45.4175-70.5-63.1-55.200111.6Q421 L422 Y429 P457 C458Q421-Q425 WeakPolarHBondContact O-CG 2.76Å; Q421-Q425 PolarHBondContact O-N 3.15Å; L422-Q425 WeakPolarHBondContact O-CB 3.47Å; L422-Q425 PolarHBondContact O-N 2.97Å; Q425-Y429 VanDerWaalsContact O-CB 3.31Å; Q425-Y429 WeakPolarHBondContact O-CB 3.17Å; Q425-Y429 PolarHBondContact O-N 3.41Å; Q425-P457 HydrophobicContact CG-CB 4.4Å; Q425-C458 PolarHBondContact OE1-SG 3.4Å
426L98.9Very high98.5Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-64.8-41.2177.2179.461.4000111.9L422 A423 M424 Y429 R430 W465 C466 M469 C599L422-L426 PolarHBondContact O-N 3.46Å; A423-L426 PolarHBondContact O-N 3.29Å; M424-L426 VanDerWaalsContact C-N 3.34Å; M424-L426 PolarHBondContact O-N 3.46Å; L426-Y429 PolarHBondContact O-N 2.87Å; L426-R430 HydrophobicContact CD1-CG 4.38Å; L426-R430 WeakPolarHBondContact O-CB 3.09Å; L426-R430 WeakPolarHBondContact O-CG 3.08Å; L426-R430 PolarHBondContact O-N 2.72Å; L426-W465 HydrophobicContact CB-CH2 3.59Å; L426-W465 HydrophobicContact CB-CZ2 4.26Å; L426-W465 HydrophobicContact CB-CZ3 3.96Å; L426-W465 HydrophobicContact CD2-CH2 4.13Å; L426-W465 HydrophobicContact CD2-CZ2 3.97Å; L426-W465 HydrophobicContact CG-CH2 4.44Å; L426-C466 HydrophobicContact CD1-CB 4.27Å; L426-M469 HydrophobicContact CD1-CB 3.71Å; L426-M469 HydrophobicContact CD1-CG 4.29Å; L426-M469 HydrophobicContact CD2-CB 4.18Å; L426-M469 HydrophobicContact CD2-CE 3.98Å; L426-M469 HydrophobicContact CD2-CG 4.11Å; L426-C599 HydrophobicContact CD2-CB 4.04Å; L426-C599 HydrophobicContact CG-CB 4.37Å
427A98.9Very high98.5Very high0 Ų022.3 Ų22.30%010%0.103CC..Hα-helixtrans-63.6-47.2179.100000112.2A423 M424 R430 L431 L592 V595 F596A423-A427 WeakPolarHBondContact O-CB 3.44Å; A423-A427 PolarHBondContact O-N 2.76Å; M424-A427 PolarHBondContact O-N 2.86Å; A427-R430 PolarHBondContact O-N 3.26Å; A427-L431 WeakPolarHBondContact O-CB 3.26Å; A427-L431 PolarHBondContact O-N 3Å; A427-L592 HydrophobicContact CB-CD1 3.99Å; A427-V595 HydrophobicContact CB-CB 4.39Å; A427-V595 HydrophobicContact CB-CG1 3.98Å; A427-F596 HydrophobicContact CB-CB 3.92Å
428Y98.8Very high98.5Very high6 Ų622 Ų222%0.02410%0.101CC..Hα-helixtrans-60.7-46.8175-173.6-79.9000111.1M424 R430 L431 H432 K434 V540 L541 Y563M424-Y428 WeakPolarHBondContact O-CB 3.31Å; M424-Y428 PolarHBondContact O-N 3.28Å; Y428-R430 VanDerWaalsContact C-N 3.29Å; Y428-R430 PolarHBondContact O-N 3.3Å; Y428-L431 PolarHBondContact O-N 2.74Å; Y428-H432 HydrophobicContact CD1-CB 4.31Å; Y428-H432 AromaticContact CD1-CD2 3.86Å; Y428-H432 AromaticContact CD2-CD2 3.4Å; Y428-H432 WeakPolarHBondContact CD2-CD2 3.26Å; Y428-H432 AromaticContact CD2-NE2 3.87Å; Y428-H432 HydrophobicContact CE1-CB 3.87Å; Y428-H432 AromaticContact CE1-CD2 3.79Å; Y428-H432 AromaticContact CE2-CD2 3.34Å; Y428-H432 WeakPolarHBondContact CE2-CD2 3.47Å; Y428-H432 AromaticContact CE2-NE2 3.77Å; Y428-H432 AromaticContact CG-CD2 3.67Å; Y428-H432 AromaticContact CZ-CD2 3.53Å; Y428-H432 AromaticContact CZ-CG 3.9Å; Y428-H432 PolarHBondContact O-CD2 2.8Å; Y428-H432 PolarHBondContact O-N 2.85Å; Y428-K434 WeakPolarHBondContact CD1-O 3.48Å; Y428-K434 HydrophobicContact CE1-CG 4.31Å; Y428-V540 HydrophobicContact CE1-CG2 4.46Å; Y428-V540 HydrophobicContact CE2-CB 4.42Å; Y428-V540 HydrophobicContact CE2-CG2 3.94Å; Y428-V540 WeakPolarHBondContact OH-CG2 3.25Å; Y428-L541 HydrophobicContact CD2-CD1 3.88Å; Y428-L541 HydrophobicContact CD2-CD2 3.85Å; Y428-L541 HydrophobicContact CD2-CG 3.85Å; Y428-L541 HydrophobicContact CE2-CD2 4.48Å; Y428-L541 HydrophobicContact CE2-CG 4.3Å; Y428-L541 HydrophobicContact CG-CD1 3.95Å; Y428-L541 HydrophobicContact CG-CG 4.43Å; Y428-Y563 HydrophobicContact CD2-CD2 4.32Å; Y428-Y563 HydrophobicContact CD2-CE2 4.14Å; Y428-Y563 HydrophobicContact CE2-CD2 4.18Å; Y428-Y563 AromaticContact CE2-CE2 3.94Å; Y428-Y563 HydrophobicContact CE2-CE2 3.94Å
429Y98.8Very high98.5Very high38 Ų3823.1 Ų23.115%0.14911%0.106CC..Hα-helixtrans-60.7-38.4179.3-165.9-86.5000112.1Q425 L426 K433 P435 V463 C466 K467 M470Q425-Y429 VanDerWaalsContact O-CB 3.31Å; Q425-Y429 WeakPolarHBondContact O-CB 3.17Å; Q425-Y429 PolarHBondContact O-N 3.41Å; L426-Y429 PolarHBondContact O-N 2.87Å; Y429-K433 WeakPolarHBondContact O-CA 3.37Å; Y429-K433 PolarHBondContact O-N 2.61Å; Y429-P435 HydrophobicContact CD2-CG 4.32Å; Y429-P435 HydrophobicContact CE2-CG 4.04Å; Y429-V463 HydrophobicContact CE2-CG1 4.38Å; Y429-C466 HydrophobicContact CD1-CB 4.02Å; Y429-C466 HydrophobicContact CD2-CB 4.14Å; Y429-C466 HydrophobicContact CG-CB 3.8Å; Y429-K467 HydrophobicContact CE1-CG 4.45Å; Y429-K467 WeakPolarHBondContact OH-CE 3.44Å; Y429-K467 WeakPolarHBondContact OH-CG 3.21Å; Y429-M470 HydrophobicContact CD1-CG 4.33Å; Y429-M470 HydrophobicContact CE1-CG 4.45Å
430R98.3Very high98.5Very high42 Ų4223.2 Ų23.216%0.15811%0.106CC..Hα-helixtrans-65-43.8175.4-84.9174.3175.2-174.4-2.7112.9L426 A427 Y428 K433 M470 V595 C599 E602L426-R430 HydrophobicContact CD1-CG 4.38Å; L426-R430 WeakPolarHBondContact O-CB 3.09Å; L426-R430 WeakPolarHBondContact O-CG 3.08Å; L426-R430 PolarHBondContact O-N 2.72Å; A427-R430 PolarHBondContact O-N 3.26Å; Y428-R430 VanDerWaalsContact C-N 3.29Å; Y428-R430 PolarHBondContact O-N 3.3Å; R430-K433 WeakPolarHBondContact O-CD 3.3Å; R430-K433 VanDerWaalsContact O-CE 3.24Å; R430-K433 WeakPolarHBondContact O-CE 3.14Å; R430-K433 PolarHBondContact O-NZ 2.77Å; R430-M470 HydrophobicContact CG-CE 4.26Å; R430-M470 HydrophobicContact CG-SD 3.4Å; R430-M470 WeakPolarHBondContact CG-SD 3.47Å; R430-M470 PolarHBondContact NE-SD 3.05Å; R430-M470 VanDerWaalsContact NE-SD 3.42Å; R430-V595 HydrophobicContact CB-CG1 3.85Å; R430-C599 PolarHBondContact NH1-SG 2.73Å; R430-C599 VanDerWaalsContact NH1-SG 3.37Å; R430-E602 IonicContact CZ-OE1 3.51Å; R430-E602 IonicContact CZ-OE2 3.77Å; R430-E602 VanDerWaalsContact NH1-CD 3.26Å; R430-E602 IonicContact NH1-OE1 2.73Å; R430-E602 PolarHBondContact NH1-OE1 3.31Å; R430-E602 IonicContact NH1-OE2 3.15Å; R430-E602 PolarHBondContact NH1-OE2 3.39Å; R430-E602 VanDerWaalsContact NH1-OE2 3.15Å; R430-E602 IonicContact NH2-OE1 3.62Å; R430-E602 IonicContact NH2-OE2 2.65Å; R430-E602 PolarHBondContact NH2-OE2 2.85Å
431L98.1Very high98.5Very high61 Ų6125.2 Ų25.232%0.31912%0.118SC..Hα-helixtrans-74.7-46.2-175.5-171.559.6000111.4A427 Y428 L592A427-L431 WeakPolarHBondContact O-CB 3.26Å; A427-L431 PolarHBondContact O-N 3Å; Y428-L431 PolarHBondContact O-N 2.74Å; L431-L592 HydrophobicContact CD2-CB 4.32Å; L431-L592 HydrophobicContact CD2-CD1 4.5Å
432H98.1Very high98.5Very high34 Ų3425.2 Ų25.216%0.15712%0.118CC..Hα-helixtrans-102.9-4.8-171.1-56.2-68.4000114.4Y428 K434 Y563 E586Y428-H432 HydrophobicContact CD1-CB 4.31Å; Y428-H432 AromaticContact CD1-CD2 3.86Å; Y428-H432 AromaticContact CD2-CD2 3.4Å; Y428-H432 WeakPolarHBondContact CD2-CD2 3.26Å; Y428-H432 AromaticContact CD2-NE2 3.87Å; Y428-H432 HydrophobicContact CE1-CB 3.87Å; Y428-H432 AromaticContact CE1-CD2 3.79Å; Y428-H432 AromaticContact CE2-CD2 3.34Å; Y428-H432 WeakPolarHBondContact CE2-CD2 3.47Å; Y428-H432 AromaticContact CE2-NE2 3.77Å; Y428-H432 AromaticContact CG-CD2 3.67Å; Y428-H432 AromaticContact CZ-CD2 3.53Å; Y428-H432 AromaticContact CZ-CG 3.9Å; Y428-H432 PolarHBondContact O-CD2 2.8Å; Y428-H432 PolarHBondContact O-N 2.85Å; H432-K434 HydrophobicContact CB-CG 4.15Å; H432-K434 PolarHBondContact O-N 2.75Å; H432-K434 VanDerWaalsContact O-N 3.07Å; H432-Y563 PolarHBondContact CE1-OH 2.97Å; H432-Y563 AromaticContact NE2-CE2 3.47Å; H432-Y563 WeakPolarHBondContact NE2-CE2 3.4Å; H432-Y563 AromaticContact NE2-CZ 3.69Å; H432-Y563 PolarHBondContact NE2-OH 3.29Å; H432-E586 PolarHBondContact CE1-O 2.87Å; H432-E586 PolarHBondContact ND1-O 3.38Å
433K97.6Very high98.5Very high146 Ų14627.8 Ų27.864%0.63513%0.134SC*.SBendtrans57.620.5179.3-49.5-54.9-175.7-166.30114.6Y429 R430Y429-K433 WeakPolarHBondContact O-CA 3.37Å; Y429-K433 PolarHBondContact O-N 2.61Å; R430-K433 WeakPolarHBondContact O-CD 3.3Å; R430-K433 VanDerWaalsContact O-CE 3.24Å; R430-K433 WeakPolarHBondContact O-CE 3.14Å; R430-K433 PolarHBondContact O-NZ 2.77Å
434K97.3Very high98.4Very high90 Ų9028.1 Ų28.139%0.39114%0.136SC..SBendtrans-144.6154.1177.864.9-172.4175.5-175.30110.1Y428 H432 E586Y428-K434 WeakPolarHBondContact CD1-O 3.48Å; Y428-K434 HydrophobicContact CE1-CG 4.31Å; H432-K434 HydrophobicContact CB-CG 4.15Å; H432-K434 PolarHBondContact O-N 2.75Å; H432-K434 VanDerWaalsContact O-N 3.07Å; K434-E586 IonicContact NZ-OE2 3.1Å
435P98.4Very high98.4Very high30 Ų3028.9 Ų28.920%0.19514%0.139CC..  trans-60.7141.7169.7-19.632.5000111.3F42 Y429 V463F42-P435 HydrophobicContact CD1-CB 4.48Å; F42-P435 HydrophobicContact CE1-CB 3.95Å; Y429-P435 HydrophobicContact CD2-CG 4.32Å; Y429-P435 HydrophobicContact CE2-CG 4.04Å; P435-V463 HydrophobicContact CB-CG2 3.76Å; P435-V463 HydrophobicContact CG-CG1 4.08Å; P435-V463 HydrophobicContact CG-CG2 3.79Å
436G98.1Very high98.3Very high1 Ų131.3 Ų31.31%0.0115%0.149CC..  trans-105116.9175.800000111.1C438 C458G436-C438 PolarHBondContact O-N 3.02Å; G436-C458 VanDerWaalsContact O-CB 3.3Å; G436-C458 WeakPolarHBondContact O-CB 3.2Å; G436-C458 PolarHBondContact O-SG 3.2Å; G436-C458 VanDerWaalsContact O-SG 3.39Å
437S98.6Very high98.3Very high6 Ų632.4 Ų32.44%0.04215%0.154CC..  trans-53.7123.7171.159.60000109.3N538 V540 L541S437-N538 PolarHBondContact OG-O 3.5Å; S437-V540 WeakPolarHBondContact O-CG2 3.18Å; S437-V540 PolarHBondContact O-N 3.2Å; S437-V540 VanDerWaalsContact O-N 3.15Å; S437-V540 PolarHBondContact OG-N 2.89Å; S437-L541 PolarHBondContact O-N 3.37Å
438C98.9Very high98.3Very high2 Ų234.6 Ų34.61%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-127.9132.9-171.2-174.60000111.4M424 G436 R456 P457 F539 L541M424-C438 WeakPolarHBondContact CE-SG 3.3Å; G436-C438 PolarHBondContact O-N 3.02Å; C438-R456 WeakPolarHBondContact O-CA 3.48Å; C438-P457 HydrophobicContact CB-CB 4.42Å; C438-P457 HydrophobicContact CB-CG 4.12Å; C438-P457 WeakPolarHBondContact O-CD 3.21Å; C438-F539 WeakPolarHBondContact O-CD1 3.29Å; C438-F539 WeakPolarHBondContact O-CE1 3.38Å; C438-L541 CarbonylContact C-O 3.49Å; C438-L541 VanDerWaalsContact CA-O 3.3Å; C438-L541 WeakPolarHBondContact CA-O 3.41Å; C438-L541 HydrophobicContact CB-CB 3.79Å; C438-L541 HydrophobicContact CB-CD1 4.17Å; C438-L541 PolarHBondContact SG-O 2.75Å
439Y98.8Very high98.3Very high25 Ų2535.6 Ų35.610%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-100.5128.6169.3176-75.6000107.8T441 T454 R505 F539 L541 S543 M558Y439-T441 WeakPolarHBondContact CE1-OG1 3.44Å; Y439-T454 HydrophobicContact CD2-CG2 3.47Å; Y439-T454 VanDerWaalsContact CD2-CG2 3.47Å; Y439-T454 VanDerWaalsContact CD2-OG1 3.26Å; Y439-T454 WeakPolarHBondContact CD2-OG1 3.36Å; Y439-T454 HydrophobicContact CE2-CG2 3.93Å; Y439-T454 WeakPolarHBondContact CE2-OG1 3.32Å; Y439-T454 HydrophobicContact CG-CG2 4.07Å; Y439-R505 PolarHBondContact OH-NH2 3.24Å; Y439-R505 VanDerWaalsContact OH-NH2 3.1Å; Y439-F539 HydrophobicContact CD2-CD2 4.06Å; Y439-F539 AromaticContact CD2-CE2 3.9Å; Y439-F539 HydrophobicContact CD2-CE2 3.9Å; Y439-F539 HydrophobicContact CD2-CZ 4.46Å; Y439-F539 HydrophobicContact CG-CD2 4.37Å; Y439-L541 PolarHBondContact N-O 2.83Å; Y439-S543 WeakPolarHBondContact O-CA 3.36Å; Y439-S543 WeakPolarHBondContact O-CB 3.49Å; Y439-S543 PolarHBondContact O-N 3.45Å; Y439-S543 PolarHBondContact O-OG 2.69Å; Y439-M558 HydrophobicContact CD2-CE 4.43Å; Y439-M558 HydrophobicContact CG-CE 4.46Å
440E98.9Very high98.2Very high1 Ų133.9 Ų33.91%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-123133.4165.4178.9172.2-154.900109.8Q421 A442 M455 P457 H490 M494 S543 Y567Q421-E440 VanDerWaalsContact CD-OE2 3.28Å; Q421-E440 VanDerWaalsContact CG-CD 3.5Å; Q421-E440 VanDerWaalsContact CG-OE1 3.26Å; Q421-E440 WeakPolarHBondContact CG-OE1 3.26Å; Q421-E440 VanDerWaalsContact CG-OE2 3.31Å; Q421-E440 WeakPolarHBondContact CG-OE2 3.42Å; Q421-E440 PolarHBondContact NE2-OE1 2.85Å; E440-A442 PolarHBondContact O-N 3.49Å; E440-M455 HydrophobicContact CB-CB 4.41Å; E440-M455 HydrophobicContact CB-CE 4.02Å; E440-M455 HydrophobicContact CG-CE 4.39Å; E440-M455 PolarHBondContact N-O 3.03Å; E440-M455 PolarHBondContact O-N 2.94Å; E440-M455 WeakPolarHBondContact OE2-CE 3.42Å; E440-P457 HydrophobicContact CB-CG 3.79Å; E440-H490 IonicContact OE2-CD2 3.21Å; E440-H490 IonicContact OE2-CE1 2.81Å; E440-H490 IonicContact OE2-NE2 3.26Å; E440-H490 PolarHBondContact OE2-NE2 2.64Å; E440-M494 VanDerWaalsContact CD-CE 3.46Å; E440-M494 HydrophobicContact CG-CE 3.81Å; E440-S543 WeakPolarHBondContact CA-O 3.45Å; E440-Y567 PolarHBondContact OE1-OH 3.18Å
441T98.7Very high98.1Very high43 Ų4333.3 Ų33.326%0.26416%0.159SC..EExtended strand (participates in β ladder)trans-69.1118.6177.1-58.50000111.2Y439 T452 S543 S544Y439-T441 WeakPolarHBondContact CE1-OG1 3.44Å; T441-T452 HydrophobicContact CG2-CG2 3.52Å; T441-S543 PolarHBondContact N-O 2.89Å; T441-S544 WeakPolarHBondContact CB-OG 3.46Å; T441-S544 PolarHBondContact OG1-OG 2.85Å
442A98.5Very high98.1Very high0 Ų030.8 Ų30.80%015%0.146CC..EExtended strand (participates in β ladder)trans-105.7119.6165.800000109.5E440 T452 E453 M455 M494 A497 Q498E440-A442 PolarHBondContact O-N 3.49Å; A442-T452 CarbonylContact O-C 3.55Å; A442-T452 VanDerWaalsContact O-CA 3.28Å; A442-T452 WeakPolarHBondContact O-CA 3.47Å; A442-E453 HydrophobicContact CB-CB 4.47Å; A442-E453 PolarHBondContact N-O 2.75Å; A442-E453 PolarHBondContact O-N 3.44Å; A442-M455 HydrophobicContact CB-CB 4.38Å; A442-M494 HydrophobicContact CB-CE 4.37Å; A442-M494 HydrophobicContact CB-SD 3.62Å; A442-A497 HydrophobicContact CB-CB 3.61Å; A442-Q498 HydrophobicContact CB-CG 4.24Å
443T97.5Very high98.2Very high55 Ų5529.6 Ų29.634%0.33714%0.141SC..EExtended strand (participates in β ladder)trans-71.1135.2176.8-174.30000111.4R445 Q498T443-R445 WeakPolarHBondContact OG1-CD 3.46Å; T443-R445 VanDerWaalsContact OG1-CG 3.32Å; T443-R445 WeakPolarHBondContact OG1-CG 3.38Å; T443-R445 PolarHBondContact OG1-N 3.26Å; T443-Q498 WeakPolarHBondContact O-CA 3.41Å; T443-Q498 WeakPolarHBondContact O-CG 3.45Å
444T98.3Very high98.2Very high6 Ų622.9 Ų22.94%0.03711%0.112CC..  trans-110.216.8176.749.40000112.4K446 F447 A450 R451 T452 E453 A497T444-K446 PolarHBondContact O-N 3.4Å; T444-F447 VanDerWaalsContact O-CD2 3.23Å; T444-F447 WeakPolarHBondContact O-CD2 3.19Å; T444-F447 PolarHBondContact O-N 3.17Å; T444-A450 WeakPolarHBondContact O-CB 3.38Å; T444-R451 PolarHBondContact N-O 2.99Å; T444-R451 VanDerWaalsContact OG1-C 3.28Å; T444-R451 PolarHBondContact OG1-N 3.34Å; T444-R451 PolarHBondContact OG1-O 3.37Å; T444-T452 PolarHBondContact OG1-N 2.85Å; T444-E453 HydrophobicContact CG2-CB 3.78Å; T444-A497 WeakPolarHBondContact CG2-O 3.36Å
445R98.2Very high98.3Very high17 Ų1718.8 Ų18.86%0.0649%0.094CC..THydrogen-bonded Turntrans-59.9-0.2-177.2-71.8172.760-147.7-1.9115.5L154 D155 T443 F447 A450L154-R445 CarbonylContact C-O 3.55Å; L154-R445 VanDerWaalsContact CA-O 3.29Å; L154-R445 WeakPolarHBondContact CA-O 3.32Å; L154-R445 HydrophobicContact CB-CB 4.19Å; L154-R445 HydrophobicContact CD2-CB 4.37Å; D155-R445 HydrophobicContact CB-CB 4.17Å; D155-R445 HydrophobicContact CB-CG 4.4Å; D155-R445 WeakPolarHBondContact CB-O 3.45Å; D155-R445 PolarHBondContact N-O 3.07Å; D155-R445 VanDerWaalsContact O-CZ 3.27Å; D155-R445 PolarHBondContact O-NE 2.95Å; D155-R445 PolarHBondContact O-NH2 3.34Å; T443-R445 WeakPolarHBondContact OG1-CD 3.46Å; T443-R445 VanDerWaalsContact OG1-CG 3.32Å; T443-R445 WeakPolarHBondContact OG1-CG 3.38Å; T443-R445 PolarHBondContact OG1-N 3.26Å; R445-F447 PolarHBondContact O-N 3.15Å; R445-A450 WeakPolarHBondContact CG-O 3.37Å
446K97.8Very high98.3Very high54 Ų5418.1 Ų18.124%0.2359%0.088CC..THydrogen-bonded Turntrans-65.3-20.1165.4-67.8173.2179164.70112P21 L154 T444 D499P21-K446 WeakPolarHBondContact CD-O 3.47Å; P21-K446 WeakPolarHBondContact CG-O 3.3Å; L154-K446 HydrophobicContact CD2-CG 3.9Å; T444-K446 PolarHBondContact O-N 3.4Å; K446-D499 IonicContact NZ-OD1 2.77Å; K446-D499 PolarHBondContact NZ-OD1 3.36Å
447F98.8Very high98.3Very high24 Ų2418.1 Ų18.111%0.1059%0.087CC..SBendtrans-107.2156.5-179.2-50.2-75.5000111.7P21 P22 L23 P24 T444 R445 H449 A450 D499P21-F447 HydrophobicContact CB-CD1 4.13Å; P21-F447 HydrophobicContact CG-CD1 3.73Å; P21-F447 HydrophobicContact CG-CE1 4.19Å; P21-F447 WeakPolarHBondContact O-CA 3.45Å; P22-F447 VanDerWaalsContact O-CD1 3.23Å; P22-F447 WeakPolarHBondContact O-CD1 3.16Å; L23-F447 HydrophobicContact CB-CB 4.32Å; L23-F447 HydrophobicContact CD1-CB 4.11Å; L23-F447 HydrophobicContact CD1-CD2 3.82Å; L23-F447 HydrophobicContact CD1-CG 4.09Å; P24-F447 VanDerWaalsContact CD-CE1 3.45Å; P24-F447 HydrophobicContact CG-CE1 3.99Å; P24-F447 HydrophobicContact CG-CE2 4.41Å; P24-F447 HydrophobicContact CG-CZ 3.91Å; T444-F447 VanDerWaalsContact O-CD2 3.23Å; T444-F447 WeakPolarHBondContact O-CD2 3.19Å; T444-F447 PolarHBondContact O-N 3.17Å; R445-F447 PolarHBondContact O-N 3.15Å; F447-H449 PolarHBondContact O-N 3.26Å; F447-A450 HydrophobicContact CB-CB 3.75Å; F447-A450 WeakPolarHBondContact O-CB 3.14Å; F447-A450 PolarHBondContact O-N 2.9Å; F447-D499 WeakPolarHBondContact CZ-O 2.73Å
448Y98.8Very high98.3Very high46 Ų4618 Ų1818%0.189%0.087CC..THydrogen-bonded Turntrans-57.7123.9-179.5178.8-106.1000112.4Q17 P21 R78 N79 A450Q17-Y448 VanDerWaalsContact O-CD2 3.31Å; Q17-Y448 WeakPolarHBondContact O-CD2 3.43Å; P21-Y448 PolarHBondContact O-N 2.75Å; R78-Y448 HydrophobicContact CB-CD1 3.38Å; R78-Y448 HydrophobicContact CB-CE1 3.86Å; R78-Y448 HydrophobicContact CB-CG 4.14Å; R78-Y448 HydrophobicContact CG-CD1 4.36Å; R78-Y448 VanDerWaalsContact NH2-CD2 3.25Å; N79-Y448 WeakPolarHBondContact CB-O 3.39Å; N79-Y448 PolarHBondContact ND2-O 3.48Å; Y448-A450 PolarHBondContact O-N 3.41Å
449H98.6Very high98.3Very high27 Ų2718.3 Ų18.313%0.1259%0.089CC..THydrogen-bonded Turntrans54.120.4179-67.6-156.4000113.9N79 E82 D155 D157 F447N79-H449 VanDerWaalsContact ND2-C 3.32Å; N79-H449 PolarHBondContact ND2-O 2.98Å; N79-H449 VanDerWaalsContact ND2-O 3.09Å; E82-H449 WeakPolarHBondContact OE1-CB 3.44Å; E82-H449 IonicContact OE1-CE1 3.86Å; E82-H449 IonicContact OE1-CG 3.44Å; E82-H449 IonicContact OE1-ND1 3.7Å; E82-H449 PolarHBondContact OE1-ND1 2.93Å; E82-H449 IonicContact OE2-CG 3Å; E82-H449 IonicContact OE2-ND1 3.51Å; D155-H449 WeakPolarHBondContact OD2-CA 3.4Å; D155-H449 IonicContact OD2-CD2 3.6Å; D155-H449 PolarHBondContact OD2-N 2.88Å; D157-H449 IonicContact OD1-CE1 3.61Å; D157-H449 IonicContact OD1-NE2 2.91Å; D157-H449 PolarHBondContact OD1-NE2 3.16Å; D157-H449 IonicContact OD2-CE1 2.89Å; D157-H449 IonicContact OD2-ND1 3.75Å; F447-H449 PolarHBondContact O-N 3.26Å
450A95.6Very high98.3Very high1 Ų123 Ų231%0.00811%0.106CC..  trans-81.7140-176.500000110.5L23 T444 R445 F447 Y448L23-A450 HydrophobicContact CD1-CB 4.09Å; T444-A450 WeakPolarHBondContact O-CB 3.38Å; R445-A450 WeakPolarHBondContact CG-O 3.37Å; F447-A450 HydrophobicContact CB-CB 3.75Å; F447-A450 WeakPolarHBondContact O-CB 3.14Å; F447-A450 PolarHBondContact O-N 2.9Å; Y448-A450 PolarHBondContact O-N 3.41Å
451R97.8Very high98.3Very high30 Ų3025.4 Ų25.411%0.11312%0.117CC..  trans-104.4-86.2-177.4-69.1-172.660.1177.16.3110.7Y90 H327 A328 Y330 D331 T444Y90-R451 VanDerWaalsContact CE2-NH1 3.29Å; Y90-R451 PolarHBondContact OH-NH2 3.23Å; H327-R451 PolarHBondContact O-NH2 3.29Å; A328-R451 PolarHBondContact O-NH1 3.04Å; Y330-R451 PolarHBondContact O-NH2 3.38Å; D331-R451 IonicContact OD1-CZ 3.98Å; D331-R451 VanDerWaalsContact OD1-CZ 3.27Å; D331-R451 IonicContact OD1-NE 2.86Å; D331-R451 PolarHBondContact OD1-NE 3.09Å; D331-R451 IonicContact OD1-NH2 3.84Å; D331-R451 PolarHBondContact OD1-NH2 3.48Å; D331-R451 WeakPolarHBondContact OD2-CB 3.18Å; D331-R451 IonicContact OD2-NE 3.5Å; T444-R451 PolarHBondContact N-O 2.99Å; T444-R451 VanDerWaalsContact OG1-C 3.28Å; T444-R451 PolarHBondContact OG1-N 3.34Å; T444-R451 PolarHBondContact OG1-O 3.37Å
452T98.1Very high98.3Very high8 Ų823.3 Ų23.35%0.04911%0.105CC..EExtended strand (participates in β ladder)trans-138.3152.1-17064.60000112.4T441 A442 T444 R505T441-T452 HydrophobicContact CG2-CG2 3.52Å; A442-T452 CarbonylContact O-C 3.55Å; A442-T452 VanDerWaalsContact O-CA 3.28Å; A442-T452 WeakPolarHBondContact O-CA 3.47Å; T444-T452 PolarHBondContact OG1-N 2.85Å; T452-R505 PolarHBondContact O-NE 3.3Å; T452-R505 PolarHBondContact OG1-NH2 3.44Å; T452-R505 VanDerWaalsContact OG1-NH2 3.17Å
453E98.7Very high98.3Very high10 Ų1023.9 Ų23.95%0.04711%0.108CC..EExtended strand (participates in β ladder)trans-117.2159.6159.3177.257.9-75.700108.3A442 T444 A497 G502 F503 D504 R505A442-E453 HydrophobicContact CB-CB 4.47Å; A442-E453 PolarHBondContact N-O 2.75Å; A442-E453 PolarHBondContact O-N 3.44Å; T444-E453 HydrophobicContact CG2-CB 3.78Å; E453-A497 HydrophobicContact CB-CB 4.3Å; E453-A497 HydrophobicContact CG-CB 3.86Å; E453-G502 VanDerWaalsContact OE2-C 3.3Å; E453-G502 WeakPolarHBondContact OE2-CA 3.24Å; E453-F503 PolarHBondContact OE2-N 2.78Å; E453-D504 WeakPolarHBondContact OE1-CB 3.5Å; E453-R505 WeakPolarHBondContact OE1-CG 3.42Å; E453-R505 PolarHBondContact OE1-N 2.96Å; E453-R505 IonicContact OE1-NH1 3Å
454T98.7Very high98.4Very high5 Ų524.6 Ų24.63%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-87.7121.3169.6-58.40000109.9Y439 R456 D504 R505 F539Y439-T454 HydrophobicContact CD2-CG2 3.47Å; Y439-T454 VanDerWaalsContact CD2-CG2 3.47Å; Y439-T454 VanDerWaalsContact CD2-OG1 3.26Å; Y439-T454 WeakPolarHBondContact CD2-OG1 3.36Å; Y439-T454 HydrophobicContact CE2-CG2 3.93Å; Y439-T454 WeakPolarHBondContact CE2-OG1 3.32Å; Y439-T454 HydrophobicContact CG-CG2 4.07Å; T454-R456 HydrophobicContact CG2-CG 3.86Å; T454-D504 HydrophobicContact CG2-CB 4.5Å; T454-R505 PolarHBondContact OG1-NH1 3.47Å; T454-F539 HydrophobicContact CG2-CE2 4.43Å; T454-F539 HydrophobicContact CG2-CZ 3.94Å
455M98.4Very high98.4Very high3 Ų324.3 Ų24.32%0.01511%0.113CC..EExtended strand (participates in β ladder)trans-92.3134.5157.1-160.9-68.1-65.500107.2E440 A442 P457 H490 L493 M494 A497E440-M455 HydrophobicContact CB-CB 4.41Å; E440-M455 HydrophobicContact CB-CE 4.02Å; E440-M455 HydrophobicContact CG-CE 4.39Å; E440-M455 PolarHBondContact N-O 3.03Å; E440-M455 PolarHBondContact O-N 2.94Å; E440-M455 WeakPolarHBondContact OE2-CE 3.42Å; A442-M455 HydrophobicContact CB-CB 4.38Å; M455-P457 HydrophobicContact CE-CB 4.02Å; M455-P457 HydrophobicContact CE-CG 3.52Å; M455-P457 VanDerWaalsContact O-CD 3.29Å; M455-P457 WeakPolarHBondContact O-CD 3.17Å; M455-H490 WeakPolarHBondContact CE-CD2 3.26Å; M455-H490 WeakPolarHBondContact CE-NE2 3.46Å; M455-L493 HydrophobicContact CG-CB 4.02Å; M455-L493 HydrophobicContact SD-CB 3.95Å; M455-L493 HydrophobicContact SD-CD1 4.46Å; M455-M494 HydrophobicContact CB-CE 3.94Å; M455-M494 HydrophobicContact CE-CE 4.22Å; M455-M494 HydrophobicContact CG-CB 4.24Å; M455-M494 HydrophobicContact CG-CE 4.15Å; M455-A497 HydrophobicContact CB-CB 4.41Å
456R98.6Very high98.4Very high16 Ų1623.6 Ų23.66%0.0611%0.111CC..  trans-104.297.2179.3-62.9-168-173.9-161.93.8110.6C438 T454 C458 F503 D504 S533 F539C438-R456 WeakPolarHBondContact O-CA 3.48Å; T454-R456 HydrophobicContact CG2-CG 3.86Å; R456-C458 VanDerWaalsContact C-N 3.28Å; R456-C458 PolarHBondContact O-N 3.01Å; R456-F503 HydrophobicContact CG-CZ 4.47Å; R456-F503 VanDerWaalsContact NE-CZ 3.35Å; R456-D504 IonicContact CZ-OD1 2.75Å; R456-D504 VanDerWaalsContact CZ-OD1 3.29Å; R456-D504 IonicContact CZ-OD2 2.95Å; R456-D504 IonicContact NE-OD1 2.82Å; R456-D504 PolarHBondContact NE-OD1 2.87Å; R456-D504 VanDerWaalsContact NE-OD1 3.12Å; R456-D504 IonicContact NE-OD2 2.67Å; R456-D504 PolarHBondContact NE-OD2 3.2Å; R456-D504 IonicContact NH2-OD1 3.5Å; R456-D504 PolarHBondContact NH2-OD1 3.27Å; R456-D504 IonicContact NH2-OD2 3.01Å; R456-S533 PolarHBondContact NH1-O 3.22Å; R456-S533 PolarHBondContact NH1-OG 2.81Å; R456-F539 HydrophobicContact CG-CE1 4.13Å; R456-F539 HydrophobicContact CG-CZ 4.29Å
457P98.4Very high98.4Very high1 Ų126.6 Ų26.61%0.00612%0.124CC..  trans-66.2-24.6-175.2-19.729.2000114.9Q421 Q425 C438 E440 M455 T459Q421-P457 VanDerWaalsContact OE1-CG 3.26Å; Q425-P457 HydrophobicContact CG-CB 4.4Å; C438-P457 HydrophobicContact CB-CB 4.42Å; C438-P457 HydrophobicContact CB-CG 4.12Å; C438-P457 WeakPolarHBondContact O-CD 3.21Å; E440-P457 HydrophobicContact CB-CG 3.79Å; M455-P457 HydrophobicContact CE-CB 4.02Å; M455-P457 HydrophobicContact CE-CG 3.52Å; M455-P457 VanDerWaalsContact O-CD 3.29Å; M455-P457 WeakPolarHBondContact O-CD 3.17Å; P457-T459 PolarHBondContact O-N 3.1Å
458C98.8Very high98.4Very high4 Ų426.1 Ų26.13%0.02712%0.124CC..  trans-75.674-178.4-160.60000111F42 Q425 G436 R456F42-C458 HydrophobicContact CZ-CB 3.98Å; Q425-C458 PolarHBondContact OE1-SG 3.4Å; G436-C458 VanDerWaalsContact O-CB 3.3Å; G436-C458 WeakPolarHBondContact O-CB 3.2Å; G436-C458 PolarHBondContact O-SG 3.2Å; G436-C458 VanDerWaalsContact O-SG 3.39Å; R456-C458 VanDerWaalsContact C-N 3.28Å; R456-C458 PolarHBondContact O-N 3.01Å
459T98.8Very high98.4Very high9 Ų924.6 Ų24.66%0.05512%0.119CC..  trans-93.6166.8-17958.70000111.5P457 E461 A462 V463 K489 L493P457-T459 PolarHBondContact O-N 3.1Å; T459-E461 WeakPolarHBondContact CB-OE2 3.34Å; T459-E461 PolarHBondContact O-N 3.36Å; T459-A462 PolarHBondContact O-N 3.26Å; T459-A462 WeakPolarHBondContact OG1-CB 3.42Å; T459-A462 PolarHBondContact OG1-N 3.24Å; T459-A462 VanDerWaalsContact OG1-N 3.08Å; T459-V463 WeakPolarHBondContact O-CG2 3.28Å; T459-V463 PolarHBondContact O-N 3.44Å; T459-K489 HydrophobicContact CG2-CG 3.9Å; T459-L493 HydrophobicContact CG2-CD1 3.7Å
460R98.4Very high98.3Very high123 Ų12327 Ų2746%0.46413%0.132SC..Hα-helixtrans-59.3-36.5173-65.7176.467.4-167.81.3111.7H40 P41 S464H40-R460 HydrophobicContact CB-CG 4.07Å; P41-R460 HydrophobicContact CG-CG 4.31Å; R460-S464 VanDerWaalsContact O-CB 3.31Å; R460-S464 WeakPolarHBondContact O-CB 3.47Å; R460-S464 PolarHBondContact O-N 3.25Å; R460-S464 PolarHBondContact O-OG 2.96Å
461E98.8Very high98.3Very high51 Ų5130.3 Ų30.324%0.23815%0.149CC..Hα-helixtrans-67.8-46177.6-63.284.9162.900110.8T459 V463 S464 W465 A486 K489T459-E461 WeakPolarHBondContact CB-OE2 3.34Å; T459-E461 PolarHBondContact O-N 3.36Å; E461-V463 PolarHBondContact O-N 3.26Å; E461-S464 PolarHBondContact O-N 3.05Å; E461-W465 WeakPolarHBondContact O-CB 3.37Å; E461-W465 PolarHBondContact O-N 3.41Å; E461-A486 HydrophobicContact CB-CB 4.24Å; E461-K489 HydrophobicContact CB-CB 4.22Å; E461-K489 HydrophobicContact CG-CB 4.07Å; E461-K489 HydrophobicContact CG-CG 4.35Å; E461-K489 WeakPolarHBondContact OE1-CD 3.24Å
462A98.8Very high98.2Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-61.3-42.8175.200000111.9L422 T459 W465 C466 A486L422-A462 HydrophobicContact CD2-CB 3.88Å; T459-A462 PolarHBondContact O-N 3.26Å; T459-A462 WeakPolarHBondContact OG1-CB 3.42Å; T459-A462 PolarHBondContact OG1-N 3.24Å; T459-A462 VanDerWaalsContact OG1-N 3.08Å; A462-W465 PolarHBondContact O-N 3.38Å; A462-C466 PolarHBondContact O-N 3.49Å; A462-C466 PolarHBondContact O-SG 3.48Å; A462-A486 HydrophobicContact CB-CB 4.47Å
463V98.8Very high98.1Very high11 Ų1138.6 Ų38.67%0.06721%0.214CC..Hα-helixtrans-68-41.3177.2172.70000112P41 Y429 P435 T459 E461 W465 C466 K467P41-V463 HydrophobicContact CB-CG2 4.1Å; Y429-V463 HydrophobicContact CE2-CG1 4.38Å; P435-V463 HydrophobicContact CB-CG2 3.76Å; P435-V463 HydrophobicContact CG-CG1 4.08Å; P435-V463 HydrophobicContact CG-CG2 3.79Å; T459-V463 WeakPolarHBondContact O-CG2 3.28Å; T459-V463 PolarHBondContact O-N 3.44Å; E461-V463 PolarHBondContact O-N 3.26Å; V463-W465 VanDerWaalsContact C-N 3.29Å; V463-W465 PolarHBondContact O-N 3.06Å; V463-C466 PolarHBondContact O-N 3.42Å; V463-K467 HydrophobicContact CG1-CD 4.26Å; V463-K467 WeakPolarHBondContact O-CG 3.44Å; V463-K467 PolarHBondContact O-N 3.39Å
464S98.6Very high98Very high70 Ų7039.3 Ų39.349%0.4922%0.22SC..Hα-helixtrans-59.8-42.1174.3-65.50000111.3R460 E461 K467 A468R460-S464 VanDerWaalsContact O-CB 3.31Å; R460-S464 WeakPolarHBondContact O-CB 3.47Å; R460-S464 PolarHBondContact O-N 3.25Å; R460-S464 PolarHBondContact O-OG 2.96Å; E461-S464 PolarHBondContact O-N 3.05Å; S464-K467 PolarHBondContact O-N 3.03Å; S464-A468 WeakPolarHBondContact O-CB 3.3Å; S464-A468 PolarHBondContact O-N 3.42Å
465W98.6Very high97.8Very high0 Ų043.6 Ų43.60%024%0.243CC..Hα-helixtrans-65-43.3173.9165.260.7000112.6L422 L426 E461 A462 V463 K467 A468 M469 A482 M483 A486 M603L422-W465 VanDerWaalsContact C-CZ3 3.44Å; L422-W465 HydrophobicContact CB-CE3 4.21Å; L422-W465 HydrophobicContact CB-CH2 3.63Å; L422-W465 HydrophobicContact CB-CZ3 3.45Å; L422-W465 VanDerWaalsContact CB-CZ3 3.45Å; L422-W465 HydrophobicContact CD2-CE3 4.04Å; L422-W465 HydrophobicContact CD2-CZ3 3.98Å; L422-W465 HydrophobicContact CG-CZ3 4.22Å; L422-W465 WeakPolarHBondContact O-CH2 3.42Å; L422-W465 WeakPolarHBondContact O-CZ3 3.1Å; L426-W465 HydrophobicContact CB-CH2 3.59Å; L426-W465 HydrophobicContact CB-CZ2 4.26Å; L426-W465 HydrophobicContact CB-CZ3 3.96Å; L426-W465 HydrophobicContact CD2-CH2 4.13Å; L426-W465 HydrophobicContact CD2-CZ2 3.97Å; L426-W465 HydrophobicContact CG-CH2 4.44Å; E461-W465 WeakPolarHBondContact O-CB 3.37Å; E461-W465 PolarHBondContact O-N 3.41Å; A462-W465 PolarHBondContact O-N 3.38Å; V463-W465 VanDerWaalsContact C-N 3.29Å; V463-W465 PolarHBondContact O-N 3.06Å; W465-K467 VanDerWaalsContact C-N 3.29Å; W465-K467 PolarHBondContact O-N 3.19Å; W465-A468 PolarHBondContact O-N 3Å; W465-M469 HydrophobicContact CZ2-CG 4.37Å; W465-M469 VanDerWaalsContact NE1-CG 3.35Å; W465-M469 WeakPolarHBondContact O-CG 3.49Å; W465-M469 PolarHBondContact O-N 3.33Å; W465-A482 HydrophobicContact CB-CB 4Å; W465-M483 VanDerWaalsContact CD1-CB 3.48Å; W465-M483 HydrophobicContact CG-CB 4.21Å; W465-M483 HydrophobicContact CZ2-CG 4.48Å; W465-A486 HydrophobicContact CB-CB 4.23Å; W465-M603 HydrophobicContact CH2-CE 3.96Å; W465-M603 HydrophobicContact CH2-CG 4.38Å; W465-M603 HydrophobicContact CH2-SD 3.56Å; W465-M603 VanDerWaalsContact CH2-SD 3.56Å; W465-M603 HydrophobicContact CZ2-CE 3.92Å; W465-M603 HydrophobicContact CZ2-CG 3.76Å; W465-M603 HydrophobicContact CZ2-SD 3.55Å; W465-M603 VanDerWaalsContact CZ2-SD 3.55Å
466C98.8Very high97.6Very high2 Ų245.6 Ų45.61%0.01426%0.26CS..Hα-helixtrans-58.4-42.7174.8-67.50000111.7L426 Y429 A462 V463 M469 M470L426-C466 HydrophobicContact CD1-CB 4.27Å; Y429-C466 HydrophobicContact CD1-CB 4.02Å; Y429-C466 HydrophobicContact CD2-CB 4.14Å; Y429-C466 HydrophobicContact CG-CB 3.8Å; A462-C466 PolarHBondContact O-N 3.49Å; A462-C466 PolarHBondContact O-SG 3.48Å; V463-C466 PolarHBondContact O-N 3.42Å; C466-M469 PolarHBondContact O-N 3.07Å; C466-M470 VanDerWaalsContact O-CG 3.27Å; C466-M470 WeakPolarHBondContact O-CG 3.28Å; C466-M470 PolarHBondContact O-N 2.97Å
467K98.4Very high97.4Very high117 Ų11749.5 Ų49.551%0.50928%0.282SS..Hα-helixtrans-62.8-46.2175.2-72.6174.7178.9-178.30111.9Y429 V463 S464 W465 M469 M470 D471Y429-K467 HydrophobicContact CE1-CG 4.45Å; Y429-K467 WeakPolarHBondContact OH-CE 3.44Å; Y429-K467 WeakPolarHBondContact OH-CG 3.21Å; V463-K467 HydrophobicContact CG1-CD 4.26Å; V463-K467 WeakPolarHBondContact O-CG 3.44Å; V463-K467 PolarHBondContact O-N 3.39Å; S464-K467 PolarHBondContact O-N 3.03Å; W465-K467 VanDerWaalsContact C-N 3.29Å; W465-K467 PolarHBondContact O-N 3.19Å; K467-M469 VanDerWaalsContact C-N 3.3Å; K467-M469 PolarHBondContact O-N 2.95Å; K467-M470 CarbonylContact O-C 3.59Å; K467-M470 PolarHBondContact O-N 2.85Å; K467-D471 PolarHBondContact O-N 3.49Å
468A98.3Very high97.3Very high14 Ų1450.8 Ų50.812%0.11630%0.295CS..Hα-helixtrans-59.9-38.9177.400000112.6S464 W465 M470 D471 R479 A482S464-A468 WeakPolarHBondContact O-CB 3.3Å; S464-A468 PolarHBondContact O-N 3.42Å; W465-A468 PolarHBondContact O-N 3Å; A468-M470 PolarHBondContact O-N 3.15Å; A468-D471 PolarHBondContact O-N 2.9Å; A468-R479 HydrophobicContact CB-CG 4.35Å; A468-R479 WeakPolarHBondContact O-CG 3.38Å; A468-R479 PolarHBondContact O-NE 3.22Å; A468-A482 HydrophobicContact CB-CB 4.18Å
469M98Very high97.2Very high14 Ų1453.7 Ų53.77%0.06931%0.306CS..Hα-helixtrans-67.6-21.2175.8-73.3-64.4-65.900113.7L426 W465 C466 K467 R479 E602 L606L426-M469 HydrophobicContact CD1-CB 3.71Å; L426-M469 HydrophobicContact CD1-CG 4.29Å; L426-M469 HydrophobicContact CD2-CB 4.18Å; L426-M469 HydrophobicContact CD2-CE 3.98Å; L426-M469 HydrophobicContact CD2-CG 4.11Å; W465-M469 HydrophobicContact CZ2-CG 4.37Å; W465-M469 VanDerWaalsContact NE1-CG 3.35Å; W465-M469 WeakPolarHBondContact O-CG 3.49Å; W465-M469 PolarHBondContact O-N 3.33Å; C466-M469 PolarHBondContact O-N 3.07Å; K467-M469 VanDerWaalsContact C-N 3.3Å; K467-M469 PolarHBondContact O-N 2.95Å; M469-R479 HydrophobicContact SD-CB 4.04Å; M469-R479 HydrophobicContact SD-CG 4.16Å; M469-E602 HydrophobicContact CE-CB 4.27Å; M469-L606 HydrophobicContact SD-CD2 3.75Å
470M96.3Very high97.1Very high79 Ų7954.8 Ų54.839%0.38931%0.309SS..Hα-helixtrans-98.2-12.9179.1-66.9-58.5-58.800113.2Y429 R430 C466 K467 A468 P472Y429-M470 HydrophobicContact CD1-CG 4.33Å; Y429-M470 HydrophobicContact CE1-CG 4.45Å; R430-M470 HydrophobicContact CG-CE 4.26Å; R430-M470 HydrophobicContact CG-SD 3.4Å; R430-M470 WeakPolarHBondContact CG-SD 3.47Å; R430-M470 PolarHBondContact NE-SD 3.05Å; R430-M470 VanDerWaalsContact NE-SD 3.42Å; C466-M470 VanDerWaalsContact O-CG 3.27Å; C466-M470 WeakPolarHBondContact O-CG 3.28Å; C466-M470 PolarHBondContact O-N 2.97Å; K467-M470 CarbonylContact O-C 3.59Å; K467-M470 PolarHBondContact O-N 2.85Å; A468-M470 PolarHBondContact O-N 3.15Å; M470-P472 WeakPolarHBondContact O-CD 3.48Å
471D96.9Very high97Very high70 Ų7052.8 Ų52.837%0.37431%0.314SS..  trans-86.3116.1-177.2-177.43000110.7K467 A468 A473 C474 R479K467-D471 PolarHBondContact O-N 3.49Å; A468-D471 PolarHBondContact O-N 2.9Å; D471-A473 PolarHBondContact O-N 3.29Å; D471-A473 WeakPolarHBondContact OD1-CB 3.42Å; D471-A473 PolarHBondContact OD1-N 2.9Å; D471-C474 HydrophobicContact CB-CB 3.91Å; D471-C474 PolarHBondContact O-N 3.01Å; D471-R479 PolarHBondContact O-NH2 2.81Å
472P95.1Very high97Very high123 Ų12351.5 Ų51.580%0.79931%0.311SS*.THydrogen-bonded Turntrans-66.2-21.1176.528.8-35.4000113.1M470M470-P472 WeakPolarHBondContact O-CD 3.48Å
473A96.6Very high97Very high88 Ų8851.5 Ų51.573%0.72731%0.311SS*.THydrogen-bonded Turntrans-82.9-16.1177.200000113.1D471D471-A473 PolarHBondContact O-N 3.29Å; D471-A473 WeakPolarHBondContact OD1-CB 3.42Å; D471-A473 PolarHBondContact OD1-N 2.9Å
474C95.8Very high97Very high26 Ų2653.9 Ų53.918%0.17632%0.323CS..SBendtrans-82.8120.6178.8-168.70000110.7D471 R479D471-C474 HydrophobicContact CB-CB 3.91Å; D471-C474 PolarHBondContact O-N 3.01Å; C474-R479 HydrophobicContact CB-CG 4.39Å; C474-R479 VanDerWaalsContact O-CZ 3.26Å; C474-R479 PolarHBondContact O-NE 2.95Å; C474-R479 VanDerWaalsContact O-NE 3.11Å; C474-R479 PolarHBondContact O-NH2 3.44Å
475D94.6Very high97Very high95 Ų9553.3 Ų53.351%0.50832%0.319SS..  trans-74.5173.6179.374.9-6.4000112.8N477 G478 R479D475-N477 VanDerWaalsContact C-N 3.26Å; D475-N477 PolarHBondContact O-N 3.38Å; D475-N477 PolarHBondContact OD1-N 3.4Å; D475-G478 PolarHBondContact O-N 2.56Å; D475-G478 PolarHBondContact OD1-N 2.86Å; D475-R479 WeakPolarHBondContact O-CG 3.45Å; D475-R479 PolarHBondContact O-N 2.99Å
476A94.7Very high97Very high45 Ų4553.3 Ų53.337%0.37232%0.319SS..Hα-helixtrans-61.4-34.7-178.600000112.7R480 L606A476-R480 VanDerWaalsContact O-CB 3.31Å; A476-R480 WeakPolarHBondContact O-CB 3.39Å; A476-R480 PolarHBondContact O-N 3.01Å; A476-L606 HydrophobicContact CB-CD1 4.24Å; A476-L606 WeakPolarHBondContact O-CD1 3.19Å
477N93.8Very high97Very high98 Ų9853.3 Ų53.352%0.52432%0.319SS..Hα-helixtrans-70.9-43.2-179.8-72.7-27.9000111.8D475 R480 S481D475-N477 VanDerWaalsContact C-N 3.26Å; D475-N477 PolarHBondContact O-N 3.38Å; D475-N477 PolarHBondContact OD1-N 3.4Å; N477-R480 PolarHBondContact O-N 2.9Å; N477-S481 WeakPolarHBondContact O-CB 3.24Å; N477-S481 PolarHBondContact O-N 3.35Å
478G96.3Very high97Very high27 Ų2753.1 Ų53.128%0.27832%0.324SS..Hα-helixtrans-60.1-47.4173.900000111.9D475 R480 S481 A482D475-G478 PolarHBondContact O-N 2.56Å; D475-G478 PolarHBondContact OD1-N 2.86Å; G478-R480 PolarHBondContact O-N 2.88Å; G478-S481 PolarHBondContact O-N 2.84Å; G478-A482 PolarHBondContact O-N 2.88Å
479R97.8Very high97Very high66 Ų6654.2 Ų54.225%0.24933%0.326CS..Hα-helixtrans-58.8-45.6175.2-70.6174.7-176.3167.78.9112A468 M469 D471 C474 D475 M483 L606A468-R479 HydrophobicContact CB-CG 4.35Å; A468-R479 WeakPolarHBondContact O-CG 3.38Å; A468-R479 PolarHBondContact O-NE 3.22Å; M469-R479 HydrophobicContact SD-CB 4.04Å; M469-R479 HydrophobicContact SD-CG 4.16Å; D471-R479 PolarHBondContact O-NH2 2.81Å; C474-R479 HydrophobicContact CB-CG 4.39Å; C474-R479 VanDerWaalsContact O-CZ 3.26Å; C474-R479 PolarHBondContact O-NE 2.95Å; C474-R479 VanDerWaalsContact O-NE 3.11Å; C474-R479 PolarHBondContact O-NH2 3.44Å; D475-R479 WeakPolarHBondContact O-CG 3.45Å; D475-R479 PolarHBondContact O-N 2.99Å; R479-M483 WeakPolarHBondContact O-CB 3.28Å; R479-M483 PolarHBondContact O-N 3.13Å; R479-L606 HydrophobicContact CB-CD1 3.99Å; R479-L606 HydrophobicContact CB-CD2 3.88Å
480R95.9Very high97.1Very high32 Ų3253.7 Ų53.712%0.12132%0.323CS..Hα-helixtrans-64.3-45178.7-173.7-168.5-174.987.84.3111.6A476 N477 G478 A482 M483 L484 L606 A607 A610A476-R480 VanDerWaalsContact O-CB 3.31Å; A476-R480 WeakPolarHBondContact O-CB 3.39Å; A476-R480 PolarHBondContact O-N 3.01Å; N477-R480 PolarHBondContact O-N 2.9Å; G478-R480 PolarHBondContact O-N 2.88Å; R480-A482 PolarHBondContact O-N 2.82Å; R480-M483 WeakPolarHBondContact O-CB 3.43Å; R480-M483 PolarHBondContact O-N 2.82Å; R480-L484 HydrophobicContact CG-CD1 4.25Å; R480-L484 HydrophobicContact CG-CG 4.45Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 2.99Å; R480-L606 HydrophobicContact CB-CD1 4.35Å; R480-L606 HydrophobicContact CB-CG 4.33Å; R480-L606 PolarHBondContact NH1-O 3.49Å; R480-A607 PolarHBondContact NH1-O 3.29Å; R480-A607 PolarHBondContact NH2-O 3.14Å; R480-A610 HydrophobicContact CB-CB 4.31Å; R480-A610 HydrophobicContact CG-CB 4.48Å
481S97Very high97.2Very high81 Ų8152.7 Ų52.757%0.56632%0.32SS*.Hα-helixtrans-59.9-47179-175.30000111.2N477 G478 M483 L484 S485N477-S481 WeakPolarHBondContact O-CB 3.24Å; N477-S481 PolarHBondContact O-N 3.35Å; G478-S481 PolarHBondContact O-N 2.84Å; S481-M483 VanDerWaalsContact C-N 3.34Å; S481-M483 PolarHBondContact O-N 3.02Å; S481-L484 PolarHBondContact O-N 3.42Å; S481-S485 PolarHBondContact O-N 3.5Å
482A98.4Very high97.3Very high23 Ų2355.2 Ų55.219%0.1933%0.327CS..Hα-helixtrans-61-42.5175.100000111.9W465 A468 G478 R480 S485 A486W465-A482 HydrophobicContact CB-CB 4Å; A468-A482 HydrophobicContact CB-CB 4.18Å; G478-A482 PolarHBondContact O-N 2.88Å; R480-A482 PolarHBondContact O-N 2.82Å; A482-S485 WeakPolarHBondContact O-CB 3.4Å; A482-S485 PolarHBondContact O-N 3.26Å; A482-A486 PolarHBondContact O-N 2.96Å
483M98.3Very high97.4Very high0 Ų050.9 Ų50.90%030%0.297CS..Hα-helixtrans-57.1-53175.5-171.617769.400111L414 W465 R479 R480 S481 S485 A486 F487 M603 L606 A607L414-M483 HydrophobicContact CD1-CE 4.36Å; W465-M483 VanDerWaalsContact CD1-CB 3.48Å; W465-M483 HydrophobicContact CG-CB 4.21Å; W465-M483 HydrophobicContact CZ2-CG 4.48Å; R479-M483 WeakPolarHBondContact O-CB 3.28Å; R479-M483 PolarHBondContact O-N 3.13Å; R480-M483 WeakPolarHBondContact O-CB 3.43Å; R480-M483 PolarHBondContact O-N 2.82Å; S481-M483 VanDerWaalsContact C-N 3.34Å; S481-M483 PolarHBondContact O-N 3.02Å; M483-S485 VanDerWaalsContact C-N 3.28Å; M483-S485 PolarHBondContact O-N 2.96Å; M483-A486 WeakPolarHBondContact O-CB 3.45Å; M483-A486 PolarHBondContact O-N 2.98Å; M483-F487 HydrophobicContact CG-CD2 3.79Å; M483-F487 HydrophobicContact CG-CE2 3.61Å; M483-F487 VanDerWaalsContact O-CD2 3.31Å; M483-F487 WeakPolarHBondContact O-CD2 3.33Å; M483-F487 PolarHBondContact O-N 3.4Å; M483-F487 HydrophobicContact SD-CE2 4.09Å; M483-M603 HydrophobicContact SD-CB 4.47Å; M483-M603 HydrophobicContact SD-CE 4.41Å; M483-M603 HydrophobicContact SD-CG 4.41Å; M483-L606 HydrophobicContact CE-CD2 4.3Å; M483-L606 HydrophobicContact SD-CD2 4.04Å; M483-A607 HydrophobicContact CE-CB 4.37Å
484L98.2Very high97.5Very high61 Ų6147.5 Ų47.532%0.31927%0.266SS..Hα-helixtrans-61.6-35.5-179.1-67.5176.4000112.6L414 R480 S481 F487 N488L414-L484 HydrophobicContact CD2-CD2 3.86Å; R480-L484 HydrophobicContact CG-CD1 4.25Å; R480-L484 HydrophobicContact CG-CG 4.45Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 2.99Å; S481-L484 PolarHBondContact O-N 3.42Å; L484-F487 PolarHBondContact O-N 3.43Å; L484-N488 VanDerWaalsContact O-CG 3.23Å; L484-N488 PolarHBondContact O-N 3.45Å; L484-N488 PolarHBondContact O-ND2 2.94Å
485S98.6Very high97.6Very high58 Ų5849 Ų4941%0.40628%0.277SS..Hα-helixtrans-60.8-45.8172.3-171.10000111.8S481 A482 M483 F487 N488 K489S481-S485 PolarHBondContact O-N 3.5Å; A482-S485 WeakPolarHBondContact O-CB 3.4Å; A482-S485 PolarHBondContact O-N 3.26Å; M483-S485 VanDerWaalsContact C-N 3.28Å; M483-S485 PolarHBondContact O-N 2.96Å; S485-F487 PolarHBondContact O-N 3.17Å; S485-N488 PolarHBondContact O-N 3.42Å; S485-K489 PolarHBondContact O-N 3.06Å
486A98.8Very high97.8Very high0 Ų046.5 Ų46.50%026%0.262CS..Hα-helixtrans-63.1-40.6175.900000112.4L422 E461 A462 W465 A482 M483 N488 K489 H490L422-A486 HydrophobicContact CD1-CB 3.93Å; L422-A486 HydrophobicContact CD2-CB 3.81Å; E461-A486 HydrophobicContact CB-CB 4.24Å; A462-A486 HydrophobicContact CB-CB 4.47Å; W465-A486 HydrophobicContact CB-CB 4.23Å; A482-A486 PolarHBondContact O-N 2.96Å; M483-A486 WeakPolarHBondContact O-CB 3.45Å; M483-A486 PolarHBondContact O-N 2.98Å; A486-N488 PolarHBondContact O-N 2.92Å; A486-K489 PolarHBondContact O-N 2.96Å; A486-H490 WeakPolarHBondContact O-CB 3.38Å; A486-H490 PolarHBondContact O-N 2.93Å
487F98.8Very high98Very high3 Ų344.4 Ų44.41%0.01325%0.245CC..Hα-helixtrans-59.2-46.8173.5-91.2-94000111.7L414 T418 F419 L422 M483 L484 S485 H490 N491 M603L414-F487 HydrophobicContact CB-CD1 4.46Å; L414-F487 HydrophobicContact CB-CE1 3.83Å; L414-F487 HydrophobicContact CB-CZ 4.19Å; L414-F487 HydrophobicContact CD1-CE1 4.45Å; L414-F487 HydrophobicContact CD1-CE2 4.36Å; L414-F487 HydrophobicContact CD1-CZ 3.99Å; L414-F487 HydrophobicContact CD2-CD1 3.98Å; L414-F487 HydrophobicContact CD2-CD2 4.28Å; L414-F487 HydrophobicContact CD2-CE1 3.97Å; L414-F487 HydrophobicContact CD2-CE2 4.26Å; L414-F487 HydrophobicContact CD2-CG 4.16Å; L414-F487 HydrophobicContact CD2-CZ 4.11Å; L414-F487 HydrophobicContact CG-CE1 4.28Å; L414-F487 HydrophobicContact CG-CZ 4.32Å; T418-F487 HydrophobicContact CG2-CB 4.24Å; T418-F487 HydrophobicContact CG2-CD1 3.29Å; T418-F487 HydrophobicContact CG2-CE1 3.71Å; T418-F487 HydrophobicContact CG2-CG 3.84Å; F419-F487 HydrophobicContact CB-CE1 4.02Å; F419-F487 HydrophobicContact CB-CZ 3.81Å; F419-F487 AromaticContact CD2-CZ 3.75Å; F419-F487 HydrophobicContact CD2-CZ 3.75Å; F419-F487 HydrophobicContact CG-CZ 4.15Å; L422-F487 HydrophobicContact CD1-CB 4.43Å; L422-F487 HydrophobicContact CD1-CD1 4.39Å; L422-F487 HydrophobicContact CD1-CD2 3.3Å; L422-F487 HydrophobicContact CD1-CE2 3.48Å; L422-F487 VanDerWaalsContact CD1-CE2 3.48Å; L422-F487 HydrophobicContact CD1-CG 3.8Å; L422-F487 HydrophobicContact CD1-CZ 4.1Å; M483-F487 HydrophobicContact CG-CD2 3.79Å; M483-F487 HydrophobicContact CG-CE2 3.61Å; M483-F487 VanDerWaalsContact O-CD2 3.31Å; M483-F487 WeakPolarHBondContact O-CD2 3.33Å; M483-F487 PolarHBondContact O-N 3.4Å; M483-F487 HydrophobicContact SD-CE2 4.09Å; L484-F487 PolarHBondContact O-N 3.43Å; S485-F487 PolarHBondContact O-N 3.17Å; F487-H490 PolarHBondContact O-N 3.17Å; F487-N491 WeakPolarHBondContact O-CB 3.32Å; F487-N491 VanDerWaalsContact O-CG 3.29Å; F487-N491 PolarHBondContact O-N 2.98Å; F487-N491 PolarHBondContact O-ND2 3.25Å; F487-N491 VanDerWaalsContact O-ND2 3.17Å; F487-M603 HydrophobicContact CE2-CE 4.24Å; F487-M603 HydrophobicContact CZ-CE 4.31Å
488N98.6Very high98.2Very high112 Ų11242.8 Ų42.860%0.59924%0.235SC*.Hα-helixtrans-63.9-43.4-179.3-71.2-23.8000111.7L484 S485 A486 K492L484-N488 VanDerWaalsContact O-CG 3.23Å; L484-N488 PolarHBondContact O-N 3.45Å; L484-N488 PolarHBondContact O-ND2 2.94Å; S485-N488 PolarHBondContact O-N 3.42Å; A486-N488 PolarHBondContact O-N 2.92Å; N488-K492 VanDerWaalsContact O-CB 3.3Å; N488-K492 WeakPolarHBondContact O-CB 3.34Å; N488-K492 PolarHBondContact O-N 3.16Å
489K98.8Very high98.3Very high38 Ų3844.3 Ų44.317%0.16524%0.236CC..Hα-helixtrans-63.3-47.9176.4-176.472165.2-171.20111.3D37 T459 E461 S485 A486 K492 L493D37-K489 IonicContact OD2-NZ 3.27Å; D37-K489 PolarHBondContact OD2-NZ 2.86Å; T459-K489 HydrophobicContact CG2-CG 3.9Å; E461-K489 HydrophobicContact CB-CB 4.22Å; E461-K489 HydrophobicContact CG-CB 4.07Å; E461-K489 HydrophobicContact CG-CG 4.35Å; E461-K489 WeakPolarHBondContact OE1-CD 3.24Å; S485-K489 PolarHBondContact O-N 3.06Å; A486-K489 PolarHBondContact O-N 2.96Å; K489-K492 PolarHBondContact O-N 3.09Å; K489-L493 HydrophobicContact CD-CD1 4.31Å; K489-L493 HydrophobicContact CD-CG 4.38Å; K489-L493 HydrophobicContact CG-CD1 4.1Å; K489-L493 HydrophobicContact CG-CG 4.46Å; K489-L493 WeakPolarHBondContact O-CG 3.4Å; K489-L493 PolarHBondContact O-N 3.43Å
490H98.8Very high98.3Very high2 Ų241.5 Ų41.51%0.00923%0.228CC..Hα-helixtrans-58.7-52.8178.2177.2-75.3000111.7T418 E440 M455 A486 F487 K492 L493 M494T418-H490 HydrophobicContact CG2-CB 3.68Å; T418-H490 WeakPolarHBondContact CG2-ND1 3.37Å; T418-H490 PolarHBondContact OG1-CE1 2.75Å; T418-H490 PolarHBondContact OG1-ND1 3.35Å; E440-H490 IonicContact OE2-CD2 3.21Å; E440-H490 IonicContact OE2-CE1 2.81Å; E440-H490 IonicContact OE2-NE2 3.26Å; E440-H490 PolarHBondContact OE2-NE2 2.64Å; M455-H490 WeakPolarHBondContact CE-CD2 3.26Å; M455-H490 WeakPolarHBondContact CE-NE2 3.46Å; A486-H490 WeakPolarHBondContact O-CB 3.38Å; A486-H490 PolarHBondContact O-N 2.93Å; F487-H490 PolarHBondContact O-N 3.17Å; H490-K492 VanDerWaalsContact C-N 3.29Å; H490-K492 PolarHBondContact O-N 3.05Å; H490-L493 PolarHBondContact O-N 2.88Å; H490-L493 VanDerWaalsContact O-N 3.15Å; H490-M494 WeakPolarHBondContact O-CB 3.41Å; H490-M494 PolarHBondContact O-N 3.49Å
491N98.8Very high98.4Very high59 Ų5943.4 Ų43.432%0.31624%0.24SC..Hα-helixtrans-57.3-42.6179.5-76.3-34.1000112.3T418 F487 S495T418-N491 PolarHBondContact OG1-OD1 3Å; F487-N491 WeakPolarHBondContact O-CB 3.32Å; F487-N491 VanDerWaalsContact O-CG 3.29Å; F487-N491 PolarHBondContact O-N 2.98Å; F487-N491 PolarHBondContact O-ND2 3.25Å; F487-N491 VanDerWaalsContact O-ND2 3.17Å; N491-S495 PolarHBondContact O-N 3.41Å
492K98.7Very high98.4Very high122 Ų12239.8 Ų39.853%0.5322%0.216SC..Hα-helixtrans-61.3-51.1176.3177.2178.3172.5178.30111.1N488 K489 H490 M494 S495 E496N488-K492 VanDerWaalsContact O-CB 3.3Å; N488-K492 WeakPolarHBondContact O-CB 3.34Å; N488-K492 PolarHBondContact O-N 3.16Å; K489-K492 PolarHBondContact O-N 3.09Å; H490-K492 VanDerWaalsContact C-N 3.29Å; H490-K492 PolarHBondContact O-N 3.05Å; K492-M494 VanDerWaalsContact C-N 3.34Å; K492-M494 PolarHBondContact O-N 3.36Å; K492-S495 PolarHBondContact O-N 3.18Å; K492-E496 WeakPolarHBondContact CE-OE1 3.12Å; K492-E496 WeakPolarHBondContact CG-OE1 3.47Å; K492-E496 IonicContact NZ-OE1 3.74Å; K492-E496 WeakPolarHBondContact O-CG 3.41Å; K492-E496 PolarHBondContact O-N 3.37Å
493L98.7Very high98.5Very high32 Ų3239.4 Ų39.417%0.16821%0.21CC..Hα-helixtrans-64.4-38.2-178.9-69.2178.9000112.3M455 T459 K489 H490 E496 A497M455-L493 HydrophobicContact CG-CB 4.02Å; M455-L493 HydrophobicContact SD-CB 3.95Å; M455-L493 HydrophobicContact SD-CD1 4.46Å; T459-L493 HydrophobicContact CG2-CD1 3.7Å; K489-L493 HydrophobicContact CD-CD1 4.31Å; K489-L493 HydrophobicContact CD-CG 4.38Å; K489-L493 HydrophobicContact CG-CD1 4.1Å; K489-L493 HydrophobicContact CG-CG 4.46Å; K489-L493 WeakPolarHBondContact O-CG 3.4Å; K489-L493 PolarHBondContact O-N 3.43Å; H490-L493 PolarHBondContact O-N 2.88Å; H490-L493 VanDerWaalsContact O-N 3.15Å; L493-E496 PolarHBondContact O-N 3.49Å; L493-A497 VanDerWaalsContact O-CB 3.31Å; L493-A497 WeakPolarHBondContact O-CB 3.33Å; L493-A497 PolarHBondContact O-N 2.89Å
494M98.6Very high98.5Very high17 Ų1740.1 Ų40.18%0.08421%0.214CC..Hα-helixtrans-62.8-46.417517955.973.100111.3E440 A442 M455 H490 K492 E496 A497 Q498E440-M494 VanDerWaalsContact CD-CE 3.46Å; E440-M494 HydrophobicContact CG-CE 3.81Å; A442-M494 HydrophobicContact CB-CE 4.37Å; A442-M494 HydrophobicContact CB-SD 3.62Å; M455-M494 HydrophobicContact CB-CE 3.94Å; M455-M494 HydrophobicContact CE-CE 4.22Å; M455-M494 HydrophobicContact CG-CB 4.24Å; M455-M494 HydrophobicContact CG-CE 4.15Å; H490-M494 WeakPolarHBondContact O-CB 3.41Å; H490-M494 PolarHBondContact O-N 3.49Å; K492-M494 VanDerWaalsContact C-N 3.34Å; K492-M494 PolarHBondContact O-N 3.36Å; M494-E496 PolarHBondContact O-N 3.39Å; M494-A497 PolarHBondContact O-N 3.15Å; M494-Q498 WeakPolarHBondContact O-CB 3.15Å; M494-Q498 VanDerWaalsContact O-CG 3.29Å; M494-Q498 WeakPolarHBondContact O-CG 3.41Å; M494-Q498 PolarHBondContact O-N 3.3Å; M494-Q498 HydrophobicContact SD-CG 4.02Å
495S98.3Very high98.5Very high57 Ų5737.8 Ų37.840%0.39920%0.201SC..Hα-helixtrans-59.9-47.5175.3-169.70000111.4N491 K492 A497 Q498 D499N491-S495 PolarHBondContact O-N 3.41Å; K492-S495 PolarHBondContact O-N 3.18Å; S495-A497 VanDerWaalsContact C-N 3.34Å; S495-A497 PolarHBondContact O-N 3.43Å; S495-Q498 PolarHBondContact O-N 3.19Å; S495-D499 WeakPolarHBondContact O-CB 3.47Å; S495-D499 PolarHBondContact O-N 3.44Å
496E98.4Very high98.5Very high43 Ų4335.1 Ų35.120%0.20118%0.182CC..Hα-helixtrans-60.1-43.3178.3-72.6177.3-172.500111.9K34 K492 L493 M494 D499 G500 N501K34-E496 WeakPolarHBondContact CE-OE2 3.35Å; K34-E496 IonicContact NZ-OE2 2.77Å; K34-E496 PolarHBondContact NZ-OE2 2.92Å; K492-E496 WeakPolarHBondContact CE-OE1 3.12Å; K492-E496 WeakPolarHBondContact CG-OE1 3.47Å; K492-E496 IonicContact NZ-OE1 3.74Å; K492-E496 WeakPolarHBondContact O-CG 3.41Å; K492-E496 PolarHBondContact O-N 3.37Å; L493-E496 PolarHBondContact O-N 3.49Å; M494-E496 PolarHBondContact O-N 3.39Å; E496-D499 CarbonylContact O-C 3.5Å; E496-D499 PolarHBondContact O-N 3.05Å; E496-G500 PolarHBondContact O-N 3.08Å; E496-N501 HydrophobicContact CB-CB 4.25Å; E496-N501 CarbonylContact O-C 3.58Å; E496-N501 VanDerWaalsContact O-CA 3.32Å; E496-N501 WeakPolarHBondContact O-CA 3.45Å; E496-N501 WeakPolarHBondContact O-CB 3.48Å; E496-N501 PolarHBondContact O-N 2.83Å
497A98.5Very high98.5Very high2 Ų235.1 Ų35.12%0.01718%0.182CC..Hα-helixtrans-62.9-45.6177.200000112.1A442 T444 E453 M455 L493 M494 S495 D499 G500A442-A497 HydrophobicContact CB-CB 3.61Å; T444-A497 WeakPolarHBondContact CG2-O 3.36Å; E453-A497 HydrophobicContact CB-CB 4.3Å; E453-A497 HydrophobicContact CG-CB 3.86Å; M455-A497 HydrophobicContact CB-CB 4.41Å; L493-A497 VanDerWaalsContact O-CB 3.31Å; L493-A497 WeakPolarHBondContact O-CB 3.33Å; L493-A497 PolarHBondContact O-N 2.89Å; M494-A497 PolarHBondContact O-N 3.15Å; S495-A497 VanDerWaalsContact C-N 3.34Å; S495-A497 PolarHBondContact O-N 3.43Å; A497-D499 PolarHBondContact O-N 3.37Å; A497-G500 PolarHBondContact O-N 3.2Å
498Q97.9Very high98.5Very high64 Ų6436.5 Ų36.530%0.29919%0.189SC..Hα-helixtrans-64-27.4176.9-70.7178.7-9.200113.3A442 T443 M494 S495 G500A442-Q498 HydrophobicContact CB-CG 4.24Å; T443-Q498 WeakPolarHBondContact O-CA 3.41Å; T443-Q498 WeakPolarHBondContact O-CG 3.45Å; M494-Q498 WeakPolarHBondContact O-CB 3.15Å; M494-Q498 VanDerWaalsContact O-CG 3.29Å; M494-Q498 WeakPolarHBondContact O-CG 3.41Å; M494-Q498 PolarHBondContact O-N 3.3Å; M494-Q498 HydrophobicContact SD-CG 4.02Å; S495-Q498 PolarHBondContact O-N 3.19Å; Q498-G500 VanDerWaalsContact C-N 3.26Å
499D98Very high98.5Very high59 Ų5931.1 Ų31.132%0.31616%0.161SC..THydrogen-bonded Turntrans-88.813.6175.1-66.3-30.5000112.7K446 F447 S495 E496 A497 N501K446-D499 IonicContact NZ-OD1 2.77Å; K446-D499 PolarHBondContact NZ-OD1 3.36Å; F447-D499 WeakPolarHBondContact CZ-O 2.73Å; S495-D499 WeakPolarHBondContact O-CB 3.47Å; S495-D499 PolarHBondContact O-N 3.44Å; E496-D499 CarbonylContact O-C 3.5Å; E496-D499 PolarHBondContact O-N 3.05Å; A497-D499 PolarHBondContact O-N 3.37Å; D499-N501 VanDerWaalsContact C-N 3.28Å; D499-N501 PolarHBondContact O-N 2.94Å; D499-N501 PolarHBondContact O-ND2 3.45Å
500G97.8Very high98.5Very high6 Ų629.3 Ų29.36%0.06215%0.153CC..THydrogen-bonded Turntrans72.919.4175.800000113.7P26 E496 A497 Q498P26-G500 WeakPolarHBondContact CG-O 3.31Å; E496-G500 PolarHBondContact O-N 3.08Å; A497-G500 PolarHBondContact O-N 3.2Å; Q498-G500 VanDerWaalsContact C-N 3.26Å
501N98.3Very high98.5Very high72 Ų7232.8 Ų32.839%0.38517%0.166SC..  trans-107.121.5177.6-64.7-62.7000112.6K34 E496 D499K34-N501 PolarHBondContact NZ-O 2.93Å; E496-N501 HydrophobicContact CB-CB 4.25Å; E496-N501 CarbonylContact O-C 3.58Å; E496-N501 VanDerWaalsContact O-CA 3.32Å; E496-N501 WeakPolarHBondContact O-CA 3.45Å; E496-N501 WeakPolarHBondContact O-CB 3.48Å; E496-N501 PolarHBondContact O-N 2.83Å; D499-N501 VanDerWaalsContact C-N 3.28Å; D499-N501 PolarHBondContact O-N 2.94Å; D499-N501 PolarHBondContact O-ND2 3.45Å
502G98.3Very high98.5Very high6 Ų630.3 Ų30.36%0.06215%0.153CC..  trans-68.8-174.7165.400000112P26 E453P26-G502 WeakPolarHBondContact CG-O 3.41Å; E453-G502 VanDerWaalsContact OE2-C 3.3Å; E453-G502 WeakPolarHBondContact OE2-CA 3.24Å
503F98.8Very high98.5Very high14 Ų1425 Ų256%0.06113%0.13CC..SBendtrans-131.8-23.3-177.574.8-93.1000114.3K34 Y35 A38 E453 R456 H506 L507K34-F503 HydrophobicContact CB-CB 4.39Å; K34-F503 HydrophobicContact CB-CD1 3.5Å; K34-F503 HydrophobicContact CB-CE1 3.99Å; K34-F503 HydrophobicContact CB-CG 4.1Å; K34-F503 HydrophobicContact CD-CD1 4.47Å; Y35-F503 HydrophobicContact CD2-CE2 4.04Å; A38-F503 HydrophobicContact CB-CE1 4.19Å; A38-F503 HydrophobicContact CB-CZ 3.72Å; E453-F503 PolarHBondContact OE2-N 2.78Å; R456-F503 HydrophobicContact CG-CZ 4.47Å; R456-F503 VanDerWaalsContact NE-CZ 3.35Å; F503-H506 PolarHBondContact O-N 3.3Å; F503-L507 HydrophobicContact CD2-CD1 3.72Å; F503-L507 HydrophobicContact CD2-CG 4.21Å; F503-L507 HydrophobicContact CE2-CD1 4.15Å; F503-L507 WeakPolarHBondContact O-CG 3.4Å; F503-L507 PolarHBondContact O-N 3.38Å
504D98.8Very high98.5Very high15 Ų1523.5 Ų23.58%0.0812%0.122CC..Hα-helixtrans-61.5-48.6-176.8-81.2-94.6000111.7E453 T454 R456 H506 L507 L508E453-D504 WeakPolarHBondContact OE1-CB 3.5Å; T454-D504 HydrophobicContact CG2-CB 4.5Å; R456-D504 IonicContact CZ-OD1 2.75Å; R456-D504 VanDerWaalsContact CZ-OD1 3.29Å; R456-D504 IonicContact CZ-OD2 2.95Å; R456-D504 IonicContact NE-OD1 2.82Å; R456-D504 PolarHBondContact NE-OD1 2.87Å; R456-D504 VanDerWaalsContact NE-OD1 3.12Å; R456-D504 IonicContact NE-OD2 2.67Å; R456-D504 PolarHBondContact NE-OD2 3.2Å; R456-D504 IonicContact NH2-OD1 3.5Å; R456-D504 PolarHBondContact NH2-OD1 3.27Å; R456-D504 IonicContact NH2-OD2 3.01Å; D504-H506 VanDerWaalsContact C-N 3.32Å; D504-H506 PolarHBondContact O-N 2.57Å; D504-L507 PolarHBondContact O-N 2.78Å; D504-L508 PolarHBondContact O-N 3.39Å
505R98.6Very high98.4Very high13 Ų1328 Ų285%0.04914%0.142CC..Hα-helixtrans-67.1-33.5176.1-62.1-55.2175.8-78.2-2.9112.8W80 L81 Y439 T452 E453 T454 L508 G509W80-R505 HydrophobicContact CH2-CB 4.48Å; W80-R505 WeakPolarHBondContact CH2-O 3.46Å; L81-R505 HydrophobicContact CD1-CB 4.33Å; L81-R505 HydrophobicContact CD2-CB 3.64Å; L81-R505 HydrophobicContact CD2-CG 3.65Å; Y439-R505 PolarHBondContact OH-NH2 3.24Å; Y439-R505 VanDerWaalsContact OH-NH2 3.1Å; T452-R505 PolarHBondContact O-NE 3.3Å; T452-R505 PolarHBondContact OG1-NH2 3.44Å; T452-R505 VanDerWaalsContact OG1-NH2 3.17Å; E453-R505 WeakPolarHBondContact OE1-CG 3.42Å; E453-R505 PolarHBondContact OE1-N 2.96Å; E453-R505 IonicContact OE1-NH1 3Å; T454-R505 PolarHBondContact OG1-NH1 3.47Å; R505-L508 PolarHBondContact O-N 3.12Å; R505-G509 PolarHBondContact O-N 2.77Å
506H98.9Very high98.4Very high1 Ų131.1 Ų31.11%0.00515%0.15CC..Hα-helixtrans-62.8-50.6174.8-176.8-169.3000111P26 S31 H67 L70 F503 D504 L508 G509 L510P26-H506 HydrophobicContact CG-CB 4.06Å; P26-H506 PolarHBondContact O-CE1 2.98Å; P26-H506 PolarHBondContact O-ND1 3.44Å; S31-H506 WeakPolarHBondContact CB-ND1 3.4Å; S31-H506 PolarHBondContact OG-ND1 2.78Å; H67-H506 AromaticContact CE1-CE1 3.66Å; H67-H506 AromaticContact CE1-NE2 3.61Å; H67-H506 AromaticContact ND1-CE1 3.37Å; H67-H506 PolarHBondContact ND1-CE1 2.89Å; H67-H506 AromaticContact ND1-NE2 2.97Å; H67-H506 PolarHBondContact ND1-NE2 3.45Å; L70-H506 WeakPolarHBondContact CD2-CD2 3.44Å; F503-H506 PolarHBondContact O-N 3.3Å; D504-H506 VanDerWaalsContact C-N 3.32Å; D504-H506 PolarHBondContact O-N 2.57Å; H506-L508 VanDerWaalsContact C-N 3.28Å; H506-L508 PolarHBondContact O-N 2.75Å; H506-G509 WeakPolarHBondContact O-CA 3.27Å; H506-G509 PolarHBondContact O-N 2.97Å; H506-L510 WeakPolarHBondContact O-CG 3.2Å; H506-L510 PolarHBondContact O-N 2.8Å
507L98.9Very high98.3Very high1 Ų133 Ų331%0.00516%0.159CC..Hα-helixtrans-60.5-38.2177.4-69.9-171.3000112L32 Y35 F503 D504 L510 Y511 L524 F525 Y530L32-L507 HydrophobicContact CD2-CD2 4.16Å; Y35-L507 HydrophobicContact CD2-CD1 3.91Å; Y35-L507 HydrophobicContact CG-CD1 4.15Å; F503-L507 HydrophobicContact CD2-CD1 3.72Å; F503-L507 HydrophobicContact CD2-CG 4.21Å; F503-L507 HydrophobicContact CE2-CD1 4.15Å; F503-L507 WeakPolarHBondContact O-CG 3.4Å; F503-L507 PolarHBondContact O-N 3.38Å; D504-L507 PolarHBondContact O-N 2.78Å; L507-L510 HydrophobicContact CD2-CD1 4.3Å; L507-L510 PolarHBondContact O-N 3.33Å; L507-Y511 PolarHBondContact O-N 3.26Å; L507-L524 HydrophobicContact CD2-CD2 4.19Å; L507-F525 HydrophobicContact CB-CE1 4.19Å; L507-F525 WeakPolarHBondContact O-CE1 3.29Å; L507-F525 WeakPolarHBondContact O-CZ 3.47Å; L507-Y530 HydrophobicContact CD1-CE2 4.28Å
508L98.8Very high98.2Very high31 Ų3136.2 Ų36.216%0.16219%0.192CC..Hα-helixtrans-58.8-47.4170.9176.663.2000111.5W85 D504 R505 H506 L510 Y511 L512W85-L508 HydrophobicContact CE3-CD2 3.8Å; W85-L508 HydrophobicContact CZ3-CD2 4.06Å; D504-L508 PolarHBondContact O-N 3.39Å; R505-L508 PolarHBondContact O-N 3.12Å; H506-L508 VanDerWaalsContact C-N 3.28Å; H506-L508 PolarHBondContact O-N 2.75Å; L508-L510 VanDerWaalsContact C-N 3.3Å; L508-L510 PolarHBondContact O-N 2.96Å; L508-Y511 HydrophobicContact CD1-CD1 4.32Å; L508-Y511 WeakPolarHBondContact O-CB 3.45Å; L508-Y511 PolarHBondContact O-N 2.82Å; L508-Y511 VanDerWaalsContact O-N 3.16Å; L508-L512 HydrophobicContact CD1-CD1 3.95Å; L508-L512 HydrophobicContact CD1-CD2 4.37Å; L508-L512 HydrophobicContact CD1-CG 3.97Å; L508-L512 HydrophobicContact CG-CD1 3.88Å; L508-L512 HydrophobicContact CG-CG 4.29Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.26Å; L508-L512 PolarHBondContact O-N 3.25Å
509G98.8Very high98.2Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-56.6-42.6176.600000112.8R505 H506 L512 I513R505-G509 PolarHBondContact O-N 2.77Å; H506-G509 WeakPolarHBondContact O-CA 3.27Å; H506-G509 PolarHBondContact O-N 2.97Å; G509-L512 PolarHBondContact O-N 2.94Å; G509-I513 WeakPolarHBondContact O-CG1 3.45Å; G509-I513 PolarHBondContact O-N 3.43Å
510L98.8Very high98.1Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-64.8-42.9176.1-56.8-175.5000112.1L28 F58 L66 H67 L70 H506 L507 L508 L512 A514 F525L28-L510 HydrophobicContact CD1-CD1 3.79Å; F58-L510 HydrophobicContact CE1-CD1 3.9Å; F58-L510 HydrophobicContact CZ-CB 4.45Å; F58-L510 HydrophobicContact CZ-CD1 4.01Å; L66-L510 HydrophobicContact CB-CB 4.31Å; L66-L510 HydrophobicContact CB-CD2 4.05Å; H67-L510 HydrophobicContact CB-CD2 3.98Å; L70-L510 HydrophobicContact CB-CD2 4.25Å; L70-L510 HydrophobicContact CD2-CD2 3.97Å; H506-L510 WeakPolarHBondContact O-CG 3.2Å; H506-L510 PolarHBondContact O-N 2.8Å; L507-L510 HydrophobicContact CD2-CD1 4.3Å; L507-L510 PolarHBondContact O-N 3.33Å; L508-L510 VanDerWaalsContact C-N 3.3Å; L508-L510 PolarHBondContact O-N 2.96Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-A514 PolarHBondContact O-N 3Å; L510-A514 VanDerWaalsContact O-N 3.17Å; L510-F525 HydrophobicContact CB-CZ 4.28Å
511Y98.7Very high98.1Very high75 Ų7543 Ų4329%0.29423%0.232SC..Hα-helixtrans-59.9-43.7175.2169.6-100.3000111.9L507 L508 A514 K515 T521 F525L507-Y511 PolarHBondContact O-N 3.26Å; L508-Y511 HydrophobicContact CD1-CD1 4.32Å; L508-Y511 WeakPolarHBondContact O-CB 3.45Å; L508-Y511 PolarHBondContact O-N 2.82Å; L508-Y511 VanDerWaalsContact O-N 3.16Å; Y511-A514 WeakPolarHBondContact O-CB 3.33Å; Y511-A514 PolarHBondContact O-N 3.27Å; Y511-K515 HydrophobicContact CE1-CD 4.48Å; Y511-K515 PolarHBondContact O-N 3.45Å; Y511-T521 HydrophobicContact CD2-CG2 4.4Å; Y511-T521 HydrophobicContact CE2-CG2 4.04Å; Y511-F525 HydrophobicContact CD2-CB 4.31Å; Y511-F525 HydrophobicContact CD2-CD1 4.45Å; Y511-F525 AromaticContact CD2-CD2 4Å; Y511-F525 HydrophobicContact CD2-CD2 4Å; Y511-F525 HydrophobicContact CD2-CE2 4.43Å; Y511-F525 HydrophobicContact CD2-CG 4.01Å
512L98.6Very high98.1Very high7 Ų740.1 Ų40.14%0.03722%0.217CC..Hα-helixtrans-68.6-38.2-178.3-67175.3000112.6W84 T88 L508 G509 L510 A514 K515 E516W84-L512 HydrophobicContact CB-CD1 3.55Å; W84-L512 HydrophobicContact CD2-CB 4.17Å; W84-L512 HydrophobicContact CD2-CD1 3.8Å; W84-L512 HydrophobicContact CE3-CB 4.48Å; W84-L512 HydrophobicContact CE3-CD1 4.19Å; W84-L512 HydrophobicContact CG-CD1 3.54Å; W84-L512 HydrophobicContact CZ2-CB 4.34Å; T88-L512 HydrophobicContact CG2-CD1 3.91Å; T88-L512 HydrophobicContact CG2-CD2 3.64Å; T88-L512 HydrophobicContact CG2-CG 4.44Å; L508-L512 HydrophobicContact CD1-CD1 3.95Å; L508-L512 HydrophobicContact CD1-CD2 4.37Å; L508-L512 HydrophobicContact CD1-CG 3.97Å; L508-L512 HydrophobicContact CG-CD1 3.88Å; L508-L512 HydrophobicContact CG-CG 4.29Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.26Å; L508-L512 PolarHBondContact O-N 3.25Å; G509-L512 PolarHBondContact O-N 2.94Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L512-A514 VanDerWaalsContact C-N 3.3Å; L512-A514 PolarHBondContact O-N 3.08Å; L512-K515 HydrophobicContact CD2-CD 4.4Å; L512-K515 PolarHBondContact O-N 2.93Å; L512-E516 WeakPolarHBondContact O-CB 3.2Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 3.37Å
513I98.6Very high98Very high9 Ų945.1 Ų45.15%0.04624%0.239CC..Hα-helixtrans-59.4-44.9171.4-66.8169.4000110.3L66 K69 L70 W84 G509 K515 E516 E517L66-I513 HydrophobicContact CD2-CB 4.01Å; L66-I513 HydrophobicContact CD2-CG2 3.55Å; L66-I513 WeakPolarHBondContact O-CD1 3.32Å; K69-I513 HydrophobicContact CB-CD1 4.08Å; K69-I513 HydrophobicContact CB-CG2 3.97Å; K69-I513 HydrophobicContact CD-CG2 4Å; L70-I513 HydrophobicContact CB-CD1 3.6Å; L70-I513 HydrophobicContact CD1-CD1 4.03Å; L70-I513 HydrophobicContact CG-CD1 4.4Å; W84-I513 HydrophobicContact CH2-CD1 4.07Å; W84-I513 HydrophobicContact CH2-CG1 3.48Å; W84-I513 VanDerWaalsContact CH2-CG1 3.48Å; W84-I513 HydrophobicContact CZ2-CG1 4.13Å; W84-I513 HydrophobicContact CZ3-CG1 4.37Å; G509-I513 WeakPolarHBondContact O-CG1 3.45Å; G509-I513 PolarHBondContact O-N 3.43Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 3.02Å; I513-E516 PolarHBondContact O-N 2.85Å; I513-E517 WeakPolarHBondContact O-CG 3.4Å; I513-E517 PolarHBondContact O-N 3.23Å; I513-E517 VanDerWaalsContact O-N 3.08Å
514A98.3Very high98Very high1 Ų144.5 Ų44.51%0.00824%0.236CC..Hα-helixtrans-60.5-42.7177.900000111.6L66 L510 Y511 L512 E517 G518 R519 P522L66-A514 HydrophobicContact CD1-CB 4.02Å; L66-A514 HydrophobicContact CD2-CB 3.9Å; L510-A514 PolarHBondContact O-N 3Å; L510-A514 VanDerWaalsContact O-N 3.17Å; Y511-A514 WeakPolarHBondContact O-CB 3.33Å; Y511-A514 PolarHBondContact O-N 3.27Å; L512-A514 VanDerWaalsContact C-N 3.3Å; L512-A514 PolarHBondContact O-N 3.08Å; A514-E517 PolarHBondContact O-N 2.92Å; A514-G518 PolarHBondContact O-N 3.48Å; A514-R519 HydrophobicContact CB-CB 4.36Å; A514-R519 WeakPolarHBondContact O-CB 3.43Å; A514-R519 PolarHBondContact O-N 3.31Å; A514-P522 HydrophobicContact CB-CG 4.11Å
515K97.3Very high98Very high112 Ų11244.8 Ų44.849%0.48724%0.237SC..Hα-helixtrans-62.8-47.6177.1-175.6-174.1175.2-167.20112E92 Y511 L512 I513 E517 G518E92-K515 IonicContact OE2-NZ 3.5Å; Y511-K515 HydrophobicContact CE1-CD 4.48Å; Y511-K515 PolarHBondContact O-N 3.45Å; L512-K515 HydrophobicContact CD2-CD 4.4Å; L512-K515 PolarHBondContact O-N 2.93Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 3.02Å; K515-E517 VanDerWaalsContact C-N 3.26Å; K515-E517 PolarHBondContact O-N 3.22Å; K515-G518 PolarHBondContact O-N 3.03Å
516E96.9Very high97.9Very high123 Ų12348.2 Ų48.258%0.57526%0.262SS*.Hα-helixtrans-62.5-33.5179.7-75.1-178.7170.900112.5W84 L512 I513 G518W84-E516 WeakPolarHBondContact CZ2-OE2 3.25Å; W84-E516 PolarHBondContact NE1-OE1 2.94Å; L512-E516 WeakPolarHBondContact O-CB 3.2Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 3.37Å; I513-E516 PolarHBondContact O-N 2.85Å; E516-G518 PolarHBondContact O-N 3.32Å
517E97.2Very high97.9Very high83 Ų8348.8 Ų48.839%0.38827%0.266SS..THydrogen-bonded Turntrans-81.31.2176-66.6-166165.800114.2K69 I513 A514 K515 R519K69-E517 WeakPolarHBondContact CD-OE1 3.33Å; K69-E517 WeakPolarHBondContact CE-OE1 3.17Å; K69-E517 IonicContact NZ-OE1 3.74Å; K69-E517 PolarHBondContact NZ-OE1 3.42Å; K69-E517 IonicContact NZ-OE2 2.67Å; K69-E517 PolarHBondContact NZ-OE2 3.46Å; I513-E517 WeakPolarHBondContact O-CG 3.4Å; I513-E517 PolarHBondContact O-N 3.23Å; I513-E517 VanDerWaalsContact O-N 3.08Å; A514-E517 PolarHBondContact O-N 2.92Å; K515-E517 VanDerWaalsContact C-N 3.26Å; K515-E517 PolarHBondContact O-N 3.22Å; E517-R519 HydrophobicContact CB-CG 3.95Å; E517-R519 PolarHBondContact O-N 2.72Å; E517-R519 IonicContact OE2-CZ 3.72Å; E517-R519 IonicContact OE2-NE 2.63Å; E517-R519 PolarHBondContact OE2-NE 3.36Å; E517-R519 IonicContact OE2-NH2 2.79Å; E517-R519 PolarHBondContact OE2-NH2 3.06Å
518G97.1Very high97.9Very high68 Ų6852.5 Ų52.570%0.70129%0.289SS*.THydrogen-bonded Turntrans63.323.4-17600000113.2A514 K515 E516A514-G518 PolarHBondContact O-N 3.48Å; K515-G518 PolarHBondContact O-N 3.03Å; E516-G518 PolarHBondContact O-N 3.32Å
519R96.1Very high97.9Very high81 Ų8151 Ų5131%0.30628%0.282SS..PPolyproline II helixtrans-73.5151.2176.1-65.2-178.5-178.7-123.6-1.3110.1E65 A514 E517 T521E65-R519 IonicContact OE2-CZ 3.83Å; E65-R519 IonicContact OE2-NH1 2.8Å; E65-R519 PolarHBondContact OE2-NH1 2.93Å; E65-R519 IonicContact OE2-NH2 3.85Å; A514-R519 HydrophobicContact CB-CB 4.36Å; A514-R519 WeakPolarHBondContact O-CB 3.43Å; A514-R519 PolarHBondContact O-N 3.31Å; E517-R519 HydrophobicContact CB-CG 3.95Å; E517-R519 PolarHBondContact O-N 2.72Å; E517-R519 IonicContact OE2-CZ 3.72Å; E517-R519 IonicContact OE2-NE 2.63Å; E517-R519 PolarHBondContact OE2-NE 3.36Å; E517-R519 IonicContact OE2-NH2 2.79Å; E517-R519 PolarHBondContact OE2-NH2 3.06Å; R519-T521 PolarHBondContact O-N 3.29Å
520P96.4Very high97.9Very high118 Ų11852.4 Ų52.477%0.76629%0.287SS*.PPolyproline II helixtrans-54.8141.5165.1-21.732.6000110.4P522P520-P522 VanDerWaalsContact O-CD 3.25Å; P520-P522 WeakPolarHBondContact O-CD 3.43Å; P520-P522 VanDerWaalsContact O-N 3.16Å
521T97.3Very high97.8Very high73 Ų7354.9 Ų54.945%0.44831%0.305SS..PPolyproline II helixtrans-53.8120.4174.8-600000109.7Y511 R519 F525Y511-T521 HydrophobicContact CD2-CG2 4.4Å; Y511-T521 HydrophobicContact CE2-CG2 4.04Å; R519-T521 PolarHBondContact O-N 3.29Å; T521-F525 HydrophobicContact CG2-CB 3.86Å; T521-F525 HydrophobicContact CG2-CD2 4.49Å
522P98.1Very high97.8Very high11 Ų1156.4 Ų56.47%0.07131%0.31CS..PPolyproline II helixtrans-57.8141.5178.1-2734.6000112F58 V62 L66 A514 P520 L524 F525F58-P522 HydrophobicContact CD2-CB 3.89Å; F58-P522 HydrophobicContact CE2-CB 3.61Å; F58-P522 HydrophobicContact CE2-CG 4.05Å; V62-P522 HydrophobicContact CG1-CB 4.19Å; V62-P522 HydrophobicContact CG1-CG 4.37Å; L66-P522 HydrophobicContact CD1-CG 4.05Å; A514-P522 HydrophobicContact CB-CG 4.11Å; P520-P522 VanDerWaalsContact O-CD 3.25Å; P520-P522 WeakPolarHBondContact O-CD 3.43Å; P520-P522 VanDerWaalsContact O-N 3.16Å; P522-L524 PolarHBondContact O-N 3.23Å; P522-F525 HydrophobicContact CB-CD2 3.79Å; P522-F525 HydrophobicContact CB-CE2 3.91Å; P522-F525 HydrophobicContact CG-CD2 3.97Å; P522-F525 HydrophobicContact CG-CE2 3.86Å; P522-F525 PolarHBondContact O-N 3.05Å
523E97.9Very high97.8Very high112 Ų11256.1 Ų56.152%0.52331%0.309SS..G310 helixtrans-51.3-34.3-175.3-172.2180-174.400113I54 F525 S526 D527I54-E523 HydrophobicContact CD1-CG 4.09Å; I54-E523 HydrophobicContact CG1-CG 4.13Å; I54-E523 HydrophobicContact CG2-CB 4.2Å; I54-E523 HydrophobicContact CG2-CG 4.06Å; E523-F525 PolarHBondContact O-N 2.93Å; E523-F525 VanDerWaalsContact O-N 3.15Å; E523-S526 CarbonylContact O-C 3.55Å; E523-S526 PolarHBondContact O-N 3.15Å; E523-D527 PolarHBondContact O-N 2.87Å
524L98.5Very high97.8Very high1 Ų155.7 Ų55.71%0.00531%0.306CS..G310 helixtrans-49.4-39.4174.4179.865.3000113.6L32 Y35 I54 V55 F58 L507 P522 Y530L32-L524 HydrophobicContact CD2-CD2 4.04Å; Y35-L524 HydrophobicContact CD1-CD1 3.99Å; Y35-L524 HydrophobicContact CE1-CD1 3.41Å; Y35-L524 VanDerWaalsContact CE1-CD1 3.41Å; I54-L524 HydrophobicContact CG2-CB 4.25Å; V55-L524 HydrophobicContact CG2-CD1 3.72Å; F58-L524 HydrophobicContact CD1-CD2 3.68Å; F58-L524 HydrophobicContact CD2-CB 4.12Å; F58-L524 HydrophobicContact CD2-CD2 4.34Å; F58-L524 HydrophobicContact CE1-CD2 3.68Å; F58-L524 HydrophobicContact CE2-CD2 4.35Å; F58-L524 HydrophobicContact CG-CB 4.23Å; F58-L524 HydrophobicContact CG-CD2 4.01Å; F58-L524 HydrophobicContact CZ-CD2 4.03Å; L507-L524 HydrophobicContact CD2-CD2 4.19Å; P522-L524 PolarHBondContact O-N 3.23Å; L524-Y530 WeakPolarHBondContact O-CB 3.45Å
525F98.3Very high97.8Very high21 Ų2155.8 Ų55.89%0.09231%0.307CS..G310 helixtrans-88-10-176-54.3-70.9000113.1F58 L507 L510 Y511 T521 P522 E523 Y530F58-F525 HydrophobicContact CE2-CE2 4.16Å; F58-F525 HydrophobicContact CZ-CE2 4.25Å; F58-F525 HydrophobicContact CZ-CZ 4.3Å; L507-F525 HydrophobicContact CB-CE1 4.19Å; L507-F525 WeakPolarHBondContact O-CE1 3.29Å; L507-F525 WeakPolarHBondContact O-CZ 3.47Å; L510-F525 HydrophobicContact CB-CZ 4.28Å; Y511-F525 HydrophobicContact CD2-CB 4.31Å; Y511-F525 HydrophobicContact CD2-CD1 4.45Å; Y511-F525 AromaticContact CD2-CD2 4Å; Y511-F525 HydrophobicContact CD2-CD2 4Å; Y511-F525 HydrophobicContact CD2-CE2 4.43Å; Y511-F525 HydrophobicContact CD2-CG 4.01Å; T521-F525 HydrophobicContact CG2-CB 3.86Å; T521-F525 HydrophobicContact CG2-CD2 4.49Å; P522-F525 HydrophobicContact CB-CD2 3.79Å; P522-F525 HydrophobicContact CB-CE2 3.91Å; P522-F525 HydrophobicContact CG-CD2 3.97Å; P522-F525 HydrophobicContact CG-CE2 3.86Å; P522-F525 PolarHBondContact O-N 3.05Å; E523-F525 PolarHBondContact O-N 2.93Å; E523-F525 VanDerWaalsContact O-N 3.15Å; F525-Y530 HydrophobicContact CD1-CD2 4.29Å; F525-Y530 HydrophobicContact CD1-CE1 4.35Å; F525-Y530 AromaticContact CD1-CE2 3.68Å; F525-Y530 HydrophobicContact CD1-CE2 3.68Å; F525-Y530 AromaticContact CD1-CZ 3.71Å; F525-Y530 HydrophobicContact CE1-CE2 4.17Å
526S97.4Very high97.8Very high84 Ų8453.8 Ų53.859%0.58732%0.318SS*.THydrogen-bonded Turntrans-105.5-7.7175.1-590000112.9E523E523-S526 CarbonylContact O-C 3.55Å; E523-S526 PolarHBondContact O-N 3.15Å
527D98.2Very high97.8Very high14 Ų1449.6 Ų49.68%0.07531%0.308CS..SBendtrans-53.8127169.6169.917.9000110.5Y35 T51 I54 E523 L529 Y530Y35-D527 PolarHBondContact OH-OD2 3.4Å; T51-D527 WeakPolarHBondContact CG2-OD2 3.47Å; T51-D527 PolarHBondContact OG1-OD2 2.81Å; I54-D527 HydrophobicContact CD1-CB 4.21Å; E523-D527 PolarHBondContact O-N 2.87Å; D527-L529 PolarHBondContact O-N 2.88Å; D527-L529 VanDerWaalsContact O-N 3.09Å; D527-L529 PolarHBondContact OD1-N 3.07Å; D527-Y530 VanDerWaalsContact O-CB 3.24Å; D527-Y530 WeakPolarHBondContact O-CB 3.3Å; D527-Y530 PolarHBondContact O-N 3.35Å
528P98.3Very high97.8Very high78 Ų7848.6 Ų48.651%0.50631%0.305SS..Hα-helixtrans-52.2-30.1175.8-28.735.8000114.6Y530 S531 R532P528-Y530 VanDerWaalsContact C-N 3.32Å; P528-S531 PolarHBondContact O-OG 3.32Å; P528-R532 VanDerWaalsContact O-CB 3.25Å; P528-R532 WeakPolarHBondContact O-CB 3.47Å; P528-R532 PolarHBondContact O-N 3.41Å
529L98.4Very high97.9Very high1 Ų145.8 Ų45.81%0.00527%0.274CS..Hα-helixtrans-73.5-23176.9-67.8-166.6000113.4V39 A43 E47 T51 D527 S533V39-L529 HydrophobicContact CB-CB 4.04Å; V39-L529 HydrophobicContact CB-CD1 4.05Å; V39-L529 HydrophobicContact CG1-CB 4.09Å; V39-L529 HydrophobicContact CG2-CD1 4.07Å; A43-L529 HydrophobicContact CB-CD1 3.47Å; A43-L529 VanDerWaalsContact CB-CD1 3.47Å; A43-L529 HydrophobicContact CB-CD2 4.03Å; A43-L529 HydrophobicContact CB-CG 4.44Å; E47-L529 HydrophobicContact CB-CD1 4.33Å; E47-L529 HydrophobicContact CB-CD2 4.49Å; E47-L529 HydrophobicContact CB-CG 4.48Å; T51-L529 HydrophobicContact CG2-CD1 4.35Å; T51-L529 WeakPolarHBondContact OG1-CD1 3.37Å; D527-L529 PolarHBondContact O-N 2.88Å; D527-L529 VanDerWaalsContact O-N 3.09Å; D527-L529 PolarHBondContact OD1-N 3.07Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.19Å; L529-S533 PolarHBondContact O-OG 3.21Å
530Y98.6Very high98Very high29 Ų2942.5 Ų42.511%0.11426%0.263CS..Hα-helixtrans-59.9-51.9174.6-174.2-94.8000110.2Y35 L507 L524 F525 D527 P528 S533 G535Y35-Y530 AromaticContact CE2-CD2 3.73Å; Y35-Y530 HydrophobicContact CE2-CD2 3.73Å; Y35-Y530 HydrophobicContact CE2-CE2 4.44Å; Y35-Y530 WeakPolarHBondContact OH-CA 3.41Å; Y35-Y530 PolarHBondContact OH-N 3.43Å; L507-Y530 HydrophobicContact CD1-CE2 4.28Å; L524-Y530 WeakPolarHBondContact O-CB 3.45Å; F525-Y530 HydrophobicContact CD1-CD2 4.29Å; F525-Y530 HydrophobicContact CD1-CE1 4.35Å; F525-Y530 AromaticContact CD1-CE2 3.68Å; F525-Y530 HydrophobicContact CD1-CE2 3.68Å; F525-Y530 AromaticContact CD1-CZ 3.71Å; F525-Y530 HydrophobicContact CE1-CE2 4.17Å; D527-Y530 VanDerWaalsContact O-CB 3.24Å; D527-Y530 WeakPolarHBondContact O-CB 3.3Å; D527-Y530 PolarHBondContact O-N 3.35Å; P528-Y530 VanDerWaalsContact C-N 3.32Å; Y530-S533 PolarHBondContact O-OG 2.78Å; Y530-G535 WeakPolarHBondContact O-CA 3.39Å; Y530-G535 PolarHBondContact O-N 3.19Å
531S98Very high98.1Very high52 Ų5236.9 Ų36.936%0.36423%0.226SC..Hα-helixtrans-74.4-42.4178.7600000112.7P528 S533 G534 G535 N538P528-S531 PolarHBondContact O-OG 3.32Å; S531-S533 PolarHBondContact O-N 2.77Å; S531-G534 WeakPolarHBondContact O-CA 3.16Å; S531-G534 PolarHBondContact O-N 3.02Å; S531-G535 WeakPolarHBondContact CA-O 3.49Å; S531-N538 VanDerWaalsContact O-CB 3.26Å; S531-N538 WeakPolarHBondContact O-CB 3.49Å
532R98.2Very high98.2Very high106 Ų10634 Ų3440%0.421%0.209SC..Hα-helixtrans-62-29.9-180-162.6-174-60.5164.33.3113F42 E47 P528 G534F42-R532 HydrophobicContact CB-CG 4.06Å; F42-R532 WeakPolarHBondContact O-CD 3.47Å; F42-R532 PolarHBondContact O-NH1 2.67Å; E47-R532 VanDerWaalsContact CD-NH1 3.31Å; E47-R532 IonicContact OE1-CZ 3.59Å; E47-R532 VanDerWaalsContact OE1-CZ 3.26Å; E47-R532 IonicContact OE1-NH1 2.63Å; E47-R532 PolarHBondContact OE1-NH1 3.31Å; E47-R532 IonicContact OE1-NH2 2.66Å; E47-R532 PolarHBondContact OE1-NH2 3.33Å; E47-R532 IonicContact OE2-NH1 2.72Å; E47-R532 PolarHBondContact OE2-NH1 3.3Å; P528-R532 VanDerWaalsContact O-CB 3.25Å; P528-R532 WeakPolarHBondContact O-CB 3.47Å; P528-R532 PolarHBondContact O-N 3.41Å; R532-G534 VanDerWaalsContact C-N 3.27Å
533S98.4Very high98.2Very high2 Ų233.4 Ų33.41%0.01421%0.206CC..THydrogen-bonded Turntrans-82.4-0.1173.669.40000114.3R456 L529 Y530 S531R456-S533 PolarHBondContact NH1-O 3.22Å; R456-S533 PolarHBondContact NH1-OG 2.81Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.19Å; L529-S533 PolarHBondContact O-OG 3.21Å; Y530-S533 PolarHBondContact O-OG 2.78Å; S531-S533 PolarHBondContact O-N 2.77Å
534G98.4Very high98.3Very high0 Ų029.1 Ų29.10%019%0.188CC..THydrogen-bonded Turntrans110.8-9.9175.600000115.7S531 R532 G537 N538 F539S531-G534 WeakPolarHBondContact O-CA 3.16Å; S531-G534 PolarHBondContact O-N 3.02Å; R532-G534 VanDerWaalsContact C-N 3.27Å; G534-G537 PolarHBondContact O-N 2.88Å; G534-N538 PolarHBondContact O-N 3.38Å; G534-F539 WeakPolarHBondContact O-CD2 3.17Å; G534-F539 WeakPolarHBondContact O-CE2 3.26Å
535G98.2Very high98.3Very high2 Ų230.7 Ų30.72%0.02120%0.196CC..THydrogen-bonded Turntrans-57.3148.7179.700000113.1Y530 S531 G537 N538Y530-G535 WeakPolarHBondContact O-CA 3.39Å; Y530-G535 PolarHBondContact O-N 3.19Å; S531-G535 WeakPolarHBondContact CA-O 3.49Å; G535-G537 VanDerWaalsContact C-N 3.29Å; G535-G537 PolarHBondContact O-N 3.2Å; G535-N538 PolarHBondContact O-ND2 3.28Å
536G96.9Very high98.2Very high70 Ų7030.2 Ų30.272%0.72220%0.195SC*.THydrogen-bonded Turntrans70.622.5-17800000114.3N538G536-N538 PolarHBondContact O-ND2 3.04Å
537G97.1Very high98.1Very high35 Ų3526.7 Ų26.736%0.36117%0.171SC..THydrogen-bonded Turntrans8234.317900000113.8G534 G535 M558 V559G534-G537 PolarHBondContact O-N 2.88Å; G535-G537 VanDerWaalsContact C-N 3.29Å; G535-G537 PolarHBondContact O-N 3.2Å; G537-M558 VanDerWaalsContact C-SD 3.59Å; G537-M558 WeakPolarHBondContact O-CG 3.45Å; G537-V559 WeakPolarHBondContact O-CG1 3.39Å
538N98.4Very high98Very high62 Ų6230.6 Ų30.633%0.33219%0.186SC..  trans-109.926.6-175.6-70.5-77.1000113.5S437 S531 G534 G535 G536 V540S437-N538 PolarHBondContact OG-O 3.5Å; S531-N538 VanDerWaalsContact O-CB 3.26Å; S531-N538 WeakPolarHBondContact O-CB 3.49Å; G534-N538 PolarHBondContact O-N 3.38Å; G535-N538 PolarHBondContact O-ND2 3.28Å; G536-N538 PolarHBondContact O-ND2 3.04Å; N538-V540 PolarHBondContact O-N 3.03Å
539F98.8Very high97.9Very high9 Ų928.1 Ų28.14%0.03917%0.169CC..  trans-76.9118.7178.3-68.3-81.1000110.6C438 Y439 T454 R456 G534 L541 M558C438-F539 WeakPolarHBondContact O-CD1 3.29Å; C438-F539 WeakPolarHBondContact O-CE1 3.38Å; Y439-F539 HydrophobicContact CD2-CD2 4.06Å; Y439-F539 AromaticContact CD2-CE2 3.9Å; Y439-F539 HydrophobicContact CD2-CE2 3.9Å; Y439-F539 HydrophobicContact CD2-CZ 4.46Å; Y439-F539 HydrophobicContact CG-CD2 4.37Å; T454-F539 HydrophobicContact CG2-CE2 4.43Å; T454-F539 HydrophobicContact CG2-CZ 3.94Å; R456-F539 HydrophobicContact CG-CE1 4.13Å; R456-F539 HydrophobicContact CG-CZ 4.29Å; G534-F539 WeakPolarHBondContact O-CD2 3.17Å; G534-F539 WeakPolarHBondContact O-CE2 3.26Å; F539-L541 PolarHBondContact O-N 3.09Å; F539-M558 HydrophobicContact CB-SD 3.92Å; F539-M558 HydrophobicContact CD2-CE 4.36Å; F539-M558 HydrophobicContact CD2-SD 3.8Å; F539-M558 HydrophobicContact CG-SD 4.36Å
540V98.8Very high97.7Very high12 Ų1228.4 Ų28.47%0.07317%0.171CC..SBendtrans-74.2-15.6175.7-60.30000112.7Y428 S437 N538 V559 G562 Y563Y428-V540 HydrophobicContact CE1-CG2 4.46Å; Y428-V540 HydrophobicContact CE2-CB 4.42Å; Y428-V540 HydrophobicContact CE2-CG2 3.94Å; Y428-V540 WeakPolarHBondContact OH-CG2 3.25Å; S437-V540 WeakPolarHBondContact O-CG2 3.18Å; S437-V540 PolarHBondContact O-N 3.2Å; S437-V540 VanDerWaalsContact O-N 3.15Å; S437-V540 PolarHBondContact OG-N 2.89Å; N538-V540 PolarHBondContact O-N 3.03Å; V540-V559 HydrophobicContact CG1-CG2 4.25Å; V540-G562 CarbonylContact O-C 3.21Å; V540-G562 WeakPolarHBondContact O-CA 3.36Å; V540-Y563 PolarHBondContact O-N 3.34Å
541L98.9Very high97.5Very high0 Ų027.3 Ų27.30%017%0.167CC..EExtended strand (participates in β ladder)trans-124.4101.9170-71.3169.9000109M424 Y428 S437 C438 Y439 F539 Y563 L592M424-L541 HydrophobicContact CE-CD1 4.48Å; M424-L541 HydrophobicContact CG-CD1 4.23Å; M424-L541 HydrophobicContact CG-CD2 4.28Å; M424-L541 HydrophobicContact SD-CD1 4.38Å; M424-L541 HydrophobicContact SD-CD2 4.08Å; Y428-L541 HydrophobicContact CD2-CD1 3.88Å; Y428-L541 HydrophobicContact CD2-CD2 3.85Å; Y428-L541 HydrophobicContact CD2-CG 3.85Å; Y428-L541 HydrophobicContact CE2-CD2 4.48Å; Y428-L541 HydrophobicContact CE2-CG 4.3Å; Y428-L541 HydrophobicContact CG-CD1 3.95Å; Y428-L541 HydrophobicContact CG-CG 4.43Å; S437-L541 PolarHBondContact O-N 3.37Å; C438-L541 CarbonylContact C-O 3.49Å; C438-L541 VanDerWaalsContact CA-O 3.3Å; C438-L541 WeakPolarHBondContact CA-O 3.41Å; C438-L541 HydrophobicContact CB-CB 3.79Å; C438-L541 HydrophobicContact CB-CD1 4.17Å; C438-L541 PolarHBondContact SG-O 2.75Å; Y439-L541 PolarHBondContact N-O 2.83Å; F539-L541 PolarHBondContact O-N 3.09Å; L541-Y563 HydrophobicContact CD2-CD2 4.07Å; L541-Y563 HydrophobicContact CD2-CG 4.49Å; L541-L592 HydrophobicContact CD2-CD2 4.38Å
542S98.8Very high97.4Very high12 Ų1225.2 Ų25.28%0.08415%0.152CC..EExtended strand (participates in β ladder)trans-94.5110.6171.8-176.30000109.2Y563 G564 F565S542-Y563 PolarHBondContact N-O 2.74Å; S542-G564 CarbonylContact O-C 3.48Å; S542-G564 WeakPolarHBondContact O-CA 3.36Å; S542-F565 PolarHBondContact O-N 3.36Å
543S98.8Very high97.3Very high0 Ų020.8 Ų20.80%014%0.139CC..EExtended strand (participates in β ladder)trans-129.3153.9-170.277.40000115.3Q421 Y439 E440 T441 F565Q421-S543 PolarHBondContact NE2-OG 3.35Å; Y439-S543 WeakPolarHBondContact O-CA 3.36Å; Y439-S543 WeakPolarHBondContact O-CB 3.49Å; Y439-S543 PolarHBondContact O-N 3.45Å; Y439-S543 PolarHBondContact O-OG 2.69Å; E440-S543 WeakPolarHBondContact CA-O 3.45Å; T441-S543 PolarHBondContact N-O 2.89Å; S543-F565 WeakPolarHBondContact CA-O 3.43Å; S543-F565 WeakPolarHBondContact CB-O 3.49Å
544S98.6Very high97.2Very high22 Ų2220.8 Ų20.815%0.15414%0.14CC..EExtended strand (participates in β ladder)trans-159140.7170.9-167.60000112.2T441 F565 F566 Y567T441-S544 WeakPolarHBondContact CB-OG 3.46Å; T441-S544 PolarHBondContact OG1-OG 2.85Å; S544-F565 PolarHBondContact N-O 2.92Å; S544-F566 WeakPolarHBondContact O-CA 3.33Å; S544-Y567 PolarHBondContact O-N 2.57Å
545L98.4Very high97.2Very high34 Ų3421.7 Ų21.718%0.17815%0.145CC..EExtended strand (participates in β ladder)trans-70.1127.3158.8173.559.1000109.7D417 G547 Y548 Y567 I569D417-L545 HydrophobicContact CB-CD2 4.26Å; D417-L545 WeakPolarHBondContact OD1-CB 3Å; L545-G547 VanDerWaalsContact C-N 3.33Å; L545-G547 WeakPolarHBondContact CD1-O 3.06Å; L545-Y548 HydrophobicContact CD2-CE2 4.23Å; L545-Y567 HydrophobicContact CB-CD2 4.47Å; L545-Y567 HydrophobicContact CB-CE2 3.8Å; L545-Y567 HydrophobicContact CD1-CD2 3.81Å; L545-Y567 HydrophobicContact CD1-CE2 3.73Å; L545-Y567 HydrophobicContact CG-CE2 4.29Å; L545-I569 HydrophobicContact CD1-CD1 3.76Å; L545-I569 HydrophobicContact CD1-CG1 3.76Å
546V96.4Very high97.2Very high11 Ų1121.8 Ų21.87%0.06715%0.146CC..EExtended strand (participates in β ladder)trans-92.4-0.3175.9-171.10000111.3V336 M552 F566 Y567V336-V546 HydrophobicContact CG2-CG1 3.54Å; V546-M552 HydrophobicContact CG2-CE 4.47Å; V546-F566 HydrophobicContact CG2-CB 4.19Å; V546-Y567 PolarHBondContact N-O 2.88Å
547G95.6Very high97.3Very high9 Ų918.9 Ų18.99%0.09311%0.114CC..EExtended strand (participates in β ladder)trans108.9-159.3172.300000113.7L545 R568 I569L545-G547 VanDerWaalsContact C-N 3.33Å; L545-G547 WeakPolarHBondContact CD1-O 3.06Å; G547-R568 WeakPolarHBondContact O-CA 3.48Å; G547-I569 PolarHBondContact O-N 3.44Å
548Y96.9Very high97.4Very high97 Ų9720.8 Ų20.838%0.3811%0.114SC..SBendtrans-114.816-171.2-57.4-80.2000113.6K406 L545 I569K406-Y548 HydrophobicContact CD-CD1 3.97Å; K406-Y548 HydrophobicContact CD-CE1 4.34Å; L545-Y548 HydrophobicContact CD2-CE2 4.23Å; Y548-I569 VanDerWaalsContact CA-O 3.32Å; Y548-I569 WeakPolarHBondContact CA-O 3.34Å; Y548-I569 HydrophobicContact CD1-CB 3.85Å; Y548-I569 HydrophobicContact CD1-CG2 4.33Å; Y548-I569 WeakPolarHBondContact CD1-O 3.44Å; Y548-I569 HydrophobicContact CE1-CB 3.99Å; Y548-I569 HydrophobicContact CE1-CD1 4.12Å; Y548-I569 HydrophobicContact CE1-CG2 4.33Å
549T95.3Very high97.4Very high26 Ų2618.7 Ų18.716%0.1610%0.104CC..SBendtrans-99-170.2-178.461.80000110.9W340 I551 R568W340-T549 HydrophobicContact CB-CG2 4.01Å; W340-T549 HydrophobicContact CD2-CG2 3.66Å; W340-T549 HydrophobicContact CE3-CG2 4.1Å; W340-T549 HydrophobicContact CG-CG2 3.62Å; T549-I551 PolarHBondContact O-N 3.47Å; T549-I551 PolarHBondContact OG1-N 2.97Å; T549-R568 PolarHBondContact O-NH1 3.24Å
550T93.5Very high97.3Very high7 Ų722.9 Ų22.94%0.04312%0.123CC..SBendtrans-76.6-6.8173.943.80000114.1P108 W340 D343 R568P108-T550 WeakPolarHBondContact CB-OG1 3.14Å; W340-T550 HydrophobicContact CZ3-CG2 3.98Å; W340-T550 WeakPolarHBondContact CZ3-OG1 3.45Å; D343-T550 PolarHBondContact OD2-OG1 3.44Å; T550-R568 VanDerWaalsContact CA-NH1 3.34Å; T550-R568 PolarHBondContact O-NE 3.37Å; T550-R568 PolarHBondContact O-NH1 3.11Å
551I95.1Very high97.3Very high6 Ų626.2 Ų26.23%0.03114%0.138CC..  trans-86.4133.5-168.8-44.5-45.8000111.4P108 V336 C339 W340 T549 R568P108-I551 HydrophobicContact CB-CD1 3.46Å; P108-I551 VanDerWaalsContact CB-CD1 3.46Å; P108-I551 HydrophobicContact CG-CD1 3.36Å; V336-I551 HydrophobicContact CB-CB 4.44Å; V336-I551 HydrophobicContact CB-CG2 4.49Å; V336-I551 HydrophobicContact CG1-CB 4.13Å; V336-I551 HydrophobicContact CG1-CG1 4.13Å; V336-I551 HydrophobicContact CG2-CB 4.19Å; V336-I551 HydrophobicContact CG2-CG2 3.99Å; C339-I551 HydrophobicContact CB-CD1 3.45Å; C339-I551 VanDerWaalsContact CB-CD1 3.45Å; C339-I551 HydrophobicContact CB-CG1 3.82Å; C339-I551 HydrophobicContact CB-CG2 4.19Å; W340-I551 HydrophobicContact CB-CG1 4.35Å; T549-I551 PolarHBondContact O-N 3.47Å; T549-I551 PolarHBondContact OG1-N 2.97Å; I551-R568 WeakPolarHBondContact O-CD 3.31Å
552M95.6Very high97.3Very high7 Ų726.2 Ų26.23%0.03414%0.138CC..  trans-125.4156.4177-165.957.7-149.700110.3P106 V546 F566 R568 V575 S577P106-M552 HydrophobicContact CG-CB 4.11Å; V546-M552 HydrophobicContact CG2-CE 4.47Å; M552-F566 HydrophobicContact CE-CB 3.69Å; M552-F566 WeakPolarHBondContact CE-O 3.33Å; M552-R568 HydrophobicContact SD-CB 4.08Å; M552-R568 HydrophobicContact SD-CG 3.87Å; M552-V575 HydrophobicContact CG-CG1 4.03Å; M552-V575 HydrophobicContact SD-CB 4.43Å; M552-V575 HydrophobicContact SD-CG1 4.27Å; M552-S577 WeakPolarHBondContact CE-OG 3.33Å
553G95.9Very high97.3Very high14 Ų1425.7 Ų25.714%0.14413%0.134CC..  trans-163.1170.4174.400000111.9G104 F566G104-G553 CarbonylContact O-C 3.6Å; G104-G553 VanDerWaalsContact O-CA 3.25Å; G104-G553 WeakPolarHBondContact O-CA 3.44Å; G553-F566 WeakPolarHBondContact O-CB 3.5Å
554A97.9Very high97.3Very high2 Ų225.7 Ų25.72%0.01713%0.134CC..BIsolated β-bridgetrans-146.9165.9178.900000110.6F103 G104 T294 L298 F566 T579F103-A554 WeakPolarHBondContact CA-O 3.44Å; G104-A554 PolarHBondContact N-O 2.79Å; G104-A554 VanDerWaalsContact N-O 3.09Å; G104-A554 PolarHBondContact O-N 3.39Å; T294-A554 HydrophobicContact CG2-CB 4.21Å; L298-A554 HydrophobicContact CD1-CB 3.84Å; L298-A554 WeakPolarHBondContact CD2-O 3.5Å; A554-F566 HydrophobicContact CB-CD2 4.18Å; A554-T579 HydrophobicContact CB-CG2 4.21Å
555V98.3Very high97.3Very high19 Ų1924.6 Ų24.612%0.11513%0.127CC..  trans-132.4165.9163.1-59.40000108.8F103 F566 T579F103-V555 HydrophobicContact CB-CG1 3.54Å; V555-F566 HydrophobicContact CB-CE2 4.38Å; V555-F566 HydrophobicContact CB-CZ 4.28Å; V555-F566 HydrophobicContact CG2-CE1 4.26Å; V555-F566 HydrophobicContact CG2-CE2 3.53Å; V555-F566 HydrophobicContact CG2-CZ 3.23Å; V555-T579 WeakPolarHBondContact O-CG2 3.42Å; V555-T579 PolarHBondContact O-OG1 3.34Å
556A98.3Very high97.3Very high4 Ų424 Ų243%0.03312%0.122CC..  trans-63.3158.5168.900000111.7L394 W581L394-A556 HydrophobicContact CD1-CB 4.23Å; A556-W581 HydrophobicContact CB-CH2 3.99Å; A556-W581 HydrophobicContact CB-CZ2 3.73Å
557P98.6Very high97.4Very high9 Ų923.4 Ų23.46%0.05812%0.119CC..  trans-59.3145.2174.5-22.532.8000112.7V559 G562 T579 W581P557-V559 VanDerWaalsContact C-N 3.31Å; P557-V559 WeakPolarHBondContact CB-O 3.48Å; P557-V559 PolarHBondContact O-N 3.21Å; P557-G562 WeakPolarHBondContact CB-O 3.42Å; P557-T579 WeakPolarHBondContact CD-OG1 3.44Å; P557-W581 HydrophobicContact CG-CG 4.45Å
558M98.1Very high97.5Very high75 Ų7523.2 Ų23.237%0.36912%0.115SC..SBendtrans-67.6-31.5178.7-173.1179.2-68.400112.8Y439 G537 F539Y439-M558 HydrophobicContact CD2-CE 4.43Å; Y439-M558 HydrophobicContact CG-CE 4.46Å; G537-M558 VanDerWaalsContact C-SD 3.59Å; G537-M558 WeakPolarHBondContact O-CG 3.45Å; F539-M558 HydrophobicContact CB-SD 3.92Å; F539-M558 HydrophobicContact CD2-CE 4.36Å; F539-M558 HydrophobicContact CD2-SD 3.8Å; F539-M558 HydrophobicContact CG-SD 4.36Å
559V98.3Very high97.6Very high18 Ų1818.6 Ų18.611%0.10910%0.097CC..SBendtrans-130.3157176.2-65.10000111G537 V540 P557 H561 G562G537-V559 WeakPolarHBondContact O-CG1 3.39Å; V540-V559 HydrophobicContact CG1-CG2 4.25Å; P557-V559 VanDerWaalsContact C-N 3.31Å; P557-V559 WeakPolarHBondContact CB-O 3.48Å; P557-V559 PolarHBondContact O-N 3.21Å; V559-H561 VanDerWaalsContact C-N 3.28Å; V559-H561 PolarHBondContact O-N 2.93Å; V559-G562 PolarHBondContact O-N 3.03Å; V559-G562 VanDerWaalsContact O-N 3.1Å
560H98.4Very high97.7Very high96 Ų9620.6 Ų20.644%0.44410%0.102SC..THydrogen-bonded Turntrans-54.9-40.1-179.6-178.2-106000113.6G562 S583 C584H560-G562 VanDerWaalsContact C-N 3.34Å; H560-G562 PolarHBondContact O-N 3Å; H560-S583 PolarHBondContact NE2-OG 3.31Å; H560-C584 VanDerWaalsContact O-CB 3.29Å; H560-C584 WeakPolarHBondContact O-CB 3.48Å
561H97.9Very high97.9Very high82 Ų8224.6 Ų24.638%0.3812%0.123SC..THydrogen-bonded Turntrans-98.234.1179.361.3-83.9000113V559 C584V559-H561 VanDerWaalsContact C-N 3.28Å; V559-H561 PolarHBondContact O-N 2.93Å; H561-C584 VanDerWaalsContact CA-SG 3.54Å
562G98.6Very high98Very high0 Ų027.6 Ų27.60%014%0.139CC..  trans-129.5-177.9-176.700000113.5V540 P557 V559 H560V540-G562 CarbonylContact O-C 3.21Å; V540-G562 WeakPolarHBondContact O-CA 3.36Å; P557-G562 WeakPolarHBondContact CB-O 3.42Å; V559-G562 PolarHBondContact O-N 3.03Å; V559-G562 VanDerWaalsContact O-N 3.1Å; H560-G562 VanDerWaalsContact C-N 3.34Å; H560-G562 PolarHBondContact O-N 3Å
563Y98.9Very high98.1Very high1 Ų129.6 Ų29.60%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-126145.6176.9-56-92.2000111.2Y428 H432 V540 L541 S542 I578 T579 A580 T587 D588 L592Y428-Y563 HydrophobicContact CD2-CD2 4.32Å; Y428-Y563 HydrophobicContact CD2-CE2 4.14Å; Y428-Y563 HydrophobicContact CE2-CD2 4.18Å; Y428-Y563 AromaticContact CE2-CE2 3.94Å; Y428-Y563 HydrophobicContact CE2-CE2 3.94Å; H432-Y563 PolarHBondContact CE1-OH 2.97Å; H432-Y563 AromaticContact NE2-CE2 3.47Å; H432-Y563 WeakPolarHBondContact NE2-CE2 3.4Å; H432-Y563 AromaticContact NE2-CZ 3.69Å; H432-Y563 PolarHBondContact NE2-OH 3.29Å; V540-Y563 PolarHBondContact O-N 3.34Å; L541-Y563 HydrophobicContact CD2-CD2 4.07Å; L541-Y563 HydrophobicContact CD2-CG 4.49Å; S542-Y563 PolarHBondContact N-O 2.74Å; Y563-I578 HydrophobicContact CD1-CG2 3.87Å; Y563-T579 WeakPolarHBondContact CA-O 3.46Å; Y563-T579 WeakPolarHBondContact CB-O 3.38Å; Y563-A580 HydrophobicContact CD1-CB 3.83Å; Y563-A580 HydrophobicContact CE1-CB 3.98Å; Y563-T587 HydrophobicContact CD2-CG2 4.35Å; Y563-T587 HydrophobicContact CE1-CG2 4.26Å; Y563-T587 HydrophobicContact CE2-CG2 3.81Å; Y563-T587 VanDerWaalsContact OH-CA 3.29Å; Y563-T587 WeakPolarHBondContact OH-CA 3.37Å; Y563-D588 PolarHBondContact OH-N 3.28Å; Y563-D588 VanDerWaalsContact OH-N 3.09Å; Y563-L592 HydrophobicContact CD1-CD2 3.71Å; Y563-L592 HydrophobicContact CD2-CD2 3.88Å; Y563-L592 HydrophobicContact CE1-CB 4.14Å; Y563-L592 HydrophobicContact CE1-CD2 3.9Å; Y563-L592 HydrophobicContact CE2-CD2 4.05Å; Y563-L592 HydrophobicContact CG-CD2 3.69Å
564G98.8Very high98.2Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-87134.2151.900000109.1S542 I578 T579S542-G564 CarbonylContact O-C 3.48Å; S542-G564 WeakPolarHBondContact O-CA 3.36Å; G564-I578 CarbonylContact O-C 3.41Å; G564-I578 VanDerWaalsContact O-CA 3.24Å; G564-I578 WeakPolarHBondContact O-CA 3.32Å; G564-T579 VanDerWaalsContact CA-OG1 3.28Å; G564-T579 WeakPolarHBondContact CA-OG1 3.35Å; G564-T579 PolarHBondContact N-O 3.04Å; G564-T579 PolarHBondContact N-OG1 2.91Å; G564-T579 PolarHBondContact O-N 3.44Å
565F98.9Very high98.2Very high0 Ų028.9 Ų28.90%014%0.139CC..EExtended strand (participates in β ladder)trans-136.4102.7-179.7-167.2-71.4000110.6I420 M424 S542 S543 S544 Y567 I576 I578 L592 F596I420-F565 HydrophobicContact CG2-CE1 4.09Å; M424-F565 HydrophobicContact CB-CE1 4.47Å; M424-F565 HydrophobicContact CB-CE2 4.4Å; M424-F565 HydrophobicContact CB-CZ 4.28Å; M424-F565 HydrophobicContact CG-CD1 4.42Å; M424-F565 HydrophobicContact CG-CD2 3.96Å; M424-F565 HydrophobicContact CG-CE2 4.04Å; M424-F565 HydrophobicContact CG-CG 4.18Å; M424-F565 HydrophobicContact CG-CZ 4.34Å; M424-F565 HydrophobicContact SD-CB 3.55Å; M424-F565 VanDerWaalsContact SD-CB 3.55Å; M424-F565 HydrophobicContact SD-CD1 3.51Å; M424-F565 VanDerWaalsContact SD-CD1 3.51Å; M424-F565 HydrophobicContact SD-CD2 3.68Å; M424-F565 HydrophobicContact SD-CE1 4.1Å; M424-F565 HydrophobicContact SD-CE2 4.23Å; M424-F565 HydrophobicContact SD-CG 3.29Å; M424-F565 WeakPolarHBondContact SD-CG 3.34Å; M424-F565 HydrophobicContact SD-CZ 4.43Å; S542-F565 PolarHBondContact O-N 3.36Å; S543-F565 WeakPolarHBondContact CA-O 3.43Å; S543-F565 WeakPolarHBondContact CB-O 3.49Å; S544-F565 PolarHBondContact N-O 2.92Å; F565-Y567 AromaticContact CD1-CD1 3.81Å; F565-Y567 HydrophobicContact CD1-CD1 3.81Å; F565-Y567 HydrophobicContact CD1-CE1 4.25Å; F565-Y567 AromaticContact CE1-CD1 3.73Å; F565-Y567 HydrophobicContact CE1-CD1 3.73Å; F565-Y567 HydrophobicContact CE1-CE1 4.32Å; F565-I576 HydrophobicContact CD1-CG2 4.33Å; F565-I576 HydrophobicContact CE1-CG2 3.72Å; F565-I576 HydrophobicContact CE2-CG2 3.96Å; F565-I576 HydrophobicContact CZ-CG2 3.5Å; F565-I576 VanDerWaalsContact CZ-CG2 3.5Å; F565-I578 HydrophobicContact CD2-CD1 3.66Å; F565-I578 HydrophobicContact CD2-CG1 3.71Å; F565-I578 HydrophobicContact CE2-CD1 3.44Å; F565-I578 VanDerWaalsContact CE2-CD1 3.44Å; F565-I578 HydrophobicContact CE2-CG1 3.87Å; F565-I578 HydrophobicContact CG-CG1 4.45Å; F565-I578 HydrophobicContact CZ-CD1 4.43Å; F565-L592 HydrophobicContact CD2-CD2 4.24Å; F565-F596 HydrophobicContact CE1-CE2 4.37Å; F565-F596 HydrophobicContact CE2-CD2 4.18Å; F565-F596 HydrophobicContact CE2-CG 4.3Å; F565-F596 HydrophobicContact CZ-CD1 4.28Å; F565-F596 AromaticContact CZ-CD2 3.71Å; F565-F596 HydrophobicContact CZ-CD2 3.71Å; F565-F596 HydrophobicContact CZ-CE1 4.27Å; F565-F596 AromaticContact CZ-CE2 3.66Å; F565-F596 HydrophobicContact CZ-CE2 3.66Å; F565-F596 HydrophobicContact CZ-CG 4.02Å; F565-F596 AromaticContact CZ-CZ 3.97Å; F565-F596 HydrophobicContact CZ-CZ 3.97Å
566F98.8Very high98.2Very high20 Ų2028 Ų289%0.08813%0.134CC..EExtended strand (participates in β ladder)trans-118.9149.4-175.5-59.4-86.2000109.6S544 V546 M552 G553 A554 V555 I576 S577S544-F566 WeakPolarHBondContact O-CA 3.33Å; V546-F566 HydrophobicContact CG2-CB 4.19Å; M552-F566 HydrophobicContact CE-CB 3.69Å; M552-F566 WeakPolarHBondContact CE-O 3.33Å; G553-F566 WeakPolarHBondContact O-CB 3.5Å; A554-F566 HydrophobicContact CB-CD2 4.18Å; V555-F566 HydrophobicContact CB-CE2 4.38Å; V555-F566 HydrophobicContact CB-CZ 4.28Å; V555-F566 HydrophobicContact CG2-CE1 4.26Å; V555-F566 HydrophobicContact CG2-CE2 3.53Å; V555-F566 HydrophobicContact CG2-CZ 3.23Å; F566-I576 CarbonylContact O-C 3.26Å; F566-I576 WeakPolarHBondContact O-CA 3.5Å; F566-S577 PolarHBondContact N-O 3.32Å; F566-S577 PolarHBondContact O-N 3Å
567Y98.8Very high98.2Very high0 Ų027.8 Ų27.80%013%0.132CC..EExtended strand (participates in β ladder)trans-151.7154.6178.252.5-86.1000113.3D417 I420 Q421 E440 S544 L545 V546 F565 I569 V575D417-Y567 VanDerWaalsContact OD1-CE2 3.26Å; D417-Y567 WeakPolarHBondContact OD1-CE2 3.48Å; D417-Y567 VanDerWaalsContact OD1-CZ 3.31Å; D417-Y567 PolarHBondContact OD1-OH 3.37Å; I420-Y567 HydrophobicContact CB-CD2 4.39Å; I420-Y567 HydrophobicContact CB-CE2 4.14Å; I420-Y567 HydrophobicContact CD1-CD2 3.57Å; I420-Y567 HydrophobicContact CD1-CE2 3.85Å; I420-Y567 HydrophobicContact CD1-CG 4.28Å; I420-Y567 HydrophobicContact CG2-CD1 3.68Å; I420-Y567 HydrophobicContact CG2-CD2 3.91Å; I420-Y567 HydrophobicContact CG2-CE1 3.68Å; I420-Y567 HydrophobicContact CG2-CE2 3.91Å; I420-Y567 HydrophobicContact CG2-CG 3.8Å; Q421-Y567 WeakPolarHBondContact CG-OH 3.25Å; Q421-Y567 PolarHBondContact NE2-OH 2.92Å; E440-Y567 PolarHBondContact OE1-OH 3.18Å; S544-Y567 PolarHBondContact O-N 2.57Å; L545-Y567 HydrophobicContact CB-CD2 4.47Å; L545-Y567 HydrophobicContact CB-CE2 3.8Å; L545-Y567 HydrophobicContact CD1-CD2 3.81Å; L545-Y567 HydrophobicContact CD1-CE2 3.73Å; L545-Y567 HydrophobicContact CG-CE2 4.29Å; V546-Y567 PolarHBondContact N-O 2.88Å; F565-Y567 AromaticContact CD1-CD1 3.81Å; F565-Y567 HydrophobicContact CD1-CD1 3.81Å; F565-Y567 HydrophobicContact CD1-CE1 4.25Å; F565-Y567 AromaticContact CE1-CD1 3.73Å; F565-Y567 HydrophobicContact CE1-CD1 3.73Å; F565-Y567 HydrophobicContact CE1-CE1 4.32Å; Y567-I569 HydrophobicContact CD2-CD1 4.15Å; Y567-I569 HydrophobicContact CD2-CG1 3.98Å; Y567-I569 HydrophobicContact CE2-CD1 4.08Å; Y567-I569 HydrophobicContact CE2-CG1 4.42Å; Y567-V575 CarbonylContact C-O 3.56Å; Y567-V575 WeakPolarHBondContact CA-O 3.28Å; Y567-V575 WeakPolarHBondContact CB-O 3.37Å
568R97.4Very high98.2Very high4 Ų427.4 Ų27.42%0.01513%0.129CC..EExtended strand (participates in β ladder)trans-121.5150.7166.269.3-178.5177.2106.7-11.5110.3E111 G547 T549 T550 I551 M552 R570 I574 V575E111-R568 IonicContact OE1-CZ 3.4Å; E111-R568 IonicContact OE1-NH1 3.87Å; E111-R568 IonicContact OE1-NH2 2.69Å; E111-R568 PolarHBondContact OE1-NH2 2.92Å; G547-R568 WeakPolarHBondContact O-CA 3.48Å; T549-R568 PolarHBondContact O-NH1 3.24Å; T550-R568 VanDerWaalsContact CA-NH1 3.34Å; T550-R568 PolarHBondContact O-NE 3.37Å; T550-R568 PolarHBondContact O-NH1 3.11Å; I551-R568 WeakPolarHBondContact O-CD 3.31Å; M552-R568 HydrophobicContact SD-CB 4.08Å; M552-R568 HydrophobicContact SD-CG 3.87Å; R568-R570 VanDerWaalsContact NH1-CD 3.33Å; R568-I574 WeakPolarHBondContact O-CA 3.39Å; R568-V575 HydrophobicContact CG-CB 3.87Å; R568-V575 HydrophobicContact CG-CG2 4.4Å; R568-V575 PolarHBondContact N-O 3.14Å; R568-V575 PolarHBondContact O-N 2.86Å; R568-V575 VanDerWaalsContact O-N 3.09Å
569I98.5Very high98.3Very high0 Ų023.8 Ų23.80%011%0.112CC..EExtended strand (participates in β ladder)trans-122.6117.6-170.6-51.1176.7000111.2K406 P416 D417 I420 L545 G547 Y548 Y567 I574K406-I569 HydrophobicContact CB-CG2 3.65Å; K406-I569 HydrophobicContact CD-CG2 4.09Å; K406-I569 HydrophobicContact CG-CG2 4.2Å; P416-I569 HydrophobicContact CB-CD1 3.93Å; P416-I569 HydrophobicContact CB-CG2 4.04Å; D417-I569 HydrophobicContact CB-CD1 4.47Å; I420-I569 HydrophobicContact CD1-CD1 3.53Å; I420-I569 HydrophobicContact CD1-CG1 3.62Å; L545-I569 HydrophobicContact CD1-CD1 3.76Å; L545-I569 HydrophobicContact CD1-CG1 3.76Å; G547-I569 PolarHBondContact O-N 3.44Å; Y548-I569 VanDerWaalsContact CA-O 3.32Å; Y548-I569 WeakPolarHBondContact CA-O 3.34Å; Y548-I569 HydrophobicContact CD1-CB 3.85Å; Y548-I569 HydrophobicContact CD1-CG2 4.33Å; Y548-I569 WeakPolarHBondContact CD1-O 3.44Å; Y548-I569 HydrophobicContact CE1-CB 3.99Å; Y548-I569 HydrophobicContact CE1-CD1 4.12Å; Y548-I569 HydrophobicContact CE1-CG2 4.33Å; Y567-I569 HydrophobicContact CD2-CD1 4.15Å; Y567-I569 HydrophobicContact CD2-CG1 3.98Å; Y567-I569 HydrophobicContact CE2-CD1 4.08Å; Y567-I569 HydrophobicContact CE2-CG1 4.42Å; I569-I574 HydrophobicContact CG2-CG1 4.34Å
570R97.2Very high98.3Very high69 Ų6923 Ų2326%0.2611%0.107SC..  trans-109173.2170.5-70.9-174.260.7176.40.1111.2E111 G405 K406 R568 D572 R573E111-R570 IonicContact OE1-NH1 2.78Å; E111-R570 IonicContact OE2-CZ 2.76Å; E111-R570 IonicContact OE2-NH1 3.38Å; E111-R570 PolarHBondContact OE2-NH1 3.38Å; G405-R570 WeakPolarHBondContact CA-O 3.34Å; K406-R570 WeakPolarHBondContact CG-O 3.2Å; K406-R570 PolarHBondContact N-O 3.48Å; R568-R570 VanDerWaalsContact NH1-CD 3.33Å; R570-D572 VanDerWaalsContact C-N 3.33Å; R570-D572 IonicContact NE-OD1 3.28Å; R570-R573 CarbonylContact C-O 3.54Å; R570-R573 WeakPolarHBondContact CA-O 3.5Å; R570-R573 HydrophobicContact CB-CG 4.02Å; R570-R573 WeakPolarHBondContact CB-O 3.48Å; R570-R573 PolarHBondContact N-O 2.85Å
571D98.1Very high98.3Very high91 Ų9119.4 Ų19.449%0.4879%0.089SC..SBendtrans-60.9-41.9-179.2-68.8-40.7000112.5G405 K406 S407G405-D571 CarbonylContact C-O 3.54Å; G405-D571 VanDerWaalsContact C-O 3.26Å; G405-D571 WeakPolarHBondContact CA-O 3.29Å; G405-D571 PolarHBondContact N-O 3.32Å; K406-D571 WeakPolarHBondContact CE-OD1 3.38Å; K406-D571 PolarHBondContact N-O 2.95Å; K406-D571 IonicContact NZ-OD1 3.56Å; S407-D571 WeakPolarHBondContact CB-O 3.31Å; S407-D571 PolarHBondContact N-O 3.48Å; S407-D571 WeakPolarHBondContact OG-CB 3.4Å; S407-D571 PolarHBondContact OG-O 3.28Å
572D96.8Very high98.3Very high68 Ų6821.5 Ų21.536%0.36410%0.097SC..SBendtrans-104.8-17.7-172.665.1-51.3000114.1F404 G405 R570F404-D572 CarbonylContact C-O 3.6Å; G405-D572 PolarHBondContact N-O 2.67Å; R570-D572 VanDerWaalsContact C-N 3.33Å; R570-D572 IonicContact NE-OD1 3.28Å
573R97.1Very high98.3Very high49 Ų4924.5 Ų24.519%0.18512%0.118CC..  trans-150.8164.6-173.668.6-175.869.7-164.9-5.5113.4F401 R570F401-R573 WeakPolarHBondContact O-CA 3.48Å; F401-R573 WeakPolarHBondContact O-CB 3.31Å; R570-R573 CarbonylContact C-O 3.54Å; R570-R573 WeakPolarHBondContact CA-O 3.5Å; R570-R573 HydrophobicContact CB-CG 4.02Å; R570-R573 WeakPolarHBondContact CB-O 3.48Å; R570-R573 PolarHBondContact N-O 2.85Å
574I98.4Very high98.2Very high1 Ų124.9 Ų24.91%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-128.8131.4172.2-61.2160.3000107.1F401 I409 I420 R568 I569 I576 M600F401-I574 WeakPolarHBondContact CA-O 3.46Å; F401-I574 HydrophobicContact CB-CB 4.5Å; F401-I574 WeakPolarHBondContact CB-O 3.5Å; F401-I574 PolarHBondContact N-O 2.91Å; F401-I574 PolarHBondContact O-N 2.95Å; I409-I574 HydrophobicContact CD1-CD1 4.18Å; I420-I574 HydrophobicContact CD1-CD1 3.86Å; I420-I574 HydrophobicContact CD1-CG1 4.22Å; I420-I574 HydrophobicContact CD1-CG2 3.72Å; I420-I574 HydrophobicContact CG1-CD1 4.09Å; R568-I574 WeakPolarHBondContact O-CA 3.39Å; I569-I574 HydrophobicContact CG2-CG1 4.34Å; I574-I576 HydrophobicContact CB-CD1 4.3Å; I574-I576 HydrophobicContact CG2-CD1 3.77Å; I574-I576 HydrophobicContact CG2-CG1 3.96Å; I574-M600 HydrophobicContact CD1-CE 3.37Å
575V98.1Very high98.1Very high1 Ų137 Ų371%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-105.7131173-178.70000108.3Y290 Y399 A400 M552 Y567 R568Y290-V575 HydrophobicContact CD2-CG1 4.1Å; Y290-V575 HydrophobicContact CE2-CG1 4.28Å; Y290-V575 HydrophobicContact CE2-CG2 4.39Å; Y399-V575 WeakPolarHBondContact O-CA 3.08Å; A400-V575 HydrophobicContact CB-CG2 3.93Å; M552-V575 HydrophobicContact CG-CG1 4.03Å; M552-V575 HydrophobicContact SD-CB 4.43Å; M552-V575 HydrophobicContact SD-CG1 4.27Å; Y567-V575 CarbonylContact C-O 3.56Å; Y567-V575 WeakPolarHBondContact CA-O 3.28Å; Y567-V575 WeakPolarHBondContact CB-O 3.37Å; R568-V575 HydrophobicContact CG-CB 3.87Å; R568-V575 HydrophobicContact CG-CG2 4.4Å; R568-V575 PolarHBondContact N-O 3.14Å; R568-V575 PolarHBondContact O-N 2.86Å; R568-V575 VanDerWaalsContact O-N 3.09Å
576I98.4Very high98.1Very high0 Ų042.3 Ų42.30%019%0.192CC..EExtended strand (participates in β ladder)trans-122.7133-174.9-55.898.4000108.8C398 Y399 F401 F565 F566 I574 I578 F593 F596C398-I576 CarbonylContact C-O 3.53Å; C398-I576 VanDerWaalsContact CA-O 3.24Å; C398-I576 WeakPolarHBondContact CA-O 3.42Å; Y399-I576 PolarHBondContact N-O 3.25Å; Y399-I576 PolarHBondContact O-N 3.44Å; F401-I576 HydrophobicContact CB-CD1 3.81Å; F565-I576 HydrophobicContact CD1-CG2 4.33Å; F565-I576 HydrophobicContact CE1-CG2 3.72Å; F565-I576 HydrophobicContact CE2-CG2 3.96Å; F565-I576 HydrophobicContact CZ-CG2 3.5Å; F565-I576 VanDerWaalsContact CZ-CG2 3.5Å; F566-I576 CarbonylContact O-C 3.26Å; F566-I576 WeakPolarHBondContact O-CA 3.5Å; I574-I576 HydrophobicContact CB-CD1 4.3Å; I574-I576 HydrophobicContact CG2-CD1 3.77Å; I574-I576 HydrophobicContact CG2-CG1 3.96Å; I576-I578 HydrophobicContact CG2-CD1 4.2Å; I576-I578 HydrophobicContact CG2-CG1 3.76Å; I576-F593 HydrophobicContact CB-CD2 4.38Å; I576-F593 HydrophobicContact CB-CE2 4.23Å; I576-F593 HydrophobicContact CD1-CE2 4.03Å; I576-F596 HydrophobicContact CD1-CE1 3.73Å; I576-F596 HydrophobicContact CG1-CE1 3.85Å; I576-F596 HydrophobicContact CG1-CZ 4.35Å
577S98.6Very high98Very high0 Ų041.9 Ų41.90%019%0.191CC..EExtended strand (participates in β ladder)trans-112.7126.8168.1-57.10000109V397 C398 M552 F566V397-S577 CarbonylContact O-C 3.52Å; V397-S577 WeakPolarHBondContact O-CA 3.38Å; C398-S577 PolarHBondContact SG-OG 3.01Å; M552-S577 WeakPolarHBondContact CE-OG 3.33Å; F566-S577 PolarHBondContact N-O 3.32Å; F566-S577 PolarHBondContact O-N 3Å
578I98.9Very high98Very high0 Ų044.5 Ų44.50%021%0.205CC..EExtended strand (participates in β ladder)trans-122.7128.5175.7-49.3-175.1000108.6L396 V397 Y563 G564 F565 I576 A589 L592 F593L396-I578 WeakPolarHBondContact CA-O 3.13Å; V397-I578 HydrophobicContact CG2-CB 3.85Å; V397-I578 HydrophobicContact CG2-CG1 4.3Å; V397-I578 PolarHBondContact N-O 3.32Å; V397-I578 PolarHBondContact O-N 3.5Å; Y563-I578 HydrophobicContact CD1-CG2 3.87Å; G564-I578 CarbonylContact O-C 3.41Å; G564-I578 VanDerWaalsContact O-CA 3.24Å; G564-I578 WeakPolarHBondContact O-CA 3.32Å; F565-I578 HydrophobicContact CD2-CD1 3.66Å; F565-I578 HydrophobicContact CD2-CG1 3.71Å; F565-I578 HydrophobicContact CE2-CD1 3.44Å; F565-I578 VanDerWaalsContact CE2-CD1 3.44Å; F565-I578 HydrophobicContact CE2-CG1 3.87Å; F565-I578 HydrophobicContact CG-CG1 4.45Å; F565-I578 HydrophobicContact CZ-CD1 4.43Å; I576-I578 HydrophobicContact CG2-CD1 4.2Å; I576-I578 HydrophobicContact CG2-CG1 3.76Å; I578-A589 HydrophobicContact CB-CB 4.16Å; I578-A589 HydrophobicContact CG2-CB 3.83Å; I578-L592 HydrophobicContact CD1-CB 4.31Å; I578-L592 HydrophobicContact CD1-CD2 4.29Å; I578-L592 HydrophobicContact CD1-CG 4.13Å; I578-L592 HydrophobicContact CG2-CD2 4.03Å; I578-F593 HydrophobicContact CD1-CB 3.8Å; I578-F593 HydrophobicContact CD1-CD2 4.43Å
579T98.9Very high98.1Very high0 Ų044.3 Ų44.30%020%0.204CC..EExtended strand (participates in β ladder)trans-114148.417358.30000110.6L298 Q395 L396 A554 V555 P557 Y563 G564L298-T579 HydrophobicContact CD1-CG2 4.37Å; Q395-T579 CarbonylContact O-C 3.58Å; Q395-T579 VanDerWaalsContact O-CA 3.26Å; Q395-T579 WeakPolarHBondContact O-CA 3.37Å; L396-T579 HydrophobicContact CB-CG2 4.44Å; L396-T579 HydrophobicContact CD1-CG2 3.84Å; L396-T579 HydrophobicContact CG-CG2 4.09Å; A554-T579 HydrophobicContact CB-CG2 4.21Å; V555-T579 WeakPolarHBondContact O-CG2 3.42Å; V555-T579 PolarHBondContact O-OG1 3.34Å; P557-T579 WeakPolarHBondContact CD-OG1 3.44Å; Y563-T579 WeakPolarHBondContact CA-O 3.46Å; Y563-T579 WeakPolarHBondContact CB-O 3.38Å; G564-T579 VanDerWaalsContact CA-OG1 3.28Å; G564-T579 WeakPolarHBondContact CA-OG1 3.35Å; G564-T579 PolarHBondContact N-O 3.04Å; G564-T579 PolarHBondContact N-OG1 2.91Å; G564-T579 PolarHBondContact O-N 3.44Å
580A98.8Very high98.1Very high0 Ų045.8 Ų45.80%022%0.216CC..EExtended strand (participates in β ladder)trans-151.4169.2175.100000109.4Q395 Y563 A589Q395-A580 HydrophobicContact CB-CB 4.33Å; Q395-A580 PolarHBondContact N-O 3.22Å; Q395-A580 PolarHBondContact O-N 2.94Å; Y563-A580 HydrophobicContact CD1-CB 3.83Å; Y563-A580 HydrophobicContact CE1-CB 3.98Å; A580-A589 HydrophobicContact CB-CB 4.09Å
581W98.4Very high98.1Very high22 Ų2244.8 Ų44.88%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-101.3124.4173.3-61.9108.4000110.1L99 D393 L394 A556 P557 S583 C584 T587L99-W581 HydrophobicContact CD2-CH2 4.25Å; L99-W581 HydrophobicContact CD2-CZ3 4.46Å; L99-W581 HydrophobicContact CG-CH2 4.41Å; D393-W581 HydrophobicContact CB-CE3 4.18Å; D393-W581 CarbonylContact O-C 3.45Å; D393-W581 WeakPolarHBondContact O-CA 3.39Å; L394-W581 HydrophobicContact CB-CE3 4.45Å; L394-W581 HydrophobicContact CB-CZ3 4.07Å; L394-W581 HydrophobicContact CD1-CE3 4.18Å; L394-W581 HydrophobicContact CD1-CH2 4.15Å; L394-W581 HydrophobicContact CD1-CZ3 3.93Å; A556-W581 HydrophobicContact CB-CH2 3.99Å; A556-W581 HydrophobicContact CB-CZ2 3.73Å; P557-W581 HydrophobicContact CG-CG 4.45Å; W581-S583 PolarHBondContact O-N 2.89Å; W581-C584 HydrophobicContact CB-CB 4.46Å; W581-C584 WeakPolarHBondContact O-CB 3.4Å; W581-C584 PolarHBondContact O-N 3.34Å; W581-T587 PolarHBondContact O-OG1 2.91Å
582K98.1Very high98.2Very high125 Ų12540.4 Ų40.454%0.54320%0.196SC..THydrogen-bonded Turntrans-61.6-32.9-179.8-65.7177.8-169.8160.70112Q392 D393 L394 Q395 C584Q392-K582 WeakPolarHBondContact O-CD 3.38Å; Q392-K582 WeakPolarHBondContact O-CE 3.49Å; Q392-K582 PolarHBondContact O-NZ 3.43Å; D393-K582 WeakPolarHBondContact O-CG 3.4Å; D393-K582 PolarHBondContact O-N 2.92Å; D393-K582 PolarHBondContact OD1-N 3.46Å; L394-K582 WeakPolarHBondContact O-CE 3.25Å; Q395-K582 HydrophobicContact CB-CG 3.91Å; K582-C584 PolarHBondContact O-N 3.19Å
583S97.9Very high98.3Very high63 Ų6338.1 Ų38.144%0.44118%0.183SC..THydrogen-bonded Turntrans-64.7-18.217559.90000113D393 H560 W581D393-S583 VanDerWaalsContact CG-OG 3.27Å; D393-S583 WeakPolarHBondContact OD1-CB 3.39Å; D393-S583 PolarHBondContact OD1-N 3.39Å; D393-S583 PolarHBondContact OD1-OG 3.38Å; D393-S583 WeakPolarHBondContact OD2-CB 3.4Å; D393-S583 PolarHBondContact OD2-OG 3.07Å; H560-S583 PolarHBondContact NE2-OG 3.31Å; W581-S583 PolarHBondContact O-N 2.89Å
584C98.1Very high98.3Very high10 Ų1040.5 Ų40.57%0.06820%0.2CC..  trans-92.3106.3172.3-170.70000111.5H560 H561 W581 K582 E586 T587H560-C584 VanDerWaalsContact O-CB 3.29Å; H560-C584 WeakPolarHBondContact O-CB 3.48Å; H561-C584 VanDerWaalsContact CA-SG 3.54Å; W581-C584 HydrophobicContact CB-CB 4.46Å; W581-C584 WeakPolarHBondContact O-CB 3.4Å; W581-C584 PolarHBondContact O-N 3.34Å; K582-C584 PolarHBondContact O-N 3.19Å; C584-E586 PolarHBondContact O-N 3.3Å; C584-T587 WeakPolarHBondContact CB-OG1 3.3Å; C584-T587 PolarHBondContact O-N 3.5Å; C584-T587 PolarHBondContact O-OG1 3.14Å
585R97Very high98.3Very high253 Ų25342.2 Ų42.296%0.95521%0.21SC*.THydrogen-bonded Turntrans-66.3-17.3178.2-61.8-176.3-178.7-175.20.2114.2T587R585-T587 VanDerWaalsContact C-N 3.35Å
586E97Very high98.4Very high113 Ų11342.1 Ų42.153%0.52821%0.209SC..THydrogen-bonded Turntrans-76.8-23.6177.2-69.3-173.3-14700112.2H432 K434 C584H432-E586 PolarHBondContact CE1-O 2.87Å; H432-E586 PolarHBondContact ND1-O 3.38Å; K434-E586 IonicContact NZ-OE2 3.1Å; C584-E586 PolarHBondContact O-N 3.3Å
587T98.3Very high98.4Very high10 Ų1043 Ų436%0.06122%0.215CC..  trans-110.6138.2-173.158.10000112.6Y563 W581 C584 R585Y563-T587 HydrophobicContact CD2-CG2 4.35Å; Y563-T587 HydrophobicContact CE1-CG2 4.26Å; Y563-T587 HydrophobicContact CE2-CG2 3.81Å; Y563-T587 VanDerWaalsContact OH-CA 3.29Å; Y563-T587 WeakPolarHBondContact OH-CA 3.37Å; W581-T587 PolarHBondContact O-OG1 2.91Å; C584-T587 WeakPolarHBondContact CB-OG1 3.3Å; C584-T587 PolarHBondContact O-N 3.5Å; C584-T587 PolarHBondContact O-OG1 3.14Å; R585-T587 VanDerWaalsContact C-N 3.35Å
588D98.6Very high98.4Very high56 Ų5645.9 Ų45.930%0.29924%0.236SC..  trans-146.5111.9171.1-178.7-104.2000110.7Q395 Y563 A590 S591 L592Q395-D588 PolarHBondContact NE2-OD2 3Å; Y563-D588 PolarHBondContact OH-N 3.28Å; Y563-D588 VanDerWaalsContact OH-N 3.09Å; D588-A590 VanDerWaalsContact C-N 3.32Å; D588-A590 PolarHBondContact O-N 3.46Å; D588-S591 PolarHBondContact O-N 2.89Å; D588-S591 WeakPolarHBondContact OD1-CA 3.4Å; D588-S591 WeakPolarHBondContact OD1-CB 3.42Å; D588-S591 PolarHBondContact OD1-N 3.17Å; D588-S591 PolarHBondContact OD1-OG 3.46Å; D588-L592 PolarHBondContact O-N 3.37Å
589A98.6Very high98.4Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-62.7-37.6-172.500000112.5Q395 V397 I578 A580 F593Q395-A589 HydrophobicContact CG-CB 4.03Å; V397-A589 HydrophobicContact CG2-CB 4.07Å; V397-A589 WeakPolarHBondContact CG2-O 3.29Å; I578-A589 HydrophobicContact CB-CB 4.16Å; I578-A589 HydrophobicContact CG2-CB 3.83Å; A580-A589 HydrophobicContact CB-CB 4.09Å; A589-F593 PolarHBondContact O-N 2.8Å
590A98.3Very high98.3Very high30 Ų3045.9 Ų45.925%0.24824%0.236CC..Hα-helixtrans-68.6-44.2178.600000112V397 D588 F593 N594V397-A590 HydrophobicContact CG1-CB 3.98Å; D588-A590 VanDerWaalsContact C-N 3.32Å; D588-A590 PolarHBondContact O-N 3.46Å; A590-F593 PolarHBondContact O-N 2.85Å; A590-N594 VanDerWaalsContact O-CG 3.3Å; A590-N594 PolarHBondContact O-N 2.87Å; A590-N594 PolarHBondContact O-ND2 3.29Å
591S98.5Very high98.3Very high48 Ų4850.4 Ų50.434%0.33626%0.257SS..Hα-helixtrans-61.7-44.4175.7-63.80000111.1D588 F593 N594 V595D588-S591 PolarHBondContact O-N 2.89Å; D588-S591 WeakPolarHBondContact OD1-CA 3.4Å; D588-S591 WeakPolarHBondContact OD1-CB 3.42Å; D588-S591 PolarHBondContact OD1-N 3.17Å; D588-S591 PolarHBondContact OD1-OG 3.46Å; S591-F593 VanDerWaalsContact C-N 3.33Å; S591-F593 PolarHBondContact O-N 3.36Å; S591-N594 PolarHBondContact O-N 2.76Å; S591-V595 WeakPolarHBondContact O-CG2 3.42Å; S591-V595 PolarHBondContact O-N 3.31Å
592L98.8Very high98.3Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-60.6-43175.7-175.761000111.4A427 L431 L541 Y563 F565 I578 D588 F596A427-L592 HydrophobicContact CB-CD1 3.99Å; L431-L592 HydrophobicContact CD2-CB 4.32Å; L431-L592 HydrophobicContact CD2-CD1 4.5Å; L541-L592 HydrophobicContact CD2-CD2 4.38Å; Y563-L592 HydrophobicContact CD1-CD2 3.71Å; Y563-L592 HydrophobicContact CD2-CD2 3.88Å; Y563-L592 HydrophobicContact CE1-CB 4.14Å; Y563-L592 HydrophobicContact CE1-CD2 3.9Å; Y563-L592 HydrophobicContact CE2-CD2 4.05Å; Y563-L592 HydrophobicContact CG-CD2 3.69Å; F565-L592 HydrophobicContact CD2-CD2 4.24Å; I578-L592 HydrophobicContact CD1-CB 4.31Å; I578-L592 HydrophobicContact CD1-CD2 4.29Å; I578-L592 HydrophobicContact CD1-CG 4.13Å; I578-L592 HydrophobicContact CG2-CD2 4.03Å; D588-L592 PolarHBondContact O-N 3.37Å; L592-F596 WeakPolarHBondContact O-CB 3.43Å; L592-F596 PolarHBondContact O-N 3.4Å
593F98.7Very high98.3Very high19 Ų1946.8 Ų46.88%0.08324%0.243CC..Hα-helixtrans-61-44176178.4-93000112.8V397 Y399 I576 I578 A589 A590 S591 F596 S597V397-F593 HydrophobicContact CG2-CB 4.07Å; Y399-F593 VanDerWaalsContact CB-CZ 3.44Å; Y399-F593 AromaticContact CD2-CD1 3.51Å; Y399-F593 HydrophobicContact CD2-CD1 3.51Å; Y399-F593 AromaticContact CD2-CD2 3.95Å; Y399-F593 HydrophobicContact CD2-CD2 3.95Å; Y399-F593 AromaticContact CD2-CE1 3.51Å; Y399-F593 HydrophobicContact CD2-CE1 3.51Å; Y399-F593 AromaticContact CD2-CE2 3.95Å; Y399-F593 HydrophobicContact CD2-CE2 3.95Å; Y399-F593 AromaticContact CD2-CG 3.74Å; Y399-F593 HydrophobicContact CD2-CG 3.74Å; Y399-F593 AromaticContact CD2-CZ 3.74Å; Y399-F593 HydrophobicContact CD2-CZ 3.74Å; Y399-F593 HydrophobicContact CE2-CD1 4.04Å; Y399-F593 HydrophobicContact CE2-CE1 4.34Å; Y399-F593 HydrophobicContact CE2-CG 4.35Å; Y399-F593 HydrophobicContact CG-CE1 4.13Å; Y399-F593 HydrophobicContact CG-CE2 4.33Å; Y399-F593 HydrophobicContact CG-CZ 4.04Å; I576-F593 HydrophobicContact CB-CD2 4.38Å; I576-F593 HydrophobicContact CB-CE2 4.23Å; I576-F593 HydrophobicContact CD1-CE2 4.03Å; I578-F593 HydrophobicContact CD1-CB 3.8Å; I578-F593 HydrophobicContact CD1-CD2 4.43Å; A589-F593 PolarHBondContact O-N 2.8Å; A590-F593 PolarHBondContact O-N 2.85Å; S591-F593 VanDerWaalsContact C-N 3.33Å; S591-F593 PolarHBondContact O-N 3.36Å; F593-F596 PolarHBondContact O-N 3.37Å; F593-S597 WeakPolarHBondContact CE1-OG 3.38Å; F593-S597 WeakPolarHBondContact CZ-OG 3.17Å; F593-S597 WeakPolarHBondContact O-CB 3.18Å; F593-S597 PolarHBondContact O-N 3.07Å; F593-S597 PolarHBondContact O-OG 2.92Å
594N98.5Very high98.3Very high100 Ų10045.1 Ų45.154%0.53523%0.229SC..Hα-helixtrans-63.7-48.4-179.6-72.3-26.1000111A590 S591 F596 S597 S598A590-N594 VanDerWaalsContact O-CG 3.3Å; A590-N594 PolarHBondContact O-N 2.87Å; A590-N594 PolarHBondContact O-ND2 3.29Å; S591-N594 PolarHBondContact O-N 2.76Å; N594-F596 VanDerWaalsContact C-N 3.34Å; N594-F596 PolarHBondContact O-N 3.26Å; N594-S597 PolarHBondContact O-N 2.9Å; N594-S598 PolarHBondContact O-N 3.2Å; N594-S598 VanDerWaalsContact O-N 3.16Å; N594-S598 PolarHBondContact O-OG 2.95Å
595V98.7Very high98.2Very high36 Ų3650.4 Ų50.422%0.21825%0.252CS..Hα-helixtrans-63.7-41.8177179.90000110.6A427 R430 S591 S597 S598 C599A427-V595 HydrophobicContact CB-CB 4.39Å; A427-V595 HydrophobicContact CB-CG1 3.98Å; R430-V595 HydrophobicContact CB-CG1 3.85Å; S591-V595 WeakPolarHBondContact O-CG2 3.42Å; S591-V595 PolarHBondContact O-N 3.31Å; V595-S597 PolarHBondContact O-N 3.37Å; V595-S598 PolarHBondContact O-N 3.39Å; V595-C599 PolarHBondContact O-N 2.95Å; V595-C599 PolarHBondContact O-SG 3.21Å
596F98.8Very high98.1Very high0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-57.6-46.9175.1168.9-94.6000112.1I420 A423 M424 A427 F565 I576 L592 F593 N594 S598 C599 M600I420-F596 HydrophobicContact CG2-CE2 4.03Å; I420-F596 HydrophobicContact CG2-CZ 3.91Å; A423-F596 HydrophobicContact CB-CD2 3.96Å; A423-F596 HydrophobicContact CB-CE2 3.6Å; A423-F596 HydrophobicContact CB-CZ 4.45Å; M424-F596 HydrophobicContact CB-CD2 4.36Å; M424-F596 HydrophobicContact CB-CE2 4.46Å; A427-F596 HydrophobicContact CB-CB 3.92Å; F565-F596 HydrophobicContact CE1-CE2 4.37Å; F565-F596 HydrophobicContact CE2-CD2 4.18Å; F565-F596 HydrophobicContact CE2-CG 4.3Å; F565-F596 HydrophobicContact CZ-CD1 4.28Å; F565-F596 AromaticContact CZ-CD2 3.71Å; F565-F596 HydrophobicContact CZ-CD2 3.71Å; F565-F596 HydrophobicContact CZ-CE1 4.27Å; F565-F596 AromaticContact CZ-CE2 3.66Å; F565-F596 HydrophobicContact CZ-CE2 3.66Å; F565-F596 HydrophobicContact CZ-CG 4.02Å; F565-F596 AromaticContact CZ-CZ 3.97Å; F565-F596 HydrophobicContact CZ-CZ 3.97Å; I576-F596 HydrophobicContact CD1-CE1 3.73Å; I576-F596 HydrophobicContact CG1-CE1 3.85Å; I576-F596 HydrophobicContact CG1-CZ 4.35Å; L592-F596 WeakPolarHBondContact O-CB 3.43Å; L592-F596 PolarHBondContact O-N 3.4Å; F593-F596 PolarHBondContact O-N 3.37Å; N594-F596 VanDerWaalsContact C-N 3.34Å; N594-F596 PolarHBondContact O-N 3.26Å; F596-S598 VanDerWaalsContact C-N 3.32Å; F596-S598 PolarHBondContact O-N 3.42Å; F596-C599 WeakPolarHBondContact O-CB 3.24Å; F596-C599 PolarHBondContact O-N 3.45Å; F596-C599 VanDerWaalsContact O-N 3.07Å; F596-M600 HydrophobicContact CD1-CG 4.11Å; F596-M600 HydrophobicContact CD2-CG 4.4Å; F596-M600 HydrophobicContact CE1-CG 3.59Å; F596-M600 HydrophobicContact CE1-SD 4.16Å; F596-M600 HydrophobicContact CE2-CG 3.94Å; F596-M600 HydrophobicContact CE2-SD 3.85Å; F596-M600 HydrophobicContact CG-CG 4.48Å; F596-M600 HydrophobicContact CZ-CE 4.28Å; F596-M600 HydrophobicContact CZ-CG 3.5Å; F596-M600 HydrophobicContact CZ-SD 3.48Å; F596-M600 WeakPolarHBondContact CZ-SD 3.4Å; F596-M600 WeakPolarHBondContact O-CG 3.27Å; F596-M600 PolarHBondContact O-N 3.02Å
597S98.5Very high97.9Very high18 Ų1833.5 Ų33.513%0.12618%0.184CC..Hα-helixtrans-59.8-42.7179.1-62.80000111.5F593 N594 V595 M600 H601F593-S597 WeakPolarHBondContact CE1-OG 3.38Å; F593-S597 WeakPolarHBondContact CZ-OG 3.17Å; F593-S597 WeakPolarHBondContact O-CB 3.18Å; F593-S597 PolarHBondContact O-N 3.07Å; F593-S597 PolarHBondContact O-OG 2.92Å; N594-S597 PolarHBondContact O-N 2.9Å; V595-S597 PolarHBondContact O-N 3.37Å; S597-M600 WeakPolarHBondContact O-CB 3.5Å; S597-M600 PolarHBondContact O-N 2.77Å; S597-H601 PolarHBondContact O-CD2 3.16Å; S597-H601 PolarHBondContact O-N 3.38Å
598S98.5Very high97.3Very high61 Ų6135.6 Ų35.643%0.42720%0.197SC..Hα-helixtrans-62.1-43.9172.4-580000112.3N594 V595 F596 M600 H601 E602N594-S598 PolarHBondContact O-N 3.2Å; N594-S598 VanDerWaalsContact O-N 3.16Å; N594-S598 PolarHBondContact O-OG 2.95Å; V595-S598 PolarHBondContact O-N 3.39Å; F596-S598 VanDerWaalsContact C-N 3.32Å; F596-S598 PolarHBondContact O-N 3.42Å; S598-M600 VanDerWaalsContact C-N 3.31Å; S598-M600 PolarHBondContact O-N 3.38Å; S598-H601 PolarHBondContact O-N 3.31Å; S598-E602 WeakPolarHBondContact O-CG 3.31Å; S598-E602 PolarHBondContact O-N 3.33Å
599C98.7Very high96.4Very high0 Ų035.5 Ų35.50%020%0.198CC..Hα-helixtrans-60.1-40.2177.5-650000112.2A423 L426 R430 V595 F596 H601 E602 M603A423-C599 HydrophobicContact CB-CB 4.44Å; L426-C599 HydrophobicContact CD2-CB 4.04Å; L426-C599 HydrophobicContact CG-CB 4.37Å; R430-C599 PolarHBondContact NH1-SG 2.73Å; R430-C599 VanDerWaalsContact NH1-SG 3.37Å; V595-C599 PolarHBondContact O-N 2.95Å; V595-C599 PolarHBondContact O-SG 3.21Å; F596-C599 WeakPolarHBondContact O-CB 3.24Å; F596-C599 PolarHBondContact O-N 3.45Å; F596-C599 VanDerWaalsContact O-N 3.07Å; C599-H601 PolarHBondContact O-N 3.05Å; C599-E602 PolarHBondContact O-N 2.65Å; C599-M603 WeakPolarHBondContact O-CB 3.39Å; C599-M603 VanDerWaalsContact O-CG 3.25Å; C599-M603 WeakPolarHBondContact O-CG 3.32Å; C599-M603 PolarHBondContact O-N 3.15Å
600M98.6Very high94.9Very high0 Ų036.3 Ų36.30%021%0.205CC..Hα-helixtrans-57.8-47.2175.8-71.1-70.8-71.800111.4F401 F404 F419 I420 A423 I574 F596 S597 S598 L604F401-M600 HydrophobicContact CE1-CB 4.47Å; F401-M600 HydrophobicContact CE2-CB 4.15Å; F401-M600 HydrophobicContact CZ-CB 3.92Å; F404-M600 HydrophobicContact CE2-CE 3.86Å; F404-M600 HydrophobicContact CZ-CB 4.01Å; F404-M600 HydrophobicContact CZ-CE 4.19Å; F404-M600 WeakPolarHBondContact CZ-O 3.4Å; F419-M600 HydrophobicContact CD1-CE 3.76Å; F419-M600 HydrophobicContact CD1-SD 3.64Å; F419-M600 HydrophobicContact CE1-CE 3.67Å; F419-M600 HydrophobicContact CE1-SD 3.51Å; F419-M600 VanDerWaalsContact CE1-SD 3.51Å; I420-M600 HydrophobicContact CG1-CE 4.04Å; I420-M600 HydrophobicContact CG1-SD 4.32Å; A423-M600 HydrophobicContact CB-CG 4.02Å; A423-M600 HydrophobicContact CB-SD 3.42Å; A423-M600 WeakPolarHBondContact CB-SD 3.37Å; I574-M600 HydrophobicContact CD1-CE 3.37Å; F596-M600 HydrophobicContact CD1-CG 4.11Å; F596-M600 HydrophobicContact CD2-CG 4.4Å; F596-M600 HydrophobicContact CE1-CG 3.59Å; F596-M600 HydrophobicContact CE1-SD 4.16Å; F596-M600 HydrophobicContact CE2-CG 3.94Å; F596-M600 HydrophobicContact CE2-SD 3.85Å; F596-M600 HydrophobicContact CG-CG 4.48Å; F596-M600 HydrophobicContact CZ-CE 4.28Å; F596-M600 HydrophobicContact CZ-CG 3.5Å; F596-M600 HydrophobicContact CZ-SD 3.48Å; F596-M600 WeakPolarHBondContact CZ-SD 3.4Å; F596-M600 WeakPolarHBondContact O-CG 3.27Å; F596-M600 PolarHBondContact O-N 3.02Å; S597-M600 WeakPolarHBondContact O-CB 3.5Å; S597-M600 PolarHBondContact O-N 2.77Å; S598-M600 VanDerWaalsContact C-N 3.31Å; S598-M600 PolarHBondContact O-N 3.38Å; M600-L604 PolarHBondContact O-N 3.36Å; M600-L604 VanDerWaalsContact O-N 3.14Å
601H98.5Very high92.9Very high95 Ų9540 Ų4044%0.4422%0.217SC..Hα-helixtrans-62.4-47.3176.8-77.8-73.3000112.6F401 A403 S597 S598 C599 M603 L604 H605F401-H601 AromaticContact CE2-CD2 3.85Å; F401-H601 AromaticContact CE2-NE2 3.57Å; F401-H601 AromaticContact CZ-NE2 3.74Å; A403-H601 WeakPolarHBondContact CB-CE1 3.44Å; S597-H601 PolarHBondContact O-CD2 3.16Å; S597-H601 PolarHBondContact O-N 3.38Å; S598-H601 PolarHBondContact O-N 3.31Å; C599-H601 PolarHBondContact O-N 3.05Å; H601-M603 VanDerWaalsContact C-N 3.35Å; H601-M603 PolarHBondContact O-N 3.33Å; H601-L604 PolarHBondContact O-N 3.13Å; H601-H605 WeakPolarHBondContact O-CB 3.34Å; H601-H605 PolarHBondContact O-N 3.34Å
602E97.7Very high90.3Very high71 Ų7147.4 Ų47.433%0.33225%0.252SS..Hα-helixtrans-62.5-41.7-179.5-71.7175.7-132.500112.3R430 M469 S598 C599 H605 L606R430-E602 IonicContact CZ-OE1 3.51Å; R430-E602 IonicContact CZ-OE2 3.77Å; R430-E602 VanDerWaalsContact NH1-CD 3.26Å; R430-E602 IonicContact NH1-OE1 2.73Å; R430-E602 PolarHBondContact NH1-OE1 3.31Å; R430-E602 IonicContact NH1-OE2 3.15Å; R430-E602 PolarHBondContact NH1-OE2 3.39Å; R430-E602 VanDerWaalsContact NH1-OE2 3.15Å; R430-E602 IonicContact NH2-OE1 3.62Å; R430-E602 IonicContact NH2-OE2 2.65Å; R430-E602 PolarHBondContact NH2-OE2 2.85Å; M469-E602 HydrophobicContact CE-CB 4.27Å; S598-E602 WeakPolarHBondContact O-CG 3.31Å; S598-E602 PolarHBondContact O-N 3.33Å; C599-E602 PolarHBondContact O-N 2.65Å; E602-H605 PolarHBondContact O-N 2.94Å; E602-L606 WeakPolarHBondContact O-CB 3.3Å; E602-L606 PolarHBondContact O-N 2.93Å
603M98.1Very high89.8Confident0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-63.6-41.5176.7-75.1173.862.500112F419 L422 A423 W465 M483 F487 C599 H601 L606 A607F419-M603 HydrophobicContact CD1-CE 4.21Å; F419-M603 HydrophobicContact CD2-CE 4.02Å; F419-M603 HydrophobicContact CE1-CB 4.12Å; F419-M603 HydrophobicContact CE1-CE 4.28Å; F419-M603 HydrophobicContact CE2-CB 3.76Å; F419-M603 HydrophobicContact CE2-CE 4.08Å; F419-M603 HydrophobicContact CG-CE 4.08Å; F419-M603 HydrophobicContact CZ-CB 3.39Å; F419-M603 HydrophobicContact CZ-CE 4.22Å; F419-M603 WeakPolarHBondContact O-CE 3.41Å; L422-M603 HydrophobicContact CB-CE 3.96Å; A423-M603 WeakPolarHBondContact CA-SD 3.47Å; A423-M603 HydrophobicContact CB-CE 4.31Å; A423-M603 HydrophobicContact CB-SD 3.5Å; A423-M603 WeakPolarHBondContact CB-SD 3.32Å; W465-M603 HydrophobicContact CH2-CE 3.96Å; W465-M603 HydrophobicContact CH2-CG 4.38Å; W465-M603 HydrophobicContact CH2-SD 3.56Å; W465-M603 VanDerWaalsContact CH2-SD 3.56Å; W465-M603 HydrophobicContact CZ2-CE 3.92Å; W465-M603 HydrophobicContact CZ2-CG 3.76Å; W465-M603 HydrophobicContact CZ2-SD 3.55Å; W465-M603 VanDerWaalsContact CZ2-SD 3.55Å; M483-M603 HydrophobicContact SD-CB 4.47Å; M483-M603 HydrophobicContact SD-CE 4.41Å; M483-M603 HydrophobicContact SD-CG 4.41Å; F487-M603 HydrophobicContact CE2-CE 4.24Å; F487-M603 HydrophobicContact CZ-CE 4.31Å; C599-M603 WeakPolarHBondContact O-CB 3.39Å; C599-M603 VanDerWaalsContact O-CG 3.25Å; C599-M603 WeakPolarHBondContact O-CG 3.32Å; C599-M603 PolarHBondContact O-N 3.15Å; H601-M603 VanDerWaalsContact C-N 3.35Å; H601-M603 PolarHBondContact O-N 3.33Å; M603-L606 PolarHBondContact O-N 2.91Å; M603-A607 VanDerWaalsContact O-CB 3.3Å; M603-A607 WeakPolarHBondContact O-CB 3.38Å; M603-A607 PolarHBondContact O-N 3.44Å
604L97.3Very high89.4Confident28 Ų2851.4 Ų51.415%0.14727%0.274CS..Hα-helixtrans-69-37.3177.7-17365.2000111.5F404 A408 K412 F419 M600 H601 A607 T608F404-L604 HydrophobicContact CB-CD2 4.38Å; F404-L604 HydrophobicContact CD1-CD2 3.37Å; F404-L604 HydrophobicContact CD2-CD2 4.02Å; F404-L604 HydrophobicContact CE1-CB 4.09Å; F404-L604 HydrophobicContact CE1-CD2 3.45Å; F404-L604 VanDerWaalsContact CE1-CD2 3.45Å; F404-L604 HydrophobicContact CE1-CG 4.4Å; F404-L604 HydrophobicContact CE2-CD2 4.1Å; F404-L604 HydrophobicContact CG-CD2 3.67Å; F404-L604 HydrophobicContact CZ-CB 3.94Å; F404-L604 HydrophobicContact CZ-CD2 3.82Å; F404-L604 HydrophobicContact CZ-CG 4.45Å; A408-L604 HydrophobicContact CB-CD2 4.47Å; K412-L604 HydrophobicContact CG-CD1 4.18Å; F419-L604 HydrophobicContact CZ-CB 4.13Å; M600-L604 PolarHBondContact O-N 3.36Å; M600-L604 VanDerWaalsContact O-N 3.14Å; H601-L604 PolarHBondContact O-N 3.13Å; L604-A607 PolarHBondContact O-N 3.48Å; L604-T608 PolarHBondContact O-N 3.23Å; L604-T608 VanDerWaalsContact O-N 3.17Å; L604-T608 PolarHBondContact O-OG1 3.35Å
605H96.2Very high88.8Confident120 Ų12048.7 Ų48.756%0.55626%0.26SS*.Hα-helixtrans-62.5-50.3174-178.875000111.2H601 E602 A607 T608 T609H601-H605 WeakPolarHBondContact O-CB 3.34Å; H601-H605 PolarHBondContact O-N 3.34Å; E602-H605 PolarHBondContact O-N 2.94Å; H605-A607 VanDerWaalsContact C-N 3.25Å; H605-A607 PolarHBondContact O-N 3.31Å; H605-T608 WeakPolarHBondContact O-CA 3.45Å; H605-T608 WeakPolarHBondContact O-CB 3.4Å; H605-T608 PolarHBondContact O-N 2.83Å; H605-T609 WeakPolarHBondContact CE1-CG2 3.36Å; H605-T609 PolarHBondContact O-N 3.02Å; H605-T609 PolarHBondContact O-OG1 3.11Å; H605-T609 VanDerWaalsContact O-OG1 3.13Å
606L95.9Very high88.3Confident12 Ų1249.4 Ų49.46%0.06326%0.262CS..Hα-helixtrans-57.9-38.3175.1-177.367.3000112.2M469 A476 R479 R480 M483 E602 M603 T608M469-L606 HydrophobicContact SD-CD2 3.75Å; A476-L606 HydrophobicContact CB-CD1 4.24Å; A476-L606 WeakPolarHBondContact O-CD1 3.19Å; R479-L606 HydrophobicContact CB-CD1 3.99Å; R479-L606 HydrophobicContact CB-CD2 3.88Å; R480-L606 HydrophobicContact CB-CD1 4.35Å; R480-L606 HydrophobicContact CB-CG 4.33Å; R480-L606 PolarHBondContact NH1-O 3.49Å; M483-L606 HydrophobicContact CE-CD2 4.3Å; M483-L606 HydrophobicContact SD-CD2 4.04Å; E602-L606 WeakPolarHBondContact O-CB 3.3Å; E602-L606 PolarHBondContact O-N 2.93Å; M603-L606 PolarHBondContact O-N 2.91Å; L606-T608 PolarHBondContact O-N 3.18Å
607A91.6Very high87.6Confident0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-64.8-22.5175.100000112.7K412 L414 R480 M483 M603 L604 H605K412-A607 HydrophobicContact CB-CB 4.18Å; K412-A607 HydrophobicContact CG-CB 4.09Å; L414-A607 HydrophobicContact CD1-CB 4.02Å; R480-A607 PolarHBondContact NH1-O 3.29Å; R480-A607 PolarHBondContact NH2-O 3.14Å; M483-A607 HydrophobicContact CE-CB 4.37Å; M603-A607 VanDerWaalsContact O-CB 3.3Å; M603-A607 WeakPolarHBondContact O-CB 3.38Å; M603-A607 PolarHBondContact O-N 3.44Å; L604-A607 PolarHBondContact O-N 3.48Å; H605-A607 VanDerWaalsContact C-N 3.25Å; H605-A607 PolarHBondContact O-N 3.31Å
608T86.6Confident86.9Confident54 Ų5454.8 Ų54.833%0.33129%0.289SS..Hα-helixtrans-96.7-48-176.6-570000113.1K412 L604 H605 L606 Q611K412-T608 WeakPolarHBondContact CE-OG1 3.45Å; K412-T608 PolarHBondContact NZ-OG1 3.38Å; L604-T608 PolarHBondContact O-N 3.23Å; L604-T608 VanDerWaalsContact O-N 3.17Å; L604-T608 PolarHBondContact O-OG1 3.35Å; H605-T608 WeakPolarHBondContact O-CA 3.45Å; H605-T608 WeakPolarHBondContact O-CB 3.4Å; H605-T608 PolarHBondContact O-N 2.83Å; L606-T608 PolarHBondContact O-N 3.18Å; T608-Q611 PolarHBondContact O-N 2.86Å
609T80Confident86.1Confident53 Ų5354.4 Ų54.433%0.32528%0.279SS..Hα-helixtrans-77-29.4-169.647.20000114.3H605 Q611 L612H605-T609 WeakPolarHBondContact CE1-CG2 3.36Å; H605-T609 PolarHBondContact O-N 3.02Å; H605-T609 PolarHBondContact O-OG1 3.11Å; H605-T609 VanDerWaalsContact O-OG1 3.13Å; T609-Q611 PolarHBondContact O-N 3.03Å; T609-L612 PolarHBondContact O-N 3.19Å
610A65.7Low85.1Confident18 Ų1858.5 Ų58.515%0.14930%0.3CS..THydrogen-bonded Turntrans-87.116.4177.100000113.6R480R480-A610 HydrophobicContact CB-CB 4.31Å; R480-A610 HydrophobicContact CG-CB 4.48Å
611Q56.9Low84Confident106 Ų10663.4 Ų63.450%0.49533%0.325SS..THydrogen-bonded Turntrans-101.2-12.3165.7-71.5-176.4-31.600112.7T608 T609T608-Q611 PolarHBondContact O-N 2.86Å; T609-Q611 PolarHBondContact O-N 3.03Å
612L43.3Very low82.6Confident204 Ų20460.5 Ų60.5100%1.06832%0.315SS*.  trans-93.70169.6-64.5168.4000108T609T609-L612 PolarHBondContact O-N 3.19Å

Retrieved 612 of 612 residues in 149.3 ms (Link to these results)

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