A0A087Y6U5_POEFO Loading...

Inter-alpha-trypsin inhibitor heavy chain 5

AlphaFold DB , UniProt , Accession A0A087Y6U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 805 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
1E69.8Low79.2Confident254 Ų254123.7 Ų123.7100%1.18768%0.677SS**  0158.90-65.8174.6171.100108.9
2L80.6Confident78.3Confident159 Ų159134.5 Ų134.583%0.83270%0.701SS**  trans-110.7115.9177.4-179.769.9000109.2
3F83.8Confident77.7Confident124 Ų124132.2 Ų132.254%0.54469%0.689SS.*  trans-87.2126.1168.8-176.2-90.1000109.6T5 L19F3-T5 HydrophobicContact CE1-CG2 3.94Å; F3-L19 HydrophobicContact CB-CD2 4.2Å; F3-L19 HydrophobicContact CD1-CD2 4.22Å; F3-L19 HydrophobicContact CD2-CD1 4.47Å; F3-L19 HydrophobicContact CE2-CD1 4.43Å; F3-L19 HydrophobicContact CG-CD2 4.07Å
4R84.3Confident77.4Confident214 Ų214135.2 Ų135.281%0.80869%0.687SS**  trans-137.1129.2177.6-171.5178.8-176.8-171.71.7110.3
5T81.6Confident77.5Confident64 Ų64129.1 Ų129.139%0.39367%0.665SS.*  trans-135.3151.8172-171.40000110F3 F17F3-T5 HydrophobicContact CE1-CG2 3.94Å; T5-F17 HydrophobicContact CG2-CD1 4.39Å; T5-F17 HydrophobicContact CG2-CE1 4.41Å
6T81.6Confident77.8Confident126 Ų126125.3 Ų125.377%0.77365%0.649SS**  trans-128.2122.6177.1-56.10000107.9
7V79.5Confident78.1Confident71 Ų71125.3 Ų125.343%0.4364%0.644SS.*  trans-128.8135.6-180179.80000109F17V7-F17 HydrophobicContact CB-CE1 4.2Å; V7-F17 HydrophobicContact CB-CZ 4.26Å; V7-F17 HydrophobicContact CG2-CE1 3.89Å; V7-F17 HydrophobicContact CG2-CZ 4.45Å
8S79.4Confident78.4Confident117 Ų117124.4 Ų124.482%0.81864%0.64SS**  trans-86.5122.8171.1-170.70000109.2
9I79.8Confident78.8Confident78 Ų78122.6 Ų122.640%0.463%0.631SS.*  trans-107.1119.8-178.4-55.2163.8000107.1N13 A15I9-N13 HydrophobicContact CG2-CB 3.94Å; I9-A15 HydrophobicContact CD1-CB 3.34Å; I9-A15 HydrophobicContact CG1-CB 3.83Å; I9-A15 HydrophobicContact CG2-CB 4.47Å
10P76.1Confident79.2Confident84 Ų84121.6 Ų121.655%0.54563%0.625SS.*  trans-57.1149.5174.2-22.332.1000111.3N13P10-N13 WeakPolarHBondContact O-CB 3.43Å; P10-N13 PolarHBondContact O-N 3.2Å
11G74.5Confident79.6Confident70 Ų70122.6 Ų122.672%0.72262%0.622SS**THydrogen-bonded Turntrans-55.1142.4-179.800000112.1N13G11-N13 PolarHBondContact O-N 3.16Å
12R68.3Low80.6Confident253 Ų253113.3 Ų113.396%0.95558%0.578SS**THydrogen-bonded Turntrans68.64.3-178.6-52.4179.4175.5-175.9-3.2116.1
13N70.6Confident81.1Confident104 Ų104110.8 Ų110.856%0.55656%0.562SS**PPolyproline II helixtrans-91.5152.7172.9-69.2-10.8000111.8I9 P10 G11I9-N13 HydrophobicContact CG2-CB 3.94Å; P10-N13 WeakPolarHBondContact O-CB 3.43Å; P10-N13 PolarHBondContact O-N 3.2Å; G11-N13 PolarHBondContact O-N 3.16Å
14R74.3Confident81.5Confident175 Ų175106.7 Ų106.766%0.6655%0.546SS*.PPolyproline II helixtrans-102.8128.4171.7179.1176.7170.2-172.3-3.9109V16R14-V16 HydrophobicContact CG-CG2 4.39Å
15A77.9Confident81.9Confident43 Ų4398.6 Ų98.636%0.35552%0.518SS..PPolyproline II helixtrans-103.6145.3168.200000110.1I9 F17I9-A15 HydrophobicContact CD1-CB 3.34Å; I9-A15 HydrophobicContact CG1-CB 3.83Å; I9-A15 HydrophobicContact CG2-CB 4.47Å; A15-F17 HydrophobicContact CB-CE2 3.83Å; A15-F17 HydrophobicContact CB-CZ 4.09Å
16V82.2Confident82.4Confident68 Ų68100.4 Ų100.441%0.41252%0.522SS..  trans-128.3122.5174.8-177.50000107R14 L18 L505R14-V16 HydrophobicContact CG-CG2 4.39Å; V16-L18 HydrophobicContact CG1-CD2 3.42Å; V16-L18 VanDerWaalsContact CG1-CD2 3.42Å; V16-L18 HydrophobicContact CG1-CG 4.07Å; V16-L505 HydrophobicContact CG2-CD1 4.25Å
17F83.8Confident83Confident126 Ų12695.4 Ų95.455%0.55349%0.489SS*.  trans-105.6123.9179.1-60.5-87.8000108.7T5 V7 A15T5-F17 HydrophobicContact CG2-CD1 4.39Å; T5-F17 HydrophobicContact CG2-CE1 4.41Å; V7-F17 HydrophobicContact CB-CE1 4.2Å; V7-F17 HydrophobicContact CB-CZ 4.26Å; V7-F17 HydrophobicContact CG2-CE1 3.89Å; V7-F17 HydrophobicContact CG2-CZ 4.45Å; A15-F17 HydrophobicContact CB-CE2 3.83Å; A15-F17 HydrophobicContact CB-CZ 4.09Å
18L83.1Confident83.5Confident109 Ų10995.9 Ų95.957%0.57148%0.483SS*.  trans-122.8123.4-176.6-52.4178.6000107.9V16 W437V16-L18 HydrophobicContact CG1-CD2 3.42Å; V16-L18 VanDerWaalsContact CG1-CD2 3.42Å; V16-L18 HydrophobicContact CG1-CG 4.07Å; L18-W437 HydrophobicContact CB-CZ2 3.74Å; L18-W437 VanDerWaalsContact CD1-NE1 3.33Å; L18-W437 HydrophobicContact CD2-CZ2 3.45Å; L18-W437 VanDerWaalsContact CD2-CZ2 3.45Å; L18-W437 VanDerWaalsContact CD2-NE1 3.3Å; L18-W437 HydrophobicContact CG-CZ2 4.03Å
19L86.3Confident84Confident90 Ų9095 Ų9547%0.47147%0.468SS..  trans-128125.3175.7-179.565.4000108.5F3F3-L19 HydrophobicContact CB-CD2 4.2Å; F3-L19 HydrophobicContact CD1-CD2 4.22Å; F3-L19 HydrophobicContact CD2-CD1 4.47Å; F3-L19 HydrophobicContact CE2-CD1 4.43Å; F3-L19 HydrophobicContact CG-CD2 4.07Å
20M85.8Confident84.6Confident103 Ų10392.3 Ų92.351%0.50746%0.46SS..  trans-116.2131.3173.5-172.5176.67400108.1V444M20-V444 HydrophobicContact CE-CG2 4.09Å; M20-V444 HydrophobicContact SD-CG2 4.03Å
21Y89.1Confident85.4Confident143 Ų14389.3 Ų89.356%0.56144%0.441SS*.  trans-137.6159.2173.469.4-90000109.1
22E89.6Confident86.4Confident59 Ų5986.5 Ų86.528%0.27641%0.409SS..  trans-130.1140.1-177.9-66173.1-169.500108.9V444 R451 F490E22-V444 WeakPolarHBondContact OE1-CG1 3.32Å; E22-R451 IonicContact OE1-CZ 3.13Å; E22-R451 IonicContact OE1-NE 2.83Å; E22-R451 PolarHBondContact OE1-NE 2.92Å; E22-R451 IonicContact OE1-NH2 2.68Å; E22-R451 PolarHBondContact OE1-NH2 3.25Å; E22-R451 IonicContact OE2-CZ 3.56Å; E22-R451 IonicContact OE2-NE 3.01Å; E22-R451 PolarHBondContact OE2-NE 3.16Å; E22-R451 IonicContact OE2-NH2 3.62Å; E22-R451 PolarHBondContact OE2-NH2 2.77Å; E22-F490 WeakPolarHBondContact OE2-CE1 3.29Å
23E90.8Very high87.7Confident105 Ų10578.1 Ų78.149%0.49138%0.381SS..  trans-138.3144.7173.967.2-179.8167.700110.6L25 L34E23-L25 HydrophobicContact CG-CD2 4.16Å; E23-L34 WeakPolarHBondContact OE1-CD1 3.32Å
24L92.7Very high88.8Confident39 Ų3974.5 Ų74.520%0.20436%0.361CS..  trans-89.2106.7166.2-178.566.1000107.5Q26 V452 F455 L456L24-Q26 PolarHBondContact O-N 3.16Å; L24-V452 HydrophobicContact CD1-CG1 4.22Å; L24-V452 HydrophobicContact CD1-CG2 4.37Å; L24-F455 HydrophobicContact CB-CD1 3.97Å; L24-F455 HydrophobicContact CB-CE1 3.56Å; L24-F455 HydrophobicContact CB-CZ 4.26Å; L24-F455 HydrophobicContact CD2-CD1 4.38Å; L24-F455 HydrophobicContact CD2-CE1 4.32Å; L24-L456 HydrophobicContact CD2-CD1 4.48Å; L24-L456 HydrophobicContact CD2-CD2 3.74Å; L24-L456 HydrophobicContact CD2-CG 4.23Å
25L93.8Very high89.7Confident43 Ų4369 Ų6923%0.22535%0.347CS..  trans-57.9136.6175.7-66.1178.6000109.9E23 Y32 L34 Y125E23-L25 HydrophobicContact CG-CD2 4.16Å; L25-Y32 HydrophobicContact CB-CD1 3.95Å; L25-L34 HydrophobicContact CD2-CD1 4.18Å; L25-Y125 HydrophobicContact CD1-CE1 4.28Å
26Q91.4Very high90.4Very high103 Ų10368.2 Ų68.248%0.48134%0.338SS..  trans-108.3124.8-178.5-64.7-171.6-38.700109.9L24 R28L24-Q26 PolarHBondContact O-N 3.16Å; Q26-R28 PolarHBondContact O-N 3.38Å
27R93.3Very high90.8Very high20 Ų2067.9 Ų67.98%0.07534%0.338CS..  trans-71.4123.6173-163.9176.2-178.3-99.8-2.1110.4G30 S31 Y32 D126 G373 S374 E375R27-G30 PolarHBondContact NH2-O 3.41Å; R27-S31 WeakPolarHBondContact CA-O 3.16Å; R27-Y32 HydrophobicContact CB-CD1 4.03Å; R27-Y32 HydrophobicContact CB-CE1 3.6Å; R27-Y32 HydrophobicContact CG-CE1 4.33Å; R27-Y32 HydrophobicContact CG-CE2 4.46Å; R27-D126 IonicContact CZ-OD1 2.73Å; R27-D126 IonicContact CZ-OD2 2.89Å; R27-D126 IonicContact NE-OD1 2.68Å; R27-D126 PolarHBondContact NE-OD1 3.41Å; R27-D126 IonicContact NE-OD2 3.55Å; R27-D126 PolarHBondContact NE-OD2 2.82Å; R27-D126 IonicContact NH2-OD1 3.15Å; R27-D126 IonicContact NH2-OD2 3.51Å; R27-D126 PolarHBondContact NH2-OD2 3.23Å; R27-G373 VanDerWaalsContact NH1-C 3.35Å; R27-G373 PolarHBondContact NH1-O 3.2Å; R27-S374 PolarHBondContact NH1-O 2.84Å; R27-E375 HydrophobicContact CB-CB 3.78Å
28R91.1Very high91.2Very high82 Ų8262.6 Ų62.631%0.30932%0.316SS..BIsolated β-bridgetrans-137.7139.7177.7-62.3178.2-173.8-120.57.7109.2Q26 G30 S31 E341 G373Q26-R28 PolarHBondContact O-N 3.38Å; R28-G30 PolarHBondContact O-N 2.86Å; R28-S31 PolarHBondContact N-O 3.04Å; R28-S31 PolarHBondContact O-N 2.87Å; R28-S31 PolarHBondContact O-OG 2.83Å; R28-E341 IonicContact CZ-OE2 3.29Å; R28-E341 IonicContact NH1-OE1 3.72Å; R28-E341 IonicContact NH1-OE2 2.85Å; R28-E341 PolarHBondContact NH1-OE2 3.13Å; R28-G373 CarbonylContact C-O 3.54Å
29L89.8Confident91.6Very high97 Ų9761.2 Ų61.251%0.50830%0.303SS..THydrogen-bonded Turntrans51.232178.8-55.7175.8000113.1S340 E341 G373L29-S340 VanDerWaalsContact CD2-C 3.47Å; L29-E341 HydrophobicContact CD2-CB 4.47Å; L29-E341 HydrophobicContact CD2-CG 3.97Å; L29-E341 HydrophobicContact CG-CG 4.04Å; L29-G373 PolarHBondContact N-O 2.96Å
30G91.4Very high91.7Very high22 Ų2259 Ų5923%0.22729%0.294CS..THydrogen-bonded Turntrans88.25.8177.300000115.6R27 R28 D126 G373R27-G30 PolarHBondContact NH2-O 3.41Å; R28-G30 PolarHBondContact O-N 2.86Å; G30-D126 WeakPolarHBondContact O-CB 3.3Å; G30-D126 VanDerWaalsContact O-OD2 3.07Å; G30-G373 VanDerWaalsContact N-CA 3.27Å; G30-G373 PolarHBondContact N-O 3.15Å
31S94.3Very high91.8Very high21 Ų2160.5 Ų60.515%0.14730%0.303CS..BIsolated β-bridgetrans-145.4155.6-17759.70000112.9R27 R28 R124 Y125R27-S31 WeakPolarHBondContact CA-O 3.16Å; R28-S31 PolarHBondContact N-O 3.04Å; R28-S31 PolarHBondContact O-N 2.87Å; R28-S31 PolarHBondContact O-OG 2.83Å; S31-R124 WeakPolarHBondContact OG-CD 3.4Å; S31-Y125 CarbonylContact C-O 3.59Å; S31-Y125 WeakPolarHBondContact CA-O 3.4Å
32Y95.5Very high91.4Very high12 Ų1257.2 Ų57.25%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-88.6141161.9-57.9-80.9000109.4L25 R27 R124 Y125 R129 E375L25-Y32 HydrophobicContact CB-CD1 3.95Å; R27-Y32 HydrophobicContact CB-CD1 4.03Å; R27-Y32 HydrophobicContact CB-CE1 3.6Å; R27-Y32 HydrophobicContact CG-CE1 4.33Å; R27-Y32 HydrophobicContact CG-CE2 4.46Å; Y32-R124 VanDerWaalsContact O-CA 3.3Å; Y32-R124 WeakPolarHBondContact O-CA 3.43Å; Y32-Y125 HydrophobicContact CD2-CD2 4.22Å; Y32-Y125 AromaticContact CD2-CE2 3.79Å; Y32-Y125 HydrophobicContact CD2-CE2 3.79Å; Y32-Y125 HydrophobicContact CE2-CE2 4.48Å; Y32-Y125 HydrophobicContact CG-CE1 4.48Å; Y32-Y125 HydrophobicContact CG-CE2 4.38Å; Y32-Y125 PolarHBondContact N-O 2.91Å; Y32-Y125 PolarHBondContact O-N 3.32Å; Y32-Y125 VanDerWaalsContact O-N 3.09Å; Y32-R129 PolarHBondContact OH-NH2 2.96Å; Y32-E375 PolarHBondContact OH-OE1 3.15Å; Y32-E375 PolarHBondContact OH-OE2 2.94Å
33E94.4Very high91.1Very high76 Ų7655.5 Ų55.536%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-123119.2174.2-168.1177.4110.900108.9V35 R68 V122 I123E33-V35 HydrophobicContact CG-CG2 3.93Å; E33-V35 VanDerWaalsContact OE1-CG2 3.31Å; E33-V35 WeakPolarHBondContact OE1-CG2 3.37Å; E33-R68 IonicContact OE1-CZ 3.49Å; E33-R68 IonicContact OE1-NH1 2.98Å; E33-R68 PolarHBondContact OE1-NH1 2.82Å; E33-R68 IonicContact OE1-NH2 2.94Å; E33-R68 IonicContact OE2-CZ 3.63Å; E33-R68 IonicContact OE2-NH1 3.87Å; E33-R68 IonicContact OE2-NH2 3.16Å; E33-R68 PolarHBondContact OE2-NH2 3.34Å; E33-V122 HydrophobicContact CG-CG1 3.35Å; E33-I123 WeakPolarHBondContact CA-O 3.13Å
34L94.4Very high90.8Very high28 Ų2851.7 Ų51.715%0.14727%0.27CS..EExtended strand (participates in β ladder)trans-100.5121.1170.7176.468000108.6E23 L25 V51 V122 I123E23-L34 WeakPolarHBondContact OE1-CD1 3.32Å; L25-L34 HydrophobicContact CD2-CD1 4.18Å; L34-V51 HydrophobicContact CD2-CG1 3.67Å; L34-V51 HydrophobicContact CD2-CG2 4.3Å; L34-V122 WeakPolarHBondContact O-CA 3.21Å; L34-I123 HydrophobicContact CB-CB 4.49Å; L34-I123 HydrophobicContact CD2-CD1 4.44Å; L34-I123 PolarHBondContact N-O 2.82Å; L34-I123 PolarHBondContact O-N 2.87Å
35V93Very high90.1Very high59 Ų5952 Ų5236%0.35828%0.275SS..EExtended strand (participates in β ladder)trans-116.3117.6-177.5-177.20000109.8E33 D120 V122E33-V35 HydrophobicContact CG-CG2 3.93Å; E33-V35 VanDerWaalsContact OE1-CG2 3.31Å; E33-V35 WeakPolarHBondContact OE1-CG2 3.37Å; V35-D120 HydrophobicContact CG1-CB 3.89Å; V35-V122 HydrophobicContact CG1-CG2 4.21Å; V35-V122 HydrophobicContact CG2-CG1 4.22Å; V35-V122 HydrophobicContact CG2-CG2 4.15Å
36T92.4Very high89.6Confident28 Ų2860.8 Ų60.817%0.17231%0.305CS..EExtended strand (participates in β ladder)trans-115.9115.6175.6-58.10000110.7L38 L49 F121T36-L38 HydrophobicContact CG2-CD2 4.06Å; T36-L38 PolarHBondContact O-N 2.9Å; T36-L49 HydrophobicContact CG2-CD1 3.94Å; T36-L49 HydrophobicContact CG2-CD2 4.41Å; T36-F121 PolarHBondContact N-O 2.84Å; T36-F121 PolarHBondContact O-N 3.13Å
37S91.7Very high89.4Confident60 Ų6057.3 Ų57.342%0.4229%0.29SS..EExtended strand (participates in β ladder)trans-78.6111.6179.8152.30000111.7R39 D120S37-R39 VanDerWaalsContact CB-NH1 3.3Å; S37-R39 PolarHBondContact O-N 3.24Å; S37-R39 PolarHBondContact OG-NH1 3.34Å; S37-D120 WeakPolarHBondContact CB-OD1 3.36Å
38L91.9Very high89.3Confident16 Ų1660 Ų608%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-9888.9179.4-58.7-179.1000111T36 L49 F102 L118 G119 F121T36-L38 HydrophobicContact CG2-CD2 4.06Å; T36-L38 PolarHBondContact O-N 2.9Å; L38-L49 HydrophobicContact CD1-CD2 4.34Å; L38-L49 HydrophobicContact CD2-CD2 4.44Å; L38-F102 HydrophobicContact CD1-CD1 3.72Å; L38-F102 HydrophobicContact CD1-CE1 3.52Å; L38-L118 HydrophobicContact CB-CB 4.11Å; L38-L118 WeakPolarHBondContact O-CB 3.38Å; L38-L118 PolarHBondContact O-N 3.27Å; L38-G119 PolarHBondContact N-O 2.77Å; L38-G119 PolarHBondContact O-N 3.2Å; L38-F121 HydrophobicContact CD1-CB 3.86Å; L38-F121 HydrophobicContact CD1-CD2 4.32Å; L38-F121 HydrophobicContact CD1-CG 4.42Å; L38-F121 HydrophobicContact CG-CB 4.22Å
39R90.4Very high89.4Confident79 Ų7957.2 Ų57.230%0.29830%0.303SS..  trans-134.265.2-175.8-53.6-174.5175.4104.31.4112.8S37 L41 V117 D120S37-R39 VanDerWaalsContact CB-NH1 3.3Å; S37-R39 PolarHBondContact O-N 3.24Å; S37-R39 PolarHBondContact OG-NH1 3.34Å; R39-L41 PolarHBondContact O-N 2.99Å; R39-L41 VanDerWaalsContact O-N 3.09Å; R39-V117 HydrophobicContact CG-CG1 3.96Å; R39-D120 IonicContact CZ-OD1 3.65Å; R39-D120 VanDerWaalsContact CZ-OD1 3.29Å; R39-D120 IonicContact NH1-OD1 3.57Å; R39-D120 PolarHBondContact NH1-OD1 3.36Å; R39-D120 IonicContact NH2-OD1 3.41Å; R39-D120 PolarHBondContact NH2-OD1 3.12Å; R39-D120 IonicContact NH2-OD2 2.76Å; R39-D120 PolarHBondContact NH2-OD2 2.66Å
40P88.9Confident89.4Confident43 Ų4357.2 Ų57.228%0.27930%0.303SS..  trans-63.4-8.117724-34.6000115.4Q42 V44 G116 L118P40-Q42 WeakPolarHBondContact CG-O 3.35Å; P40-Q42 PolarHBondContact O-N 3.04Å; P40-V44 HydrophobicContact CB-CG1 3.89Å; P40-G116 WeakPolarHBondContact CD-O 3.33Å; P40-G116 WeakPolarHBondContact CG-O 3.32Å; P40-L118 HydrophobicContact CG-CD1 3.92Å
41L87Confident89.4Confident135 Ų13557 Ų5771%0.70730%0.298SS*.SBendtrans63.94.9179-51.3178.9000115.1R39 N115 G116 V117R39-L41 PolarHBondContact O-N 2.99Å; R39-L41 VanDerWaalsContact O-N 3.09Å; L41-N115 CarbonylContact C-O 3.3Å; L41-G116 PolarHBondContact N-O 3.17Å; L41-V117 HydrophobicContact CD2-CG2 4.17Å
42Q81.6Confident89.3Confident74 Ų7458.6 Ų58.635%0.34631%0.306SS..SBendtrans-162.4160.6172.157.8-173.7-400108.1P40 N115P40-Q42 WeakPolarHBondContact CG-O 3.35Å; P40-Q42 PolarHBondContact O-N 3.04Å; Q42-N115 PolarHBondContact N-O 3.31Å
43L82.2Confident89.1Confident24 Ų2458.6 Ų58.613%0.12631%0.307CS..  trans-63.9140.1169.9-63.5178.1000110I106 Q109 A110 S113 R645 F797L43-I106 HydrophobicContact CB-CD1 4.06Å; L43-I106 HydrophobicContact CB-CG1 3.85Å; L43-I106 HydrophobicContact CD1-CG1 4.21Å; L43-Q109 HydrophobicContact CD2-CB 3.63Å; L43-A110 HydrophobicContact CD1-CB 3.98Å; L43-A110 HydrophobicContact CD2-CB 4.49Å; L43-S113 WeakPolarHBondContact CD2-O 3.45Å; L43-R645 PolarHBondContact O-NH1 2.74Å; L43-R645 PolarHBondContact O-NH2 2.76Å; L43-F797 HydrophobicContact CD1-CD2 4.16Å; L43-F797 HydrophobicContact CD1-CE2 3.82Å
44V84.6Confident88.8Confident24 Ų2456.9 Ų56.915%0.14530%0.302CS..  trans-123.8138.5179.7-63.50000109.6P40 R46 L47 Q109P40-V44 HydrophobicContact CB-CG1 3.89Å; V44-R46 VanDerWaalsContact C-N 3.25Å; V44-R46 PolarHBondContact O-N 3.25Å; V44-L47 HydrophobicContact CG2-CB 3.68Å; V44-L47 HydrophobicContact CG2-CD1 4.18Å; V44-L47 HydrophobicContact CG2-CG 4.42Å; V44-Q109 VanDerWaalsContact N-OE1 3.15Å; V44-Q109 PolarHBondContact O-NE2 3.49Å; V44-Q109 PolarHBondContact O-OE1 2.97Å
45S78.1Confident88.6Confident46 Ų4657 Ų5732%0.32230%0.303SS..SBendtrans-60.4-35.5178.645.40000113.3D641S45-D641 VanDerWaalsContact CB-CG 3.46Å; S45-D641 WeakPolarHBondContact CB-OD1 3.46Å; S45-D641 WeakPolarHBondContact CB-OD2 3.21Å; S45-D641 PolarHBondContact N-OD2 3.31Å; S45-D641 PolarHBondContact OG-OD1 2.7Å; S45-D641 PolarHBondContact OG-OD2 2.85Å
46R83.3Confident88.3Confident228 Ų22855.7 Ų55.786%0.8629%0.293SS*.  trans-130.1104.5-179.8-61.8179.268-178.40.6109.9V44V44-R46 VanDerWaalsContact C-N 3.25Å; V44-R46 PolarHBondContact O-N 3.25Å
47L88.6Confident88.2Confident30 Ų3055.1 Ų55.116%0.15729%0.291CS..  trans-112.9126.7167.3-17365.3000107.5V44 F102 S103 P104 Q109 L118V44-L47 HydrophobicContact CG2-CB 3.68Å; V44-L47 HydrophobicContact CG2-CD1 4.18Å; V44-L47 HydrophobicContact CG2-CG 4.42Å; L47-F102 HydrophobicContact CD2-CE1 4.49Å; L47-S103 VanDerWaalsContact O-CA 3.32Å; L47-S103 WeakPolarHBondContact O-CA 3.43Å; L47-P104 HydrophobicContact CB-CG 4.43Å; L47-P104 HydrophobicContact CD2-CG 3.91Å; L47-Q109 HydrophobicContact CD2-CG 4.49Å; L47-L118 HydrophobicContact CD2-CD1 3.94Å; L47-L118 HydrophobicContact CD2-CD2 3.81Å
48S90.9Very high88.1Confident76 Ų7655.2 Ų55.253%0.53129%0.29SS..  trans-137.4141.4169.1650000109.9F102 S103S48-F102 CarbonylContact C-O 3.5Å; S48-F102 WeakPolarHBondContact CA-O 3.35Å; S48-S103 WeakPolarHBondContact CB-OG 3.19Å
49L92.3Very high88.2Confident23 Ų2355 Ų5512%0.1229%0.289CS..EExtended strand (participates in β ladder)trans-125.8119168.117165.7000106.9T36 L38 V51 T101 F102 F121T36-L49 HydrophobicContact CG2-CD1 3.94Å; T36-L49 HydrophobicContact CG2-CD2 4.41Å; L38-L49 HydrophobicContact CD1-CD2 4.34Å; L38-L49 HydrophobicContact CD2-CD2 4.44Å; L49-V51 HydrophobicContact CD1-CG2 4.04Å; L49-V51 HydrophobicContact CG-CG2 4.13Å; L49-T101 CarbonylContact O-C 3.55Å; L49-T101 WeakPolarHBondContact O-CA 3.5Å; L49-F102 HydrophobicContact CB-CB 4.27Å; L49-F102 HydrophobicContact CB-CD1 4.42Å; L49-F102 PolarHBondContact N-O 2.9Å; L49-F102 PolarHBondContact O-N 3.22Å; L49-F121 HydrophobicContact CD2-CB 3.86Å; L49-F121 HydrophobicContact CD2-CD1 3.4Å; L49-F121 HydrophobicContact CD2-CD2 4.1Å; L49-F121 HydrophobicContact CD2-CE1 3.89Å; L49-F121 HydrophobicContact CD2-CG 3.51Å; L49-F121 HydrophobicContact CD2-CZ 4.44Å
50D90.7Very high88.4Confident98 Ų9853.4 Ų53.452%0.52429%0.287SS..EExtended strand (participates in β ladder)trans-120.6115.4180-59-62.4000108.4T101D50-T101 WeakPolarHBondContact OD1-CG2 3.26Å
51V91.9Very high88.5Confident17 Ų1757.7 Ų57.710%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-116.3126.6178.3-176.60000108.7L34 L49 I53 K99 V100 I123L34-V51 HydrophobicContact CD2-CG1 3.67Å; L34-V51 HydrophobicContact CD2-CG2 4.3Å; L49-V51 HydrophobicContact CD1-CG2 4.04Å; L49-V51 HydrophobicContact CG-CG2 4.13Å; V51-I53 HydrophobicContact CG1-CD1 4.48Å; V51-I53 HydrophobicContact CG1-CG1 4.01Å; V51-K99 CarbonylContact O-C 3.54Å; V51-K99 WeakPolarHBondContact O-CA 3.5Å; V51-V100 HydrophobicContact CB-CB 4.32Å; V51-V100 PolarHBondContact N-O 2.87Å; V51-V100 PolarHBondContact O-N 2.98Å; V51-I123 HydrophobicContact CB-CD1 3.77Å; V51-I123 HydrophobicContact CG1-CD1 3.78Å; V51-I123 HydrophobicContact CG2-CD1 3.76Å
52T90.3Very high88.8Confident54 Ų5452.7 Ų52.733%0.33128%0.282SS..EExtended strand (participates in β ladder)trans-116123.9172.7-58.30000108.8V54 V97 W98 K99 V428T52-V54 HydrophobicContact CG2-CG2 4.06Å; T52-V97 HydrophobicContact CG2-CG1 3.8Å; T52-W98 CarbonylContact C-O 3.57Å; T52-W98 WeakPolarHBondContact CA-O 3.47Å; T52-K99 HydrophobicContact CG2-CG 4.5Å; T52-V428 HydrophobicContact CG2-CB 4.28Å; T52-V428 HydrophobicContact CG2-CG1 3.83Å
53I91.9Very high89.4Confident13 Ų1352.3 Ų52.37%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-113125.4178.7-50177.7000107.8V51 I59 L62 W98 I123 Y125V51-I53 HydrophobicContact CG1-CD1 4.48Å; V51-I53 HydrophobicContact CG1-CG1 4.01Å; I53-I59 HydrophobicContact CB-CD1 4.19Å; I53-I59 HydrophobicContact CG2-CD1 3.64Å; I53-I59 HydrophobicContact CG2-CG1 4.47Å; I53-L62 HydrophobicContact CD1-CD1 3.9Å; I53-W98 HydrophobicContact CB-CB 4.36Å; I53-W98 PolarHBondContact N-O 2.92Å; I53-W98 PolarHBondContact O-N 2.85Å; I53-I123 HydrophobicContact CD1-CG2 4.01Å; I53-Y125 HydrophobicContact CD1-CD1 3.93Å; I53-Y125 HydrophobicContact CD1-CE1 4Å; I53-Y125 HydrophobicContact CD1-CG 4.47Å; I53-Y125 HydrophobicContact CG2-CD2 4.41Å; I53-Y125 HydrophobicContact CG2-CE1 4.28Å; I53-Y125 HydrophobicContact CG2-CE2 3.92Å
54V89.4Confident89.9Confident39 Ų3951.7 Ų51.724%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-134.9130.1177.6-175.60000107.6T52 V97 H421 A425T52-V54 HydrophobicContact CG2-CG2 4.06Å; V54-V97 HydrophobicContact CG2-CB 4.35Å; V54-V97 HydrophobicContact CG2-CG1 3.84Å; V54-V97 HydrophobicContact CG2-CG2 4.03Å; V54-H421 HydrophobicContact CG1-CB 4.18Å; V54-A425 HydrophobicContact CB-CB 4.09Å; V54-A425 HydrophobicContact CG1-CB 4.3Å; V54-A425 HydrophobicContact CG2-CB 3.75Å
55D89.3Confident90.2Very high32 Ų3251.9 Ų51.917%0.17128%0.277CS..  trans-137.3156.9175.7-159.1-72.1000109.7A57 I59 N96 V127 H421D55-A57 PolarHBondContact OD1-N 3.08Å; D55-I59 HydrophobicContact CB-CD1 4.33Å; D55-I59 HydrophobicContact CB-CG1 4.11Å; D55-N96 PolarHBondContact O-ND2 2.91Å; D55-V127 HydrophobicContact CB-CG1 4Å; D55-H421 PolarHBondContact O-CD2 2.82Å
56Q87.1Confident90.7Very high31 Ų3152.2 Ų52.215%0.14528%0.279CS..SBendtrans-69.9-38.1173.8-178.8166.9-63.600110.4D135 I136 Q137 T418Q56-D135 PolarHBondContact NE2-OD1 3.48Å; Q56-I136 PolarHBondContact NE2-O 3.09Å; Q56-Q137 HydrophobicContact CB-CG 4.47Å; Q56-T418 PolarHBondContact OE1-OG1 3.18Å; Q56-T418 VanDerWaalsContact OE1-OG1 3.09Å
57A89.1Confident90.9Very high16 Ų1643.3 Ų43.313%0.13225%0.248CC..SBendtrans-83.5148.617300000111.3D55 I59 N96 V127 Q128D55-A57 PolarHBondContact OD1-N 3.08Å; A57-I59 PolarHBondContact O-N 3.43Å; A57-N96 PolarHBondContact O-ND2 3.16Å; A57-V127 HydrophobicContact CB-CB 3.97Å; A57-V127 HydrophobicContact CB-CG2 4.1Å; A57-Q128 WeakPolarHBondContact CB-O 3.28Å
58P91.5Very high90.7Very high62 Ų6246.7 Ų46.740%0.40326%0.258SS..PPolyproline II helixtrans-55.5128173.1-28.436.2000112.4N96 V127 Q128P58-N96 WeakPolarHBondContact CA-OD1 3.33Å; P58-V127 CarbonylContact O-C 3.43Å; P58-V127 WeakPolarHBondContact O-CA 3.28Å; P58-Q128 HydrophobicContact CB-CB 4.09Å; P58-Q128 HydrophobicContact CG-CB 4.39Å; P58-Q128 WeakPolarHBondContact O-CB 3.46Å; P58-Q128 PolarHBondContact O-N 2.92Å
59I94.1Very high89.6Confident12 Ų1245.8 Ų45.86%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-74.9131.1176-67.8155.8000109.3I53 D55 A57 L62 N96 W98 Y125 V127I53-I59 HydrophobicContact CB-CD1 4.19Å; I53-I59 HydrophobicContact CG2-CD1 3.64Å; I53-I59 HydrophobicContact CG2-CG1 4.47Å; D55-I59 HydrophobicContact CB-CD1 4.33Å; D55-I59 HydrophobicContact CB-CG1 4.11Å; A57-I59 PolarHBondContact O-N 3.43Å; I59-L62 HydrophobicContact CG2-CB 4.19Å; I59-L62 HydrophobicContact CG2-CD1 4.2Å; I59-N96 PolarHBondContact N-OD1 2.7Å; I59-W98 VanDerWaalsContact CD1-CD1 3.5Å; I59-W98 HydrophobicContact CD1-CG 4.38Å; I59-Y125 HydrophobicContact CG2-CD2 4.02Å; I59-Y125 HydrophobicContact CG2-CG 4.45Å; I59-V127 HydrophobicContact CG1-CG1 4.13Å
60V92.8Very high87.6Confident44 Ų4452.3 Ų52.327%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-125.3157.7-179.4-59.80000110.4L62 D126 Q128V60-L62 PolarHBondContact O-N 3.3Å; V60-L62 VanDerWaalsContact O-N 3.09Å; V60-D126 HydrophobicContact CG2-CB 4.06Å; V60-D126 PolarHBondContact N-O 2.86Å; V60-D126 PolarHBondContact O-N 2.82Å; V60-Q128 HydrophobicContact CG1-CB 4.22Å
61D91.1Very high85.3Confident134 Ų13455.7 Ų55.772%0.71730%0.301SS*.EExtended strand (participates in β ladder)trans52.733.8174.8-54.9-36000114.8E63D61-E63 PolarHBondContact O-N 2.82Å
62L94.5Very high82.6Confident30 Ų3062.8 Ų62.816%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-70.5121.8175.6-173.8150.9000110.4I53 I59 V60 V91 W98 V100 I123 R124I53-L62 HydrophobicContact CD1-CD1 3.9Å; I59-L62 HydrophobicContact CG2-CB 4.19Å; I59-L62 HydrophobicContact CG2-CD1 4.2Å; V60-L62 PolarHBondContact O-N 3.3Å; V60-L62 VanDerWaalsContact O-N 3.09Å; L62-V91 HydrophobicContact CD2-CG1 3.98Å; L62-W98 HydrophobicContact CB-CE3 4.43Å; L62-W98 HydrophobicContact CB-CZ3 4.44Å; L62-W98 HydrophobicContact CD1-CB 3.81Å; L62-W98 HydrophobicContact CD1-CD2 3.77Å; L62-W98 HydrophobicContact CD1-CE3 3.83Å; L62-W98 HydrophobicContact CD1-CG 3.8Å; L62-W98 HydrophobicContact CD2-CE3 3.97Å; L62-W98 HydrophobicContact CD2-CZ3 4.18Å; L62-W98 HydrophobicContact CG-CE3 4.3Å; L62-V100 HydrophobicContact CD2-CG2 4.45Å; L62-I123 HydrophobicContact CG-CG2 4.41Å; L62-R124 CarbonylContact C-O 3.51Å; L62-R124 WeakPolarHBondContact CA-O 3.39Å
63E93.4Very high79.8Confident66 Ų6666 Ų6631%0.30836%0.356SS..EExtended strand (participates in β ladder)trans-139.2145.8177.151.2159.8-128.400111.4D61 L65 R124D61-E63 PolarHBondContact O-N 2.82Å; E63-L65 WeakPolarHBondContact OE1-CD2 3.34Å; E63-R124 HydrophobicContact CG-CB 4Å; E63-R124 PolarHBondContact N-O 2.85Å; E63-R124 PolarHBondContact O-N 3.4Å; E63-R124 IonicContact OE1-CZ 3.46Å; E63-R124 IonicContact OE1-NE 3.55Å; E63-R124 PolarHBondContact OE1-NE 3.01Å; E63-R124 IonicContact OE1-NH2 2.82Å; E63-R124 PolarHBondContact OE1-NH2 2.81Å; E63-R124 IonicContact OE2-CZ 3.25Å; E63-R124 IonicContact OE2-NH2 3.45Å; E63-R124 PolarHBondContact OE2-NH2 3.15Å
64V93.3Very high76.9Confident11 Ų1169.1 Ų69.17%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-104.3119.5171.6-178.30000107.7V85 P86 T89 V91 V100 F121 I123V64-V85 HydrophobicContact CB-CG1 4.05Å; V64-V85 HydrophobicContact CG1-CG1 4.11Å; V64-P86 HydrophobicContact CG1-CG 4.46Å; V64-T89 HydrophobicContact CB-CG2 4.48Å; V64-T89 HydrophobicContact CG1-CG2 4.24Å; V64-T89 HydrophobicContact CG2-CG2 4.16Å; V64-V91 HydrophobicContact CG2-CG2 4.08Å; V64-V100 HydrophobicContact CG2-CG1 3.86Å; V64-V100 HydrophobicContact CG2-CG2 4.49Å; V64-F121 HydrophobicContact CG1-CE1 3.84Å; V64-F121 HydrophobicContact CG1-CE2 4.02Å; V64-F121 HydrophobicContact CG1-CZ 3.45Å; V64-F121 VanDerWaalsContact CG1-CZ 3.45Å; V64-I123 HydrophobicContact CG2-CG1 4.39Å
65L90.6Very high73.8Confident27 Ų2770.7 Ų70.714%0.14142%0.416CS..EExtended strand (participates in β ladder)trans-82.2157.2-178.7-65.4-179.9000111.5E63 V122E63-L65 WeakPolarHBondContact OE1-CD2 3.34Å; L65-V122 HydrophobicContact CB-CB 4.16Å; L65-V122 HydrophobicContact CD1-CB 4.3Å; L65-V122 HydrophobicContact CD1-CG1 3.88Å; L65-V122 PolarHBondContact N-O 2.98Å
66P88.1Confident71Confident54 Ų5475 Ų7535%0.35145%0.448SS..EExtended strand (participates in β ladder)trans-54.6147.9170-24.234.1000111.6R68 S83P66-R68 PolarHBondContact O-N 3.17Å; P66-R68 VanDerWaalsContact O-N 3.15Å; P66-S83 WeakPolarHBondContact CD-OG 3.3Å
67L87.1Confident68.6Low40 Ų4077.1 Ų77.121%0.20948%0.479CS..EExtended strand (participates in β ladder)trans-55.3121.3177.2-70.6173.2000110.2P86 F102 I112 L118 D120 F121L67-P86 HydrophobicContact CD1-CB 4.43Å; L67-P86 HydrophobicContact CD2-CG 4.28Å; L67-P86 HydrophobicContact CG-CB 4.11Å; L67-P86 HydrophobicContact CG-CG 3.89Å; L67-F102 HydrophobicContact CD1-CZ 4.5Å; L67-I112 HydrophobicContact CD1-CD1 4.07Å; L67-I112 HydrophobicContact CD1-CG2 3.9Å; L67-L118 HydrophobicContact CD1-CB 4.47Å; L67-D120 WeakPolarHBondContact CA-O 3.43Å; L67-F121 HydrophobicContact CD2-CB 4.11Å; L67-F121 HydrophobicContact CD2-CD2 3.9Å; L67-F121 HydrophobicContact CD2-CG 4.48Å
68R84.9Confident65.6Low102 Ų10281.9 Ų81.939%0.38551%0.511SS..EExtended strand (participates in β ladder)trans-85.8117.3178.2-58.5-178.7-178.6162.6-0.5109.2E33 P66 G119 D120 V122E33-R68 IonicContact OE1-CZ 3.49Å; E33-R68 IonicContact OE1-NH1 2.98Å; E33-R68 PolarHBondContact OE1-NH1 2.82Å; E33-R68 IonicContact OE1-NH2 2.94Å; E33-R68 IonicContact OE2-CZ 3.63Å; E33-R68 IonicContact OE2-NH1 3.87Å; E33-R68 IonicContact OE2-NH2 3.16Å; E33-R68 PolarHBondContact OE2-NH2 3.34Å; P66-R68 PolarHBondContact O-N 3.17Å; P66-R68 VanDerWaalsContact O-N 3.15Å; R68-G119 CarbonylContact O-C 3.56Å; R68-G119 WeakPolarHBondContact O-CA 3.5Å; R68-D120 HydrophobicContact CB-CB 4.24Å; R68-D120 PolarHBondContact N-O 3.22Å; R68-D120 PolarHBondContact O-N 3.25Å; R68-V122 HydrophobicContact CG-CG2 4.25Å
69G68.6Low62.6Low57 Ų5785.9 Ų85.959%0.58853%0.529SS*.PPolyproline II helixtrans-101151.6-179.800000114K71G69-K71 PolarHBondContact O-N 2.82Å
70E49.9Very low59.8Low160 Ų16091.4 Ų91.475%0.74857%0.566SS**SBendtrans-76.498163.3-72.9-179.6165.100108.6
71K42.9Very low56.9Low168 Ų16893.7 Ų93.773%0.7359%0.589SS**  trans80.597.2177.7-58.6174.1179170.40117.1G69G69-K71 PolarHBondContact O-N 2.82Å
72I35.8Very low54.2Low166 Ų16696.4 Ų96.485%0.85160%0.595SS**  trans-96.486.9136.4-58.1173.4000106.2
73T31Very low51.8Low122 Ų12298.9 Ų98.975%0.74861%0.614SS**  trans-100.9106.3162.746.70000107.5
74G29.9Very low50.4Low79 Ų79103.2 Ų103.281%0.81464%0.635SS**  trans129.874.5170.400000114
75G25.6Very low49.2Very low71 Ų71106 Ų10673%0.73265%0.652SS**  trans-170.992.1170.400000108.7
76S29.2Very low48.5Very low123 Ų123105.3 Ų105.386%0.8665%0.649SS**  trans-54.5144.7175.61760000111.2
77G36.9Very low47.6Very low76 Ų76108.2 Ų108.278%0.78466%0.66SS**  trans-5.6112.1173.300000118
78S25.6Very low47.3Very low116 Ų116108.5 Ų108.581%0.81166%0.664SS**  trans-143147.814153.20000107.3
79D29Very low47.4Very low146 Ų146105 Ų10578%0.78165%0.654SS**  trans-40.7158.8-178.3-82.4-51000114.7A81D79-A81 PolarHBondContact O-N 3.34Å
80P34.9Very low48.3Very low128 Ų128104.6 Ų104.683%0.83164%0.644SS**  trans-61.289.3176.127.1-33.4000109.5K82P80-K82 PolarHBondContact O-N 3.36Å
81A33.6Very low50.3Low92 Ų92100 Ų10076%0.7663%0.627SS**  trans-54.4129.7170.400000106.9D79 S83D79-A81 PolarHBondContact O-N 3.34Å; A81-S83 PolarHBondContact O-N 2.76Å
82K34.4Very low52.6Low191 Ų19195.2 Ų95.283%0.8361%0.612SS**  trans-35128.6-178.2-72.5171174.6176.40111P80 E84P80-K82 PolarHBondContact O-N 3.36Å; K82-E84 VanDerWaalsContact C-N 3.29Å; K82-E84 PolarHBondContact O-N 2.87Å
83S43.7Very low55.2Low82 Ų8291.1 Ų91.157%0.57359%0.592SS**  trans-5588.2176.8-164.80000110.1P66 A81 V85P66-S83 WeakPolarHBondContact CD-OG 3.3Å; A81-S83 PolarHBondContact O-N 2.76Å; S83-V85 PolarHBondContact O-N 2.92Å
84E62.7Low57.8Low156 Ų15690.8 Ų90.873%0.72958%0.582SS**PPolyproline II helixtrans-80.7116.4176.2-77.5-176.5-179.900108.5K82K82-E84 VanDerWaalsContact C-N 3.29Å; K82-E84 PolarHBondContact O-N 2.87Å
85V69.4Low60.4Low71 Ų7194.7 Ų94.743%0.4358%0.584SS.*PPolyproline II helixtrans-52.5143.2171.6-178.90000108.6V64 S83 I87 T89V64-V85 HydrophobicContact CB-CG1 4.05Å; V64-V85 HydrophobicContact CG1-CG1 4.11Å; S83-V85 PolarHBondContact O-N 2.92Å; V85-I87 PolarHBondContact O-N 2.77Å; V85-T89 HydrophobicContact CG1-CG2 3.86Å
86P75.6Confident63.3Low12 Ų1292.8 Ų92.88%0.07856%0.557CS.*PPolyproline II helixtrans-49.6128.6177.9-27.135.6000111.6V64 L67 T88 T89 F102 F121V64-P86 HydrophobicContact CG1-CG 4.46Å; L67-P86 HydrophobicContact CD1-CB 4.43Å; L67-P86 HydrophobicContact CD2-CG 4.28Å; L67-P86 HydrophobicContact CG-CB 4.11Å; L67-P86 HydrophobicContact CG-CG 3.89Å; P86-T88 PolarHBondContact O-N 3Å; P86-T89 WeakPolarHBondContact O-CB 3.43Å; P86-T89 PolarHBondContact O-N 2.89Å; P86-T89 PolarHBondContact O-OG1 3.23Å; P86-T89 VanDerWaalsContact O-OG1 3.06Å; P86-F102 HydrophobicContact CB-CD2 4.2Å; P86-F102 HydrophobicContact CB-CE2 3.82Å; P86-F121 HydrophobicContact CB-CE2 4.29Å; P86-F121 HydrophobicContact CG-CD2 4.34Å; P86-F121 HydrophobicContact CG-CE2 4.06Å
87I68.8Low66.1Low115 Ų11587.5 Ų87.559%0.5952%0.52SS*.THydrogen-bonded Turntrans-53.5132.4180-56.9169.1000108.1V85 F102V85-I87 PolarHBondContact O-N 2.77Å; I87-F102 WeakPolarHBondContact O-CE2 3.46Å
88T80.5Confident68.8Low46 Ų4686.2 Ų86.228%0.28249%0.491SS..THydrogen-bonded Turntrans82.25.7-173.874.30000117.6P86 A90 Q108P86-T88 PolarHBondContact O-N 3Å; T88-A90 PolarHBondContact O-N 3.38Å; T88-Q108 HydrophobicContact CG2-CG 4.45Å
89T87.4Confident71.9Confident28 Ų2883.2 Ų83.217%0.17246%0.464CS..EExtended strand (participates in β ladder)trans-74.2127169.2-60.20000111V64 V85 P86 V91 V100 T101 F121V64-T89 HydrophobicContact CB-CG2 4.48Å; V64-T89 HydrophobicContact CG1-CG2 4.24Å; V64-T89 HydrophobicContact CG2-CG2 4.16Å; V85-T89 HydrophobicContact CG1-CG2 3.86Å; P86-T89 WeakPolarHBondContact O-CB 3.43Å; P86-T89 PolarHBondContact O-N 2.89Å; P86-T89 PolarHBondContact O-OG1 3.23Å; P86-T89 VanDerWaalsContact O-OG1 3.06Å; T89-V91 HydrophobicContact CG2-CG2 4.08Å; T89-V100 HydrophobicContact CG2-CG1 3.93Å; T89-T101 CarbonylContact C-O 3.6Å; T89-T101 VanDerWaalsContact CA-O 3.23Å; T89-T101 WeakPolarHBondContact CA-O 3.41Å; T89-F121 HydrophobicContact CG2-CZ 4.19Å
90A88.5Confident75Confident48 Ų4876.3 Ų76.340%0.39743%0.427SS..EExtended strand (participates in β ladder)trans-116.7132.4168.200000110T88 V100 T101T88-A90 PolarHBondContact O-N 3.38Å; A90-V100 WeakPolarHBondContact O-CA 3.46Å; A90-T101 PolarHBondContact N-O 2.81Å; A90-T101 PolarHBondContact O-N 2.83Å; A90-T101 PolarHBondContact O-OG1 3.28Å
91V90.9Very high77.7Confident63 Ų6372.6 Ų72.638%0.38240%0.402SS..EExtended strand (participates in β ladder)trans-119.2124.1179-1760000108.5L62 V64 T89 W98 K99 V100L62-V91 HydrophobicContact CD2-CG1 3.98Å; V64-V91 HydrophobicContact CG2-CG2 4.08Å; T89-V91 HydrophobicContact CG2-CG2 4.08Å; V91-W98 HydrophobicContact CG1-CE3 3.64Å; V91-W98 HydrophobicContact CG1-CZ3 3.79Å; V91-K99 WeakPolarHBondContact CA-O 3.46Å; V91-V100 HydrophobicContact CG1-CG2 4.28Å; V91-V100 HydrophobicContact CG2-CG1 4.32Å; V91-V100 HydrophobicContact CG2-CG2 4.21Å
92T90.6Very high80.5Confident69 Ų6968.2 Ų68.242%0.42337%0.366SS..EExtended strand (participates in β ladder)trans-127.7143176.959.80000110W98 K99T92-W98 WeakPolarHBondContact O-CA 3.39Å; T92-K99 PolarHBondContact N-O 2.74Å; T92-K99 PolarHBondContact O-N 3.27Å
93N90.1Very high83.2Confident80 Ų8062 Ų6243%0.42835%0.346SS..EExtended strand (participates in β ladder)trans-123.2123.3175.1175.82.9000109.3N96 V97 W98N93-N96 PolarHBondContact OD1-N 3.15Å; N93-V97 WeakPolarHBondContact CA-O 3.47Å; N93-W98 HydrophobicContact CB-CD2 3.81Å; N93-W98 HydrophobicContact CB-CE3 3.91Å; N93-W98 HydrophobicContact CB-CG 4.43Å; N93-W98 HydrophobicContact CB-CH2 4.15Å; N93-W98 HydrophobicContact CB-CZ2 4.05Å; N93-W98 HydrophobicContact CB-CZ3 4.07Å; N93-W98 VanDerWaalsContact ND2-CE2 3.3Å; N93-W98 WeakPolarHBondContact ND2-CZ2 3.27Å
94E86.4Confident85.4Confident114 Ų11458.1 Ų58.153%0.53332%0.319SS..EExtended strand (participates in β ladder)trans-127.9109.1173.1-67173.1161.800108.5N96 V97 K99E94-N96 PolarHBondContact O-N 3.01Å; E94-V97 PolarHBondContact N-O 3.18Å; E94-V97 VanDerWaalsContact O-CB 3.29Å; E94-V97 WeakPolarHBondContact O-CB 3.33Å; E94-V97 PolarHBondContact O-N 2.85Å; E94-K99 IonicContact OE2-NZ 3.74Å; E94-K99 PolarHBondContact OE2-NZ 3.36Å; E94-K99 VanDerWaalsContact OE2-NZ 3.15Å
95N83.7Confident86.3Confident162 Ų16253.6 Ų53.687%0.86630%0.3SS*.THydrogen-bonded Turntrans51.549.8176.6-61.4-31000114.7V97N95-V97 PolarHBondContact O-N 3.01Å
96N86.6Confident86.9Confident31 Ų3150.6 Ų50.617%0.16628%0.281CS..THydrogen-bonded Turntrans68.413.4-177.2-156.844.2000114.7D55 A57 P58 I59 N93 E94D55-N96 PolarHBondContact O-ND2 2.91Å; A57-N96 PolarHBondContact O-ND2 3.16Å; P58-N96 WeakPolarHBondContact CA-OD1 3.33Å; I59-N96 PolarHBondContact N-OD1 2.7Å; N93-N96 PolarHBondContact OD1-N 3.15Å; E94-N96 PolarHBondContact O-N 3.01Å
97V89.6Confident87.1Confident11 Ų1150.4 Ų50.47%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-102.2108169-1780000108.4T52 V54 N93 E94 N95 A424 V428T52-V97 HydrophobicContact CG2-CG1 3.8Å; V54-V97 HydrophobicContact CG2-CB 4.35Å; V54-V97 HydrophobicContact CG2-CG1 3.84Å; V54-V97 HydrophobicContact CG2-CG2 4.03Å; N93-V97 WeakPolarHBondContact CA-O 3.47Å; E94-V97 PolarHBondContact N-O 3.18Å; E94-V97 VanDerWaalsContact O-CB 3.29Å; E94-V97 WeakPolarHBondContact O-CB 3.33Å; E94-V97 PolarHBondContact O-N 2.85Å; N95-V97 PolarHBondContact O-N 3.01Å; V97-A424 HydrophobicContact CG2-CB 4.07Å; V97-V428 HydrophobicContact CG1-CG2 4.01Å
98W92.1Very high87.7Confident50 Ų5047.5 Ų47.519%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-95.1125.4179.7-7179000110.2T52 I53 I59 L62 V91 T92 N93T52-W98 CarbonylContact C-O 3.57Å; T52-W98 WeakPolarHBondContact CA-O 3.47Å; I53-W98 HydrophobicContact CB-CB 4.36Å; I53-W98 PolarHBondContact N-O 2.92Å; I53-W98 PolarHBondContact O-N 2.85Å; I59-W98 VanDerWaalsContact CD1-CD1 3.5Å; I59-W98 HydrophobicContact CD1-CG 4.38Å; L62-W98 HydrophobicContact CB-CE3 4.43Å; L62-W98 HydrophobicContact CB-CZ3 4.44Å; L62-W98 HydrophobicContact CD1-CB 3.81Å; L62-W98 HydrophobicContact CD1-CD2 3.77Å; L62-W98 HydrophobicContact CD1-CE3 3.83Å; L62-W98 HydrophobicContact CD1-CG 3.8Å; L62-W98 HydrophobicContact CD2-CE3 3.97Å; L62-W98 HydrophobicContact CD2-CZ3 4.18Å; L62-W98 HydrophobicContact CG-CE3 4.3Å; V91-W98 HydrophobicContact CG1-CE3 3.64Å; V91-W98 HydrophobicContact CG1-CZ3 3.79Å; T92-W98 WeakPolarHBondContact O-CA 3.39Å; N93-W98 HydrophobicContact CB-CD2 3.81Å; N93-W98 HydrophobicContact CB-CE3 3.91Å; N93-W98 HydrophobicContact CB-CG 4.43Å; N93-W98 HydrophobicContact CB-CH2 4.15Å; N93-W98 HydrophobicContact CB-CZ2 4.05Å; N93-W98 HydrophobicContact CB-CZ3 4.07Å; N93-W98 VanDerWaalsContact ND2-CE2 3.3Å; N93-W98 WeakPolarHBondContact ND2-CZ2 3.27Å
99K91.8Very high87.9Confident53 Ų5345.3 Ų45.323%0.2325%0.25CS..EExtended strand (participates in β ladder)trans-113.6124.3174.3-53175.5-165.3162.90108.8V51 T52 V91 T92 E94 V428V51-K99 CarbonylContact O-C 3.54Å; V51-K99 WeakPolarHBondContact O-CA 3.5Å; T52-K99 HydrophobicContact CG2-CG 4.5Å; V91-K99 WeakPolarHBondContact CA-O 3.46Å; T92-K99 PolarHBondContact N-O 2.74Å; T92-K99 PolarHBondContact O-N 3.27Å; E94-K99 IonicContact OE2-NZ 3.74Å; E94-K99 PolarHBondContact OE2-NZ 3.36Å; E94-K99 VanDerWaalsContact OE2-NZ 3.15Å; K99-V428 HydrophobicContact CD-CG1 3.93Å; K99-V428 VanDerWaalsContact CE-CG1 3.45Å; K99-V428 HydrophobicContact CG-CG1 4.28Å
100V93.4Very high87.5Confident1 Ų144.4 Ų44.41%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-115119.2174.5-177.70000107.3V51 L62 V64 T89 A90 V91 F121 I123V51-V100 HydrophobicContact CB-CB 4.32Å; V51-V100 PolarHBondContact N-O 2.87Å; V51-V100 PolarHBondContact O-N 2.98Å; L62-V100 HydrophobicContact CD2-CG2 4.45Å; V64-V100 HydrophobicContact CG2-CG1 3.86Å; V64-V100 HydrophobicContact CG2-CG2 4.49Å; T89-V100 HydrophobicContact CG2-CG1 3.93Å; A90-V100 WeakPolarHBondContact O-CA 3.46Å; V91-V100 HydrophobicContact CG1-CG2 4.28Å; V91-V100 HydrophobicContact CG2-CG1 4.32Å; V91-V100 HydrophobicContact CG2-CG2 4.21Å; V100-F121 HydrophobicContact CG1-CE1 4.1Å; V100-F121 HydrophobicContact CG1-CZ 4.05Å; V100-I123 HydrophobicContact CB-CD1 3.97Å; V100-I123 HydrophobicContact CG1-CD1 3.98Å; V100-I123 HydrophobicContact CG2-CD1 4.08Å
101T92.1Very high87.2Confident50 Ų5048.4 Ų48.431%0.30725%0.254SS..EExtended strand (participates in β ladder)trans-118.2136.917961.80000109.5L49 D50 T89 A90L49-T101 CarbonylContact O-C 3.55Å; L49-T101 WeakPolarHBondContact O-CA 3.5Å; D50-T101 WeakPolarHBondContact OD1-CG2 3.26Å; T89-T101 CarbonylContact C-O 3.6Å; T89-T101 VanDerWaalsContact CA-O 3.23Å; T89-T101 WeakPolarHBondContact CA-O 3.41Å; A90-T101 PolarHBondContact N-O 2.81Å; A90-T101 PolarHBondContact O-N 2.83Å; A90-T101 PolarHBondContact O-OG1 3.28Å
102F92.6Very high86.8Confident0 Ų048.4 Ų48.40%025%0.252CS..EExtended strand (participates in β ladder)trans-136.2109.6175.1171.9-105.6000108.7L38 L47 S48 L49 L67 P86 I87 P104 I112 L118 F121L38-F102 HydrophobicContact CD1-CD1 3.72Å; L38-F102 HydrophobicContact CD1-CE1 3.52Å; L47-F102 HydrophobicContact CD2-CE1 4.49Å; S48-F102 CarbonylContact C-O 3.5Å; S48-F102 WeakPolarHBondContact CA-O 3.35Å; L49-F102 HydrophobicContact CB-CB 4.27Å; L49-F102 HydrophobicContact CB-CD1 4.42Å; L49-F102 PolarHBondContact N-O 2.9Å; L49-F102 PolarHBondContact O-N 3.22Å; L67-F102 HydrophobicContact CD1-CZ 4.5Å; P86-F102 HydrophobicContact CB-CD2 4.2Å; P86-F102 HydrophobicContact CB-CE2 3.82Å; I87-F102 WeakPolarHBondContact O-CE2 3.46Å; F102-P104 HydrophobicContact CD1-CG 4.33Å; F102-P104 HydrophobicContact CE1-CG 3.63Å; F102-P104 HydrophobicContact CE2-CG 4.19Å; F102-P104 HydrophobicContact CZ-CB 4.23Å; F102-P104 HydrophobicContact CZ-CG 3.56Å; F102-I112 HydrophobicContact CZ-CD1 4.37Å; F102-L118 HydrophobicContact CE1-CD2 4.21Å; F102-L118 HydrophobicContact CZ-CD2 4.2Å; F102-F121 HydrophobicContact CB-CD2 4.35Å; F102-F121 HydrophobicContact CB-CE2 3.66Å; F102-F121 HydrophobicContact CB-CZ 4Å; F102-F121 HydrophobicContact CD1-CD2 4.14Å; F102-F121 HydrophobicContact CD1-CE2 4.19Å; F102-F121 HydrophobicContact CD2-CD2 4.46Å; F102-F121 AromaticContact CD2-CE2 3.89Å; F102-F121 HydrophobicContact CD2-CE2 3.89Å; F102-F121 HydrophobicContact CG-CD2 4.07Å; F102-F121 AromaticContact CG-CE2 3.65Å; F102-F121 HydrophobicContact CG-CE2 3.65Å; F102-F121 HydrophobicContact CG-CZ 4.47Å
103S90.6Very high86.4Confident59 Ų5946.2 Ų46.241%0.41324%0.239SC..  trans-136.268.3-171.5-67.90000112.5L47 S48L47-S103 VanDerWaalsContact O-CA 3.32Å; L47-S103 WeakPolarHBondContact O-CA 3.43Å; S48-S103 WeakPolarHBondContact CB-OG 3.19Å
104P89.3Confident85.7Confident2 Ų247 Ų471%0.01325%0.247CC..  trans-73.3132.4-178.932.5-37.6000111.2L47 F102 Q108 Q109 L118L47-P104 HydrophobicContact CB-CG 4.43Å; L47-P104 HydrophobicContact CD2-CG 3.91Å; F102-P104 HydrophobicContact CD1-CG 4.33Å; F102-P104 HydrophobicContact CE1-CG 3.63Å; F102-P104 HydrophobicContact CE2-CG 4.19Å; F102-P104 HydrophobicContact CZ-CB 4.23Å; F102-P104 HydrophobicContact CZ-CG 3.56Å; P104-Q108 HydrophobicContact CB-CB 3.97Å; P104-Q109 HydrophobicContact CB-CG 4Å; P104-Q109 HydrophobicContact CG-CG 3.86Å; P104-Q109 PolarHBondContact O-NE2 3.29Å; P104-L118 HydrophobicContact CG-CD2 4.33Å
105N82.7Confident85.3Confident61 Ų6146.1 Ų46.133%0.32625%0.246SC..  trans-71.5169.4169.370.145000111.3V107 Q108 Q109N105-V107 PolarHBondContact O-N 3.3Å; N105-V107 VanDerWaalsContact O-N 3.16Å; N105-V107 WeakPolarHBondContact OD1-CB 3.38Å; N105-V107 PolarHBondContact OD1-N 2.96Å; N105-Q108 PolarHBondContact ND2-OE1 3.4Å; N105-Q108 VanDerWaalsContact ND2-OE1 3.16Å; N105-Q108 WeakPolarHBondContact O-CB 3.31Å; N105-Q108 PolarHBondContact O-N 3.3Å; N105-Q108 PolarHBondContact OD1-N 3.49Å; N105-Q109 WeakPolarHBondContact O-CG 3.47Å; N105-Q109 PolarHBondContact O-N 2.68Å
106I82.1Confident85.2Confident7 Ų738.5 Ų38.54%0.03621%0.205CC..Hα-helixtrans-58-33.6-174.8-160.1169.9000114.2L43 A110 Y630 F797L43-I106 HydrophobicContact CB-CD1 4.06Å; L43-I106 HydrophobicContact CB-CG1 3.85Å; L43-I106 HydrophobicContact CD1-CG1 4.21Å; I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.5Å; I106-Y630 HydrophobicContact CD1-CD2 4.43Å; I106-Y630 HydrophobicContact CG2-CD2 4.47Å; I106-Y630 HydrophobicContact CG2-CE1 3.84Å; I106-Y630 HydrophobicContact CG2-CE2 3.79Å; I106-Y630 VanDerWaalsContact CG2-CZ 3.4Å; I106-Y630 WeakPolarHBondContact CG2-OH 3.39Å; I106-F797 HydrophobicContact CD1-CD2 4.41Å; I106-F797 HydrophobicContact CD1-CE2 4.38Å
107V79Confident85.2Confident8 Ų839.1 Ų39.15%0.04821%0.21CC..Hα-helixtrans-68.8-44.4178173.90000109.4N105 A110 K111 H795 T802N105-V107 PolarHBondContact O-N 3.3Å; N105-V107 VanDerWaalsContact O-N 3.16Å; N105-V107 WeakPolarHBondContact OD1-CB 3.38Å; N105-V107 PolarHBondContact OD1-N 2.96Å; V107-A110 PolarHBondContact O-N 3.19Å; V107-K111 WeakPolarHBondContact O-CG 3.42Å; V107-K111 PolarHBondContact O-N 2.88Å; V107-H795 WeakPolarHBondContact CG1-NE2 3.47Å; V107-T802 HydrophobicContact CG1-CG2 4.39Å
108Q82.6Confident85Confident54 Ų5439 Ų3925%0.25221%0.209SC..Hα-helixtrans-66.7-41.2176.6-69.6162.3-31.200111.7T88 P104 N105 A110 K111 I112T88-Q108 HydrophobicContact CG2-CG 4.45Å; P104-Q108 HydrophobicContact CB-CB 3.97Å; N105-Q108 PolarHBondContact ND2-OE1 3.4Å; N105-Q108 VanDerWaalsContact ND2-OE1 3.16Å; N105-Q108 WeakPolarHBondContact O-CB 3.31Å; N105-Q108 PolarHBondContact O-N 3.3Å; N105-Q108 PolarHBondContact OD1-N 3.49Å; Q108-A110 VanDerWaalsContact C-N 3.32Å; Q108-A110 PolarHBondContact O-N 2.9Å; Q108-K111 WeakPolarHBondContact O-CB 3.17Å; Q108-K111 PolarHBondContact O-N 3.28Å; Q108-I112 PolarHBondContact O-N 3.19Å
109Q84.7Confident84.9Confident0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-58-45.5172.6-68.2172.942.600110.9L43 V44 L47 P104 N105 K111 I112 S113 L118L43-Q109 HydrophobicContact CD2-CB 3.63Å; V44-Q109 VanDerWaalsContact N-OE1 3.15Å; V44-Q109 PolarHBondContact O-NE2 3.49Å; V44-Q109 PolarHBondContact O-OE1 2.97Å; L47-Q109 HydrophobicContact CD2-CG 4.49Å; P104-Q109 HydrophobicContact CB-CG 4Å; P104-Q109 HydrophobicContact CG-CG 3.86Å; P104-Q109 PolarHBondContact O-NE2 3.29Å; N105-Q109 WeakPolarHBondContact O-CG 3.47Å; N105-Q109 PolarHBondContact O-N 2.68Å; Q109-K111 PolarHBondContact O-N 3.39Å; Q109-I112 WeakPolarHBondContact O-CB 3.35Å; Q109-I112 PolarHBondContact O-N 2.93Å; Q109-S113 PolarHBondContact O-N 3Å; Q109-L118 HydrophobicContact CG-CD2 4.32Å
110A79Confident84.9Confident10 Ų1036 Ų368%0.08320%0.199CC..Hα-helixtrans-64.2-25.8179.900000113.7L43 I106 V107 Q108 H795L43-A110 HydrophobicContact CD1-CB 3.98Å; L43-A110 HydrophobicContact CD2-CB 4.49Å; I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.5Å; V107-A110 PolarHBondContact O-N 3.19Å; Q108-A110 VanDerWaalsContact C-N 3.32Å; Q108-A110 PolarHBondContact O-N 2.9Å; A110-H795 HydrophobicContact CB-CB 4.34Å
111K81.6Confident84.9Confident131 Ų13136 Ų3657%0.5720%0.2SC*.Hα-helixtrans-71.8-32.2171.7-68.1-178.9-176.3-171.60112.5V107 Q108 Q109V107-K111 WeakPolarHBondContact O-CG 3.42Å; V107-K111 PolarHBondContact O-N 2.88Å; Q108-K111 WeakPolarHBondContact O-CB 3.17Å; Q108-K111 PolarHBondContact O-N 3.28Å; Q109-K111 PolarHBondContact O-N 3.39Å
112I81.8Confident85Confident64 Ų6433.6 Ų33.633%0.32819%0.185SC..Hα-helixtrans-79-51.2176.9-60.7166.3000109.8L67 F102 Q108 Q109 L118L67-I112 HydrophobicContact CD1-CD1 4.07Å; L67-I112 HydrophobicContact CD1-CG2 3.9Å; F102-I112 HydrophobicContact CZ-CD1 4.37Å; Q108-I112 PolarHBondContact O-N 3.19Å; Q109-I112 WeakPolarHBondContact O-CB 3.35Å; Q109-I112 PolarHBondContact O-N 2.93Å; I112-L118 HydrophobicContact CD1-CD2 4.07Å; I112-L118 HydrophobicContact CG2-CB 4.34Å; I112-L118 HydrophobicContact CG2-CG 4.46Å
113S82Confident85.1Confident23 Ų2333.7 Ų33.716%0.16119%0.185CC..  trans-158.4131.8-176179.80000112.1L43 Q109 N115 V117L43-S113 WeakPolarHBondContact CD2-O 3.45Å; Q109-S113 PolarHBondContact O-N 3Å; S113-N115 PolarHBondContact OG-OD1 3.49Å; S113-V117 WeakPolarHBondContact CB-O 3.34Å; S113-V117 PolarHBondContact OG-O 2.94Å
114T76.7Confident85.4Confident97 Ų9735.4 Ų35.460%0.59518%0.183SC*.THydrogen-bonded Turntrans-84.1-15.9-179.354.30000113.7
115N77.9Confident85.7Confident95 Ų9536.4 Ų36.451%0.50819%0.186SC..THydrogen-bonded Turntrans-98.23.117970.48.8000113.3L41 Q42 S113 V117L41-N115 CarbonylContact C-O 3.3Å; Q42-N115 PolarHBondContact N-O 3.31Å; S113-N115 PolarHBondContact OG-OD1 3.49Å; N115-V117 VanDerWaalsContact C-N 3.33Å; N115-V117 PolarHBondContact O-N 3.1Å; N115-V117 VanDerWaalsContact OD1-CB 3.28Å; N115-V117 WeakPolarHBondContact OD1-CB 3.4Å; N115-V117 WeakPolarHBondContact OD1-CG2 3.33Å; N115-V117 PolarHBondContact OD1-N 3.47Å
116G80.5Confident86.3Confident1 Ų133.8 Ų33.81%0.0117%0.172CC..SBendtrans74.415.7-178.400000114.8P40 L41P40-G116 WeakPolarHBondContact CD-O 3.33Å; P40-G116 WeakPolarHBondContact CG-O 3.32Å; L41-G116 PolarHBondContact N-O 3.17Å
117V87.2Confident86.8Confident45 Ų4533.6 Ų33.627%0.27317%0.171SC..  trans-98.199.5168.4-179.10000107.5R39 L41 S113 N115R39-V117 HydrophobicContact CG-CG1 3.96Å; L41-V117 HydrophobicContact CD2-CG2 4.17Å; S113-V117 WeakPolarHBondContact CB-O 3.34Å; S113-V117 PolarHBondContact OG-O 2.94Å; N115-V117 VanDerWaalsContact C-N 3.33Å; N115-V117 PolarHBondContact O-N 3.1Å; N115-V117 VanDerWaalsContact OD1-CB 3.28Å; N115-V117 WeakPolarHBondContact OD1-CB 3.4Å; N115-V117 WeakPolarHBondContact OD1-CG2 3.33Å; N115-V117 PolarHBondContact OD1-N 3.47Å
118L86Confident87.4Confident9 Ų938 Ų385%0.04719%0.192CC..  trans-82.8-32.2-177-67.490.8000112.1L38 P40 L47 L67 F102 P104 Q109 I112L38-L118 HydrophobicContact CB-CB 4.11Å; L38-L118 WeakPolarHBondContact O-CB 3.38Å; L38-L118 PolarHBondContact O-N 3.27Å; P40-L118 HydrophobicContact CG-CD1 3.92Å; L47-L118 HydrophobicContact CD2-CD1 3.94Å; L47-L118 HydrophobicContact CD2-CD2 3.81Å; L67-L118 HydrophobicContact CD1-CB 4.47Å; F102-L118 HydrophobicContact CE1-CD2 4.21Å; F102-L118 HydrophobicContact CZ-CD2 4.2Å; P104-L118 HydrophobicContact CG-CD2 4.33Å; Q109-L118 HydrophobicContact CG-CD2 4.32Å; I112-L118 HydrophobicContact CD1-CD2 4.07Å; I112-L118 HydrophobicContact CG2-CB 4.34Å; I112-L118 HydrophobicContact CG2-CG 4.46Å
119G89.4Confident87.6Confident2 Ų237.3 Ų37.32%0.02119%0.187CC..EExtended strand (participates in β ladder)trans114.8-166.6-178.100000112.5L38 R68L38-G119 PolarHBondContact N-O 2.77Å; L38-G119 PolarHBondContact O-N 3.2Å; R68-G119 CarbonylContact O-C 3.56Å; R68-G119 WeakPolarHBondContact O-CA 3.5Å
120D91.8Very high87Confident36 Ų3643.4 Ų43.419%0.19322%0.219CC..EExtended strand (participates in β ladder)trans-92.4124178.4-55.7-34.7000110.1V35 S37 R39 L67 R68 V122V35-D120 HydrophobicContact CG1-CB 3.89Å; S37-D120 WeakPolarHBondContact CB-OD1 3.36Å; R39-D120 IonicContact CZ-OD1 3.65Å; R39-D120 VanDerWaalsContact CZ-OD1 3.29Å; R39-D120 IonicContact NH1-OD1 3.57Å; R39-D120 PolarHBondContact NH1-OD1 3.36Å; R39-D120 IonicContact NH2-OD1 3.41Å; R39-D120 PolarHBondContact NH2-OD1 3.12Å; R39-D120 IonicContact NH2-OD2 2.76Å; R39-D120 PolarHBondContact NH2-OD2 2.66Å; L67-D120 WeakPolarHBondContact CA-O 3.43Å; R68-D120 HydrophobicContact CB-CB 4.24Å; R68-D120 PolarHBondContact N-O 3.22Å; R68-D120 PolarHBondContact O-N 3.25Å; D120-V122 HydrophobicContact CB-CG2 4.35Å
121F93.6Very high86.6Confident2 Ų249.4 Ų49.41%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-87.4122.4171.6-168.1-83.7000108.7T36 L38 L49 V64 L67 P86 T89 V100 F102 I123T36-F121 PolarHBondContact N-O 2.84Å; T36-F121 PolarHBondContact O-N 3.13Å; L38-F121 HydrophobicContact CD1-CB 3.86Å; L38-F121 HydrophobicContact CD1-CD2 4.32Å; L38-F121 HydrophobicContact CD1-CG 4.42Å; L38-F121 HydrophobicContact CG-CB 4.22Å; L49-F121 HydrophobicContact CD2-CB 3.86Å; L49-F121 HydrophobicContact CD2-CD1 3.4Å; L49-F121 HydrophobicContact CD2-CD2 4.1Å; L49-F121 HydrophobicContact CD2-CE1 3.89Å; L49-F121 HydrophobicContact CD2-CG 3.51Å; L49-F121 HydrophobicContact CD2-CZ 4.44Å; V64-F121 HydrophobicContact CG1-CE1 3.84Å; V64-F121 HydrophobicContact CG1-CE2 4.02Å; V64-F121 HydrophobicContact CG1-CZ 3.45Å; V64-F121 VanDerWaalsContact CG1-CZ 3.45Å; L67-F121 HydrophobicContact CD2-CB 4.11Å; L67-F121 HydrophobicContact CD2-CD2 3.9Å; L67-F121 HydrophobicContact CD2-CG 4.48Å; P86-F121 HydrophobicContact CB-CE2 4.29Å; P86-F121 HydrophobicContact CG-CD2 4.34Å; P86-F121 HydrophobicContact CG-CE2 4.06Å; T89-F121 HydrophobicContact CG2-CZ 4.19Å; V100-F121 HydrophobicContact CG1-CE1 4.1Å; V100-F121 HydrophobicContact CG1-CZ 4.05Å; F102-F121 HydrophobicContact CB-CD2 4.35Å; F102-F121 HydrophobicContact CB-CE2 3.66Å; F102-F121 HydrophobicContact CB-CZ 4Å; F102-F121 HydrophobicContact CD1-CD2 4.14Å; F102-F121 HydrophobicContact CD1-CE2 4.19Å; F102-F121 HydrophobicContact CD2-CD2 4.46Å; F102-F121 AromaticContact CD2-CE2 3.89Å; F102-F121 HydrophobicContact CD2-CE2 3.89Å; F102-F121 HydrophobicContact CG-CD2 4.07Å; F102-F121 AromaticContact CG-CE2 3.65Å; F102-F121 HydrophobicContact CG-CE2 3.65Å; F102-F121 HydrophobicContact CG-CZ 4.47Å; F121-I123 HydrophobicContact CD1-CD1 4.48Å; F121-I123 HydrophobicContact CD1-CG1 4.12Å; F121-I123 HydrophobicContact CE1-CD1 3.95Å; F121-I123 HydrophobicContact CE1-CG1 3.7Å
122V94Very high86.6Confident0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-124.7124-170.4-174.90000110.6E33 L34 V35 L65 R68 D120E33-V122 HydrophobicContact CG-CG1 3.35Å; L34-V122 WeakPolarHBondContact O-CA 3.21Å; V35-V122 HydrophobicContact CG1-CG2 4.21Å; V35-V122 HydrophobicContact CG2-CG1 4.22Å; V35-V122 HydrophobicContact CG2-CG2 4.15Å; L65-V122 HydrophobicContact CB-CB 4.16Å; L65-V122 HydrophobicContact CD1-CB 4.3Å; L65-V122 HydrophobicContact CD1-CG1 3.88Å; L65-V122 PolarHBondContact N-O 2.98Å; R68-V122 HydrophobicContact CG-CG2 4.25Å; D120-V122 HydrophobicContact CB-CG2 4.35Å
123I95.2Very high86.9Confident1 Ų142.5 Ų42.51%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-110.8127.9172.4-56171.8000107.6E33 L34 V51 I53 L62 V64 V100 F121E33-I123 WeakPolarHBondContact CA-O 3.13Å; L34-I123 HydrophobicContact CB-CB 4.49Å; L34-I123 HydrophobicContact CD2-CD1 4.44Å; L34-I123 PolarHBondContact N-O 2.82Å; L34-I123 PolarHBondContact O-N 2.87Å; V51-I123 HydrophobicContact CB-CD1 3.77Å; V51-I123 HydrophobicContact CG1-CD1 3.78Å; V51-I123 HydrophobicContact CG2-CD1 3.76Å; I53-I123 HydrophobicContact CD1-CG2 4.01Å; L62-I123 HydrophobicContact CG-CG2 4.41Å; V64-I123 HydrophobicContact CG2-CG1 4.39Å; V100-I123 HydrophobicContact CB-CD1 3.97Å; V100-I123 HydrophobicContact CG1-CD1 3.98Å; V100-I123 HydrophobicContact CG2-CD1 4.08Å; F121-I123 HydrophobicContact CD1-CD1 4.48Å; F121-I123 HydrophobicContact CD1-CG1 4.12Å; F121-I123 HydrophobicContact CE1-CD1 3.95Å; F121-I123 HydrophobicContact CE1-CG1 3.7Å
124R95.7Very high87.1Confident96 Ų9642.7 Ų42.736%0.36224%0.237SC..EExtended strand (participates in β ladder)trans-118135.9175.1-175.5171.666.3154.92.8109.2S31 Y32 L62 E63S31-R124 WeakPolarHBondContact OG-CD 3.4Å; Y32-R124 VanDerWaalsContact O-CA 3.3Å; Y32-R124 WeakPolarHBondContact O-CA 3.43Å; L62-R124 CarbonylContact C-O 3.51Å; L62-R124 WeakPolarHBondContact CA-O 3.39Å; E63-R124 HydrophobicContact CG-CB 4Å; E63-R124 PolarHBondContact N-O 2.85Å; E63-R124 PolarHBondContact O-N 3.4Å; E63-R124 IonicContact OE1-CZ 3.46Å; E63-R124 IonicContact OE1-NE 3.55Å; E63-R124 PolarHBondContact OE1-NE 3.01Å; E63-R124 IonicContact OE1-NH2 2.82Å; E63-R124 PolarHBondContact OE1-NH2 2.81Å; E63-R124 IonicContact OE2-CZ 3.25Å; E63-R124 IonicContact OE2-NH2 3.45Å; E63-R124 PolarHBondContact OE2-NH2 3.15Å
125Y95.8Very high87.8Confident22 Ų2239.9 Ų39.99%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-155.1165177.371.5-79.5000110.4L25 S31 Y32 I53 I59 V127L25-Y125 HydrophobicContact CD1-CE1 4.28Å; S31-Y125 CarbonylContact C-O 3.59Å; S31-Y125 WeakPolarHBondContact CA-O 3.4Å; Y32-Y125 HydrophobicContact CD2-CD2 4.22Å; Y32-Y125 AromaticContact CD2-CE2 3.79Å; Y32-Y125 HydrophobicContact CD2-CE2 3.79Å; Y32-Y125 HydrophobicContact CE2-CE2 4.48Å; Y32-Y125 HydrophobicContact CG-CE1 4.48Å; Y32-Y125 HydrophobicContact CG-CE2 4.38Å; Y32-Y125 PolarHBondContact N-O 2.91Å; Y32-Y125 PolarHBondContact O-N 3.32Å; Y32-Y125 VanDerWaalsContact O-N 3.09Å; I53-Y125 HydrophobicContact CD1-CD1 3.93Å; I53-Y125 HydrophobicContact CD1-CE1 4Å; I53-Y125 HydrophobicContact CD1-CG 4.47Å; I53-Y125 HydrophobicContact CG2-CD2 4.41Å; I53-Y125 HydrophobicContact CG2-CE1 4.28Å; I53-Y125 HydrophobicContact CG2-CE2 3.92Å; I59-Y125 HydrophobicContact CG2-CD2 4.02Å; I59-Y125 HydrophobicContact CG2-CG 4.45Å; Y125-V127 HydrophobicContact CD2-CG1 4.37Å; Y125-V127 HydrophobicContact CE2-CG1 4.19Å
126D95.3Very high88.5Confident6 Ų635.7 Ų35.73%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-130.1177.9162.5-166.620000108.6R27 G30 V60 R129 K150R27-D126 IonicContact CZ-OD1 2.73Å; R27-D126 IonicContact CZ-OD2 2.89Å; R27-D126 IonicContact NE-OD1 2.68Å; R27-D126 PolarHBondContact NE-OD1 3.41Å; R27-D126 IonicContact NE-OD2 3.55Å; R27-D126 PolarHBondContact NE-OD2 2.82Å; R27-D126 IonicContact NH2-OD1 3.15Å; R27-D126 IonicContact NH2-OD2 3.51Å; R27-D126 PolarHBondContact NH2-OD2 3.23Å; G30-D126 WeakPolarHBondContact O-CB 3.3Å; G30-D126 VanDerWaalsContact O-OD2 3.07Å; V60-D126 HydrophobicContact CG2-CB 4.06Å; V60-D126 PolarHBondContact N-O 2.86Å; V60-D126 PolarHBondContact O-N 2.82Å; D126-R129 IonicContact OD1-CZ 3.14Å; D126-R129 IonicContact OD1-NE 3.78Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-R129 PolarHBondContact OD1-NH2 2.88Å; D126-K150 IonicContact OD2-NZ 3.15Å
127V93.7Very high89.1Confident3 Ų336.2 Ų36.22%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-119.6150.1171.2-55.10000110D55 A57 P58 I59 Y125 R129D55-V127 HydrophobicContact CB-CG1 4Å; A57-V127 HydrophobicContact CB-CB 3.97Å; A57-V127 HydrophobicContact CB-CG2 4.1Å; P58-V127 CarbonylContact O-C 3.43Å; P58-V127 WeakPolarHBondContact O-CA 3.28Å; I59-V127 HydrophobicContact CG1-CG1 4.13Å; Y125-V127 HydrophobicContact CD2-CG1 4.37Å; Y125-V127 HydrophobicContact CE2-CG1 4.19Å; V127-R129 VanDerWaalsContact CG2-NE 3.33Å; V127-R129 WeakPolarHBondContact O-CD 3.19Å; V127-R129 WeakPolarHBondContact O-CG 3.45Å; V127-R129 PolarHBondContact O-N 3.43Å; V127-R129 PolarHBondContact O-NE 2.84Å
128Q91.1Very high89.4Confident102 Ų10234.1 Ų34.148%0.47719%0.186SC..  trans-57.1133.7172.7-176.9168.93.600108.6A57 P58 V60A57-Q128 WeakPolarHBondContact CB-O 3.28Å; P58-Q128 HydrophobicContact CB-CB 4.09Å; P58-Q128 HydrophobicContact CG-CB 4.39Å; P58-Q128 WeakPolarHBondContact O-CB 3.46Å; P58-Q128 PolarHBondContact O-N 2.92Å; V60-Q128 HydrophobicContact CG1-CB 4.22Å
129R87.3Confident89.7Confident39 Ų3934.1 Ų34.115%0.14719%0.186CC..  trans-113.8129.1-176-57-56.4176153.21.4109.4Y32 D126 V127 K150 E375Y32-R129 PolarHBondContact OH-NH2 2.96Å; D126-R129 IonicContact OD1-CZ 3.14Å; D126-R129 IonicContact OD1-NE 3.78Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-R129 PolarHBondContact OD1-NH2 2.88Å; V127-R129 VanDerWaalsContact CG2-NE 3.33Å; V127-R129 WeakPolarHBondContact O-CD 3.19Å; V127-R129 WeakPolarHBondContact O-CG 3.45Å; V127-R129 PolarHBondContact O-N 3.43Å; V127-R129 PolarHBondContact O-NE 2.84Å; R129-K150 HydrophobicContact CB-CD 4Å; R129-K150 HydrophobicContact CB-CG 4.37Å; R129-K150 HydrophobicContact CG-CD 4.18Å; R129-K150 VanDerWaalsContact CG-CE 3.44Å; R129-E375 IonicContact CZ-OE1 3.31Å; R129-E375 IonicContact NH1-OE1 2.67Å; R129-E375 PolarHBondContact NH1-OE1 2.84Å; R129-E375 IonicContact NH2-OE1 3.9Å
130D72.3Confident89.6Confident127 Ų12736.8 Ų36.868%0.67920%0.2SC*.  trans-82.3148.8171.7-69.7-18.4000110.5
131T70.4Confident89.5Confident136 Ų13635.4 Ų35.483%0.83419%0.194SC*.SBendtrans-77.8135.9173.252.70000110
132G81.8Confident89.6Confident30 Ų3035.5 Ų35.531%0.30920%0.195SC..SBendtrans128.8-140.817600000111.9G134G132-G134 PolarHBondContact O-N 2.99Å
133I86.5Confident89.6Confident20 Ų2035.5 Ų35.510%0.10320%0.195CC..SBendtrans-70.2-12.5-176.161.4141.9000114.1I136 H145 F147 V392 V394 M405 T407 V409I133-I136 HydrophobicContact CD1-CD1 3.59Å; I133-I136 HydrophobicContact CD1-CG1 4.45Å; I133-H145 PolarHBondContact O-CE1 3.38Å; I133-H145 PolarHBondContact O-NE2 3.23Å; I133-F147 WeakPolarHBondContact O-CD2 3.34Å; I133-V392 HydrophobicContact CD1-CB 4.07Å; I133-V392 HydrophobicContact CD1-CG1 4.04Å; I133-V394 HydrophobicContact CB-CG2 4.16Å; I133-V394 HydrophobicContact CG2-CG2 4.12Å; I133-M405 HydrophobicContact CG2-CB 3.78Å; I133-T407 HydrophobicContact CB-CG2 4.37Å; I133-T407 HydrophobicContact CD1-CG2 3.2Å; I133-T407 HydrophobicContact CG1-CG2 3.5Å; I133-T407 HydrophobicContact CG2-CG2 4.03Å; I133-V409 HydrophobicContact CD1-CG2 4.11Å
134G87.8Confident89.7Confident27 Ų2735.5 Ų35.528%0.27819%0.194SC..  trans105.7-169.2-175.100000113.2G132 Y146G132-G134 PolarHBondContact O-N 2.99Å; G134-Y146 CarbonylContact C-O 3.48Å; G134-Y146 VanDerWaalsContact CA-O 3.27Å; G134-Y146 WeakPolarHBondContact CA-O 3.28Å
135D90.5Very high89.6Confident39 Ų3930.9 Ų30.921%0.20918%0.177CC..EExtended strand (participates in β ladder)trans-98.2136.3179.3-178.845.4000110.8Q56 Q137 H145 Y146Q56-D135 PolarHBondContact NE2-OD1 3.48Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.45Å; D135-Q137 PolarHBondContact OD2-NE2 3.49Å; D135-H145 CarbonylContact O-C 3.54Å; D135-H145 WeakPolarHBondContact O-CA 3.48Å; D135-H145 PolarHBondContact O-CD2 3.32Å; D135-Y146 PolarHBondContact N-O 3.36Å; D135-Y146 PolarHBondContact O-N 2.9Å
136I92.6Very high89.6Confident6 Ų631.4 Ų31.43%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-123.5128.1177.2-63.2171.2000108.6Q56 I133 V138 F143 V144 H145 V392 V409 L414Q56-I136 PolarHBondContact NE2-O 3.09Å; I133-I136 HydrophobicContact CD1-CD1 3.59Å; I133-I136 HydrophobicContact CD1-CG1 4.45Å; I136-V138 HydrophobicContact CG2-CG2 3.94Å; I136-F143 HydrophobicContact CG2-CB 4.29Å; I136-V144 WeakPolarHBondContact CA-O 3.17Å; I136-H145 HydrophobicContact CG1-CB 4Å; I136-H145 WeakPolarHBondContact CG1-CD2 3.45Å; I136-V392 HydrophobicContact CD1-CG2 3.91Å; I136-V409 HydrophobicContact CD1-CG1 4.41Å; I136-V409 HydrophobicContact CD1-CG2 3.84Å; I136-L414 HydrophobicContact CB-CD1 3.91Å; I136-L414 HydrophobicContact CG2-CD1 3.88Å; I136-L414 WeakPolarHBondContact O-CD1 3.2Å
137Q93.6Very high89.5Confident12 Ų1231.2 Ų31.26%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-114.9132.2177.6-60.1178.712.800108.5Q56 D135 F143 V144 Y146 T418 F448Q56-Q137 HydrophobicContact CB-CG 4.47Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.45Å; D135-Q137 PolarHBondContact OD2-NE2 3.49Å; Q137-F143 CarbonylContact O-C 3.56Å; Q137-F143 WeakPolarHBondContact O-CA 3.35Å; Q137-F143 WeakPolarHBondContact O-CB 3.32Å; Q137-V144 PolarHBondContact N-O 2.99Å; Q137-V144 PolarHBondContact O-N 3.04Å; Q137-Y146 HydrophobicContact CG-CE2 4.33Å; Q137-T418 HydrophobicContact CB-CG2 4.42Å; Q137-F448 VanDerWaalsContact OE1-CE2 3.27Å; Q137-F448 VanDerWaalsContact OE1-CZ 3.26Å
138V93.1Very high89.5Confident2 Ų231.4 Ų31.41%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-127.9127.9-172.3-176.20000109.4I136 H142 F143 L382 L411 L414 Q415 T418I136-V138 HydrophobicContact CG2-CG2 3.94Å; V138-H142 WeakPolarHBondContact CA-O 3.25Å; V138-F143 HydrophobicContact CG2-CB 4.04Å; V138-L382 HydrophobicContact CG1-CD1 4.35Å; V138-L411 HydrophobicContact CG1-CD2 4.36Å; V138-L411 HydrophobicContact CG2-CD2 3.98Å; V138-L414 HydrophobicContact CB-CB 4.27Å; V138-L414 HydrophobicContact CG2-CB 3.95Å; V138-L414 HydrophobicContact CG2-CD1 3.96Å; V138-Q415 HydrophobicContact CB-CB 4.5Å; V138-Q415 HydrophobicContact CG1-CB 4.42Å; V138-Q415 WeakPolarHBondContact O-CA 3.43Å; V138-T418 PolarHBondContact N-OG1 2.89Å; V138-T418 WeakPolarHBondContact O-CB 3.49Å
139L91.9Very high89.3Confident8 Ų827 Ų274%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-157.6141.4176.7-164.362.9000111.2G141 H142 T418 E419 V422 A446 F448 V449L139-G141 PolarHBondContact O-N 3.35Å; L139-G141 VanDerWaalsContact O-N 3.08Å; L139-H142 PolarHBondContact N-O 3.41Å; L139-H142 PolarHBondContact O-N 2.91Å; L139-T418 HydrophobicContact CB-CG2 4.25Å; L139-T418 HydrophobicContact CD2-CG2 4.48Å; L139-E419 HydrophobicContact CD1-CG 3.46Å; L139-E419 VanDerWaalsContact CD1-CG 3.46Å; L139-V422 HydrophobicContact CD2-CG2 4.07Å; L139-A446 WeakPolarHBondContact CD2-O 3.41Å; L139-F448 HydrophobicContact CD2-CD1 4.26Å; L139-F448 HydrophobicContact CD2-CE1 4.19Å; L139-V449 HydrophobicContact CB-CB 3.91Å; L139-V449 HydrophobicContact CB-CG1 4.49Å; L139-V449 HydrophobicContact CB-CG2 3.54Å; L139-V449 HydrophobicContact CD2-CG2 4.34Å
140N88.1Confident89Confident58 Ų5829 Ų2931%0.3117%0.17SC..THydrogen-bonded Turntrans51.535.4173.8-65.2-19000114.6H142 R385 D447N140-H142 VanDerWaalsContact C-N 3.3Å; N140-H142 PolarHBondContact O-N 3.24Å; N140-H142 PolarHBondContact O-ND1 3.39Å; N140-R385 PolarHBondContact O-NH2 2.97Å; N140-D447 PolarHBondContact ND2-OD1 3.15Å
141G90.5Very high89.2Confident7 Ų730.3 Ų30.37%0.07218%0.177CC..THydrogen-bonded Turntrans74.915.2-178.900000114.8L139 L382L139-G141 PolarHBondContact O-N 3.35Å; L139-G141 VanDerWaalsContact O-N 3.08Å; G141-L382 WeakPolarHBondContact O-CB 3.21Å; G141-L382 PolarHBondContact O-N 3.48Å
142H94.6Very high89.8Confident5 Ų525.6 Ų25.62%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-120.2160.3173.1-59.678.7000109.4V138 L139 N140 G380 V449 W453V138-H142 WeakPolarHBondContact CA-O 3.25Å; L139-H142 PolarHBondContact N-O 3.41Å; L139-H142 PolarHBondContact O-N 2.91Å; N140-H142 VanDerWaalsContact C-N 3.3Å; N140-H142 PolarHBondContact O-N 3.24Å; N140-H142 PolarHBondContact O-ND1 3.39Å; H142-G380 CarbonylContact C-O 3.6Å; H142-G380 VanDerWaalsContact CA-O 3.26Å; H142-G380 WeakPolarHBondContact CA-O 3.18Å; H142-V449 HydrophobicContact CB-CG1 3.84Å; H142-V449 WeakPolarHBondContact O-CG1 3.41Å; H142-W453 AromaticContact CD2-CD2 3.76Å; H142-W453 AromaticContact CD2-CE3 3.95Å; H142-W453 AromaticContact CD2-CG 3.85Å; H142-W453 AromaticContact NE2-CE3 3.96Å
143F95Very high90Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-137.2154.3171.270.7-94.3000111.6I136 Q137 V138 H145 Y354 V359 V362 A379 G380 L382 L390I136-F143 HydrophobicContact CG2-CB 4.29Å; Q137-F143 CarbonylContact O-C 3.56Å; Q137-F143 WeakPolarHBondContact O-CA 3.35Å; Q137-F143 WeakPolarHBondContact O-CB 3.32Å; V138-F143 HydrophobicContact CG2-CB 4.04Å; F143-H145 HydrophobicContact CD2-CB 4.38Å; F143-H145 HydrophobicContact CE2-CB 4.42Å; F143-Y354 HydrophobicContact CD2-CE1 4.45Å; F143-Y354 HydrophobicContact CE2-CD1 4.08Å; F143-Y354 AromaticContact CE2-CE1 3.44Å; F143-Y354 HydrophobicContact CE2-CE1 3.44Å; F143-Y354 VanDerWaalsContact CE2-CE1 3.44Å; F143-Y354 HydrophobicContact CE2-CE2 4.25Å; F143-Y354 AromaticContact CE2-CZ 3.53Å; F143-Y354 AromaticContact CZ-CD1 3.76Å; F143-Y354 HydrophobicContact CZ-CD1 3.76Å; F143-Y354 HydrophobicContact CZ-CD2 4.25Å; F143-Y354 AromaticContact CZ-CE1 3.6Å; F143-Y354 HydrophobicContact CZ-CE1 3.6Å; F143-Y354 HydrophobicContact CZ-CE2 4.1Å; F143-Y354 HydrophobicContact CZ-CG 4.09Å; F143-Y354 AromaticContact CZ-CZ 3.77Å; F143-V359 HydrophobicContact CE1-CG1 3.83Å; F143-V359 HydrophobicContact CE1-CG2 4Å; F143-V359 HydrophobicContact CZ-CG1 4.28Å; F143-V362 HydrophobicContact CE1-CG2 4.28Å; F143-V362 HydrophobicContact CE2-CG2 4.48Å; F143-V362 HydrophobicContact CZ-CG2 3.61Å; F143-A379 CarbonylContact O-C 3.59Å; F143-A379 VanDerWaalsContact O-CA 3.27Å; F143-A379 WeakPolarHBondContact O-CA 3.26Å; F143-G380 PolarHBondContact N-O 3.45Å; F143-G380 PolarHBondContact O-N 3.17Å; F143-L382 HydrophobicContact CD1-CD2 3.91Å; F143-L382 HydrophobicContact CD1-CG 4.34Å; F143-L382 HydrophobicContact CE1-CD2 4.19Å; F143-L390 HydrophobicContact CD1-CD2 4.43Å; F143-L390 HydrophobicContact CE1-CD2 4.28Å
144V95.8Very high90.1Very high0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-125.2133.4166.6-176.50000108I136 Q137 Y146 V377 V378 A379 V449 V452I136-V144 WeakPolarHBondContact CA-O 3.17Å; Q137-V144 PolarHBondContact N-O 2.99Å; Q137-V144 PolarHBondContact O-N 3.04Å; V144-Y146 HydrophobicContact CB-CE2 3.99Å; V144-Y146 HydrophobicContact CG1-CD2 4.09Å; V144-Y146 HydrophobicContact CG1-CE1 4.04Å; V144-Y146 HydrophobicContact CG1-CE2 3.46Å; V144-Y146 VanDerWaalsContact CG1-CE2 3.46Å; V144-Y146 VanDerWaalsContact CG1-CZ 3.43Å; V144-V377 HydrophobicContact CG1-CG1 3.6Å; V144-V378 CarbonylContact C-O 3.56Å; V144-V378 WeakPolarHBondContact CA-O 3.32Å; V144-A379 HydrophobicContact CG2-CB 4.2Å; V144-V449 HydrophobicContact CG2-CG1 3.91Å; V144-V452 HydrophobicContact CG1-CG1 4.02Å; V144-V452 HydrophobicContact CG2-CB 3.8Å; V144-V452 HydrophobicContact CG2-CG1 3.59Å
145H95.3Very high90Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-119.5115.8-176.8-177.5-169.8000109.1I133 D135 I136 F143 Y354 V377 V378I133-H145 PolarHBondContact O-CE1 3.38Å; I133-H145 PolarHBondContact O-NE2 3.23Å; D135-H145 CarbonylContact O-C 3.54Å; D135-H145 WeakPolarHBondContact O-CA 3.48Å; D135-H145 PolarHBondContact O-CD2 3.32Å; I136-H145 HydrophobicContact CG1-CB 4Å; I136-H145 WeakPolarHBondContact CG1-CD2 3.45Å; F143-H145 HydrophobicContact CD2-CB 4.38Å; F143-H145 HydrophobicContact CE2-CB 4.42Å; H145-Y354 WeakPolarHBondContact CB-OH 3.46Å; H145-Y354 AromaticContact ND1-CE1 3.91Å; H145-Y354 AromaticContact ND1-CZ 3.8Å; H145-Y354 PolarHBondContact ND1-OH 2.91Å; H145-V377 WeakPolarHBondContact O-CA 3.01Å; H145-V378 HydrophobicContact CB-CB 4.4Å; H145-V378 PolarHBondContact N-O 2.83Å; H145-V378 PolarHBondContact O-N 3.15Å
146Y94.4Very high90Very high33 Ų3328.6 Ų28.613%0.12916%0.157CC..EExtended strand (participates in β ladder)trans-102.5109.1179.9-61.3-86000109.8G134 D135 Q137 V144 V377G134-Y146 CarbonylContact C-O 3.48Å; G134-Y146 VanDerWaalsContact CA-O 3.27Å; G134-Y146 WeakPolarHBondContact CA-O 3.28Å; D135-Y146 PolarHBondContact N-O 3.36Å; D135-Y146 PolarHBondContact O-N 2.9Å; Q137-Y146 HydrophobicContact CG-CE2 4.33Å; V144-Y146 HydrophobicContact CB-CE2 3.99Å; V144-Y146 HydrophobicContact CG1-CD2 4.09Å; V144-Y146 HydrophobicContact CG1-CE1 4.04Å; V144-Y146 HydrophobicContact CG1-CE2 3.46Å; V144-Y146 VanDerWaalsContact CG1-CE2 3.46Å; V144-Y146 VanDerWaalsContact CG1-CZ 3.43Å; Y146-V377 HydrophobicContact CD1-CG1 4.15Å; Y146-V377 HydrophobicContact CD1-CG2 3.86Å; Y146-V377 HydrophobicContact CE1-CG1 3.94Å; Y146-V377 HydrophobicContact CE1-CG2 4.07Å
147F93.7Very high89.9Confident2 Ų228.4 Ų28.41%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-110.6111.4179.8-179.8-115.6000110.8I133 P149 L347 I350 I352 I376 V394 M405I133-F147 WeakPolarHBondContact O-CD2 3.34Å; F147-P149 HydrophobicContact CE1-CG 3.98Å; F147-P149 HydrophobicContact CE2-CB 4.34Å; F147-P149 HydrophobicContact CE2-CG 3.99Å; F147-P149 HydrophobicContact CZ-CB 4.35Å; F147-P149 HydrophobicContact CZ-CG 3.61Å; F147-L347 HydrophobicContact CE1-CD1 3.85Å; F147-L347 HydrophobicContact CZ-CD1 3.9Å; F147-I350 HydrophobicContact CD1-CG2 4.4Å; F147-I350 HydrophobicContact CE1-CG2 4.02Å; F147-I352 HydrophobicContact CB-CD1 4.37Å; F147-I376 HydrophobicContact CB-CB 4.22Å; F147-I376 HydrophobicContact CB-CG2 4.46Å; F147-I376 HydrophobicContact CD1-CB 4.37Å; F147-I376 HydrophobicContact CD1-CD1 4.07Å; F147-I376 PolarHBondContact N-O 3.23Å; F147-I376 PolarHBondContact O-N 2.8Å; F147-V394 HydrophobicContact CE1-CG1 4.1Å; F147-V394 HydrophobicContact CE2-CG1 4.11Å; F147-V394 HydrophobicContact CZ-CG1 3.79Å; F147-M405 HydrophobicContact CE2-SD 4.4Å
148A92.9Very high89.8Confident6 Ų627.9 Ų27.95%0.0515%0.154CC..  trans-147.170.9179.700000111.2Y370 E375A148-Y370 VanDerWaalsContact CA-OH 3.28Å; A148-Y370 WeakPolarHBondContact CA-OH 3.45Å; A148-E375 HydrophobicContact CB-CB 4.26Å; A148-E375 HydrophobicContact CB-CG 4.27Å
149P88.6Confident89.9Confident9 Ų927.8 Ų27.86%0.05815%0.153CC..  trans-63.6138.3-177.427.5-35.6000111.5F147 L152 L347 Y370F147-P149 HydrophobicContact CE1-CG 3.98Å; F147-P149 HydrophobicContact CE2-CB 4.34Å; F147-P149 HydrophobicContact CE2-CG 3.99Å; F147-P149 HydrophobicContact CZ-CB 4.35Å; F147-P149 HydrophobicContact CZ-CG 3.61Å; P149-L152 HydrophobicContact CB-CD1 3.8Å; P149-L152 HydrophobicContact CB-CG 4.37Å; P149-L152 HydrophobicContact CG-CD1 3.72Å; P149-L347 HydrophobicContact CG-CD1 3.91Å; P149-Y370 HydrophobicContact CG-CD1 4.08Å; P149-Y370 HydrophobicContact CG-CE1 3.7Å
150K80Confident90.2Very high82 Ų8227.4 Ų27.436%0.35715%0.151SC..  trans-100.1162.3174.5-68.4-175.1173174.30110.7D126 R129 L152D126-K150 IonicContact OD2-NZ 3.15Å; R129-K150 HydrophobicContact CB-CD 4Å; R129-K150 HydrophobicContact CB-CG 4.37Å; R129-K150 HydrophobicContact CG-CD 4.18Å; R129-K150 VanDerWaalsContact CG-CE 3.44Å; K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.33Å; K150-L152 VanDerWaalsContact O-N 3.13Å
151D76.1Confident90.6Very high155 Ų15524.7 Ų24.783%0.82914%0.137SC*.SBendtrans60.625.1167.8-49-43.7000116.4
152L83.9Confident91Very high36 Ų3624.3 Ų24.319%0.18813%0.133CC..PPolyproline II helixtrans-78.5144.8171.1-67.9174.2000111.2P149 K150 L346 L347 I403P149-L152 HydrophobicContact CB-CD1 3.8Å; P149-L152 HydrophobicContact CB-CG 4.37Å; P149-L152 HydrophobicContact CG-CD1 3.72Å; K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.33Å; K150-L152 VanDerWaalsContact O-N 3.13Å; L152-L346 HydrophobicContact CB-CB 4.3Å; L152-L346 HydrophobicContact CB-CD1 4.46Å; L152-L346 HydrophobicContact CD1-CB 4.46Å; L152-L347 HydrophobicContact CD1-CD1 3.87Å; L152-L347 HydrophobicContact CD1-CD2 3.68Å; L152-L347 HydrophobicContact CD1-CG 3.71Å; L152-I403 HydrophobicContact CD2-CD1 4.32Å
153P85.9Confident91.1Very high82 Ų8224.2 Ų24.253%0.53213%0.133SC..PPolyproline II helixtrans-64.2144173.626.9-31.8000110N398P153-N398 WeakPolarHBondContact CG-OD1 3.41Å; P153-N398 PolarHBondContact O-ND2 3.32Å
154V88.5Confident91.2Very high67 Ų6724.2 Ų24.241%0.40613%0.133SC..PPolyproline II helixtrans-77.2133.4-172.6178.30000110.7T344 L346V154-T344 HydrophobicContact CG1-CG2 3.95Å; V154-T344 HydrophobicContact CG2-CG2 3.93Å; V154-L346 HydrophobicContact CG2-CD2 4.05Å
155V86.2Confident91.3Very high0 Ų024.6 Ų24.60%014%0.135CC..PPolyproline II helixtrans-87133.3178.6-175.60000109.7R189 N260 V262 P345 L346V155-R189 PolarHBondContact O-NH2 3.16Å; V155-N260 WeakPolarHBondContact CG1-O 3.08Å; V155-V262 HydrophobicContact CG1-CG2 4.29Å; V155-P345 PolarHBondContact N-O 3.48Å; V155-L346 WeakPolarHBondContact CG2-O 3.42Å
156P88.7Confident91.4Very high31 Ų3124.6 Ų24.620%0.20114%0.135CC..PPolyproline II helixtrans-58.1151.4171.1-23.334.2000111.7A191 S261 V262P156-A191 HydrophobicContact CB-CB 4.39Å; P156-A191 HydrophobicContact CG-CB 4.28Å; P156-S261 VanDerWaalsContact O-CA 3.26Å; P156-S261 WeakPolarHBondContact O-CA 3.48Å; P156-S261 WeakPolarHBondContact O-CB 3.4Å; P156-V262 PolarHBondContact O-N 3.36Å
157K90.7Very high91.4Very high2 Ų225.7 Ų25.71%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-127.8149.2179.264.2-176.6-177.8-750112.9D192 H193 V262 Y339 G343 P345K157-D192 HydrophobicContact CG-CB 4.21Å; K157-D192 PolarHBondContact N-OD1 3.41Å; K157-D192 IonicContact NZ-OD1 2.74Å; K157-D192 IonicContact NZ-OD2 3.79Å; K157-D192 PolarHBondContact NZ-OD2 3.46Å; K157-D192 WeakPolarHBondContact O-CA 3.12Å; K157-H193 PolarHBondContact O-N 3.25Å; K157-V262 CarbonylContact C-O 3.58Å; K157-V262 WeakPolarHBondContact CA-O 3.21Å; K157-V262 WeakPolarHBondContact CB-O 3.44Å; K157-Y339 WeakPolarHBondContact CE-OH 3.44Å; K157-Y339 PolarHBondContact NZ-OH 3.09Å; K157-G343 WeakPolarHBondContact CE-O 3.43Å; K157-G343 PolarHBondContact NZ-O 2.85Å; K157-P345 HydrophobicContact CB-CG 4.21Å
158N92.8Very high91.4Very high0 Ų028.2 Ų28.20%017%0.169CC..EExtended strand (participates in β ladder)trans-108.6109.4172.9-51.9-34000107.8H193 L211 L248 Y251 S261 V262 S263 L264N158-H193 CarbonylContact C-O 3.52Å; N158-H193 WeakPolarHBondContact CA-O 3.16Å; N158-L211 HydrophobicContact CB-CD2 3.75Å; N158-L248 HydrophobicContact CB-CD2 3.94Å; N158-Y251 HydrophobicContact CB-CE1 4.38Å; N158-Y251 WeakPolarHBondContact ND2-CE1 3.3Å; N158-S261 WeakPolarHBondContact ND2-CB 3.35Å; N158-S261 PolarHBondContact ND2-OG 2.95Å; N158-V262 PolarHBondContact N-O 3.5Å; N158-S263 PolarHBondContact ND2-OG 2.92Å; N158-S263 WeakPolarHBondContact O-CA 3.48Å; N158-L264 PolarHBondContact O-N 3.21Å
159V95.2Very high91.4Very high0 Ų028 Ų280%017%0.167CC..EExtended strand (participates in β ladder)trans-120.1123.9-173.856.50000112.3F161 L188 H193 F194 N195 L264 I266V159-F161 HydrophobicContact CB-CE2 4.3Å; V159-F161 HydrophobicContact CB-CZ 4.49Å; V159-F161 HydrophobicContact CG1-CE2 3.68Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å; V159-F161 HydrophobicContact CG2-CD1 4.36Å; V159-F161 HydrophobicContact CG2-CD2 4.05Å; V159-F161 HydrophobicContact CG2-CE1 3.98Å; V159-F161 HydrophobicContact CG2-CE2 3.65Å; V159-F161 HydrophobicContact CG2-CG 4.39Å; V159-F161 HydrophobicContact CG2-CZ 3.6Å; V159-L188 HydrophobicContact CG1-CD2 3.97Å; V159-H193 PolarHBondContact N-O 3.01Å; V159-F194 HydrophobicContact CG1-CB 3.73Å; V159-F194 CarbonylContact O-C 3.58Å; V159-F194 WeakPolarHBondContact O-CA 3.49Å; V159-N195 PolarHBondContact O-N 3Å; V159-L264 WeakPolarHBondContact CA-O 3.26Å; V159-L264 HydrophobicContact CB-CD1 4.05Å; V159-L264 HydrophobicContact CB-CG 4.45Å; V159-L264 HydrophobicContact CG2-CD1 3.57Å; V159-L264 HydrophobicContact CG2-CG 4.46Å; V159-I266 HydrophobicContact CG2-CD1 4.02Å; V159-I266 HydrophobicContact CG2-CG1 4.34Å
160V97.3Very high91.7Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-107.5117.5169.9-179.50000109.4V162 N195 I197 L211 L247 L248 L264 I265 I266V160-V162 HydrophobicContact CG1-CG2 3.99Å; V160-N195 HydrophobicContact CG2-CB 4.41Å; V160-I197 HydrophobicContact CG1-CD1 3.72Å; V160-I197 HydrophobicContact CG1-CG1 3.97Å; V160-L211 HydrophobicContact CG2-CD2 4.31Å; V160-L211 HydrophobicContact CG2-CG 4.42Å; V160-L247 HydrophobicContact CG2-CD2 3.75Å; V160-L248 HydrophobicContact CB-CD1 4.45Å; V160-L248 HydrophobicContact CB-CG 4.47Å; V160-L248 HydrophobicContact CG2-CD1 4.12Å; V160-L248 HydrophobicContact CG2-CD2 3.97Å; V160-L248 HydrophobicContact CG2-CG 3.65Å; V160-L264 PolarHBondContact N-O 2.89Å; V160-L264 VanDerWaalsContact N-O 3.09Å; V160-I265 HydrophobicContact CB-CG1 4.48Å; V160-I265 WeakPolarHBondContact O-CA 3.26Å; V160-I266 PolarHBondContact O-N 3.26Å
161F97.4Very high92.2Very high1 Ų131.4 Ų31.40%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-90.1113.2175.8-63.3-85000109.3V159 I163 L181 I184 F194 N195 F196 I197 I266 Y339V159-F161 HydrophobicContact CB-CE2 4.3Å; V159-F161 HydrophobicContact CB-CZ 4.49Å; V159-F161 HydrophobicContact CG1-CE2 3.68Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å; V159-F161 HydrophobicContact CG2-CD1 4.36Å; V159-F161 HydrophobicContact CG2-CD2 4.05Å; V159-F161 HydrophobicContact CG2-CE1 3.98Å; V159-F161 HydrophobicContact CG2-CE2 3.65Å; V159-F161 HydrophobicContact CG2-CG 4.39Å; V159-F161 HydrophobicContact CG2-CZ 3.6Å; F161-I163 HydrophobicContact CB-CD1 4.19Å; F161-I163 HydrophobicContact CB-CG1 4.3Å; F161-L181 HydrophobicContact CD1-CD2 4.11Å; F161-I184 HydrophobicContact CE1-CG2 3.82Å; F161-I184 HydrophobicContact CZ-CG2 3.53Å; F161-F194 HydrophobicContact CE2-CB 4.48Å; F161-N195 PolarHBondContact N-O 2.72Å; F161-F196 HydrophobicContact CB-CD1 3.45Å; F161-F196 VanDerWaalsContact CB-CD1 3.45Å; F161-F196 HydrophobicContact CB-CE1 3.47Å; F161-F196 VanDerWaalsContact CB-CE1 3.47Å; F161-F196 HydrophobicContact CB-CG 4.39Å; F161-F196 HydrophobicContact CB-CZ 4.44Å; F161-F196 HydrophobicContact CD1-CE1 4.4Å; F161-F196 HydrophobicContact CD2-CD1 4.1Å; F161-F196 AromaticContact CD2-CE1 3.53Å; F161-F196 HydrophobicContact CD2-CE1 3.53Å; F161-F196 HydrophobicContact CD2-CE2 4.32Å; F161-F196 AromaticContact CD2-CZ 3.66Å; F161-F196 HydrophobicContact CD2-CZ 3.66Å; F161-F196 HydrophobicContact CE2-CE1 4.36Å; F161-F196 HydrophobicContact CE2-CZ 4.12Å; F161-F196 HydrophobicContact CG-CD1 4.05Å; F161-F196 AromaticContact CG-CE1 3.56Å; F161-F196 HydrophobicContact CG-CE1 3.56Å; F161-F196 HydrophobicContact CG-CZ 4.15Å; F161-I197 PolarHBondContact O-N 3.3Å; F161-I266 HydrophobicContact CD1-CB 4.1Å; F161-I266 HydrophobicContact CD1-CD1 4.15Å; F161-I266 HydrophobicContact CD1-CG2 4.47Å; F161-I266 HydrophobicContact CE1-CB 4.5Å; F161-I266 HydrophobicContact CE1-CD1 3.67Å; F161-I266 HydrophobicContact CZ-CD1 4.46Å; F161-Y339 HydrophobicContact CE1-CD2 4.5Å; F161-Y339 HydrophobicContact CE1-CE2 4.42Å; F161-Y339 HydrophobicContact CZ-CE2 4.14Å
162V98.1Very high92.9Very high0 Ų029.1 Ų29.10%018%0.18CC..EExtended strand (participates in β ladder)trans-105.9105.8179.8-175.40000108.3V160 I197 F199 A240 I265 I266 F267 L268V160-V162 HydrophobicContact CG1-CG2 3.99Å; V162-I197 CarbonylContact C-O 3.59Å; V162-I197 WeakPolarHBondContact CA-O 3.45Å; V162-I197 HydrophobicContact CG1-CB 4.48Å; V162-I197 HydrophobicContact CG1-CG2 4.35Å; V162-I197 HydrophobicContact CG2-CB 4.24Å; V162-I197 HydrophobicContact CG2-CD1 4.35Å; V162-F199 HydrophobicContact CG1-CD1 3.69Å; V162-F199 HydrophobicContact CG1-CE1 3.79Å; V162-A240 HydrophobicContact CG1-CB 3.68Å; V162-I265 HydrophobicContact CB-CG2 4.4Å; V162-I265 HydrophobicContact CG2-CG2 3.71Å; V162-I266 PolarHBondContact N-O 3.25Å; V162-F267 HydrophobicContact CB-CD2 3.84Å; V162-F267 HydrophobicContact CG1-CD2 3.55Å; V162-F267 HydrophobicContact CG1-CE2 3.83Å; V162-F267 WeakPolarHBondContact O-CA 3.45Å; V162-L268 PolarHBondContact O-N 3.18Å
163I97.6Very high93.3Very high3 Ų328.9 Ų28.92%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-115.4123.3-165.4-51.4-59.7000110.5F161 S165 T177 L181 I197 S198 F199 L268F161-I163 HydrophobicContact CB-CD1 4.19Å; F161-I163 HydrophobicContact CB-CG1 4.3Å; I163-S165 PolarHBondContact O-N 3.41Å; I163-T177 HydrophobicContact CG2-CG2 3.91Å; I163-L181 HydrophobicContact CD1-CD1 4.17Å; I163-L181 HydrophobicContact CD1-CD2 4.21Å; I163-L181 HydrophobicContact CG1-CD1 4.04Å; I163-I197 PolarHBondContact N-O 2.84Å; I163-S198 WeakPolarHBondContact O-CA 3.2Å; I163-F199 VanDerWaalsContact O-CD1 3.29Å; I163-F199 WeakPolarHBondContact O-CD1 3.13Å; I163-F199 PolarHBondContact O-N 2.67Å; I163-L268 HydrophobicContact CD1-CB 4.08Å
164D97.3Very high93.7Very high0 Ų025.3 Ų25.30%015%0.154CC..EExtended strand (participates in β ladder)trans-66.5129.7173.3-164.8-19.3000110.9S166 M169 M174 F199 T235 L268 T269D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 2.89Å; D164-S166 PolarHBondContact OD1-OG 3.1Å; D164-S166 PolarHBondContact OD2-OG 2.93Å; D164-M169 HydrophobicContact CB-CG 4.3Å; D164-M174 WeakPolarHBondContact O-CE 3.34Å; D164-F199 VanDerWaalsContact CA-CE1 3.47Å; D164-F199 HydrophobicContact CB-CE1 3.87Å; D164-F199 HydrophobicContact CB-CE2 4.11Å; D164-F199 HydrophobicContact CB-CZ 3.53Å; D164-T235 WeakPolarHBondContact OD2-CG2 3.38Å; D164-L268 WeakPolarHBondContact CB-O 3.19Å; D164-L268 PolarHBondContact N-O 3.23Å; D164-T269 WeakPolarHBondContact OD2-CB 3.38Å; D164-T269 PolarHBondContact OD2-OG1 2.79Å
165S96.8Very high93.9Very high7 Ų730.2 Ų30.25%0.04917%0.165CC..  trans-12724.8176.961.30000111.5I163 F199 P231 N232I163-S165 PolarHBondContact O-N 3.41Å; S165-F199 PolarHBondContact N-O 3.41Å; S165-F199 PolarHBondContact OG-O 3Å; S165-P231 CarbonylContact O-C 3.6Å; S165-P231 VanDerWaalsContact O-CA 3.24Å; S165-P231 WeakPolarHBondContact O-CA 3.5Å; S165-N232 PolarHBondContact O-N 3.25Å; S165-N232 VanDerWaalsContact O-O 3.09Å
166S96.6Very high94.2Very high1 Ų131.5 Ų31.51%0.00717%0.171CC..SBendtrans-62163.8171.261.10000112D164 S168 M169 P231 N232 G234 T235D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 2.89Å; D164-S166 PolarHBondContact OD1-OG 3.1Å; D164-S166 PolarHBondContact OD2-OG 2.93Å; S166-S168 PolarHBondContact O-N 2.75Å; S166-S168 PolarHBondContact OG-OG 3.19Å; S166-M169 WeakPolarHBondContact O-CB 3.37Å; S166-M169 PolarHBondContact O-N 3.49Å; S166-P231 WeakPolarHBondContact O-CB 3.38Å; S166-N232 WeakPolarHBondContact CA-O 3.33Å; S166-G234 VanDerWaalsContact CB-O 3.27Å; S166-G234 WeakPolarHBondContact CB-O 3.46Å; S166-T235 WeakPolarHBondContact CB-OG1 3.41Å
167A95.2Very high94.4Very high56 Ų5630 Ų3046%0.46316%0.162SC..G310 helixtrans-61.1-27.9-177.300000113.5M169 L170 G233A167-M169 PolarHBondContact O-N 2.77Å; A167-L170 VanDerWaalsContact O-CB 3.28Å; A167-L170 WeakPolarHBondContact O-CB 3.15Å; A167-L170 PolarHBondContact O-N 3.28Å; A167-G233 PolarHBondContact N-O 2.78Å
168S93.6Very high94.6Very high55 Ų5531.6 Ų31.639%0.38517%0.168SC..G310 helixtrans-64-27.4178.244.10000113.2S166 L170 K173 D270S166-S168 PolarHBondContact O-N 2.75Å; S166-S168 PolarHBondContact OG-OG 3.19Å; S168-L170 PolarHBondContact O-N 3.49Å; S168-L170 VanDerWaalsContact O-N 3.11Å; S168-K173 WeakPolarHBondContact O-CE 3.38Å; S168-K173 PolarHBondContact O-NZ 2.81Å; S168-D270 VanDerWaalsContact CB-OD2 3.27Å; S168-D270 WeakPolarHBondContact CB-OD2 3.28Å; S168-D270 VanDerWaalsContact O-OD2 3.09Å; S168-D270 PolarHBondContact OG-OD1 2.82Å; S168-D270 PolarHBondContact OG-OD2 2.69Å
169M94Very high94.6Very high0 Ų035 Ų350%019%0.187CC..G310 helixtrans-69.9-5.4178.6-71.4-72-77.400113.7D164 S166 A167 K173 M174 P231 L268 D270D164-M169 HydrophobicContact CB-CG 4.3Å; S166-M169 WeakPolarHBondContact O-CB 3.37Å; S166-M169 PolarHBondContact O-N 3.49Å; A167-M169 PolarHBondContact O-N 2.77Å; M169-K173 HydrophobicContact SD-CB 4.2Å; M169-M174 HydrophobicContact CB-CB 4.41Å; M169-M174 HydrophobicContact CB-CE 3.96Å; M169-M174 HydrophobicContact CE-CE 4.2Å; M169-M174 WeakPolarHBondContact O-CB 3.48Å; M169-M174 PolarHBondContact O-N 2.9Å; M169-P231 HydrophobicContact CB-CB 4.42Å; M169-P231 HydrophobicContact CB-CG 4.41Å; M169-L268 HydrophobicContact CE-CD2 3.6Å; M169-D270 HydrophobicContact CG-CB 4.45Å; M169-D270 WeakPolarHBondContact CG-OD1 3.45Å; M169-D270 PolarHBondContact N-OD2 2.96Å; M169-D270 HydrophobicContact SD-CB 3.53Å; M169-D270 VanDerWaalsContact SD-CB 3.53Å
170L93.1Very high94.5Very high124 Ų12435.1 Ų35.165%0.64919%0.187SC*.THydrogen-bonded Turntrans-55.3145.2-177.9-169.868.6000112.9A167 S168 P231A167-L170 VanDerWaalsContact O-CB 3.28Å; A167-L170 WeakPolarHBondContact O-CB 3.15Å; A167-L170 PolarHBondContact O-N 3.28Å; S168-L170 PolarHBondContact O-N 3.49Å; S168-L170 VanDerWaalsContact O-N 3.11Å; L170-P231 HydrophobicContact CB-CB 4.22Å; L170-P231 HydrophobicContact CD1-CB 4.24Å; L170-P231 HydrophobicContact CD1-CG 4.32Å
171G91.6Very high94.4Very high40 Ų4035.4 Ų35.441%0.41219%0.189SC..THydrogen-bonded Turntrans84.7-126.6174.400000113.4K173 R175G171-K173 PolarHBondContact O-N 3.19Å; G171-R175 PolarHBondContact O-N 3.47Å
172K91Very high94.3Very high107 Ų10736.8 Ų36.847%0.46520%0.195SC..Hα-helixtrans-64-40.6-171.1-174.7-173.4168.9-158.20112.1R175 Q176 E327K172-R175 PolarHBondContact O-N 3.3Å; K172-Q176 VanDerWaalsContact CE-NE2 3.28Å; K172-Q176 HydrophobicContact CG-CG 4.24Å; K172-Q176 WeakPolarHBondContact O-CB 3.28Å; K172-Q176 WeakPolarHBondContact O-CG 3.42Å; K172-Q176 PolarHBondContact O-N 3.36Å; K172-E327 PolarHBondContact NZ-O 2.91Å; K172-E327 VanDerWaalsContact NZ-O 3.1Å
173K91.7Very high93.9Very high31 Ų3138.7 Ų38.714%0.13521%0.207CC..Hα-helixtrans-58.9-59.1-177.4-69.4-175.4-80-171.10111.6S168 M169 G171 R175 Q176 T177 D270 I302 E327S168-K173 WeakPolarHBondContact O-CE 3.38Å; S168-K173 PolarHBondContact O-NZ 2.81Å; M169-K173 HydrophobicContact SD-CB 4.2Å; G171-K173 PolarHBondContact O-N 3.19Å; K173-R175 VanDerWaalsContact C-N 3.33Å; K173-R175 PolarHBondContact O-N 3.4Å; K173-Q176 PolarHBondContact O-N 2.97Å; K173-T177 PolarHBondContact O-N 3.03Å; K173-T177 PolarHBondContact O-OG1 3.34Å; K173-T177 VanDerWaalsContact O-OG1 3.06Å; K173-D270 HydrophobicContact CD-CB 4.1Å; K173-D270 WeakPolarHBondContact CE-OD2 3.34Å; K173-D270 IonicContact NZ-OD2 2.93Å; K173-D270 PolarHBondContact NZ-OD2 2.99Å; K173-I302 HydrophobicContact CD-CG2 3.84Å; K173-I302 HydrophobicContact CG-CG2 4Å; K173-E327 IonicContact NZ-OE1 2.93Å; K173-E327 PolarHBondContact NZ-OE1 2.61Å
174M93.8Very high93.7Very high7 Ų739 Ų393%0.03421%0.208CC..Hα-helixtrans-60.3-39.3177.5-179.558.566.100112.9D164 M169 T177 K178 L229 P231D164-M174 WeakPolarHBondContact O-CE 3.34Å; M169-M174 HydrophobicContact CB-CB 4.41Å; M169-M174 HydrophobicContact CB-CE 3.96Å; M169-M174 HydrophobicContact CE-CE 4.2Å; M169-M174 WeakPolarHBondContact O-CB 3.48Å; M169-M174 PolarHBondContact O-N 2.9Å; M174-T177 PolarHBondContact O-N 3.04Å; M174-K178 HydrophobicContact CG-CD 4.42Å; M174-K178 HydrophobicContact CG-CG 4.49Å; M174-K178 WeakPolarHBondContact O-CG 3.47Å; M174-K178 PolarHBondContact O-N 2.86Å; M174-K178 HydrophobicContact SD-CG 4.13Å; M174-L229 HydrophobicContact SD-CB 4.2Å; M174-P231 HydrophobicContact CB-CG 3.79Å; M174-P231 HydrophobicContact CE-CG 3.95Å; M174-P231 HydrophobicContact CG-CG 3.72Å
175R93.1Very high93.5Very high170 Ų17039 Ų3964%0.64221%0.208SC*.Hα-helixtrans-59.7-50.5176.8-171.9-175.7-59.5162.81.7111.2G171 K172 K173 T177 K178 D179G171-R175 PolarHBondContact O-N 3.47Å; K172-R175 PolarHBondContact O-N 3.3Å; K173-R175 VanDerWaalsContact C-N 3.33Å; K173-R175 PolarHBondContact O-N 3.4Å; R175-T177 VanDerWaalsContact C-N 3.33Å; R175-T177 PolarHBondContact O-N 2.63Å; R175-K178 PolarHBondContact O-N 3.05Å; R175-D179 VanDerWaalsContact O-CG 3.27Å; R175-D179 PolarHBondContact O-N 2.94Å
176Q91.8Very high93.2Very high26 Ų2647.8 Ų47.812%0.12124%0.241CC..Hα-helixtrans-64.3-36.6179.1-72.9-178.2-42.200112.7K172 K173 D179 A180 A331 S332K172-Q176 VanDerWaalsContact CE-NE2 3.28Å; K172-Q176 HydrophobicContact CG-CG 4.24Å; K172-Q176 WeakPolarHBondContact O-CB 3.28Å; K172-Q176 WeakPolarHBondContact O-CG 3.42Å; K172-Q176 PolarHBondContact O-N 3.36Å; K173-Q176 PolarHBondContact O-N 2.97Å; Q176-D179 PolarHBondContact O-N 2.77Å; Q176-A180 WeakPolarHBondContact O-CB 3.33Å; Q176-A180 PolarHBondContact O-N 3.17Å; Q176-A331 HydrophobicContact CB-CB 4.09Å; Q176-S332 PolarHBondContact O-OG 3.11Å
177T93.8Very high92.9Very high1 Ų151.8 Ų51.81%0.00626%0.262CS..Hα-helixtrans-61.7-49.1173.3-61.60000111I163 K173 M174 R175 D179 A180 L181 L268I163-T177 HydrophobicContact CG2-CG2 3.91Å; K173-T177 PolarHBondContact O-N 3.03Å; K173-T177 PolarHBondContact O-OG1 3.34Å; K173-T177 VanDerWaalsContact O-OG1 3.06Å; M174-T177 PolarHBondContact O-N 3.04Å; R175-T177 VanDerWaalsContact C-N 3.33Å; R175-T177 PolarHBondContact O-N 2.63Å; T177-D179 VanDerWaalsContact C-N 3.34Å; T177-D179 PolarHBondContact O-N 3.11Å; T177-A180 WeakPolarHBondContact O-CB 3.49Å; T177-A180 PolarHBondContact O-N 3.31Å; T177-L181 HydrophobicContact CG2-CD1 4.13Å; T177-L181 HydrophobicContact CG2-CG 4.4Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.45Å; T177-L268 HydrophobicContact CG2-CD1 3.93Å; T177-L268 HydrophobicContact CG2-CD2 4.28Å
178K95.1Very high92.8Very high34 Ų3449.7 Ų49.715%0.14824%0.243CC..Hα-helixtrans-57.8-45.9176.3-70.2-177.6-179.7-170.80111.9M174 R175 A180 L181 F182 I226 Y227 L229M174-K178 HydrophobicContact CG-CD 4.42Å; M174-K178 HydrophobicContact CG-CG 4.49Å; M174-K178 WeakPolarHBondContact O-CG 3.47Å; M174-K178 PolarHBondContact O-N 2.86Å; M174-K178 HydrophobicContact SD-CG 4.13Å; R175-K178 PolarHBondContact O-N 3.05Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 2.84Å; K178-L181 PolarHBondContact O-N 3.16Å; K178-F182 HydrophobicContact CB-CE2 4.26Å; K178-F182 VanDerWaalsContact O-CD2 3.3Å; K178-F182 WeakPolarHBondContact O-CD2 3.41Å; K178-F182 VanDerWaalsContact O-CG 3.26Å; K178-F182 WeakPolarHBondContact O-CG 3.3Å; K178-F182 PolarHBondContact O-N 3.14Å; K178-I226 HydrophobicContact CB-CG2 3.98Å; K178-I226 HydrophobicContact CD-CG2 4.49Å; K178-I226 WeakPolarHBondContact CE-O 3.35Å; K178-I226 HydrophobicContact CG-CG2 3.77Å; K178-I226 PolarHBondContact NZ-O 2.72Å; K178-Y227 PolarHBondContact NZ-O 2.99Å; K178-L229 VanDerWaalsContact CE-O 3.24Å; K178-L229 WeakPolarHBondContact CE-O 3.44Å; K178-L229 PolarHBondContact NZ-O 3.01Å
179D93.4Very high92.7Very high73 Ų7349.7 Ų49.739%0.3923%0.234SC..Hα-helixtrans-62.5-37.6179.2-66.6-20.2000112.4R175 Q176 T177 T183R175-D179 VanDerWaalsContact O-CG 3.27Å; R175-D179 PolarHBondContact O-N 2.94Å; Q176-D179 PolarHBondContact O-N 2.77Å; T177-D179 VanDerWaalsContact C-N 3.34Å; T177-D179 PolarHBondContact O-N 3.11Å; D179-T183 PolarHBondContact O-N 3.18Å; D179-T183 PolarHBondContact O-OG1 2.9Å
180A93.1Very high92.6Very high1 Ų154.8 Ų54.81%0.00827%0.267CS..Hα-helixtrans-65.4-49.9173.500000111.4Q176 T177 K178 F182 T183 I184 S332 L335Q176-A180 WeakPolarHBondContact O-CB 3.33Å; Q176-A180 PolarHBondContact O-N 3.17Å; T177-A180 WeakPolarHBondContact O-CB 3.49Å; T177-A180 PolarHBondContact O-N 3.31Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 2.84Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 2.71Å; A180-T183 WeakPolarHBondContact O-CA 3.44Å; A180-T183 WeakPolarHBondContact O-CB 3.41Å; A180-T183 PolarHBondContact O-N 2.86Å; A180-I184 WeakPolarHBondContact O-CG1 3.33Å; A180-I184 PolarHBondContact O-N 2.04Å; A180-S332 PolarHBondContact N-OG 3.24Å; A180-L335 HydrophobicContact CB-CB 3.62Å; A180-L335 HydrophobicContact CB-CD1 3.65Å; A180-L335 HydrophobicContact CB-CG 4.29Å
181L94.9Very high92.5Very high7 Ų751.4 Ų51.44%0.03726%0.257CS..Hα-helixtrans-60.4-38.3179.8-67178.5000112.2F161 I163 T177 K178 T183 I184 L185 F196 I226F161-L181 HydrophobicContact CD1-CD2 4.11Å; I163-L181 HydrophobicContact CD1-CD1 4.17Å; I163-L181 HydrophobicContact CD1-CD2 4.21Å; I163-L181 HydrophobicContact CG1-CD1 4.04Å; T177-L181 HydrophobicContact CG2-CD1 4.13Å; T177-L181 HydrophobicContact CG2-CG 4.4Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.45Å; K178-L181 PolarHBondContact O-N 3.16Å; L181-T183 PolarHBondContact O-N 3.34Å; L181-I184 HydrophobicContact CD2-CD1 4.42Å; L181-I184 PolarHBondContact O-N 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.05Å; L181-L185 PolarHBondContact O-N 3.06Å; L181-F196 HydrophobicContact CD1-CE1 4.07Å; L181-F196 HydrophobicContact CD2-CE1 3.94Å; L181-F196 HydrophobicContact CG-CE1 4.41Å; L181-I226 HydrophobicContact CB-CD1 3.85Å; L181-I226 HydrophobicContact CB-CG2 4.45Å; L181-I226 HydrophobicContact CD1-CD1 4.44Å; L181-I226 HydrophobicContact CD1-CG1 4.31Å; L181-I226 HydrophobicContact CD1-CG2 4.36Å
182F94.1Very high92.5Very high29 Ų2949.5 Ų49.513%0.12724%0.238CC..Hα-helixtrans-63.2-31.8174.1-67.6-30.9000113.5K178 A180 R186 K223 I226 Y227K178-F182 HydrophobicContact CB-CE2 4.26Å; K178-F182 VanDerWaalsContact O-CD2 3.3Å; K178-F182 WeakPolarHBondContact O-CD2 3.41Å; K178-F182 VanDerWaalsContact O-CG 3.26Å; K178-F182 WeakPolarHBondContact O-CG 3.3Å; K178-F182 PolarHBondContact O-N 3.14Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 2.71Å; F182-R186 WeakPolarHBondContact O-CG 3.06Å; F182-K223 HydrophobicContact CD1-CB 4.34Å; F182-K223 HydrophobicContact CD1-CG 3.84Å; F182-K223 HydrophobicContact CE1-CB 4.03Å; F182-K223 HydrophobicContact CE1-CG 4.05Å; F182-I226 HydrophobicContact CD1-CB 4.47Å; F182-I226 HydrophobicContact CD1-CD1 4.17Å; F182-I226 HydrophobicContact CD1-CG2 4.12Å; F182-I226 HydrophobicContact CE1-CB 3.73Å; F182-I226 HydrophobicContact CE1-CD1 4.22Å; F182-I226 HydrophobicContact CE1-CG2 3.49Å; F182-I226 VanDerWaalsContact CE1-CG2 3.49Å; F182-I226 HydrophobicContact CZ-CB 4.33Å; F182-I226 HydrophobicContact CZ-CG2 3.79Å; F182-Y227 HydrophobicContact CE1-CD2 4.08Å; F182-Y227 AromaticContact CE1-CE2 3.9Å; F182-Y227 HydrophobicContact CE1-CE2 3.9Å; F182-Y227 HydrophobicContact CE2-CD1 4.44Å; F182-Y227 AromaticContact CE2-CE1 3.83Å; F182-Y227 HydrophobicContact CE2-CE1 3.83Å; F182-Y227 AromaticContact CE2-CE2 3.97Å; F182-Y227 HydrophobicContact CE2-CE2 3.97Å; F182-Y227 AromaticContact CE2-CZ 3.55Å; F182-Y227 AromaticContact CZ-CD1 3.94Å; F182-Y227 HydrophobicContact CZ-CD1 3.94Å; F182-Y227 AromaticContact CZ-CD2 3.6Å; F182-Y227 HydrophobicContact CZ-CD2 3.6Å; F182-Y227 AromaticContact CZ-CE1 3.7Å; F182-Y227 HydrophobicContact CZ-CE1 3.7Å; F182-Y227 AromaticContact CZ-CE2 3.33Å; F182-Y227 HydrophobicContact CZ-CE2 3.33Å; F182-Y227 AromaticContact CZ-CG 3.88Å; F182-Y227 HydrophobicContact CZ-CG 3.88Å; F182-Y227 AromaticContact CZ-CZ 3.38Å
183T91.2Very high92.7Very high40 Ų4046.2 Ų46.225%0.24522%0.224CC..Hα-helixtrans-76.4-47.9175.9-51.50000110.2D179 A180 L181 L185 R186 D187 K336D179-T183 PolarHBondContact O-N 3.18Å; D179-T183 PolarHBondContact O-OG1 2.9Å; A180-T183 WeakPolarHBondContact O-CA 3.44Å; A180-T183 WeakPolarHBondContact O-CB 3.41Å; A180-T183 PolarHBondContact O-N 2.86Å; L181-T183 PolarHBondContact O-N 3.34Å; T183-L185 PolarHBondContact O-N 3.41Å; T183-R186 WeakPolarHBondContact O-CA 3.5Å; T183-R186 VanDerWaalsContact O-CB 3.31Å; T183-R186 WeakPolarHBondContact O-CB 3.11Å; T183-R186 PolarHBondContact O-N 3.07Å; T183-D187 PolarHBondContact O-N 3.5Å; T183-K336 HydrophobicContact CG2-CD 3.87Å; T183-K336 HydrophobicContact CG2-CG 4.21Å; T183-K336 WeakPolarHBondContact OG1-CE 3.16Å; T183-K336 PolarHBondContact OG1-NZ 3.43Å
184I93.1Very high92.9Very high10 Ų1044.8 Ų44.85%0.05122%0.218CC..Hα-helixtrans-55.2-40.9177.2-69.1167.4000111.4F161 A180 L181 R186 D187 L188 Y339F161-I184 HydrophobicContact CE1-CG2 3.82Å; F161-I184 HydrophobicContact CZ-CG2 3.53Å; A180-I184 WeakPolarHBondContact O-CG1 3.33Å; A180-I184 PolarHBondContact O-N 2.04Å; L181-I184 HydrophobicContact CD2-CD1 4.42Å; L181-I184 PolarHBondContact O-N 3.23Å; I184-R186 PolarHBondContact O-N 3.41Å; I184-D187 PolarHBondContact O-N 3.09Å; I184-L188 PolarHBondContact O-N 3.34Å; I184-L188 VanDerWaalsContact O-N 3.16Å; I184-Y339 HydrophobicContact CB-CD1 4.37Å; I184-Y339 HydrophobicContact CB-CG 4.4Å; I184-Y339 HydrophobicContact CD1-CD2 4.34Å; I184-Y339 HydrophobicContact CD1-CG 4.09Å; I184-Y339 HydrophobicContact CG1-CD1 3.95Å; I184-Y339 HydrophobicContact CG1-CD2 4.28Å; I184-Y339 HydrophobicContact CG1-CG 3.76Å; I184-Y339 HydrophobicContact CG2-CD1 3.98Å; I184-Y339 HydrophobicContact CG2-CD2 3.7Å; I184-Y339 HydrophobicContact CG2-CE1 3.86Å; I184-Y339 HydrophobicContact CG2-CE2 3.55Å; I184-Y339 HydrophobicContact CG2-CG 3.9Å
185L93.4Very high93.1Very high0 Ų044.4 Ų44.40%022%0.216CC..Hα-helixtrans-60.4-25.5175.4-84.7-178.9000114.1L181 T183 L188 F194 F196 I219 A222 K223 I226L181-L185 WeakPolarHBondContact O-CB 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.05Å; L181-L185 PolarHBondContact O-N 3.06Å; T183-L185 PolarHBondContact O-N 3.41Å; L185-L188 HydrophobicContact CD2-CD1 3.67Å; L185-F194 HydrophobicContact CD2-CD2 4.09Å; L185-F194 HydrophobicContact CD2-CE2 3.69Å; L185-F194 HydrophobicContact CD2-CZ 4.12Å; L185-F196 HydrophobicContact CD1-CE2 4.36Å; L185-F196 HydrophobicContact CD1-CZ 4.41Å; L185-F196 HydrophobicContact CD2-CE2 3.86Å; L185-F196 HydrophobicContact CD2-CZ 4.02Å; L185-F196 HydrophobicContact CG-CE2 4.34Å; L185-F196 HydrophobicContact CG-CZ 4.16Å; L185-I219 HydrophobicContact CB-CG2 4.35Å; L185-A222 HydrophobicContact CD1-CB 4Å; L185-A222 HydrophobicContact CD2-CB 4.32Å; L185-K223 HydrophobicContact CD1-CG 3.78Å; L185-I226 HydrophobicContact CD1-CD1 3.49Å; L185-I226 VanDerWaalsContact CD1-CD1 3.49Å; L185-I226 HydrophobicContact CG-CD1 4.37Å
186R89.8Confident93.3Very high192 Ų19236.4 Ų36.473%0.72519%0.186SC*.Hα-helixtrans-80.5-24.6175.3-63174.567.7172.20.5112.1F182 T183 I184F182-R186 WeakPolarHBondContact O-CG 3.06Å; T183-R186 WeakPolarHBondContact O-CA 3.5Å; T183-R186 VanDerWaalsContact O-CB 3.31Å; T183-R186 WeakPolarHBondContact O-CB 3.11Å; T183-R186 PolarHBondContact O-N 3.07Å; I184-R186 PolarHBondContact O-N 3.41Å
187D90.3Very high93.6Very high85 Ų8535.2 Ų35.246%0.45518%0.18SC..Hα-helixtrans-90.8-9.3-177.6-57.4-22.4000112T183 I184 Y339T183-D187 PolarHBondContact O-N 3.5Å; I184-D187 PolarHBondContact O-N 3.09Å; D187-Y339 HydrophobicContact CB-CE1 4.03Å
188L92.7Very high93.8Very high11 Ų1135.5 Ų35.56%0.05818%0.182CC..SBendtrans-64.5133.3169.1-71.6174.2000110.4V159 I184 L185 D192 F194 A214 Y339V159-L188 HydrophobicContact CG1-CD2 3.97Å; I184-L188 PolarHBondContact O-N 3.34Å; I184-L188 VanDerWaalsContact O-N 3.16Å; L185-L188 HydrophobicContact CD2-CD1 3.67Å; L188-D192 HydrophobicContact CD2-CB 4.24Å; L188-F194 HydrophobicContact CD1-CB 4.1Å; L188-F194 HydrophobicContact CD1-CD1 3.93Å; L188-F194 HydrophobicContact CD1-CD2 4.19Å; L188-F194 HydrophobicContact CD1-CE1 4.48Å; L188-F194 HydrophobicContact CD1-CG 3.78Å; L188-A214 HydrophobicContact CB-CB 3.99Å; L188-Y339 WeakPolarHBondContact CD2-OH 3.45Å
189R92.2Very high93.9Very high55 Ų5533.9 Ų33.921%0.20818%0.175CC..  trans-85.4153178.5-59.1165.8-61.4-136.813.5109.5V155 A191 D192 A214 G343V155-R189 PolarHBondContact O-NH2 3.16Å; R189-A191 PolarHBondContact O-N 3.22Å; R189-D192 IonicContact CZ-OD1 3.71Å; R189-D192 IonicContact CZ-OD2 2.82Å; R189-D192 PolarHBondContact N-OD2 2.96Å; R189-D192 IonicContact NE-OD1 3.27Å; R189-D192 PolarHBondContact NE-OD1 2.83Å; R189-D192 VanDerWaalsContact NE-OD1 3.15Å; R189-D192 IonicContact NE-OD2 2.81Å; R189-D192 PolarHBondContact NE-OD2 2.84Å; R189-D192 IonicContact NH2-OD1 3.64Å; R189-D192 PolarHBondContact NH2-OD1 2.94Å; R189-D192 IonicContact NH2-OD2 3.39Å; R189-D192 WeakPolarHBondContact O-CB 3.38Å; R189-D192 PolarHBondContact O-N 2.97Å; R189-A214 WeakPolarHBondContact O-CB 3.32Å; R189-G343 PolarHBondContact NH1-O 3.02Å
190P92.1Very high94Very high107 Ų10730.9 Ų30.970%0.69516%0.16SC*.THydrogen-bonded Turntrans-55.5-28.5-178.2-2835.6000115.5
191A89.8Confident94.1Very high53 Ų5334.5 Ų34.544%0.43818%0.179SC..THydrogen-bonded Turntrans-83.5-8.3177.700000114.1P156 R189P156-A191 HydrophobicContact CB-CB 4.39Å; P156-A191 HydrophobicContact CG-CB 4.28Å; R189-A191 PolarHBondContact O-N 3.22Å
192D92.6Very high94Very high0 Ų043.6 Ų43.60%021%0.213CC..  trans-77.6144.2178.3-61.5-26.3000110.4K157 L188 R189 A214K157-D192 HydrophobicContact CG-CB 4.21Å; K157-D192 PolarHBondContact N-OD1 3.41Å; K157-D192 IonicContact NZ-OD1 2.74Å; K157-D192 IonicContact NZ-OD2 3.79Å; K157-D192 PolarHBondContact NZ-OD2 3.46Å; K157-D192 WeakPolarHBondContact O-CA 3.12Å; L188-D192 HydrophobicContact CD2-CB 4.24Å; R189-D192 IonicContact CZ-OD1 3.71Å; R189-D192 IonicContact CZ-OD2 2.82Å; R189-D192 PolarHBondContact N-OD2 2.96Å; R189-D192 IonicContact NE-OD1 3.27Å; R189-D192 PolarHBondContact NE-OD1 2.83Å; R189-D192 VanDerWaalsContact NE-OD1 3.15Å; R189-D192 IonicContact NE-OD2 2.81Å; R189-D192 PolarHBondContact NE-OD2 2.84Å; R189-D192 IonicContact NH2-OD1 3.64Å; R189-D192 PolarHBondContact NH2-OD1 2.94Å; R189-D192 IonicContact NH2-OD2 3.39Å; R189-D192 WeakPolarHBondContact O-CB 3.38Å; R189-D192 PolarHBondContact O-N 2.97Å; D192-A214 PolarHBondContact O-N 2.94Å
193H94.2Very high94.1Very high39 Ų3944.1 Ų44.118%0.18122%0.218CC..EExtended strand (participates in β ladder)trans-105.9140.1172.8-66.781.8000109.7K157 N158 V159 L211 V212 L213 Y251K157-H193 PolarHBondContact O-N 3.25Å; N158-H193 CarbonylContact C-O 3.52Å; N158-H193 WeakPolarHBondContact CA-O 3.16Å; V159-H193 PolarHBondContact N-O 3.01Å; H193-L211 HydrophobicContact CB-CB 3.97Å; H193-L211 HydrophobicContact CB-CD2 4.02Å; H193-V212 CarbonylContact C-O 3.58Å; H193-V212 WeakPolarHBondContact CA-O 3.4Å; H193-L213 WeakPolarHBondContact CE1-CD2 3.31Å; H193-L213 VanDerWaalsContact NE2-CD2 3.28Å; H193-L213 WeakPolarHBondContact NE2-CD2 3.46Å; H193-L213 WeakPolarHBondContact NE2-CG 3.16Å; H193-Y251 PolarHBondContact CD2-OH 2.94Å; H193-Y251 PolarHBondContact CE1-OH 2.83Å; H193-Y251 VanDerWaalsContact CG-OH 3.32Å; H193-Y251 PolarHBondContact ND1-OH 3.27Å; H193-Y251 PolarHBondContact NE2-OH 2.81Å
194F96.6Very high94.3Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-147.2159.8-178.576.8-73.3000113.6V159 F161 L185 L188 F196 W206 V212 A214 N218 A222V159-F194 HydrophobicContact CG1-CB 3.73Å; V159-F194 CarbonylContact O-C 3.58Å; V159-F194 WeakPolarHBondContact O-CA 3.49Å; F161-F194 HydrophobicContact CE2-CB 4.48Å; L185-F194 HydrophobicContact CD2-CD2 4.09Å; L185-F194 HydrophobicContact CD2-CE2 3.69Å; L185-F194 HydrophobicContact CD2-CZ 4.12Å; L188-F194 HydrophobicContact CD1-CB 4.1Å; L188-F194 HydrophobicContact CD1-CD1 3.93Å; L188-F194 HydrophobicContact CD1-CD2 4.19Å; L188-F194 HydrophobicContact CD1-CE1 4.48Å; L188-F194 HydrophobicContact CD1-CG 3.78Å; F194-F196 HydrophobicContact CD2-CD2 4.06Å; F194-F196 AromaticContact CD2-CE2 3.64Å; F194-F196 HydrophobicContact CD2-CE2 3.64Å; F194-F196 HydrophobicContact CE2-CD2 4.03Å; F194-F196 AromaticContact CE2-CE2 3.61Å; F194-F196 HydrophobicContact CE2-CE2 3.61Å; F194-W206 HydrophobicContact CD2-CZ3 4.13Å; F194-W206 HydrophobicContact CE2-CE3 4.19Å; F194-W206 AromaticContact CE2-CH2 3.94Å; F194-W206 HydrophobicContact CE2-CH2 3.94Å; F194-W206 AromaticContact CE2-CZ3 3.35Å; F194-W206 HydrophobicContact CE2-CZ3 3.35Å; F194-W206 AromaticContact CZ-CH2 3.76Å; F194-W206 HydrophobicContact CZ-CH2 3.76Å; F194-W206 AromaticContact CZ-CZ3 3.59Å; F194-W206 HydrophobicContact CZ-CZ3 3.59Å; F194-V212 WeakPolarHBondContact CD1-O 3.26Å; F194-V212 HydrophobicContact CE1-CG2 4.1Å; F194-V212 HydrophobicContact CZ-CG2 4.34Å; F194-V212 PolarHBondContact N-O 3.46Å; F194-V212 PolarHBondContact O-N 3.06Å; F194-V212 VanDerWaalsContact O-N 3.17Å; F194-A214 HydrophobicContact CD1-CB 4.22Å; F194-A214 HydrophobicContact CE1-CB 4.24Å; F194-N218 HydrophobicContact CE1-CB 4.38Å; F194-N218 HydrophobicContact CZ-CB 4.39Å; F194-A222 HydrophobicContact CE2-CB 3.6Å; F194-A222 HydrophobicContact CZ-CB 3.89Å
195N97.5Very high94.5Very high0 Ų049.6 Ų49.60%024%0.242CC..EExtended strand (participates in β ladder)trans-151.1162.1168.6-153.5-23.6000111.1V159 V160 F161 Q207 G210 L211 L247V159-N195 PolarHBondContact O-N 3Å; V160-N195 HydrophobicContact CG2-CB 4.41Å; F161-N195 PolarHBondContact N-O 2.72Å; N195-Q207 PolarHBondContact ND2-O 3.34Å; N195-Q207 PolarHBondContact OD1-N 2.88Å; N195-G210 PolarHBondContact ND2-O 2.8Å; N195-L211 HydrophobicContact CB-CG 4.42Å; N195-L247 HydrophobicContact CB-CD2 3.97Å; N195-L247 VanDerWaalsContact ND2-CD1 3.3Å; N195-L247 WeakPolarHBondContact ND2-CD1 3.21Å
196F97.8Very high94.7Very high2 Ų251.2 Ų51.21%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-119.5136.9176.3-74.2-81.8000110.9F161 L181 L185 F194 W206 A222 F225 I226F161-F196 HydrophobicContact CB-CD1 3.45Å; F161-F196 VanDerWaalsContact CB-CD1 3.45Å; F161-F196 HydrophobicContact CB-CE1 3.47Å; F161-F196 VanDerWaalsContact CB-CE1 3.47Å; F161-F196 HydrophobicContact CB-CG 4.39Å; F161-F196 HydrophobicContact CB-CZ 4.44Å; F161-F196 HydrophobicContact CD1-CE1 4.4Å; F161-F196 HydrophobicContact CD2-CD1 4.1Å; F161-F196 AromaticContact CD2-CE1 3.53Å; F161-F196 HydrophobicContact CD2-CE1 3.53Å; F161-F196 HydrophobicContact CD2-CE2 4.32Å; F161-F196 AromaticContact CD2-CZ 3.66Å; F161-F196 HydrophobicContact CD2-CZ 3.66Å; F161-F196 HydrophobicContact CE2-CE1 4.36Å; F161-F196 HydrophobicContact CE2-CZ 4.12Å; F161-F196 HydrophobicContact CG-CD1 4.05Å; F161-F196 AromaticContact CG-CE1 3.56Å; F161-F196 HydrophobicContact CG-CE1 3.56Å; F161-F196 HydrophobicContact CG-CZ 4.15Å; L181-F196 HydrophobicContact CD1-CE1 4.07Å; L181-F196 HydrophobicContact CD2-CE1 3.94Å; L181-F196 HydrophobicContact CG-CE1 4.41Å; L185-F196 HydrophobicContact CD1-CE2 4.36Å; L185-F196 HydrophobicContact CD1-CZ 4.41Å; L185-F196 HydrophobicContact CD2-CE2 3.86Å; L185-F196 HydrophobicContact CD2-CZ 4.02Å; L185-F196 HydrophobicContact CG-CE2 4.34Å; L185-F196 HydrophobicContact CG-CZ 4.16Å; F194-F196 HydrophobicContact CD2-CD2 4.06Å; F194-F196 AromaticContact CD2-CE2 3.64Å; F194-F196 HydrophobicContact CD2-CE2 3.64Å; F194-F196 HydrophobicContact CE2-CD2 4.03Å; F194-F196 AromaticContact CE2-CE2 3.61Å; F194-F196 HydrophobicContact CE2-CE2 3.61Å; F196-W206 HydrophobicContact CB-CB 4.09Å; F196-W206 HydrophobicContact CD2-CE3 4.09Å; F196-W206 PolarHBondContact O-N 2.93Å; F196-A222 HydrophobicContact CD2-CB 4.25Å; F196-A222 HydrophobicContact CE2-CB 4.01Å; F196-F225 HydrophobicContact CB-CD1 3.81Å; F196-F225 HydrophobicContact CB-CE1 3.62Å; F196-F225 HydrophobicContact CG-CD1 4.42Å; F196-I226 HydrophobicContact CE1-CD1 4.14Å; F196-I226 HydrophobicContact CE1-CG1 4.38Å; F196-I226 HydrophobicContact CE2-CD1 4.09Å; F196-I226 HydrophobicContact CZ-CD1 3.8Å; F196-I226 HydrophobicContact CZ-CG1 4.42Å
197I97.9Very high95Very high1 Ų144.4 Ų44.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-123.3125.4170.9-61.1-178.1000107.2V160 F161 V162 I163 V203 K204 V205 T243V160-I197 HydrophobicContact CG1-CD1 3.72Å; V160-I197 HydrophobicContact CG1-CG1 3.97Å; F161-I197 PolarHBondContact O-N 3.3Å; V162-I197 CarbonylContact C-O 3.59Å; V162-I197 WeakPolarHBondContact CA-O 3.45Å; V162-I197 HydrophobicContact CG1-CB 4.48Å; V162-I197 HydrophobicContact CG1-CG2 4.35Å; V162-I197 HydrophobicContact CG2-CB 4.24Å; V162-I197 HydrophobicContact CG2-CD1 4.35Å; I163-I197 PolarHBondContact N-O 2.84Å; I197-V203 HydrophobicContact CG2-CG1 3.44Å; I197-V203 VanDerWaalsContact CG2-CG1 3.44Å; I197-K204 WeakPolarHBondContact CA-O 3.32Å; I197-V205 HydrophobicContact CD1-CG2 4.45Å; I197-V205 HydrophobicContact CG1-CG1 4.39Å; I197-V205 HydrophobicContact CG1-CG2 4.24Å; I197-T243 HydrophobicContact CD1-CG2 4.1Å
198S97.3Very high95Very high7 Ų745 Ų455%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-106.7134.1168.767.90000109.5I163 K204I163-S198 WeakPolarHBondContact O-CA 3.2Å; S198-K204 PolarHBondContact N-O 3.45Å; S198-K204 PolarHBondContact O-N 3.48Å
199F97.7Very high94.8Very high0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-128.2145.2179.370.5-83.9000112.3V162 I163 D164 S165 R202 V203 T235 N236 I237 A240 F267V162-F199 HydrophobicContact CG1-CD1 3.69Å; V162-F199 HydrophobicContact CG1-CE1 3.79Å; I163-F199 VanDerWaalsContact O-CD1 3.29Å; I163-F199 WeakPolarHBondContact O-CD1 3.13Å; I163-F199 PolarHBondContact O-N 2.67Å; D164-F199 VanDerWaalsContact CA-CE1 3.47Å; D164-F199 HydrophobicContact CB-CE1 3.87Å; D164-F199 HydrophobicContact CB-CE2 4.11Å; D164-F199 HydrophobicContact CB-CZ 3.53Å; S165-F199 PolarHBondContact N-O 3.41Å; S165-F199 PolarHBondContact OG-O 3Å; F199-R202 WeakPolarHBondContact CA-O 3.22Å; F199-V203 HydrophobicContact CB-CG2 4.21Å; F199-T235 HydrophobicContact CE2-CG2 3.76Å; F199-N236 WeakPolarHBondContact CD2-O 3.47Å; F199-I237 HydrophobicContact CE2-CG1 4.23Å; F199-A240 HydrophobicContact CB-CB 3.56Å; F199-A240 HydrophobicContact CD1-CB 3.59Å; F199-A240 HydrophobicContact CD2-CB 3.94Å; F199-A240 HydrophobicContact CE1-CB 4.23Å; F199-A240 HydrophobicContact CG-CB 3.42Å; F199-A240 VanDerWaalsContact CG-CB 3.42Å; F199-F267 HydrophobicContact CD1-CE2 4.49Å; F199-F267 HydrophobicContact CE1-CD2 4.34Å; F199-F267 AromaticContact CE1-CE2 3.59Å; F199-F267 HydrophobicContact CE1-CE2 3.59Å; F199-F267 AromaticContact CE1-CZ 3.98Å; F199-F267 HydrophobicContact CE1-CZ 3.98Å; F199-F267 HydrophobicContact CE2-CE2 4.39Å; F199-F267 HydrophobicContact CE2-CZ 4.22Å; F199-F267 HydrophobicContact CZ-CE1 4.47Å; F199-F267 AromaticContact CZ-CE2 3.53Å; F199-F267 HydrophobicContact CZ-CE2 3.53Å; F199-F267 AromaticContact CZ-CZ 3.44Å; F199-F267 HydrophobicContact CZ-CZ 3.44Å; F199-F267 VanDerWaalsContact CZ-CZ 3.44Å
200S96.6Very high94.6Very high9 Ų950.5 Ų50.56%0.06327%0.271CS..SBendtrans-148.3-110.8165.765.70000109.7R202 N232 G234 N236S200-R202 VanDerWaalsContact C-N 3.28Å; S200-R202 PolarHBondContact N-O 3.5Å; S200-N232 WeakPolarHBondContact CB-O 3.48Å; S200-N232 PolarHBondContact OG-O 2.91Å; S200-N232 PolarHBondContact OG-OD1 2.66Å; S200-G234 CarbonylContact C-O 3.56Å; S200-G234 WeakPolarHBondContact CA-O 3.36Å; S200-G234 VanDerWaalsContact CB-O 3.26Å; S200-G234 WeakPolarHBondContact CB-O 3.5Å; S200-N236 WeakPolarHBondContact O-CB 3.45Å; S200-N236 PolarHBondContact O-N 3.41Å
201N93.8Very high94.7Very high77 Ų7746.2 Ų46.241%0.41224%0.242SC..SBendtrans-66.2-34.4163.4-68.3-19.5000111.7G234 I275N201-G234 PolarHBondContact OD1-N 3.24Å; N201-I275 WeakPolarHBondContact OD1-CG1 3.45Å
202R93.1Very high94.9Very high198 Ų19845 Ų4575%0.74723%0.229SC*.SBendtrans-122.6151.4-179.5-61.6-175.4-177.3-170.90.8109.2F199 S200F199-R202 WeakPolarHBondContact CA-O 3.22Å; S200-R202 VanDerWaalsContact C-N 3.28Å; S200-R202 PolarHBondContact N-O 3.5Å
203V96.3Very high95Very high41 Ų4148.5 Ų48.525%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-96.1128.4172.5-174.90000107.9I197 F199 A240 T243I197-V203 HydrophobicContact CG2-CG1 3.44Å; I197-V203 VanDerWaalsContact CG2-CG1 3.44Å; F199-V203 HydrophobicContact CB-CG2 4.21Å; V203-A240 HydrophobicContact CG2-CB 4.37Å; V203-T243 HydrophobicContact CG1-CG2 4.05Å
204K96.3Very high95.1Very high127 Ų12747 Ų4755%0.55224%0.241SC*.EExtended strand (participates in β ladder)trans-120.8127.6175.5-59.3178.2179.7178.70108.9I197 S198I197-K204 WeakPolarHBondContact CA-O 3.32Å; S198-K204 PolarHBondContact N-O 3.45Å; S198-K204 PolarHBondContact O-N 3.48Å
205V97.3Very high95.1Very high38 Ų3849.2 Ų49.223%0.2326%0.255CS..EExtended strand (participates in β ladder)trans-101135.2176.1-173.30000108.2I197 Q207 T243 L247I197-V205 HydrophobicContact CD1-CG2 4.45Å; I197-V205 HydrophobicContact CG1-CG1 4.39Å; I197-V205 HydrophobicContact CG1-CG2 4.24Å; V205-Q207 WeakPolarHBondContact CG1-O 3.49Å; V205-T243 HydrophobicContact CG2-CG2 3.54Å; V205-L247 HydrophobicContact CG1-CD1 3.53Å
206W97.1Very high95Very high33 Ų3354.6 Ų54.613%0.12529%0.29CS..SBendtrans-69.3-50178.6169.944.6000112.1F194 F196 V212 N218 D221 A222 F225F194-W206 HydrophobicContact CD2-CZ3 4.13Å; F194-W206 HydrophobicContact CE2-CE3 4.19Å; F194-W206 AromaticContact CE2-CH2 3.94Å; F194-W206 HydrophobicContact CE2-CH2 3.94Å; F194-W206 AromaticContact CE2-CZ3 3.35Å; F194-W206 HydrophobicContact CE2-CZ3 3.35Å; F194-W206 AromaticContact CZ-CH2 3.76Å; F194-W206 HydrophobicContact CZ-CH2 3.76Å; F194-W206 AromaticContact CZ-CZ3 3.59Å; F194-W206 HydrophobicContact CZ-CZ3 3.59Å; F196-W206 HydrophobicContact CB-CB 4.09Å; F196-W206 HydrophobicContact CD2-CE3 4.09Å; F196-W206 PolarHBondContact O-N 2.93Å; W206-V212 HydrophobicContact CH2-CG2 3.77Å; W206-V212 HydrophobicContact CZ3-CG2 3.65Å; W206-N218 HydrophobicContact CH2-CB 4.32Å; W206-N218 WeakPolarHBondContact CH2-O 3.36Å; W206-D221 HydrophobicContact CZ2-CB 4.09Å; W206-A222 HydrophobicContact CD2-CB 4.47Å; W206-A222 HydrophobicContact CE3-CB 4.27Å; W206-A222 HydrophobicContact CH2-CB 3.63Å; W206-A222 HydrophobicContact CZ2-CB 3.84Å; W206-A222 VanDerWaalsContact CZ2-N 3.27Å; W206-A222 HydrophobicContact CZ3-CB 3.86Å; W206-F225 HydrophobicContact CB-CB 4.45Å; W206-F225 HydrophobicContact CB-CD1 3.84Å; W206-F225 HydrophobicContact CB-CD2 3.77Å; W206-F225 HydrophobicContact CB-CE1 3.96Å; W206-F225 HydrophobicContact CB-CE2 3.87Å; W206-F225 HydrophobicContact CB-CG 3.74Å; W206-F225 HydrophobicContact CB-CZ 3.97Å; W206-F225 AromaticContact CD1-CD2 3.67Å; W206-F225 AromaticContact CD1-CG 3.63Å; W206-F225 HydrophobicContact CG-CB 3.9Å; W206-F225 HydrophobicContact CG-CD1 4.14Å; W206-F225 AromaticContact CG-CD2 3.96Å; W206-F225 HydrophobicContact CG-CD2 3.96Å; W206-F225 AromaticContact CG-CG 3.73Å; W206-F225 HydrophobicContact CG-CG 3.73Å
207Q96Very high94.9Very high50 Ų5059.4 Ų59.423%0.23432%0.315CS..  trans-115.796.4174.8-64.7-68.4-9.600109.5N195 V205 D209 V212N195-Q207 PolarHBondContact ND2-O 3.34Å; N195-Q207 PolarHBondContact OD1-N 2.88Å; V205-Q207 WeakPolarHBondContact CG1-O 3.49Å; Q207-D209 PolarHBondContact O-N 3.16Å; Q207-V212 HydrophobicContact CB-CG1 4.24Å; Q207-V212 HydrophobicContact CG-CG1 3.9Å; Q207-V212 HydrophobicContact CG-CG2 4.26Å
208P91.2Very high94.8Very high98 Ų9861.2 Ų61.264%0.63633%0.325SS*.THydrogen-bonded Turntrans-65.7-26.7-177.7-22.834.9000113.9G210P208-G210 VanDerWaalsContact C-N 3.27Å; P208-G210 PolarHBondContact O-N 2.88Å
209D86.8Confident94.8Very high162 Ų16262.3 Ų62.387%0.86633%0.33SS*.THydrogen-bonded Turntrans-76.7-9.8-174.1-56.9-38.7000113.7Q207Q207-D209 PolarHBondContact O-N 3.16Å
210G89.6Confident94.7Very high19 Ų1968.2 Ų68.220%0.19635%0.352CS..  trans144.2-169.7177.400000113.9N195 P208N195-G210 PolarHBondContact ND2-O 2.8Å; P208-G210 VanDerWaalsContact C-N 3.27Å; P208-G210 PolarHBondContact O-N 2.88Å
211L93.7Very high94.7Very high16 Ų1670 Ų708%0.08436%0.361CS..  trans-77.5147.5171.3-69.786.4000110.7N158 V160 H193 N195 L247 L248 Y251N158-L211 HydrophobicContact CB-CD2 3.75Å; V160-L211 HydrophobicContact CG2-CD2 4.31Å; V160-L211 HydrophobicContact CG2-CG 4.42Å; H193-L211 HydrophobicContact CB-CB 3.97Å; H193-L211 HydrophobicContact CB-CD2 4.02Å; N195-L211 HydrophobicContact CB-CG 4.42Å; L211-L247 HydrophobicContact CD1-CD2 3.28Å; L211-L247 HydrophobicContact CD1-CG 4.4Å; L211-L247 HydrophobicContact CG-CD2 3.73Å; L211-L248 HydrophobicContact CD1-CD2 4.1Å; L211-L248 HydrophobicContact CD2-CD2 3.93Å; L211-Y251 HydrophobicContact CB-CD2 4.16Å; L211-Y251 HydrophobicContact CB-CE2 4.32Å; L211-Y251 HydrophobicContact CD1-CD1 4.14Å; L211-Y251 HydrophobicContact CD1-CD2 4.06Å; L211-Y251 HydrophobicContact CD1-CG 3.65Å
212V94.6Very high94.8Very high28 Ų2866.4 Ų66.417%0.1734%0.342CS..EExtended strand (participates in β ladder)trans-118.9149.8179.6-60.50000111.5H193 F194 W206 Q207 N218H193-V212 CarbonylContact C-O 3.58Å; H193-V212 WeakPolarHBondContact CA-O 3.4Å; F194-V212 WeakPolarHBondContact CD1-O 3.26Å; F194-V212 HydrophobicContact CE1-CG2 4.1Å; F194-V212 HydrophobicContact CZ-CG2 4.34Å; F194-V212 PolarHBondContact N-O 3.46Å; F194-V212 PolarHBondContact O-N 3.06Å; F194-V212 VanDerWaalsContact O-N 3.17Å; W206-V212 HydrophobicContact CH2-CG2 3.77Å; W206-V212 HydrophobicContact CZ3-CG2 3.65Å; Q207-V212 HydrophobicContact CB-CG1 4.24Å; Q207-V212 HydrophobicContact CG-CG1 3.9Å; Q207-V212 HydrophobicContact CG-CG2 4.26Å; V212-N218 HydrophobicContact CG2-CB 4.19Å
213L94.4Very high95Very high74 Ų7460.1 Ų60.139%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-61.9148.4173.8-77167.5000112.1H193 T215 N218H193-L213 WeakPolarHBondContact CE1-CD2 3.31Å; H193-L213 VanDerWaalsContact NE2-CD2 3.28Å; H193-L213 WeakPolarHBondContact NE2-CD2 3.46Å; H193-L213 WeakPolarHBondContact NE2-CG 3.16Å; L213-T215 HydrophobicContact CB-CG2 4.03Å; L213-T215 PolarHBondContact O-N 3.45Å; L213-N218 WeakPolarHBondContact O-CB 3.44Å; L213-N218 PolarHBondContact O-ND2 2.95Å
214A95.3Very high95Very high6 Ų663.6 Ų63.65%0.0533%0.332CS..  trans-7456174.600000113.8L188 R189 D192 F194 I219L188-A214 HydrophobicContact CB-CB 3.99Å; R189-A214 WeakPolarHBondContact O-CB 3.32Å; D192-A214 PolarHBondContact O-N 2.94Å; F194-A214 HydrophobicContact CD1-CB 4.22Å; F194-A214 HydrophobicContact CE1-CB 4.24Å; A214-I219 HydrophobicContact CB-CD1 4.41Å
215T96.3Very high95Very high47 Ų4759 Ų5929%0.28831%0.312SS..  trans-77.2155.8173.371.60000111.3L213 L217 N218 I219L213-T215 HydrophobicContact CB-CG2 4.03Å; L213-T215 PolarHBondContact O-N 3.45Å; T215-L217 PolarHBondContact O-N 2.82Å; T215-L217 VanDerWaalsContact O-N 3.16Å; T215-N218 PolarHBondContact O-N 3Å; T215-N218 VanDerWaalsContact O-N 3.15Å; T215-N218 WeakPolarHBondContact OG1-CB 3.17Å; T215-N218 VanDerWaalsContact OG1-CG 3.27Å; T215-N218 PolarHBondContact OG1-N 2.95Å; T215-N218 VanDerWaalsContact OG1-N 3.16Å; T215-N218 PolarHBondContact OG1-ND2 2.73Å; T215-I219 WeakPolarHBondContact O-CB 3.35Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.11Å
216P95.4Very high95Very high114 Ų11457.2 Ų57.274%0.7430%0.301SS*.Hα-helixtrans-55.3-33.7176-27.835.7000114.1R220P216-R220 WeakPolarHBondContact O-CB 3.48Å; P216-R220 PolarHBondContact O-N 2.85Å; P216-R220 VanDerWaalsContact O-N 3.08Å
217L96.2Very high94.8Very high103 Ų10363 Ų6354%0.53932%0.324SS..Hα-helixtrans-68.8-50.2176.2-68.7172.8000111.3T215 I219 R220 D221T215-L217 PolarHBondContact O-N 2.82Å; T215-L217 VanDerWaalsContact O-N 3.16Å; L217-I219 VanDerWaalsContact C-N 3.34Å; L217-I219 PolarHBondContact O-N 2.83Å; L217-R220 WeakPolarHBondContact O-CB 3.24Å; L217-R220 PolarHBondContact O-N 3.3Å; L217-D221 PolarHBondContact O-N 2.8Å
218N96.7Very high94.7Very high39 Ų3965 Ų6521%0.20934%0.339CS..Hα-helixtrans-63.1-39.8178.5-70-17.7000111.6F194 W206 V212 L213 T215 R220 D221 A222F194-N218 HydrophobicContact CE1-CB 4.38Å; F194-N218 HydrophobicContact CZ-CB 4.39Å; W206-N218 HydrophobicContact CH2-CB 4.32Å; W206-N218 WeakPolarHBondContact CH2-O 3.36Å; V212-N218 HydrophobicContact CG2-CB 4.19Å; L213-N218 WeakPolarHBondContact O-CB 3.44Å; L213-N218 PolarHBondContact O-ND2 2.95Å; T215-N218 PolarHBondContact O-N 3Å; T215-N218 VanDerWaalsContact O-N 3.15Å; T215-N218 WeakPolarHBondContact OG1-CB 3.17Å; T215-N218 VanDerWaalsContact OG1-CG 3.27Å; T215-N218 PolarHBondContact OG1-N 2.95Å; T215-N218 VanDerWaalsContact OG1-N 3.16Å; T215-N218 PolarHBondContact OG1-ND2 2.73Å; N218-R220 PolarHBondContact O-N 2.76Å; N218-D221 PolarHBondContact O-N 2.82Å; N218-A222 VanDerWaalsContact O-CB 3.27Å; N218-A222 WeakPolarHBondContact O-CB 3.29Å; N218-A222 PolarHBondContact O-N 3.23Å
219I96.2Very high94.8Very high29 Ų2960.7 Ų60.715%0.14931%0.311CS..Hα-helixtrans-61.8-43.7174.9-70168.2000110.9L185 A214 T215 L217 D221 A222 K223L185-I219 HydrophobicContact CB-CG2 4.35Å; A214-I219 HydrophobicContact CB-CD1 4.41Å; T215-I219 WeakPolarHBondContact O-CB 3.35Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.11Å; L217-I219 VanDerWaalsContact C-N 3.34Å; L217-I219 PolarHBondContact O-N 2.83Å; I219-D221 VanDerWaalsContact C-N 3.34Å; I219-D221 PolarHBondContact O-N 2.92Å; I219-A222 PolarHBondContact O-N 2.82Å; I219-K223 WeakPolarHBondContact O-CG 3.43Å; I219-K223 PolarHBondContact O-N 2.9Å
220R95.8Very high95.1Very high125 Ų12558.7 Ų58.747%0.47230%0.299SS..Hα-helixtrans-61.7-43.4176.8-178.8-165.867.5-164.8-5.1111.3P216 L217 N218 K223 K224P216-R220 WeakPolarHBondContact O-CB 3.48Å; P216-R220 PolarHBondContact O-N 2.85Å; P216-R220 VanDerWaalsContact O-N 3.08Å; L217-R220 WeakPolarHBondContact O-CB 3.24Å; L217-R220 PolarHBondContact O-N 3.3Å; N218-R220 PolarHBondContact O-N 2.76Å; R220-K223 WeakPolarHBondContact O-CB 3.48Å; R220-K223 PolarHBondContact O-N 2.79Å; R220-K224 PolarHBondContact O-N 3.43Å
221D96.6Very high95.3Very high47 Ų4758.9 Ų58.925%0.25130%0.297SS..Hα-helixtrans-75.1-32.7-177.5-65-24.3000111.8W206 L217 N218 I219 K223 K224 F225W206-D221 HydrophobicContact CZ2-CB 4.09Å; L217-D221 PolarHBondContact O-N 2.8Å; N218-D221 PolarHBondContact O-N 2.82Å; I219-D221 VanDerWaalsContact C-N 3.34Å; I219-D221 PolarHBondContact O-N 2.92Å; D221-K223 VanDerWaalsContact C-N 3.34Å; D221-K223 PolarHBondContact O-N 3.04Å; D221-K224 WeakPolarHBondContact O-CB 3.47Å; D221-K224 PolarHBondContact O-N 3.01Å; D221-K224 IonicContact OD1-NZ 2.63Å; D221-K224 PolarHBondContact OD1-NZ 2.93Å; D221-F225 PolarHBondContact O-N 3.48Å; D221-F225 VanDerWaalsContact O-N 3.1Å
222A96.9Very high95.2Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-61.2-41168.500000112.1L185 F194 F196 W206 N218 I219 K224 F225 I226L185-A222 HydrophobicContact CD1-CB 4Å; L185-A222 HydrophobicContact CD2-CB 4.32Å; F194-A222 HydrophobicContact CE2-CB 3.6Å; F194-A222 HydrophobicContact CZ-CB 3.89Å; F196-A222 HydrophobicContact CD2-CB 4.25Å; F196-A222 HydrophobicContact CE2-CB 4.01Å; W206-A222 HydrophobicContact CD2-CB 4.47Å; W206-A222 HydrophobicContact CE3-CB 4.27Å; W206-A222 HydrophobicContact CH2-CB 3.63Å; W206-A222 HydrophobicContact CZ2-CB 3.84Å; W206-A222 VanDerWaalsContact CZ2-N 3.27Å; W206-A222 HydrophobicContact CZ3-CB 3.86Å; N218-A222 VanDerWaalsContact O-CB 3.27Å; N218-A222 WeakPolarHBondContact O-CB 3.29Å; N218-A222 PolarHBondContact O-N 3.23Å; I219-A222 PolarHBondContact O-N 2.82Å; A222-K224 VanDerWaalsContact C-N 3.29Å; A222-K224 PolarHBondContact O-N 2.8Å; A222-F225 WeakPolarHBondContact O-CB 3.21Å; A222-F225 PolarHBondContact O-N 2.73Å; A222-F225 VanDerWaalsContact O-N 3.17Å; A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.1Å
223K96.4Very high95.2Very high67 Ų6762 Ų6229%0.29132%0.32SS..Hα-helixtrans-59.1-41.6174.6-74.3177.1180178.60111.5F182 L185 I219 R220 D221 F225 I226 Y227F182-K223 HydrophobicContact CD1-CB 4.34Å; F182-K223 HydrophobicContact CD1-CG 3.84Å; F182-K223 HydrophobicContact CE1-CB 4.03Å; F182-K223 HydrophobicContact CE1-CG 4.05Å; L185-K223 HydrophobicContact CD1-CG 3.78Å; I219-K223 WeakPolarHBondContact O-CG 3.43Å; I219-K223 PolarHBondContact O-N 2.9Å; R220-K223 WeakPolarHBondContact O-CB 3.48Å; R220-K223 PolarHBondContact O-N 2.79Å; D221-K223 VanDerWaalsContact C-N 3.34Å; D221-K223 PolarHBondContact O-N 3.04Å; K223-F225 VanDerWaalsContact C-N 3.35Å; K223-F225 PolarHBondContact O-N 3.09Å; K223-I226 PolarHBondContact O-N 3.34Å; K223-Y227 WeakPolarHBondContact O-CD2 3.27Å; K223-Y227 PolarHBondContact O-N 2.95Å
224K96.5Very high95.2Very high114 Ų11459.2 Ų59.250%0.49631%0.31SS..Hα-helixtrans-60.4-44.6175.3-64.6172.9-174.3160.10111.3R220 D221 A222 I226 Y227 T228R220-K224 PolarHBondContact O-N 3.43Å; D221-K224 WeakPolarHBondContact O-CB 3.47Å; D221-K224 PolarHBondContact O-N 3.01Å; D221-K224 IonicContact OD1-NZ 2.63Å; D221-K224 PolarHBondContact OD1-NZ 2.93Å; A222-K224 VanDerWaalsContact C-N 3.29Å; A222-K224 PolarHBondContact O-N 2.8Å; K224-I226 PolarHBondContact O-N 2.88Å; K224-Y227 WeakPolarHBondContact O-CB 3.38Å; K224-Y227 PolarHBondContact O-N 2.94Å; K224-T228 WeakPolarHBondContact O-CG2 3.36Å; K224-T228 PolarHBondContact O-N 3.22Å; K224-T228 VanDerWaalsContact O-N 3.12Å
225F96.6Very high95.3Very high30 Ų3059.2 Ų59.213%0.13231%0.309CS..Hα-helixtrans-58.4-48.5175.3178.8-96.7000111.8F196 W206 D221 A222 K223 Y227 T228 L229F196-F225 HydrophobicContact CB-CD1 3.81Å; F196-F225 HydrophobicContact CB-CE1 3.62Å; F196-F225 HydrophobicContact CG-CD1 4.42Å; W206-F225 HydrophobicContact CB-CB 4.45Å; W206-F225 HydrophobicContact CB-CD1 3.84Å; W206-F225 HydrophobicContact CB-CD2 3.77Å; W206-F225 HydrophobicContact CB-CE1 3.96Å; W206-F225 HydrophobicContact CB-CE2 3.87Å; W206-F225 HydrophobicContact CB-CG 3.74Å; W206-F225 HydrophobicContact CB-CZ 3.97Å; W206-F225 AromaticContact CD1-CD2 3.67Å; W206-F225 AromaticContact CD1-CG 3.63Å; W206-F225 HydrophobicContact CG-CB 3.9Å; W206-F225 HydrophobicContact CG-CD1 4.14Å; W206-F225 AromaticContact CG-CD2 3.96Å; W206-F225 HydrophobicContact CG-CD2 3.96Å; W206-F225 AromaticContact CG-CG 3.73Å; W206-F225 HydrophobicContact CG-CG 3.73Å; D221-F225 PolarHBondContact O-N 3.48Å; D221-F225 VanDerWaalsContact O-N 3.1Å; A222-F225 WeakPolarHBondContact O-CB 3.21Å; A222-F225 PolarHBondContact O-N 2.73Å; A222-F225 VanDerWaalsContact O-N 3.17Å; K223-F225 VanDerWaalsContact C-N 3.35Å; K223-F225 PolarHBondContact O-N 3.09Å; F225-Y227 VanDerWaalsContact C-N 3.3Å; F225-Y227 PolarHBondContact O-N 3.43Å; F225-T228 PolarHBondContact O-N 2.63Å; F225-T228 PolarHBondContact O-OG1 3.42Å; F225-L229 HydrophobicContact CD1-CD2 4.47Å; F225-L229 HydrophobicContact CE1-CD2 3.9Å; F225-L229 HydrophobicContact CZ-CD2 4.17Å; F225-L229 PolarHBondContact O-N 2.89Å
226I95.8Very high95.4Very high0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-58.9-40.5176.8-66.5161.8000111.4K178 L181 F182 L185 F196 A222 K223 K224 T228 L229K178-I226 HydrophobicContact CB-CG2 3.98Å; K178-I226 HydrophobicContact CD-CG2 4.49Å; K178-I226 WeakPolarHBondContact CE-O 3.35Å; K178-I226 HydrophobicContact CG-CG2 3.77Å; K178-I226 PolarHBondContact NZ-O 2.72Å; L181-I226 HydrophobicContact CB-CD1 3.85Å; L181-I226 HydrophobicContact CB-CG2 4.45Å; L181-I226 HydrophobicContact CD1-CD1 4.44Å; L181-I226 HydrophobicContact CD1-CG1 4.31Å; L181-I226 HydrophobicContact CD1-CG2 4.36Å; F182-I226 HydrophobicContact CD1-CB 4.47Å; F182-I226 HydrophobicContact CD1-CD1 4.17Å; F182-I226 HydrophobicContact CD1-CG2 4.12Å; F182-I226 HydrophobicContact CE1-CB 3.73Å; F182-I226 HydrophobicContact CE1-CD1 4.22Å; F182-I226 HydrophobicContact CE1-CG2 3.49Å; F182-I226 VanDerWaalsContact CE1-CG2 3.49Å; F182-I226 HydrophobicContact CZ-CB 4.33Å; F182-I226 HydrophobicContact CZ-CG2 3.79Å; L185-I226 HydrophobicContact CD1-CD1 3.49Å; L185-I226 VanDerWaalsContact CD1-CD1 3.49Å; L185-I226 HydrophobicContact CG-CD1 4.37Å; F196-I226 HydrophobicContact CE1-CD1 4.14Å; F196-I226 HydrophobicContact CE1-CG1 4.38Å; F196-I226 HydrophobicContact CE2-CD1 4.09Å; F196-I226 HydrophobicContact CZ-CD1 3.8Å; F196-I226 HydrophobicContact CZ-CG1 4.42Å; A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.1Å; K223-I226 PolarHBondContact O-N 3.34Å; K224-I226 PolarHBondContact O-N 2.88Å; I226-T228 VanDerWaalsContact C-N 3.26Å; I226-T228 PolarHBondContact O-N 2.85Å; I226-L229 HydrophobicContact CG2-CD1 4.4Å; I226-L229 WeakPolarHBondContact O-CB 3.42Å; I226-L229 WeakPolarHBondContact O-CG 3.39Å; I226-L229 PolarHBondContact O-N 2.84Å
227Y94.8Very high95.5Very high155 Ų15552.9 Ų52.961%0.60827%0.267SS*.Hα-helixtrans-59.5-38.4175.1-86.5-67000112.1K178 F182 K223 K224 F225 L229K178-Y227 PolarHBondContact NZ-O 2.99Å; F182-Y227 HydrophobicContact CE1-CD2 4.08Å; F182-Y227 AromaticContact CE1-CE2 3.9Å; F182-Y227 HydrophobicContact CE1-CE2 3.9Å; F182-Y227 HydrophobicContact CE2-CD1 4.44Å; F182-Y227 AromaticContact CE2-CE1 3.83Å; F182-Y227 HydrophobicContact CE2-CE1 3.83Å; F182-Y227 AromaticContact CE2-CE2 3.97Å; F182-Y227 HydrophobicContact CE2-CE2 3.97Å; F182-Y227 AromaticContact CE2-CZ 3.55Å; F182-Y227 AromaticContact CZ-CD1 3.94Å; F182-Y227 HydrophobicContact CZ-CD1 3.94Å; F182-Y227 AromaticContact CZ-CD2 3.6Å; F182-Y227 HydrophobicContact CZ-CD2 3.6Å; F182-Y227 AromaticContact CZ-CE1 3.7Å; F182-Y227 HydrophobicContact CZ-CE1 3.7Å; F182-Y227 AromaticContact CZ-CE2 3.33Å; F182-Y227 HydrophobicContact CZ-CE2 3.33Å; F182-Y227 AromaticContact CZ-CG 3.88Å; F182-Y227 HydrophobicContact CZ-CG 3.88Å; F182-Y227 AromaticContact CZ-CZ 3.38Å; K223-Y227 WeakPolarHBondContact O-CD2 3.27Å; K223-Y227 PolarHBondContact O-N 2.95Å; K224-Y227 WeakPolarHBondContact O-CB 3.38Å; K224-Y227 PolarHBondContact O-N 2.94Å; F225-Y227 VanDerWaalsContact C-N 3.3Å; F225-Y227 PolarHBondContact O-N 3.43Å; Y227-L229 PolarHBondContact O-N 2.69Å
228T93.6Very high95.5Very high91 Ų9149 Ų4956%0.55825%0.247SC*.THydrogen-bonded Turntrans-75.2-5.1-178.771.10000114.8K224 F225 I226 I230K224-T228 WeakPolarHBondContact O-CG2 3.36Å; K224-T228 PolarHBondContact O-N 3.22Å; K224-T228 VanDerWaalsContact O-N 3.12Å; F225-T228 PolarHBondContact O-N 2.63Å; F225-T228 PolarHBondContact O-OG1 3.42Å; I226-T228 VanDerWaalsContact C-N 3.26Å; I226-T228 PolarHBondContact O-N 2.85Å; T228-I230 PolarHBondContact O-N 2.76Å; T228-I230 VanDerWaalsContact O-N 3.1Å
229L93.4Very high95.6Very high9 Ų948 Ų485%0.04725%0.245CC..  trans-65.8111.6176.4-58.8176.6000110.2M174 K178 F225 I226 Y227M174-L229 HydrophobicContact SD-CB 4.2Å; K178-L229 VanDerWaalsContact CE-O 3.24Å; K178-L229 WeakPolarHBondContact CE-O 3.44Å; K178-L229 PolarHBondContact NZ-O 3.01Å; F225-L229 HydrophobicContact CD1-CD2 4.47Å; F225-L229 HydrophobicContact CE1-CD2 3.9Å; F225-L229 HydrophobicContact CZ-CD2 4.17Å; F225-L229 PolarHBondContact O-N 2.89Å; I226-L229 HydrophobicContact CG2-CD1 4.4Å; I226-L229 WeakPolarHBondContact O-CB 3.42Å; I226-L229 WeakPolarHBondContact O-CG 3.39Å; I226-L229 PolarHBondContact O-N 2.84Å; Y227-L229 PolarHBondContact O-N 2.69Å
230I91.4Very high95.6Very high120 Ų12046.6 Ų46.662%0.61524%0.238SC*.  trans-115.3116.9179-64.4166.3000108T228 N232T228-I230 PolarHBondContact O-N 2.76Å; T228-I230 VanDerWaalsContact O-N 3.1Å; I230-N232 PolarHBondContact O-N 2.9Å; I230-N232 PolarHBondContact O-ND2 3.32Å
231P94.9Very high95.7Very high23 Ų2340.6 Ų40.615%0.14922%0.216CC..  trans-54.6118.7174.5-28.137.1000112S165 S166 M169 L170 M174S165-P231 CarbonylContact O-C 3.6Å; S165-P231 VanDerWaalsContact O-CA 3.24Å; S165-P231 WeakPolarHBondContact O-CA 3.5Å; S166-P231 WeakPolarHBondContact O-CB 3.38Å; M169-P231 HydrophobicContact CB-CB 4.42Å; M169-P231 HydrophobicContact CB-CG 4.41Å; L170-P231 HydrophobicContact CB-CB 4.22Å; L170-P231 HydrophobicContact CD1-CB 4.24Å; L170-P231 HydrophobicContact CD1-CG 4.32Å; M174-P231 HydrophobicContact CB-CG 3.79Å; M174-P231 HydrophobicContact CE-CG 3.95Å; M174-P231 HydrophobicContact CG-CG 3.72Å
232N91.9Very high95.8Very high76 Ų7641.3 Ų41.341%0.40622%0.217SC..  trans-160.3156.8176.168.277.4000111.7S165 S166 S200 I230S165-N232 PolarHBondContact O-N 3.25Å; S165-N232 VanDerWaalsContact O-O 3.09Å; S166-N232 WeakPolarHBondContact CA-O 3.33Å; S200-N232 WeakPolarHBondContact CB-O 3.48Å; S200-N232 PolarHBondContact OG-O 2.91Å; S200-N232 PolarHBondContact OG-OD1 2.66Å; I230-N232 PolarHBondContact O-N 2.9Å; I230-N232 PolarHBondContact O-ND2 3.32Å
233G93.7Very high95.8Very high33 Ų3343.6 Ų43.634%0.3423%0.231SC..SBendtrans72-165.9173.600000114.5A167A167-G233 PolarHBondContact N-O 2.78Å
234G95.4Very high95.8Very high16 Ų1640.4 Ų40.417%0.16522%0.217CC..  trans-92.8-154.7176.600000112.9S166 S200 N201S166-G234 VanDerWaalsContact CB-O 3.27Å; S166-G234 WeakPolarHBondContact CB-O 3.46Å; S200-G234 CarbonylContact C-O 3.56Å; S200-G234 WeakPolarHBondContact CA-O 3.36Å; S200-G234 VanDerWaalsContact CB-O 3.26Å; S200-G234 WeakPolarHBondContact CB-O 3.5Å; N201-G234 PolarHBondContact OD1-N 3.24Å
235T96.7Very high95.7Very high6 Ų635 Ų354%0.03719%0.194CC..  trans-134.698.8-163-48.60000110.4D164 S166 F199 I237 R272 P273 T274 I275D164-T235 WeakPolarHBondContact OD2-CG2 3.38Å; S166-T235 WeakPolarHBondContact CB-OG1 3.41Å; F199-T235 HydrophobicContact CE2-CG2 3.76Å; T235-I237 HydrophobicContact CG2-CD1 4.32Å; T235-I237 HydrophobicContact CG2-CG1 3.82Å; T235-R272 WeakPolarHBondContact CB-O 3.35Å; T235-P273 WeakPolarHBondContact O-CA 3.47Å; T235-T274 PolarHBondContact N-OG1 3.41Å; T235-T274 PolarHBondContact O-N 2.84Å; T235-I275 PolarHBondContact O-N 2.74Å
236N97.6Very high95.7Very high26 Ų2634.7 Ų34.714%0.13920%0.197CC..  trans-96.780.2176.8-170.8-8.8000111.9F199 S200 G239 A240 I275F199-N236 WeakPolarHBondContact CD2-O 3.47Å; S200-N236 WeakPolarHBondContact O-CB 3.45Å; S200-N236 PolarHBondContact O-N 3.41Å; N236-G239 PolarHBondContact OD1-N 2.78Å; N236-A240 WeakPolarHBondContact O-CB 3.3Å; N236-A240 PolarHBondContact O-N 3.45Å; N236-I275 WeakPolarHBondContact CA-O 3.13Å; N236-I275 HydrophobicContact CB-CB 4.03Å; N236-I275 HydrophobicContact CB-CG2 4.07Å; N236-I275 PolarHBondContact OD1-O 2.93Å
237I97.8Very high95.6Very high1 Ų135.4 Ų35.41%0.00520%0.201CC..Hα-helixtrans-65.2-48.4-177.5-61.7-169.4000111.5F199 T235 A240 I241 F267 P273 I283 L310 M314F199-I237 HydrophobicContact CE2-CG1 4.23Å; T235-I237 HydrophobicContact CG2-CD1 4.32Å; T235-I237 HydrophobicContact CG2-CG1 3.82Å; I237-A240 PolarHBondContact O-N 2.88Å; I237-I241 HydrophobicContact CG2-CG1 4.39Å; I237-I241 WeakPolarHBondContact O-CG1 3.5Å; I237-I241 PolarHBondContact O-N 3.36Å; I237-F267 HydrophobicContact CB-CZ 4.17Å; I237-F267 HydrophobicContact CD1-CE1 4.49Å; I237-F267 HydrophobicContact CD1-CZ 4.23Å; I237-F267 HydrophobicContact CG1-CZ 3.98Å; I237-F267 HydrophobicContact CG2-CE1 4.25Å; I237-F267 HydrophobicContact CG2-CE2 4.18Å; I237-F267 HydrophobicContact CG2-CZ 3.61Å; I237-P273 HydrophobicContact CB-CB 4.26Å; I237-P273 HydrophobicContact CD1-CB 4.1Å; I237-P273 HydrophobicContact CD1-CG 4.42Å; I237-P273 HydrophobicContact CG1-CB 4.07Å; I237-I283 HydrophobicContact CG2-CG2 4.27Å; I237-L310 HydrophobicContact CD1-CD2 4.39Å; I237-M314 HydrophobicContact CG2-CE 3.99Å
238D97.9Very high95.5Very high23 Ų2328 Ų2812%0.12317%0.172CC..Hα-helixtrans-59.4-51.9-176.8-17572.7000111.1A240 I241 Q242 E277 I283 N286D238-A240 VanDerWaalsContact C-N 3.28Å; D238-A240 PolarHBondContact O-N 2.89Å; D238-I241 PolarHBondContact O-N 2.8Å; D238-Q242 WeakPolarHBondContact O-CB 3.3Å; D238-Q242 VanDerWaalsContact O-CG 3.28Å; D238-Q242 WeakPolarHBondContact O-CG 3.35Å; D238-Q242 PolarHBondContact O-N 2.93Å; D238-E277 HydrophobicContact CB-CB 3.88Å; D238-I283 HydrophobicContact CB-CG1 4.16Å; D238-I283 HydrophobicContact CB-CG2 4.5Å; D238-N286 VanDerWaalsContact OD1-CB 3.31Å; D238-N286 WeakPolarHBondContact OD1-CB 3.08Å; D238-N286 PolarHBondContact OD1-ND2 2.87Å; D238-N286 PolarHBondContact OD2-ND2 3.36Å
239G97.3Very high95.3Very high16 Ų1626.8 Ų26.817%0.16516%0.157CC..Hα-helixtrans-58.1-41.1178.500000112.4N236 Q242 T243N236-G239 PolarHBondContact OD1-N 2.78Å; G239-Q242 PolarHBondContact O-N 3.15Å; G239-T243 WeakPolarHBondContact O-CB 3.36Å; G239-T243 PolarHBondContact O-N 3.28Å; G239-T243 PolarHBondContact O-OG1 3.45Å
240A97.3Very high95.2Very high0 Ų030.9 Ų30.90%018%0.179CC..Hα-helixtrans-64.8-43.8179.400000112.6V162 F199 V203 N236 I237 D238 G244 F267V162-A240 HydrophobicContact CG1-CB 3.68Å; F199-A240 HydrophobicContact CB-CB 3.56Å; F199-A240 HydrophobicContact CD1-CB 3.59Å; F199-A240 HydrophobicContact CD2-CB 3.94Å; F199-A240 HydrophobicContact CE1-CB 4.23Å; F199-A240 HydrophobicContact CG-CB 3.42Å; F199-A240 VanDerWaalsContact CG-CB 3.42Å; V203-A240 HydrophobicContact CG2-CB 4.37Å; N236-A240 WeakPolarHBondContact O-CB 3.3Å; N236-A240 PolarHBondContact O-N 3.45Å; I237-A240 PolarHBondContact O-N 2.88Å; D238-A240 VanDerWaalsContact C-N 3.28Å; D238-A240 PolarHBondContact O-N 2.89Å; A240-G244 PolarHBondContact O-N 3.06Å; A240-F267 HydrophobicContact CB-CE2 4.47Å
241I97.4Very high95Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-67.6-42.4176.9-69.3-65.7000111.2I237 D238 T243 G244 S245 F267 T287 I297 M314I237-I241 HydrophobicContact CG2-CG1 4.39Å; I237-I241 WeakPolarHBondContact O-CG1 3.5Å; I237-I241 PolarHBondContact O-N 3.36Å; D238-I241 PolarHBondContact O-N 2.8Å; I241-T243 PolarHBondContact O-N 2.91Å; I241-G244 PolarHBondContact O-N 3.42Å; I241-S245 WeakPolarHBondContact O-CB 3.42Å; I241-S245 PolarHBondContact O-N 3.49Å; I241-S245 PolarHBondContact O-OG 3.02Å; I241-F267 HydrophobicContact CD1-CB 4.18Å; I241-F267 HydrophobicContact CD1-CD2 3.36Å; I241-F267 HydrophobicContact CD1-CE2 3.93Å; I241-F267 HydrophobicContact CD1-CG 3.88Å; I241-F267 HydrophobicContact CG1-CD2 4Å; I241-F267 HydrophobicContact CG1-CE2 4.03Å; I241-T287 HydrophobicContact CG2-CG2 3.64Å; I241-T287 WeakPolarHBondContact CG2-OG1 3.41Å; I241-I297 HydrophobicContact CG2-CD1 4.35Å; I241-M314 HydrophobicContact CD1-SD 3.87Å; I241-M314 HydrophobicContact CG1-CE 4.13Å; I241-M314 HydrophobicContact CG1-SD 4.03Å
242Q97.5Very high94.6Very high61 Ų6128.4 Ų28.429%0.28516%0.163SC..Hα-helixtrans-59.8-46.7175.8-69.9-58.4-54.500111.3D238 G239 S245 A246 N286D238-Q242 WeakPolarHBondContact O-CB 3.3Å; D238-Q242 VanDerWaalsContact O-CG 3.28Å; D238-Q242 WeakPolarHBondContact O-CG 3.35Å; D238-Q242 PolarHBondContact O-N 2.93Å; G239-Q242 PolarHBondContact O-N 3.15Å; Q242-S245 PolarHBondContact O-N 3.27Å; Q242-A246 WeakPolarHBondContact O-CB 3.38Å; Q242-A246 PolarHBondContact O-N 2.88Å; Q242-N286 PolarHBondContact NE2-O 3.43Å
243T97.1Very high94.3Very high48 Ų4828.4 Ų28.429%0.29417%0.169SC..Hα-helixtrans-64.4-45.3177.7-56.70000112.1I197 V203 V205 G239 I241 S245 A246 L247I197-T243 HydrophobicContact CD1-CG2 4.1Å; V203-T243 HydrophobicContact CG1-CG2 4.05Å; V205-T243 HydrophobicContact CG2-CG2 3.54Å; G239-T243 WeakPolarHBondContact O-CB 3.36Å; G239-T243 PolarHBondContact O-N 3.28Å; G239-T243 PolarHBondContact O-OG1 3.45Å; I241-T243 PolarHBondContact O-N 2.91Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 3.15Å; T243-A246 PolarHBondContact O-N 3.35Å; T243-L247 WeakPolarHBondContact O-CB 3.46Å; T243-L247 PolarHBondContact O-N 2.8Å
244G96.3Very high93.7Very high0 Ų030.4 Ų30.40%017%0.172CC..Hα-helixtrans-64.3-39177.700000113.2A240 I241 L247 L248A240-G244 PolarHBondContact O-N 3.06Å; I241-G244 PolarHBondContact O-N 3.42Å; G244-L247 PolarHBondContact O-N 3.41Å; G244-L248 PolarHBondContact O-N 3.06Å; G244-L248 VanDerWaalsContact O-N 3.15Å
245S96Very high92.4Very high0 Ų035.3 Ų35.30%020%0.201CC..Hα-helixtrans-67.6-39.9176.4-60.40000111.8I241 Q242 T243 R249I241-S245 WeakPolarHBondContact O-CB 3.42Å; I241-S245 PolarHBondContact O-N 3.49Å; I241-S245 PolarHBondContact O-OG 3.02Å; Q242-S245 PolarHBondContact O-N 3.27Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 3.15Å; S245-R249 WeakPolarHBondContact O-CB 3.45Å; S245-R249 PolarHBondContact O-N 2.87Å
246A95Very high91Very high24 Ų2442.4 Ų42.420%0.19824%0.238CC..Hα-helixtrans-61.9-47.5174.500000111.4Q242 T243 L248 R249 D250Q242-A246 WeakPolarHBondContact O-CB 3.38Å; Q242-A246 PolarHBondContact O-N 2.88Å; T243-A246 PolarHBondContact O-N 3.35Å; A246-L248 VanDerWaalsContact C-N 3.34Å; A246-L248 PolarHBondContact O-N 2.93Å; A246-R249 PolarHBondContact O-N 3.07Å; A246-R249 VanDerWaalsContact O-N 3.15Å; A246-D250 WeakPolarHBondContact O-CB 3.16Å; A246-D250 PolarHBondContact O-N 2.97Å
247L94.3Very high89.4Confident16 Ų1642.3 Ų42.38%0.08424%0.239CC..Hα-helixtrans-60-42-179.2-166.6140.9000112.7V160 N195 V205 L211 T243 G244 Y251V160-L247 HydrophobicContact CG2-CD2 3.75Å; N195-L247 HydrophobicContact CB-CD2 3.97Å; N195-L247 VanDerWaalsContact ND2-CD1 3.3Å; N195-L247 WeakPolarHBondContact ND2-CD1 3.21Å; V205-L247 HydrophobicContact CG1-CD1 3.53Å; L211-L247 HydrophobicContact CD1-CD2 3.28Å; L211-L247 HydrophobicContact CD1-CG 4.4Å; L211-L247 HydrophobicContact CG-CD2 3.73Å; T243-L247 WeakPolarHBondContact O-CB 3.46Å; T243-L247 PolarHBondContact O-N 2.8Å; G244-L247 PolarHBondContact O-N 3.41Å; L247-Y251 WeakPolarHBondContact O-CB 3.32Å; L247-Y251 PolarHBondContact O-N 3.47Å
248L92.4Very high87.6Confident0 Ų044.4 Ų44.40%026%0.261CS..Hα-helixtrans-69.8-43173.6-83.5173.1000112.7N158 V160 L211 G244 A246 D250 Y251 L252 I265 F295N158-L248 HydrophobicContact CB-CD2 3.94Å; V160-L248 HydrophobicContact CB-CD1 4.45Å; V160-L248 HydrophobicContact CB-CG 4.47Å; V160-L248 HydrophobicContact CG2-CD1 4.12Å; V160-L248 HydrophobicContact CG2-CD2 3.97Å; V160-L248 HydrophobicContact CG2-CG 3.65Å; L211-L248 HydrophobicContact CD1-CD2 4.1Å; L211-L248 HydrophobicContact CD2-CD2 3.93Å; G244-L248 PolarHBondContact O-N 3.06Å; G244-L248 VanDerWaalsContact O-N 3.15Å; A246-L248 VanDerWaalsContact C-N 3.34Å; A246-L248 PolarHBondContact O-N 2.93Å; L248-D250 VanDerWaalsContact C-N 3.34Å; L248-D250 PolarHBondContact O-N 3.38Å; L248-Y251 PolarHBondContact O-N 3.43Å; L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 WeakPolarHBondContact O-CG 3.29Å; L248-L252 PolarHBondContact O-N 3.48Å; L248-I265 HydrophobicContact CD1-CD1 4.1Å; L248-I265 HydrophobicContact CD1-CG1 3.47Å; L248-I265 VanDerWaalsContact CD1-CG1 3.47Å; L248-F295 HydrophobicContact CB-CD1 4.11Å; L248-F295 HydrophobicContact CB-CE1 3.93Å; L248-F295 HydrophobicContact CB-CZ 4.24Å; L248-F295 HydrophobicContact CD1-CB 4.49Å; L248-F295 HydrophobicContact CD1-CD1 4.35Å; L248-F295 HydrophobicContact CD1-CD2 3.86Å; L248-F295 HydrophobicContact CD1-CE2 4.12Å; L248-F295 HydrophobicContact CD1-CG 3.99Å; L248-F295 HydrophobicContact CD1-CZ 4.5Å
249R90.8Very high85.7Confident65 Ų6548.7 Ų48.725%0.24529%0.29CS..Hα-helixtrans-63.5-42.7-178.9-179.5-169.462.6-116.1-8.9111.4S245 A246 Y251 L252 S253S245-R249 WeakPolarHBondContact O-CB 3.45Å; S245-R249 PolarHBondContact O-N 2.87Å; A246-R249 PolarHBondContact O-N 3.07Å; A246-R249 VanDerWaalsContact O-N 3.15Å; R249-Y251 VanDerWaalsContact C-N 3.35Å; R249-L252 CarbonylContact O-C 3.46Å; R249-L252 PolarHBondContact O-N 2.96Å; R249-S253 WeakPolarHBondContact O-CB 3.49Å; R249-S253 PolarHBondContact O-N 3.35Å; R249-S253 PolarHBondContact O-OG 3.22Å
250D89.8Confident84.2Confident95 Ų9549 Ų4951%0.50829%0.288SS..Hα-helixtrans-66.7-41.9-178.5-60.6-9000109.4A246 L248 L252 S253 D254A246-D250 WeakPolarHBondContact O-CB 3.16Å; A246-D250 PolarHBondContact O-N 2.97Å; L248-D250 VanDerWaalsContact C-N 3.34Å; L248-D250 PolarHBondContact O-N 3.38Å; D250-L252 PolarHBondContact O-N 3.3Å; D250-S253 PolarHBondContact O-N 2.84Å; D250-D254 PolarHBondContact O-N 2.8Å
251Y88.2Confident83.2Confident37 Ų3750.1 Ų50.115%0.14530%0.296CS..Hα-helixtrans-59.9-44.8171179.6-98.4000113.1N158 H193 L211 L247 L248 R249 S253 D254 T257N158-Y251 HydrophobicContact CB-CE1 4.38Å; N158-Y251 WeakPolarHBondContact ND2-CE1 3.3Å; H193-Y251 PolarHBondContact CD2-OH 2.94Å; H193-Y251 PolarHBondContact CE1-OH 2.83Å; H193-Y251 VanDerWaalsContact CG-OH 3.32Å; H193-Y251 PolarHBondContact ND1-OH 3.27Å; H193-Y251 PolarHBondContact NE2-OH 2.81Å; L211-Y251 HydrophobicContact CB-CD2 4.16Å; L211-Y251 HydrophobicContact CB-CE2 4.32Å; L211-Y251 HydrophobicContact CD1-CD1 4.14Å; L211-Y251 HydrophobicContact CD1-CD2 4.06Å; L211-Y251 HydrophobicContact CD1-CG 3.65Å; L247-Y251 WeakPolarHBondContact O-CB 3.32Å; L247-Y251 PolarHBondContact O-N 3.47Å; L248-Y251 PolarHBondContact O-N 3.43Å; R249-Y251 VanDerWaalsContact C-N 3.35Å; Y251-S253 PolarHBondContact O-N 2.94Å; Y251-D254 WeakPolarHBondContact O-CB 3.43Å; Y251-D254 PolarHBondContact O-N 3.14Å; Y251-T257 HydrophobicContact CD1-CG2 3.94Å; Y251-T257 HydrophobicContact CE1-CG2 3.4Å; Y251-T257 HydrophobicContact CE2-CG2 4.43Å; Y251-T257 WeakPolarHBondContact O-CB 3.37Å; Y251-T257 PolarHBondContact O-OG1 3.35Å
252L86.7Confident82.8Confident54 Ų5450.3 Ų50.328%0.28330%0.296SS..Hα-helixtrans-71.9-11.9178.2-71.4174000114.1L248 R249 D250 K294 F295L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 WeakPolarHBondContact O-CG 3.29Å; L248-L252 PolarHBondContact O-N 3.48Å; R249-L252 CarbonylContact O-C 3.46Å; R249-L252 PolarHBondContact O-N 2.96Å; D250-L252 PolarHBondContact O-N 3.3Å; L252-K294 HydrophobicContact CD1-CB 4.35Å; L252-F295 HydrophobicContact CD1-CD1 4.01Å
253S85Confident82.4Confident75 Ų7547.8 Ų47.852%0.52429%0.286SS..Hα-helixtrans-94.6-8.8177-54.80000112.2R249 D250 Y251R249-S253 WeakPolarHBondContact O-CB 3.49Å; R249-S253 PolarHBondContact O-N 3.35Å; R249-S253 PolarHBondContact O-OG 3.22Å; D250-S253 PolarHBondContact O-N 2.84Å; Y251-S253 PolarHBondContact O-N 2.94Å
254D81.1Confident82.3Confident75 Ų7545.6 Ų45.640%0.40127%0.272SS..  trans-72120.8175.3-171.2-24.6000109.8D250 Y251 D256 T257D250-D254 PolarHBondContact O-N 2.8Å; Y251-D254 WeakPolarHBondContact O-CB 3.43Å; Y251-D254 PolarHBondContact O-N 3.14Å; D254-D256 PolarHBondContact O-N 2.94Å; D254-D256 PolarHBondContact OD1-N 3.26Å; D254-T257 VanDerWaalsContact O-CB 3.3Å; D254-T257 WeakPolarHBondContact O-CB 3.25Å; D254-T257 PolarHBondContact O-N 3.26Å
255P68.4Low82.3Confident120 Ų12045.6 Ų45.678%0.77927%0.272SS*.THydrogen-bonded Turntrans-64.7-19.7-179.125.4-33.5000114.1T257P255-T257 VanDerWaalsContact C-N 3.31Å
256D66.5Low82.4Confident154 Ų15446 Ų4682%0.82428%0.275SS*.THydrogen-bonded Turntrans-81.8-12.9174.8-70.2-24.8000112.2D254 G258D254-D256 PolarHBondContact O-N 2.94Å; D254-D256 PolarHBondContact OD1-N 3.26Å; D256-G258 PolarHBondContact O-N 3.37Å
257T64.9Low82.5Confident25 Ų2544.9 Ų44.915%0.15327%0.265CS..SBendtrans-75.3106.6173-62.30000109.1Y251 D254 P255Y251-T257 HydrophobicContact CD1-CG2 3.94Å; Y251-T257 HydrophobicContact CE1-CG2 3.4Å; Y251-T257 HydrophobicContact CE2-CG2 4.43Å; Y251-T257 WeakPolarHBondContact O-CB 3.37Å; Y251-T257 PolarHBondContact O-OG1 3.35Å; D254-T257 VanDerWaalsContact O-CB 3.3Å; D254-T257 WeakPolarHBondContact O-CB 3.25Å; D254-T257 PolarHBondContact O-N 3.26Å; P255-T257 VanDerWaalsContact C-N 3.31Å
258G59.4Low82.7Confident45 Ų4544.3 Ų44.346%0.46426%0.262SS..  trans-51.1136.3175.800000111.3D256 N260D256-G258 PolarHBondContact O-N 3.37Å; G258-N260 PolarHBondContact O-N 3.49Å
259P58.3Low82.9Confident113 Ų11344.3 Ų44.373%0.73426%0.262SS*.SBendtrans-68.32.9-167.827-34.3000114.5D400P259-D400 WeakPolarHBondContact CG-OD1 3.43Å
260N65.1Low83Confident22 Ų2241.3 Ų41.312%0.11825%0.251CS..  trans-122.948.1-155-116.677.4000115V155 G258 S397 N399 D400V155-N260 WeakPolarHBondContact CG1-O 3.08Å; G258-N260 PolarHBondContact O-N 3.49Å; N260-S397 PolarHBondContact ND2-OG 2.9Å; N260-S397 PolarHBondContact OD1-OG 3.34Å; N260-N399 WeakPolarHBondContact ND2-CA 3.31Å; N260-N399 PolarHBondContact ND2-N 3.07Å; N260-D400 WeakPolarHBondContact CB-OD1 3.37Å; N260-D400 VanDerWaalsContact CG-OD1 3.27Å; N260-D400 PolarHBondContact ND2-N 2.83Å; N260-D400 PolarHBondContact OD1-N 3.46Å; N260-D400 PolarHBondContact OD1-OD1 3.04Å
261S78.1Confident83.2Confident24 Ų2437.1 Ų37.117%0.16823%0.23CC..  trans-126142.3174.345.10000110.8P156 N158 S263P156-S261 VanDerWaalsContact O-CA 3.26Å; P156-S261 WeakPolarHBondContact O-CA 3.48Å; P156-S261 WeakPolarHBondContact O-CB 3.4Å; N158-S261 WeakPolarHBondContact ND2-CB 3.35Å; N158-S261 PolarHBondContact ND2-OG 2.95Å; S261-S263 PolarHBondContact O-N 2.87Å
262V87.4Confident83.6Confident3 Ų342.7 Ų42.72%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-79.9119.5173.2171.50000108.7V155 P156 K157 N158 L264 P345 N369V155-V262 HydrophobicContact CG1-CG2 4.29Å; P156-V262 PolarHBondContact O-N 3.36Å; K157-V262 CarbonylContact C-O 3.58Å; K157-V262 WeakPolarHBondContact CA-O 3.21Å; K157-V262 WeakPolarHBondContact CB-O 3.44Å; N158-V262 PolarHBondContact N-O 3.5Å; V262-L264 HydrophobicContact CG1-CD2 4.26Å; V262-P345 HydrophobicContact CB-CB 4.02Å; V262-P345 HydrophobicContact CB-CG 4.01Å; V262-P345 HydrophobicContact CG1-CB 4.31Å; V262-P345 HydrophobicContact CG1-CG 4.5Å; V262-P345 HydrophobicContact CG2-CB 3.7Å; V262-P345 HydrophobicContact CG2-CG 4.13Å; V262-N369 WeakPolarHBondContact CG1-OD1 3.4Å; V262-N369 WeakPolarHBondContact CG2-OD1 3.45Å
263S90.9Very high84.1Confident9 Ų940.8 Ų40.86%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-99.8131.5179.2-64.30000111.3N158 S261 F295 C296N158-S263 PolarHBondContact ND2-OG 2.92Å; N158-S263 WeakPolarHBondContact O-CA 3.48Å; S261-S263 PolarHBondContact O-N 2.87Å; S263-F295 WeakPolarHBondContact O-CA 3.15Å; S263-F295 WeakPolarHBondContact O-CB 3.48Å; S263-C296 PolarHBondContact O-N 2.78Å
264L94.1Very high84.6Confident2 Ų241.1 Ų41.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-150.4148.7-179.263.294.3000113.6N158 V159 V160 V262 I266 C296 F298N158-L264 PolarHBondContact O-N 3.21Å; V159-L264 WeakPolarHBondContact CA-O 3.26Å; V159-L264 HydrophobicContact CB-CD1 4.05Å; V159-L264 HydrophobicContact CB-CG 4.45Å; V159-L264 HydrophobicContact CG2-CD1 3.57Å; V159-L264 HydrophobicContact CG2-CG 4.46Å; V160-L264 PolarHBondContact N-O 2.89Å; V160-L264 VanDerWaalsContact N-O 3.09Å; V262-L264 HydrophobicContact CG1-CD2 4.26Å; L264-I266 HydrophobicContact CD1-CD1 3.86Å; L264-I266 HydrophobicContact CD1-CG1 3.6Å; L264-C296 CarbonylContact C-O 3.51Å; L264-C296 VanDerWaalsContact CA-O 3.26Å; L264-C296 WeakPolarHBondContact CA-O 3.47Å; L264-F298 HydrophobicContact CB-CD2 4.15Å; L264-F298 HydrophobicContact CB-CE2 4.03Å; L264-F298 HydrophobicContact CD1-CD2 4.39Å; L264-F298 HydrophobicContact CD2-CE2 4.4Å
265I97Very high85.4Confident0 Ų040.5 Ų40.50%024%0.237CC..EExtended strand (participates in β ladder)trans-105.1132.8168.9-63-176.2000108.5V160 V162 L248 F267 F295 C296 I297 F298V160-I265 HydrophobicContact CB-CG1 4.48Å; V160-I265 WeakPolarHBondContact O-CA 3.26Å; V162-I265 HydrophobicContact CB-CG2 4.4Å; V162-I265 HydrophobicContact CG2-CG2 3.71Å; L248-I265 HydrophobicContact CD1-CD1 4.1Å; L248-I265 HydrophobicContact CD1-CG1 3.47Å; L248-I265 VanDerWaalsContact CD1-CG1 3.47Å; I265-F267 HydrophobicContact CG2-CB 4.39Å; I265-F295 HydrophobicContact CD1-CD2 4.19Å; I265-F295 HydrophobicContact CD1-CE2 3.62Å; I265-F295 HydrophobicContact CG1-CD2 4.18Å; I265-F295 HydrophobicContact CG1-CE2 4.11Å; I265-C296 PolarHBondContact N-O 3.01Å; I265-I297 HydrophobicContact CB-CG1 4.23Å; I265-I297 HydrophobicContact CB-CG2 4.47Å; I265-I297 HydrophobicContact CD1-CG1 4.43Å; I265-I297 HydrophobicContact CG2-CG2 4.45Å; I265-F298 PolarHBondContact O-N 3.28Å
266I97Very high86.7Confident9 Ų937.5 Ų37.55%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-107.9106.2167.2-61.7173.1000107.3V159 V160 F161 V162 L264 F298 I300 Y339 I342V159-I266 HydrophobicContact CG2-CD1 4.02Å; V159-I266 HydrophobicContact CG2-CG1 4.34Å; V160-I266 PolarHBondContact O-N 3.26Å; F161-I266 HydrophobicContact CD1-CB 4.1Å; F161-I266 HydrophobicContact CD1-CD1 4.15Å; F161-I266 HydrophobicContact CD1-CG2 4.47Å; F161-I266 HydrophobicContact CE1-CB 4.5Å; F161-I266 HydrophobicContact CE1-CD1 3.67Å; F161-I266 HydrophobicContact CZ-CD1 4.46Å; V162-I266 PolarHBondContact N-O 3.25Å; L264-I266 HydrophobicContact CD1-CD1 3.86Å; L264-I266 HydrophobicContact CD1-CG1 3.6Å; I266-F298 WeakPolarHBondContact CA-O 3.05Å; I266-I300 HydrophobicContact CG2-CD1 3.79Å; I266-I300 HydrophobicContact CG2-CG1 4.48Å; I266-Y339 HydrophobicContact CD1-CD2 3.97Å; I266-Y339 HydrophobicContact CD1-CE2 4.36Å; I266-I342 HydrophobicContact CD1-CD1 3.91Å; I266-I342 HydrophobicContact CG1-CD1 4.17Å
267F98Very high88.1Confident0 Ų033 Ų330%020%0.202CC..EExtended strand (participates in β ladder)trans-99.9124.2-178.5-178.2-94000110.6V162 F199 I237 A240 I241 I265 T269 I297 F298 T299 I300 L311V162-F267 HydrophobicContact CB-CD2 3.84Å; V162-F267 HydrophobicContact CG1-CD2 3.55Å; V162-F267 HydrophobicContact CG1-CE2 3.83Å; V162-F267 WeakPolarHBondContact O-CA 3.45Å; F199-F267 HydrophobicContact CD1-CE2 4.49Å; F199-F267 HydrophobicContact CE1-CD2 4.34Å; F199-F267 AromaticContact CE1-CE2 3.59Å; F199-F267 HydrophobicContact CE1-CE2 3.59Å; F199-F267 AromaticContact CE1-CZ 3.98Å; F199-F267 HydrophobicContact CE1-CZ 3.98Å; F199-F267 HydrophobicContact CE2-CE2 4.39Å; F199-F267 HydrophobicContact CE2-CZ 4.22Å; F199-F267 HydrophobicContact CZ-CE1 4.47Å; F199-F267 AromaticContact CZ-CE2 3.53Å; F199-F267 HydrophobicContact CZ-CE2 3.53Å; F199-F267 AromaticContact CZ-CZ 3.44Å; F199-F267 HydrophobicContact CZ-CZ 3.44Å; F199-F267 VanDerWaalsContact CZ-CZ 3.44Å; I237-F267 HydrophobicContact CB-CZ 4.17Å; I237-F267 HydrophobicContact CD1-CE1 4.49Å; I237-F267 HydrophobicContact CD1-CZ 4.23Å; I237-F267 HydrophobicContact CG1-CZ 3.98Å; I237-F267 HydrophobicContact CG2-CE1 4.25Å; I237-F267 HydrophobicContact CG2-CE2 4.18Å; I237-F267 HydrophobicContact CG2-CZ 3.61Å; A240-F267 HydrophobicContact CB-CE2 4.47Å; I241-F267 HydrophobicContact CD1-CB 4.18Å; I241-F267 HydrophobicContact CD1-CD2 3.36Å; I241-F267 HydrophobicContact CD1-CE2 3.93Å; I241-F267 HydrophobicContact CD1-CG 3.88Å; I241-F267 HydrophobicContact CG1-CD2 4Å; I241-F267 HydrophobicContact CG1-CE2 4.03Å; I265-F267 HydrophobicContact CG2-CB 4.39Å; F267-T269 HydrophobicContact CD1-CG2 4.38Å; F267-T269 HydrophobicContact CE1-CG2 3.59Å; F267-T269 HydrophobicContact CZ-CG2 4.35Å; F267-I297 HydrophobicContact CB-CG2 4.47Å; F267-F298 PolarHBondContact N-O 2.9Å; F267-T299 HydrophobicContact CB-CG2 4.26Å; F267-T299 HydrophobicContact CD1-CG2 4.23Å; F267-T299 CarbonylContact O-C 3.57Å; F267-T299 WeakPolarHBondContact O-CA 3.42Å; F267-I300 PolarHBondContact O-N 2.86Å; F267-L311 HydrophobicContact CD1-CD2 4Å; F267-L311 HydrophobicContact CE1-CD2 3.78Å
268L97.1Very high89.6Confident4 Ų434.5 Ų34.52%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-125127.9-177.7-177.2157.4000110.3V162 I163 D164 M169 T177 I300 I302 L335V162-L268 PolarHBondContact O-N 3.18Å; I163-L268 HydrophobicContact CD1-CB 4.08Å; D164-L268 WeakPolarHBondContact CB-O 3.19Å; D164-L268 PolarHBondContact N-O 3.23Å; M169-L268 HydrophobicContact CE-CD2 3.6Å; T177-L268 HydrophobicContact CG2-CD1 3.93Å; T177-L268 HydrophobicContact CG2-CD2 4.28Å; L268-I300 WeakPolarHBondContact CA-O 3.36Å; L268-I300 HydrophobicContact CB-CB 4.47Å; L268-I300 HydrophobicContact CG-CB 4.46Å; L268-I302 HydrophobicContact CD1-CD1 4.19Å; L268-I302 HydrophobicContact CD2-CD1 3.83Å; L268-I302 HydrophobicContact CG-CD1 4.12Å; L268-L335 HydrophobicContact CD1-CD1 3.94Å; L268-L335 HydrophobicContact CD1-CD2 3.65Å; L268-L335 HydrophobicContact CD1-CG 4.47Å
269T96.4Very high91.3Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-146.3155.8175.5-176.50000112D164 F267 G271 I300 G301 I302 V306 L311D164-T269 WeakPolarHBondContact OD2-CB 3.38Å; D164-T269 PolarHBondContact OD2-OG1 2.79Å; F267-T269 HydrophobicContact CD1-CG2 4.38Å; F267-T269 HydrophobicContact CE1-CG2 3.59Å; F267-T269 HydrophobicContact CZ-CG2 4.35Å; T269-G271 PolarHBondContact OG1-N 3.37Å; T269-G271 PolarHBondContact OG1-O 2.82Å; T269-I300 PolarHBondContact N-O 3.09Å; T269-G301 WeakPolarHBondContact O-CA 3.46Å; T269-I302 PolarHBondContact O-N 3.09Å; T269-V306 HydrophobicContact CG2-CG1 4.3Å; T269-L311 HydrophobicContact CG2-CD1 3.83Å; T269-L311 HydrophobicContact CG2-CD2 4.09Å; T269-L311 HydrophobicContact CG2-CG 4.48Å
270D94.4Very high93Very high1 Ų134.6 Ų34.61%0.00519%0.193CC..SBendtrans-113.77.817178.7-26000113.6S168 M169 K173 I302 V306S168-D270 VanDerWaalsContact CB-OD2 3.27Å; S168-D270 WeakPolarHBondContact CB-OD2 3.28Å; S168-D270 VanDerWaalsContact O-OD2 3.09Å; S168-D270 PolarHBondContact OG-OD1 2.82Å; S168-D270 PolarHBondContact OG-OD2 2.69Å; M169-D270 HydrophobicContact CG-CB 4.45Å; M169-D270 WeakPolarHBondContact CG-OD1 3.45Å; M169-D270 PolarHBondContact N-OD2 2.96Å; M169-D270 HydrophobicContact SD-CB 3.53Å; M169-D270 VanDerWaalsContact SD-CB 3.53Å; K173-D270 HydrophobicContact CD-CB 4.1Å; K173-D270 WeakPolarHBondContact CE-OD2 3.34Å; K173-D270 IonicContact NZ-OD2 2.93Å; K173-D270 PolarHBondContact NZ-OD2 2.99Å; D270-I302 VanDerWaalsContact CA-O 3.27Å; D270-I302 WeakPolarHBondContact CA-O 3.36Å; D270-I302 HydrophobicContact CB-CB 4.11Å; D270-I302 WeakPolarHBondContact CB-O 3.47Å; D270-V306 VanDerWaalsContact C-CG2 3.41Å
271G93.7Very high94.2Very high8 Ų837.4 Ų37.48%0.08222%0.22CC..SBendtrans-145.6-175.9-171.500000115T269 D305T269-G271 PolarHBondContact OG1-N 3.37Å; T269-G271 PolarHBondContact OG1-O 2.82Å; G271-D305 CarbonylContact C-O 3.41Å
272R96.3Very high95Very high153 Ų15338.5 Ų38.558%0.57723%0.227SC*.  trans-92.7157.4174.7-56.6-165.9-179-157.5-1110.4T235 T274 D305 D307T235-R272 WeakPolarHBondContact CB-O 3.35Å; R272-T274 PolarHBondContact O-N 3.41Å; R272-D305 VanDerWaalsContact CG-O 3.22Å; R272-D305 WeakPolarHBondContact CG-O 3.3Å; R272-D307 HydrophobicContact CG-CB 4.25Å
273P96.7Very high95.4Very high15 Ų1538.3 Ų38.310%0.09723%0.227CC..  trans-63130.4171.928.9-34.9000110.3T235 I237 I283 L310T235-P273 WeakPolarHBondContact O-CA 3.47Å; I237-P273 HydrophobicContact CB-CB 4.26Å; I237-P273 HydrophobicContact CD1-CB 4.1Å; I237-P273 HydrophobicContact CD1-CG 4.42Å; I237-P273 HydrophobicContact CG1-CB 4.07Å; P273-I283 HydrophobicContact CB-CD1 3.89Å; P273-I283 HydrophobicContact CG-CD1 3.78Å; P273-L310 HydrophobicContact CG-CD2 4.21Å
274T96.6Very high95.6Very high81 Ų8138.7 Ų38.750%0.49723%0.228SC..  trans-129.7-15.2-178.749.90000113.5T235 R272T235-T274 PolarHBondContact N-OG1 3.41Å; T235-T274 PolarHBondContact O-N 2.84Å; R272-T274 PolarHBondContact O-N 3.41Å
275I96.9Very high95.5Very high62 Ų6239.5 Ų39.532%0.31824%0.237SC..SBendtrans-128.6142.6-178.8-59.3-66.6000108.8N201 T235 N236N201-I275 WeakPolarHBondContact OD1-CG1 3.45Å; T235-I275 PolarHBondContact O-N 2.74Å; N236-I275 WeakPolarHBondContact CA-O 3.13Å; N236-I275 HydrophobicContact CB-CB 4.03Å; N236-I275 HydrophobicContact CB-CG2 4.07Å; N236-I275 PolarHBondContact OD1-O 2.93Å
276G95.4Very high95.4Very high57 Ų5742.3 Ų42.359%0.58825%0.252SS*.SBendtrans77.2-139.7-176.900000111.4
277E97.1Very high95.4Very high61 Ų6141.9 Ų41.929%0.28525%0.249SC..  trans-72.1129.7171.9-179.957-88.900110D238 Q279 S282 I283D238-E277 HydrophobicContact CB-CB 3.88Å; E277-Q279 WeakPolarHBondContact OE1-CB 3.37Å; E277-Q279 PolarHBondContact OE1-N 3.17Å; E277-S282 VanDerWaalsContact CD-CB 3.42Å; E277-S282 VanDerWaalsContact OE2-CB 3.23Å; E277-S282 WeakPolarHBondContact OE2-CB 3.24Å; E277-S282 PolarHBondContact OE2-OG 3.2Å; E277-I283 HydrophobicContact CB-CG1 4.4Å; E277-I283 HydrophobicContact CG-CG1 3.81Å
278T95.9Very high95Very high56 Ų5646 Ų4634%0.34427%0.265SS..  trans-119.5-14.1-175.155.60000112.6S280T278-S280 PolarHBondContact O-N 3.16Å
279Q95.6Very high94.8Very high124 Ų12449.3 Ų49.358%0.57929%0.288SS*.  trans-77.3112.4178-64.2-59.3-43.800110.5E277 A281 S282 I283E277-Q279 WeakPolarHBondContact OE1-CB 3.37Å; E277-Q279 PolarHBondContact OE1-N 3.17Å; Q279-A281 PolarHBondContact O-N 3.41Å; Q279-S282 WeakPolarHBondContact O-CB 3.45Å; Q279-S282 PolarHBondContact O-N 3.13Å; Q279-I283 WeakPolarHBondContact O-CG1 3.44Å; Q279-I283 PolarHBondContact O-N 3.41Å
280S93.4Very high94.7Very high35 Ų3549.5 Ų49.525%0.24529%0.29CS..Hα-helixtrans-52.2-37.1-176.9-50.20000113T278 I283 L284 D307T278-S280 PolarHBondContact O-N 3.16Å; S280-I283 PolarHBondContact O-N 2.86Å; S280-L284 WeakPolarHBondContact O-CG 2.98Å; S280-L284 PolarHBondContact O-N 3.42Å; S280-D307 PolarHBondContact OG-OD2 3.32Å
281A90.6Very high94.6Very high82 Ų8249.5 Ų49.568%0.67829%0.29SS*.Hα-helixtrans-65.4-42177.200000113.3Q279 G285Q279-A281 PolarHBondContact O-N 3.41Å; A281-G285 PolarHBondContact O-N 3.4Å; A281-G285 VanDerWaalsContact O-N 3.08Å
282S94.8Very high94.3Very high46 Ų4654.4 Ų54.432%0.32231%0.311SS..Hα-helixtrans-65.7-44.9175.7-58.90000110.9E277 Q279 L284 G285 N286E277-S282 VanDerWaalsContact CD-CB 3.42Å; E277-S282 VanDerWaalsContact OE2-CB 3.23Å; E277-S282 WeakPolarHBondContact OE2-CB 3.24Å; E277-S282 PolarHBondContact OE2-OG 3.2Å; Q279-S282 WeakPolarHBondContact O-CB 3.45Å; Q279-S282 PolarHBondContact O-N 3.13Å; S282-L284 VanDerWaalsContact C-N 3.32Å; S282-L284 PolarHBondContact O-N 3.28Å; S282-G285 PolarHBondContact O-N 2.9Å; S282-G285 VanDerWaalsContact O-N 3.15Å; S282-N286 WeakPolarHBondContact O-CB 3.47Å; S282-N286 PolarHBondContact O-N 3.21Å; S282-N286 PolarHBondContact O-OD1 2.99Å
283I96.5Very high93.8Very high0 Ų055.4 Ų55.40%032%0.322CS..Hα-helixtrans-58.3-45.1178.4-59.2176.5000110.8I237 D238 P273 E277 Q279 S280 N286 T287 L310 M314I237-I283 HydrophobicContact CG2-CG2 4.27Å; D238-I283 HydrophobicContact CB-CG1 4.16Å; D238-I283 HydrophobicContact CB-CG2 4.5Å; P273-I283 HydrophobicContact CB-CD1 3.89Å; P273-I283 HydrophobicContact CG-CD1 3.78Å; E277-I283 HydrophobicContact CB-CG1 4.4Å; E277-I283 HydrophobicContact CG-CG1 3.81Å; Q279-I283 WeakPolarHBondContact O-CG1 3.44Å; Q279-I283 PolarHBondContact O-N 3.41Å; S280-I283 PolarHBondContact O-N 2.86Å; I283-N286 PolarHBondContact O-N 3.03Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.2Å; I283-T287 PolarHBondContact O-N 3.02Å; I283-T287 PolarHBondContact O-OG1 3.09Å; I283-L310 HydrophobicContact CB-CD1 4.19Å; I283-L310 HydrophobicContact CD1-CD2 4.02Å; I283-L310 HydrophobicContact CG2-CD1 4.11Å; I283-M314 HydrophobicContact CG2-CE 3.86Å
284L93.6Very high93.3Very high17 Ų1759.5 Ų59.59%0.08934%0.338CS..Hα-helixtrans-62.5-45.2176.6-69.6168.3000111.6S280 S282 T287 R288 L310 L313 M314S280-L284 WeakPolarHBondContact O-CG 2.98Å; S280-L284 PolarHBondContact O-N 3.42Å; S282-L284 VanDerWaalsContact C-N 3.32Å; S282-L284 PolarHBondContact O-N 3.28Å; L284-T287 PolarHBondContact O-N 2.91Å; L284-R288 WeakPolarHBondContact O-CB 3.34Å; L284-R288 PolarHBondContact O-N 3.06Å; L284-L310 HydrophobicContact CD1-CD1 4.43Å; L284-L310 HydrophobicContact CD2-CD1 3.97Å; L284-L310 HydrophobicContact CG-CD1 3.84Å; L284-L313 HydrophobicContact CD1-CB 3.77Å; L284-L313 HydrophobicContact CD1-CD1 3.75Å; L284-L313 HydrophobicContact CD1-CG 4.42Å; L284-L313 HydrophobicContact CD2-CB 3.74Å; L284-L313 HydrophobicContact CG-CB 4.44Å; L284-M314 HydrophobicContact CD2-CB 3.84Å; L284-M314 VanDerWaalsContact CD2-N 3.32Å
285G92.1Very high93Very high19 Ų1955.7 Ų55.720%0.19632%0.315CS..Hα-helixtrans-60.8-44.8176.500000113.4A281 S282 S289A281-G285 PolarHBondContact O-N 3.4Å; A281-G285 VanDerWaalsContact O-N 3.08Å; S282-G285 PolarHBondContact O-N 2.9Å; S282-G285 VanDerWaalsContact O-N 3.15Å; G285-S289 PolarHBondContact O-N 2.97Å; G285-S289 VanDerWaalsContact O-N 3.14Å; G285-S289 PolarHBondContact O-OG 2.86Å
286N95.7Very high92.8Very high59 Ų5952.8 Ų52.832%0.31630%0.3SS..Hα-helixtrans-64.1-45.8176.1-68.5-8.9000110.9D238 Q242 S282 I283 R288 S289 A290D238-N286 VanDerWaalsContact OD1-CB 3.31Å; D238-N286 WeakPolarHBondContact OD1-CB 3.08Å; D238-N286 PolarHBondContact OD1-ND2 2.87Å; D238-N286 PolarHBondContact OD2-ND2 3.36Å; Q242-N286 PolarHBondContact NE2-O 3.43Å; S282-N286 WeakPolarHBondContact O-CB 3.47Å; S282-N286 PolarHBondContact O-N 3.21Å; S282-N286 PolarHBondContact O-OD1 2.99Å; I283-N286 PolarHBondContact O-N 3.03Å; N286-R288 PolarHBondContact O-N 2.81Å; N286-S289 PolarHBondContact O-N 3.25Å; N286-A290 WeakPolarHBondContact O-CB 2.99Å; N286-A290 PolarHBondContact O-N 3.27Å
287T95.6Very high92.9Very high0 Ų050.1 Ų50.10%027%0.272CS..Hα-helixtrans-58.2-50.6178.9-60.40000110.6I241 I283 L284 S289 A290 V291 I297 M314I241-T287 HydrophobicContact CG2-CG2 3.64Å; I241-T287 WeakPolarHBondContact CG2-OG1 3.41Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.2Å; I283-T287 PolarHBondContact O-N 3.02Å; I283-T287 PolarHBondContact O-OG1 3.09Å; L284-T287 PolarHBondContact O-N 2.91Å; T287-S289 VanDerWaalsContact C-N 3.27Å; T287-S289 PolarHBondContact O-N 2.86Å; T287-A290 PolarHBondContact O-N 3.27Å; T287-V291 HydrophobicContact CG2-CG2 4.06Å; T287-V291 VanDerWaalsContact O-CG2 3.25Å; T287-V291 WeakPolarHBondContact O-CG2 3.26Å; T287-V291 PolarHBondContact O-N 3.5Å; T287-I297 HydrophobicContact CG2-CD1 3.44Å; T287-I297 VanDerWaalsContact CG2-CD1 3.44Å; T287-M314 HydrophobicContact CG2-CG 4.01Å
288R90.9Very high92.9Very high87 Ų8747.4 Ų47.433%0.32826%0.259SS..Hα-helixtrans-56.8-43.2177.7-174.7-17769.5-132.4-0.1112.1L284 N286 A290 V291 Q292L284-R288 WeakPolarHBondContact O-CB 3.34Å; L284-R288 PolarHBondContact O-N 3.06Å; N286-R288 PolarHBondContact O-N 2.81Å; R288-A290 VanDerWaalsContact C-N 3.26Å; R288-A290 PolarHBondContact O-N 3.39Å; R288-V291 PolarHBondContact O-N 2.87Å; R288-Q292 PolarHBondContact O-N 2.82Å
289S92.7Very high92.9Very high72 Ų7244.7 Ų44.750%0.50324%0.243SC..Hα-helixtrans-67-29.2180-54.40000112.6G285 N286 T287 Q292G285-S289 PolarHBondContact O-N 2.97Å; G285-S289 VanDerWaalsContact O-N 3.14Å; G285-S289 PolarHBondContact O-OG 2.86Å; N286-S289 PolarHBondContact O-N 3.25Å; T287-S289 VanDerWaalsContact C-N 3.27Å; T287-S289 PolarHBondContact O-N 2.86Å; S289-Q292 WeakPolarHBondContact O-CG 3.48Å; S289-Q292 PolarHBondContact O-NE2 2.66Å; S289-Q292 VanDerWaalsContact O-NE2 3.16Å
290A93.6Very high92.9Very high4 Ų439 Ų393%0.03322%0.216CC..Hα-helixtrans-81.5-36.7177.800000113.1N286 T287 R288N286-A290 WeakPolarHBondContact O-CB 2.99Å; N286-A290 PolarHBondContact O-N 3.27Å; T287-A290 PolarHBondContact O-N 3.27Å; R288-A290 VanDerWaalsContact C-N 3.26Å; R288-A290 PolarHBondContact O-N 3.39Å
291V92.2Very high93Very high1 Ų137.3 Ų37.31%0.00621%0.205CC..Hα-helixtrans-78.4-42.3-1781780000112.2T287 R288 E293 K294 F295 I297 N318T287-V291 HydrophobicContact CG2-CG2 4.06Å; T287-V291 VanDerWaalsContact O-CG2 3.25Å; T287-V291 WeakPolarHBondContact O-CG2 3.26Å; T287-V291 PolarHBondContact O-N 3.5Å; R288-V291 PolarHBondContact O-N 2.87Å; V291-E293 PolarHBondContact O-N 3.22Å; V291-E293 VanDerWaalsContact O-N 3.16Å; V291-K294 WeakPolarHBondContact O-CB 3.38Å; V291-K294 PolarHBondContact O-N 2.93Å; V291-F295 HydrophobicContact CB-CE2 4.12Å; V291-F295 HydrophobicContact CB-CZ 4.2Å; V291-F295 HydrophobicContact CG1-CD2 3.95Å; V291-F295 HydrophobicContact CG1-CE2 3.9Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 4.21Å; V291-F295 WeakPolarHBondContact CG1-O 3.18Å; V291-F295 HydrophobicContact CG2-CD2 4.4Å; V291-F295 HydrophobicContact CG2-CE2 3.68Å; V291-F295 HydrophobicContact CG2-CZ 4.08Å; V291-I297 HydrophobicContact CG2-CD1 3.5Å; V291-I297 HydrophobicContact CG2-CG1 4.15Å; V291-N318 WeakPolarHBondContact CB-OD1 3.48Å; V291-N318 HydrophobicContact CG1-CB 4.36Å; V291-N318 WeakPolarHBondContact CG1-OD1 3.48Å; V291-N318 WeakPolarHBondContact CG2-OD1 3.42Å
292Q88.1Confident93.2Very high112 Ų11233.5 Ų33.552%0.52317%0.173SC..THydrogen-bonded Turntrans51.736.6179.8-54.1-179.8-4.200113.7R288 S289 K294R288-Q292 PolarHBondContact O-N 2.82Å; S289-Q292 WeakPolarHBondContact O-CG 3.48Å; S289-Q292 PolarHBondContact O-NE2 2.66Å; S289-Q292 VanDerWaalsContact O-NE2 3.16Å; Q292-K294 HydrophobicContact CB-CG 4.48Å; Q292-K294 PolarHBondContact O-N 2.74Å
293E85.4Confident93Very high173 Ų17331.3 Ų31.381%0.80816%0.157SC*.THydrogen-bonded Turntrans60.614-179.3-56.2176.4-171.700114.8V291V291-E293 PolarHBondContact O-N 3.22Å; V291-E293 VanDerWaalsContact O-N 3.16Å
294K86.1Confident92.6Very high101 Ų10137.3 Ų37.344%0.43919%0.19SC..SBendtrans-81.9-22.5-177.2-65.5-171.1175.9-171.90114.6L252 V291 Q292L252-K294 HydrophobicContact CD1-CB 4.35Å; V291-K294 WeakPolarHBondContact O-CB 3.38Å; V291-K294 PolarHBondContact O-N 2.93Å; Q292-K294 HydrophobicContact CB-CG 4.48Å; Q292-K294 PolarHBondContact O-N 2.74Å
295F90.5Very high92.4Very high2 Ų241.7 Ų41.71%0.00921%0.213CC..SBendtrans-154.9162.5-17748.2-95.2000111.3L248 L252 S263 I265 V291L248-F295 HydrophobicContact CB-CD1 4.11Å; L248-F295 HydrophobicContact CB-CE1 3.93Å; L248-F295 HydrophobicContact CB-CZ 4.24Å; L248-F295 HydrophobicContact CD1-CB 4.49Å; L248-F295 HydrophobicContact CD1-CD1 4.35Å; L248-F295 HydrophobicContact CD1-CD2 3.86Å; L248-F295 HydrophobicContact CD1-CE2 4.12Å; L248-F295 HydrophobicContact CD1-CG 3.99Å; L248-F295 HydrophobicContact CD1-CZ 4.5Å; L252-F295 HydrophobicContact CD1-CD1 4.01Å; S263-F295 WeakPolarHBondContact O-CA 3.15Å; S263-F295 WeakPolarHBondContact O-CB 3.48Å; I265-F295 HydrophobicContact CD1-CD2 4.19Å; I265-F295 HydrophobicContact CD1-CE2 3.62Å; I265-F295 HydrophobicContact CG1-CD2 4.18Å; I265-F295 HydrophobicContact CG1-CE2 4.11Å; V291-F295 HydrophobicContact CB-CE2 4.12Å; V291-F295 HydrophobicContact CB-CZ 4.2Å; V291-F295 HydrophobicContact CG1-CD2 3.95Å; V291-F295 HydrophobicContact CG1-CE2 3.9Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 4.21Å; V291-F295 WeakPolarHBondContact CG1-O 3.18Å; V291-F295 HydrophobicContact CG2-CD2 4.4Å; V291-F295 HydrophobicContact CG2-CE2 3.68Å; V291-F295 HydrophobicContact CG2-CZ 4.08Å
296C93.6Very high92.5Very high1 Ų141 Ų411%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-95.3147.7-179.2-56.60000113.3S263 L264 I265 F298 N318 C319 N369S263-C296 PolarHBondContact O-N 2.78Å; L264-C296 CarbonylContact C-O 3.51Å; L264-C296 VanDerWaalsContact CA-O 3.26Å; L264-C296 WeakPolarHBondContact CA-O 3.47Å; I265-C296 PolarHBondContact N-O 3.01Å; C296-F298 HydrophobicContact CB-CD2 4.49Å; C296-F298 HydrophobicContact CB-CE2 3.88Å; C296-F298 HydrophobicContact CB-CZ 4.34Å; C296-N318 CarbonylContact C-O 3.54Å; C296-N318 WeakPolarHBondContact CA-O 3.48Å; C296-N318 WeakPolarHBondContact CB-O 3.39Å; C296-C319 WeakPolarHBondContact CA-SG 3.45Å; C296-C319 HydrophobicContact CB-CB 4.18Å; C296-C319 WeakPolarHBondContact CB-SG 3.49Å; C296-C319 WeakPolarHBondContact SG-CB 3.39Å; C296-C319 CovalentContact SG-SG 2.04Å; C296-C319 PolarHBondContact SG-SG 2.93Å; C296-N369 PolarHBondContact SG-ND2 2.92Å
297I96.3Very high92.4Very high0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-111.3117.5172.1-57.1-177.4000109.5I241 I265 F267 T287 V291 T299 M314 A315 N318 G320I241-I297 HydrophobicContact CG2-CD1 4.35Å; I265-I297 HydrophobicContact CB-CG1 4.23Å; I265-I297 HydrophobicContact CB-CG2 4.47Å; I265-I297 HydrophobicContact CD1-CG1 4.43Å; I265-I297 HydrophobicContact CG2-CG2 4.45Å; F267-I297 HydrophobicContact CB-CG2 4.47Å; T287-I297 HydrophobicContact CG2-CD1 3.44Å; T287-I297 VanDerWaalsContact CG2-CD1 3.44Å; V291-I297 HydrophobicContact CG2-CD1 3.5Å; V291-I297 HydrophobicContact CG2-CG1 4.15Å; I297-T299 HydrophobicContact CG2-CG2 4.01Å; I297-M314 HydrophobicContact CG2-CG 4.32Å; I297-M314 HydrophobicContact CG2-SD 4.26Å; I297-A315 VanDerWaalsContact O-CA 3.29Å; I297-A315 WeakPolarHBondContact O-CA 3.37Å; I297-A315 WeakPolarHBondContact O-CB 3.36Å; I297-N318 HydrophobicContact CB-CB 4.07Å; I297-N318 HydrophobicContact CD1-CB 4.26Å; I297-N318 HydrophobicContact CG1-CB 3.96Å; I297-N318 PolarHBondContact N-O 2.93Å; I297-G320 WeakPolarHBondContact O-CA 3.08Å
298F96.6Very high92.4Very high4 Ų441 Ų412%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-100.2126.9171.2-67-82000109.5L264 I265 I266 F267 C296 M321 F338 I342 F371L264-F298 HydrophobicContact CB-CD2 4.15Å; L264-F298 HydrophobicContact CB-CE2 4.03Å; L264-F298 HydrophobicContact CD1-CD2 4.39Å; L264-F298 HydrophobicContact CD2-CE2 4.4Å; I265-F298 PolarHBondContact O-N 3.28Å; I266-F298 WeakPolarHBondContact CA-O 3.05Å; F267-F298 PolarHBondContact N-O 2.9Å; C296-F298 HydrophobicContact CB-CD2 4.49Å; C296-F298 HydrophobicContact CB-CE2 3.88Å; C296-F298 HydrophobicContact CB-CZ 4.34Å; F298-M321 HydrophobicContact CD1-CG 3.92Å; F298-M321 HydrophobicContact CE1-CE 4.44Å; F298-M321 HydrophobicContact CE1-CG 4.12Å; F298-F338 HydrophobicContact CB-CE1 4.06Å; F298-F338 HydrophobicContact CB-CZ 3.77Å; F298-F338 AromaticContact CD1-CZ 3.78Å; F298-F338 HydrophobicContact CD1-CZ 3.78Å; F298-F338 HydrophobicContact CG-CZ 4.03Å; F298-I342 HydrophobicContact CB-CD1 4.42Å; F298-I342 HydrophobicContact CD1-CD1 4.33Å; F298-I342 HydrophobicContact CD1-CG2 4.45Å; F298-I342 HydrophobicContact CD2-CD1 3.96Å; F298-I342 HydrophobicContact CE1-CG2 4Å; F298-I342 HydrophobicContact CE2-CD1 4.31Å; F298-I342 HydrophobicContact CG-CD1 3.97Å; F298-I342 HydrophobicContact CZ-CG2 4.2Å; F298-F371 HydrophobicContact CE2-CZ 4.42Å; F298-F371 HydrophobicContact CZ-CE2 4.07Å; F298-F371 AromaticContact CZ-CZ 4Å; F298-F371 HydrophobicContact CZ-CZ 4Å
299T97.1Very high92.4Very high0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-110.3142.1-177.556.80000111.2F267 I297 L311 M314 A315 M321 T322 R323F267-T299 HydrophobicContact CB-CG2 4.26Å; F267-T299 HydrophobicContact CD1-CG2 4.23Å; F267-T299 CarbonylContact O-C 3.57Å; F267-T299 WeakPolarHBondContact O-CA 3.42Å; I297-T299 HydrophobicContact CG2-CG2 4.01Å; T299-L311 HydrophobicContact CG2-CB 4.38Å; T299-L311 HydrophobicContact CG2-CD2 4.25Å; T299-L311 PolarHBondContact OG1-O 3.38Å; T299-M314 HydrophobicContact CG2-CB 4.43Å; T299-M314 HydrophobicContact CG2-CG 4.39Å; T299-M314 HydrophobicContact CG2-SD 3.98Å; T299-A315 HydrophobicContact CG2-CB 4.19Å; T299-M321 PolarHBondContact N-O 2.82Å; T299-M321 VanDerWaalsContact N-O 3.15Å; T299-T322 CarbonylContact O-C 3.52Å; T299-T322 VanDerWaalsContact O-CA 3.24Å; T299-T322 WeakPolarHBondContact O-CA 3.14Å; T299-T322 WeakPolarHBondContact OG1-CB 3.27Å; T299-T322 WeakPolarHBondContact OG1-CG2 3.42Å; T299-T322 PolarHBondContact OG1-OG1 3.08Å; T299-R323 PolarHBondContact O-N 3.04Å
300I96.3Very high92.5Very high4 Ų439.6 Ų39.62%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-130.3114.3179-50.6178.5000108.2I266 F267 L268 T269 R323 I325 L335 F338I266-I300 HydrophobicContact CG2-CD1 3.79Å; I266-I300 HydrophobicContact CG2-CG1 4.48Å; F267-I300 PolarHBondContact O-N 2.86Å; L268-I300 WeakPolarHBondContact CA-O 3.36Å; L268-I300 HydrophobicContact CB-CB 4.47Å; L268-I300 HydrophobicContact CG-CB 4.46Å; T269-I300 PolarHBondContact N-O 3.09Å; I300-R323 WeakPolarHBondContact CA-O 3.42Å; I300-R323 HydrophobicContact CG1-CB 4.41Å; I300-R323 HydrophobicContact CG2-CB 4.39Å; I300-I325 HydrophobicContact CG2-CD1 3.55Å; I300-I325 HydrophobicContact CG2-CG1 4.09Å; I300-L335 HydrophobicContact CB-CD2 4.46Å; I300-L335 HydrophobicContact CD1-CD2 3.49Å; I300-L335 VanDerWaalsContact CD1-CD2 3.49Å; I300-L335 HydrophobicContact CG2-CD2 3.75Å; I300-F338 HydrophobicContact CD1-CD1 3.48Å; I300-F338 VanDerWaalsContact CD1-CD1 3.48Å; I300-F338 HydrophobicContact CD1-CE1 3.78Å; I300-F338 HydrophobicContact CD1-CG 4.34Å; I300-F338 HydrophobicContact CG1-CD1 4.11Å; I300-F338 HydrophobicContact CG1-CE1 4.06Å
301G95.6Very high92.6Very high0 Ų039.5 Ų39.50%019%0.186CC..EExtended strand (participates in β ladder)trans-98.4128.3174.600000110.8T269 Y308 R323 I325T269-G301 WeakPolarHBondContact O-CA 3.46Å; G301-Y308 PolarHBondContact O-OH 3.48Å; G301-R323 PolarHBondContact N-O 3.25Å; G301-I325 PolarHBondContact O-N 2.68Å
302I93.8Very high92.7Very high1 Ų142.7 Ų42.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-106.5121.5174-55.3179.4000109.4K173 L268 T269 D270 V306 I325K173-I302 HydrophobicContact CD-CG2 3.84Å; K173-I302 HydrophobicContact CG-CG2 4Å; L268-I302 HydrophobicContact CD1-CD1 4.19Å; L268-I302 HydrophobicContact CD2-CD1 3.83Å; L268-I302 HydrophobicContact CG-CD1 4.12Å; T269-I302 PolarHBondContact O-N 3.09Å; D270-I302 VanDerWaalsContact CA-O 3.27Å; D270-I302 WeakPolarHBondContact CA-O 3.36Å; D270-I302 HydrophobicContact CB-CB 4.11Å; D270-I302 WeakPolarHBondContact CB-O 3.47Å; I302-V306 WeakPolarHBondContact O-CG2 3.49Å; I302-I325 WeakPolarHBondContact CA-O 3.48Å; I302-I325 HydrophobicContact CG1-CB 4.42Å
303G89.8Confident92.9Very high0 Ų038.2 Ų38.20%018%0.18CC..SBendtrans81-168.4177.100000114.5Y308 I325G303-Y308 VanDerWaalsContact O-CE2 3.28Å; G303-Y308 WeakPolarHBondContact O-CE2 3.12Å; G303-Y308 VanDerWaalsContact O-CZ 3.31Å; G303-Y308 PolarHBondContact O-OH 3.15Å; G303-I325 PolarHBondContact N-O 2.7Å
304N88.1Confident93.3Very high127 Ų12730 Ų3068%0.67914%0.142SC*.SBendtrans-100.5-11-170.4-65-35.4000113.5V306N304-V306 PolarHBondContact O-N 2.87Å
305D90.3Very high93.7Very high109 Ų10925.2 Ų25.258%0.58312%0.121SC*.SBendtrans-83.25.5-178-63.6-36.3000113.3G271 R272G271-D305 CarbonylContact C-O 3.41Å; R272-D305 VanDerWaalsContact CG-O 3.22Å; R272-D305 WeakPolarHBondContact CG-O 3.3Å
306V94.4Very high93.7Very high5 Ų526.4 Ų26.43%0.0313%0.128CC..SBendtrans-82.7141.3179.2-179.80000111.3T269 D270 I302 N304 Y308 L311T269-V306 HydrophobicContact CG2-CG1 4.3Å; D270-V306 VanDerWaalsContact C-CG2 3.41Å; I302-V306 WeakPolarHBondContact O-CG2 3.49Å; N304-V306 PolarHBondContact O-N 2.87Å; V306-Y308 VanDerWaalsContact C-N 3.28Å; V306-Y308 HydrophobicContact CB-CD2 4.18Å; V306-Y308 HydrophobicContact CB-CE1 4.41Å; V306-Y308 HydrophobicContact CB-CE2 3.92Å; V306-Y308 HydrophobicContact CG1-CD1 4.28Å; V306-Y308 HydrophobicContact CG1-CE1 4.28Å; V306-Y308 HydrophobicContact CG1-CG 4.39Å; V306-Y308 PolarHBondContact O-N 2.73Å; V306-L311 HydrophobicContact CG1-CD1 3.36Å; V306-L311 HydrophobicContact CG1-CG 3.95Å
307D94.4Very high93.5Very high32 Ų3228.6 Ų28.617%0.17114%0.138CC..  trans-76.881.5163.4-173.7-8.2000109.9R272 S280 R309 L310 L311R272-D307 HydrophobicContact CG-CB 4.25Å; S280-D307 PolarHBondContact OG-OD2 3.32Å; D307-R309 PolarHBondContact O-N 2.89Å; D307-R309 WeakPolarHBondContact OD1-CB 3.31Å; D307-R309 PolarHBondContact OD1-N 3.43Å; D307-R309 VanDerWaalsContact OD1-N 3.12Å; D307-L310 HydrophobicContact CB-CB 4Å; D307-L310 VanDerWaalsContact CG-CB 3.47Å; D307-L310 WeakPolarHBondContact O-CB 3.38Å; D307-L310 PolarHBondContact O-N 3.5Å; D307-L310 PolarHBondContact OD1-N 3.42Å; D307-L310 WeakPolarHBondContact OD2-CB 3.45Å; D307-L311 PolarHBondContact O-N 2.87Å; D307-L311 VanDerWaalsContact O-N 3.11Å
308Y93.8Very high93.3Very high27 Ų2728.9 Ų28.911%0.10614%0.139CC..Hα-helixtrans-60.2-27.6178.9-77.9-69.9000113G301 G303 V306 L311 E312 R324G301-Y308 PolarHBondContact O-OH 3.48Å; G303-Y308 VanDerWaalsContact O-CE2 3.28Å; G303-Y308 WeakPolarHBondContact O-CE2 3.12Å; G303-Y308 VanDerWaalsContact O-CZ 3.31Å; G303-Y308 PolarHBondContact O-OH 3.15Å; V306-Y308 VanDerWaalsContact C-N 3.28Å; V306-Y308 HydrophobicContact CB-CD2 4.18Å; V306-Y308 HydrophobicContact CB-CE1 4.41Å; V306-Y308 HydrophobicContact CB-CE2 3.92Å; V306-Y308 HydrophobicContact CG1-CD1 4.28Å; V306-Y308 HydrophobicContact CG1-CE1 4.28Å; V306-Y308 HydrophobicContact CG1-CG 4.39Å; V306-Y308 PolarHBondContact O-N 2.73Å; Y308-L311 PolarHBondContact O-N 2.71Å; Y308-E312 VanDerWaalsContact O-CB 3.25Å; Y308-E312 WeakPolarHBondContact O-CB 3.4Å; Y308-E312 WeakPolarHBondContact O-CG 3.36Å; Y308-E312 PolarHBondContact O-N 3.02Å; Y308-R324 HydrophobicContact CD1-CG 3.67Å; Y308-R324 HydrophobicContact CE1-CB 3.73Å; Y308-R324 HydrophobicContact CE1-CG 3.34Å
309R91.5Very high93Very high126 Ų12631 Ų3148%0.47515%0.154SC..Hα-helixtrans-68-44.2178.6179.456169.5-169.9-4.5110.7D307 L313D307-R309 PolarHBondContact O-N 2.89Å; D307-R309 WeakPolarHBondContact OD1-CB 3.31Å; D307-R309 PolarHBondContact OD1-N 3.43Å; D307-R309 VanDerWaalsContact OD1-N 3.12Å; R309-L313 HydrophobicContact CG-CD1 4.26Å; R309-L313 WeakPolarHBondContact O-CB 3.24Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.32Å; R309-L313 PolarHBondContact O-N 3.14Å; R309-L313 VanDerWaalsContact O-N 3.13Å
310L94.9Very high92.7Very high2 Ų231.8 Ų31.81%0.0116%0.162CC..Hα-helixtrans-59.5-49.5172.2171.859.5000111.1I237 P273 I283 L284 D307 E312 L313 M314I237-L310 HydrophobicContact CD1-CD2 4.39Å; P273-L310 HydrophobicContact CG-CD2 4.21Å; I283-L310 HydrophobicContact CB-CD1 4.19Å; I283-L310 HydrophobicContact CD1-CD2 4.02Å; I283-L310 HydrophobicContact CG2-CD1 4.11Å; L284-L310 HydrophobicContact CD1-CD1 4.43Å; L284-L310 HydrophobicContact CD2-CD1 3.97Å; L284-L310 HydrophobicContact CG-CD1 3.84Å; D307-L310 HydrophobicContact CB-CB 4Å; D307-L310 VanDerWaalsContact CG-CB 3.47Å; D307-L310 WeakPolarHBondContact O-CB 3.38Å; D307-L310 PolarHBondContact O-N 3.5Å; D307-L310 PolarHBondContact OD1-N 3.42Å; D307-L310 WeakPolarHBondContact OD2-CB 3.45Å; L310-E312 PolarHBondContact O-N 2.92Å; L310-L313 PolarHBondContact O-N 2.74Å; L310-M314 HydrophobicContact CD1-CE 4.27Å; L310-M314 HydrophobicContact CG-CE 4.48Å; L310-M314 VanDerWaalsContact O-CB 3.26Å; L310-M314 WeakPolarHBondContact O-CB 3.26Å; L310-M314 PolarHBondContact O-N 3.09Å
311L96.3Very high92.4Very high2 Ų235.4 Ų35.41%0.0118%0.18CC..Hα-helixtrans-64.1-40.2-177.5-65.5-164.2000113.5F267 T269 T299 V306 D307 Y308 M314 A315 T322F267-L311 HydrophobicContact CD1-CD2 4Å; F267-L311 HydrophobicContact CE1-CD2 3.78Å; T269-L311 HydrophobicContact CG2-CD1 3.83Å; T269-L311 HydrophobicContact CG2-CD2 4.09Å; T269-L311 HydrophobicContact CG2-CG 4.48Å; T299-L311 HydrophobicContact CG2-CB 4.38Å; T299-L311 HydrophobicContact CG2-CD2 4.25Å; T299-L311 PolarHBondContact OG1-O 3.38Å; V306-L311 HydrophobicContact CG1-CD1 3.36Å; V306-L311 HydrophobicContact CG1-CG 3.95Å; D307-L311 PolarHBondContact O-N 2.87Å; D307-L311 VanDerWaalsContact O-N 3.11Å; Y308-L311 PolarHBondContact O-N 2.71Å; L311-M314 PolarHBondContact O-N 3.3Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.92Å; L311-T322 HydrophobicContact CB-CG2 4.08Å; L311-T322 PolarHBondContact O-OG1 3.15Å; L311-T322 VanDerWaalsContact O-OG1 3.09Å
312E93.2Very high92.3Very high68 Ų6837 Ų3732%0.31819%0.189SC..Hα-helixtrans-66.6-43.7178.3-76.9171.7-178.200111.9Y308 L310 L316 T322 R324Y308-E312 VanDerWaalsContact O-CB 3.25Å; Y308-E312 WeakPolarHBondContact O-CB 3.4Å; Y308-E312 WeakPolarHBondContact O-CG 3.36Å; Y308-E312 PolarHBondContact O-N 3.02Å; L310-E312 PolarHBondContact O-N 2.92Å; E312-L316 WeakPolarHBondContact O-CB 3.39Å; E312-L316 PolarHBondContact O-N 3.41Å; E312-T322 WeakPolarHBondContact CA-OG1 3.48Å; E312-T322 HydrophobicContact CG-CG2 4.12Å; E312-T322 PolarHBondContact N-OG1 3.37Å; E312-R324 IonicContact OE1-CZ 3.67Å; E312-R324 VanDerWaalsContact OE1-CZ 3.31Å; E312-R324 IonicContact OE1-NE 3.42Å; E312-R324 PolarHBondContact OE1-NE 3.31Å; E312-R324 VanDerWaalsContact OE1-NE 3.14Å; E312-R324 IonicContact OE1-NH2 3.82Å; E312-R324 PolarHBondContact OE1-NH2 2.84Å; E312-R324 IonicContact OE2-NH2 3.11Å
313L92.1Very high92.3Very high19 Ų1939.8 Ų39.810%0.09920%0.2CC..Hα-helixtrans-66.4-42.6175.4-70.1175.3000111.4L284 R309 L310 A315 L316 E317 L466L284-L313 HydrophobicContact CD1-CB 3.77Å; L284-L313 HydrophobicContact CD1-CD1 3.75Å; L284-L313 HydrophobicContact CD1-CG 4.42Å; L284-L313 HydrophobicContact CD2-CB 3.74Å; L284-L313 HydrophobicContact CG-CB 4.44Å; R309-L313 HydrophobicContact CG-CD1 4.26Å; R309-L313 WeakPolarHBondContact O-CB 3.24Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.32Å; R309-L313 PolarHBondContact O-N 3.14Å; R309-L313 VanDerWaalsContact O-N 3.13Å; L310-L313 PolarHBondContact O-N 2.74Å; L313-A315 PolarHBondContact O-N 2.68Å; L313-L316 PolarHBondContact O-N 2.91Å; L313-E317 WeakPolarHBondContact O-CB 3.22Å; L313-E317 WeakPolarHBondContact O-CG 3.47Å; L313-E317 PolarHBondContact O-N 3.49Å; L313-L466 HydrophobicContact CD2-CB 3.71Å; L313-L466 HydrophobicContact CD2-CD1 4.19Å; L313-L466 HydrophobicContact CD2-CD2 4.25Å; L313-L466 HydrophobicContact CD2-CG 4.26Å
314M94.9Very high92.4Very high0 Ų046.4 Ų46.40%023%0.225CC..Hα-helixtrans-59.8-46.4178.9-176.2-172.7-69.700111.5I237 I241 I283 L284 T287 I297 T299 L310 L311 N318I237-M314 HydrophobicContact CG2-CE 3.99Å; I241-M314 HydrophobicContact CD1-SD 3.87Å; I241-M314 HydrophobicContact CG1-CE 4.13Å; I241-M314 HydrophobicContact CG1-SD 4.03Å; I283-M314 HydrophobicContact CG2-CE 3.86Å; L284-M314 HydrophobicContact CD2-CB 3.84Å; L284-M314 VanDerWaalsContact CD2-N 3.32Å; T287-M314 HydrophobicContact CG2-CG 4.01Å; I297-M314 HydrophobicContact CG2-CG 4.32Å; I297-M314 HydrophobicContact CG2-SD 4.26Å; T299-M314 HydrophobicContact CG2-CB 4.43Å; T299-M314 HydrophobicContact CG2-CG 4.39Å; T299-M314 HydrophobicContact CG2-SD 3.98Å; L310-M314 HydrophobicContact CD1-CE 4.27Å; L310-M314 HydrophobicContact CG-CE 4.48Å; L310-M314 VanDerWaalsContact O-CB 3.26Å; L310-M314 WeakPolarHBondContact O-CB 3.26Å; L310-M314 PolarHBondContact O-N 3.09Å; L311-M314 PolarHBondContact O-N 3.3Å; M314-N318 PolarHBondContact O-N 3.44Å; M314-N318 PolarHBondContact O-ND2 3.37Å
315A94.4Very high92.5Very high0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-69.2-43.9177.400000111.8I297 T299 L311 L313 E317 N318 C319 G320I297-A315 VanDerWaalsContact O-CA 3.29Å; I297-A315 WeakPolarHBondContact O-CA 3.37Å; I297-A315 WeakPolarHBondContact O-CB 3.36Å; T299-A315 HydrophobicContact CG2-CB 4.19Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.92Å; L313-A315 PolarHBondContact O-N 2.68Å; A315-E317 PolarHBondContact O-N 2.78Å; A315-N318 CarbonylContact O-C 3.59Å; A315-N318 VanDerWaalsContact O-C 3.3Å; A315-N318 PolarHBondContact O-N 2.9Å; A315-N318 VanDerWaalsContact O-N 3.14Å; A315-C319 PolarHBondContact O-N 3.04Å; A315-G320 CarbonylContact O-C 3.45Å; A315-G320 PolarHBondContact O-N 2.69Å
316L91Very high92.3Very high28 Ų2838.3 Ų38.315%0.14719%0.187CC..Hα-helixtrans-62.4-40-178.8-179.268.5000112.4E312 L313 N318 R463 L466 R467E312-L316 WeakPolarHBondContact O-CB 3.39Å; E312-L316 PolarHBondContact O-N 3.41Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-N318 PolarHBondContact O-N 3.1Å; L316-R463 HydrophobicContact CD1-CB 4.33Å; L316-R463 HydrophobicContact CD1-CG 3.82Å; L316-R463 HydrophobicContact CD2-CB 4.18Å; L316-R463 HydrophobicContact CD2-CG 4.07Å; L316-L466 HydrophobicContact CD2-CB 4.15Å; L316-L466 HydrophobicContact CD2-CD1 3.91Å; L316-R467 PolarHBondContact O-NE 3.01Å; L316-R467 PolarHBondContact O-NH2 3.19Å
317E89.5Confident91.5Very high46 Ų4642.1 Ų42.122%0.21520%0.204CC..Hα-helixtrans-70-21.1178-74.1-178.4-163.800112.9L313 A315 R467L313-E317 WeakPolarHBondContact O-CB 3.22Å; L313-E317 WeakPolarHBondContact O-CG 3.47Å; L313-E317 PolarHBondContact O-N 3.49Å; A315-E317 PolarHBondContact O-N 2.78Å; E317-R467 HydrophobicContact CG-CG 4.28Å
318N92.1Very high90.6Very high6 Ų648.5 Ų48.53%0.03223%0.233CC..THydrogen-bonded Turntrans-123.250.5-174.3-57.3-79000110.8V291 C296 I297 M314 A315 L316 G320V291-N318 WeakPolarHBondContact CB-OD1 3.48Å; V291-N318 HydrophobicContact CG1-CB 4.36Å; V291-N318 WeakPolarHBondContact CG1-OD1 3.48Å; V291-N318 WeakPolarHBondContact CG2-OD1 3.42Å; C296-N318 CarbonylContact C-O 3.54Å; C296-N318 WeakPolarHBondContact CA-O 3.48Å; C296-N318 WeakPolarHBondContact CB-O 3.39Å; I297-N318 HydrophobicContact CB-CB 4.07Å; I297-N318 HydrophobicContact CD1-CB 4.26Å; I297-N318 HydrophobicContact CG1-CB 3.96Å; I297-N318 PolarHBondContact N-O 2.93Å; M314-N318 PolarHBondContact O-N 3.44Å; M314-N318 PolarHBondContact O-ND2 3.37Å; A315-N318 CarbonylContact O-C 3.59Å; A315-N318 VanDerWaalsContact O-C 3.3Å; A315-N318 PolarHBondContact O-N 2.9Å; A315-N318 VanDerWaalsContact O-N 3.14Å; L316-N318 PolarHBondContact O-N 3.1Å; N318-G320 PolarHBondContact O-N 3.47Å
319C89.3Confident89.8Confident49 Ų4948.8 Ų48.833%0.33124%0.241SC..THydrogen-bonded Turntrans50.811.4172.758.10000118.3C296 A315 T368C296-C319 WeakPolarHBondContact CA-SG 3.45Å; C296-C319 HydrophobicContact CB-CB 4.18Å; C296-C319 WeakPolarHBondContact CB-SG 3.49Å; C296-C319 WeakPolarHBondContact SG-CB 3.39Å; C296-C319 CovalentContact SG-SG 2.04Å; C296-C319 PolarHBondContact SG-SG 2.93Å; A315-C319 PolarHBondContact O-N 3.04Å; C319-T368 HydrophobicContact CB-CG2 4.47Å; C319-T368 VanDerWaalsContact CB-OG1 3.3Å; C319-T368 WeakPolarHBondContact CB-OG1 3.21Å
320G90.9Very high89.4Confident16 Ų1647.1 Ų47.117%0.16524%0.241CC..  trans-105.9-166.9-179.200000113.4I297 A315 N318I297-G320 WeakPolarHBondContact O-CA 3.08Å; A315-G320 CarbonylContact O-C 3.45Å; A315-G320 PolarHBondContact O-N 2.69Å; N318-G320 PolarHBondContact O-N 3.47Å
321M90.5Very high88.8Confident81 Ų8147 Ų4740%0.39924%0.241SC..  trans-140160.4176.269.1179.281.300111.3F298 T299 F338F298-M321 HydrophobicContact CD1-CG 3.92Å; F298-M321 HydrophobicContact CE1-CE 4.44Å; F298-M321 HydrophobicContact CE1-CG 4.12Å; T299-M321 PolarHBondContact N-O 2.82Å; T299-M321 VanDerWaalsContact N-O 3.15Å; M321-F338 HydrophobicContact CG-CE2 4.08Å; M321-F338 HydrophobicContact SD-CE2 4.32Å
322T93.1Very high88.3Confident33 Ų3347.4 Ų47.420%0.20224%0.244CC..EExtended strand (participates in β ladder)trans-100.7134.8176-55.70000111.3T299 L311 E312T299-T322 CarbonylContact O-C 3.52Å; T299-T322 VanDerWaalsContact O-CA 3.24Å; T299-T322 WeakPolarHBondContact O-CA 3.14Å; T299-T322 WeakPolarHBondContact OG1-CB 3.27Å; T299-T322 WeakPolarHBondContact OG1-CG2 3.42Å; T299-T322 PolarHBondContact OG1-OG1 3.08Å; L311-T322 HydrophobicContact CB-CG2 4.08Å; L311-T322 PolarHBondContact O-OG1 3.15Å; L311-T322 VanDerWaalsContact O-OG1 3.09Å; E312-T322 WeakPolarHBondContact CA-OG1 3.48Å; E312-T322 HydrophobicContact CG-CG2 4.12Å; E312-T322 PolarHBondContact N-OG1 3.37Å
323R92.9Very high88Confident59 Ų5946.2 Ų46.222%0.22325%0.245CC..EExtended strand (participates in β ladder)trans-106.5128.9167.2-172.259.957.5139.917.1110.1T299 I300 G301 I325 F338 E341T299-R323 PolarHBondContact O-N 3.04Å; I300-R323 WeakPolarHBondContact CA-O 3.42Å; I300-R323 HydrophobicContact CG1-CB 4.41Å; I300-R323 HydrophobicContact CG2-CB 4.39Å; G301-R323 PolarHBondContact N-O 3.25Å; R323-I325 HydrophobicContact CG-CG1 4.23Å; R323-F338 HydrophobicContact CB-CD2 3.99Å; R323-F338 HydrophobicContact CB-CE2 4.29Å; R323-F338 HydrophobicContact CB-CG 4.38Å; R323-F338 HydrophobicContact CG-CD2 4.33Å; R323-E341 IonicContact CZ-OE1 2.77Å; R323-E341 IonicContact NH1-OE1 3.14Å; R323-E341 IonicContact NH2-OE1 2.82Å; R323-E341 PolarHBondContact NH2-OE1 3.42Å; R323-E341 IonicContact NH2-OE2 3.29Å; R323-E341 PolarHBondContact NH2-OE2 3.41Å
324R92.8Very high87.8Confident139 Ų13949.8 Ų49.853%0.52526%0.263SS..EExtended strand (participates in β ladder)trans-96.4131.9170.2-48.7-160.6177.6-171.6-0.2109.5Y308 E312Y308-R324 HydrophobicContact CD1-CG 3.67Å; Y308-R324 HydrophobicContact CE1-CB 3.73Å; Y308-R324 HydrophobicContact CE1-CG 3.34Å; E312-R324 IonicContact OE1-CZ 3.67Å; E312-R324 VanDerWaalsContact OE1-CZ 3.31Å; E312-R324 IonicContact OE1-NE 3.42Å; E312-R324 PolarHBondContact OE1-NE 3.31Å; E312-R324 VanDerWaalsContact OE1-NE 3.14Å; E312-R324 IonicContact OE1-NH2 3.82Å; E312-R324 PolarHBondContact OE1-NH2 2.84Å; E312-R324 IonicContact OE2-NH2 3.11Å
325I89.9Confident87.4Confident4 Ų450.1 Ų50.12%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-122.8116.9177.2-60.8-179.6000107.9I300 G301 I302 G303 R323 A331 M334 L335I300-I325 HydrophobicContact CG2-CD1 3.55Å; I300-I325 HydrophobicContact CG2-CG1 4.09Å; G301-I325 PolarHBondContact O-N 2.68Å; I302-I325 WeakPolarHBondContact CA-O 3.48Å; I302-I325 HydrophobicContact CG1-CB 4.42Å; G303-I325 PolarHBondContact N-O 2.7Å; R323-I325 HydrophobicContact CG-CG1 4.23Å; I325-A331 HydrophobicContact CG2-CB 3.72Å; I325-M334 HydrophobicContact CD1-CB 3.85Å; I325-M334 HydrophobicContact CG1-CB 4.01Å; I325-M334 HydrophobicContact CG2-CB 4.37Å; I325-L335 HydrophobicContact CD1-CD2 3.75Å; I325-L335 HydrophobicContact CD1-CG 3.81Å
326S85.4Confident87.1Confident63 Ų6353.2 Ų53.244%0.44128%0.278SS..  trans-67145.7173.5176.10000111E328 A329S326-E328 PolarHBondContact O-N 3.4Å; S326-E328 PolarHBondContact OG-N 3.19Å; S326-A329 WeakPolarHBondContact O-CB 3.4Å; S326-A329 PolarHBondContact O-N 3.48Å
327E79.4Confident87Confident84 Ų8453 Ų5339%0.39328%0.283SS..THydrogen-bonded Turntrans-63.3-28.4178.5-56.3-161136.400113.1K172 K173 A329K172-E327 PolarHBondContact NZ-O 2.91Å; K172-E327 VanDerWaalsContact NZ-O 3.1Å; K173-E327 IonicContact NZ-OE1 2.93Å; K173-E327 PolarHBondContact NZ-OE1 2.61Å; E327-A329 VanDerWaalsContact C-N 3.31Å
328E75.1Confident87Confident166 Ų16651 Ų5178%0.77627%0.273SS*.THydrogen-bonded Turntrans-73.9-26.8177.2-60.2-170.5179.900111.8S326S326-E328 PolarHBondContact O-N 3.4Å; S326-E328 PolarHBondContact OG-N 3.19Å
329A76.5Confident86.9Confident34 Ų3451.1 Ų51.128%0.28127%0.274SS..SBendtrans-69.4164.3-178.100000112.3S326 E327 A331S326-A329 WeakPolarHBondContact O-CB 3.4Å; S326-A329 PolarHBondContact O-N 3.48Å; E327-A329 VanDerWaalsContact C-N 3.31Å; A329-A331 VanDerWaalsContact C-N 3.33Å; A329-A331 PolarHBondContact O-N 3.5Å
330N83.2Confident86.9Confident90 Ų9051.5 Ų51.548%0.48128%0.276SS..  trans-77.786.7168-172.1-13.5000109.3S332 A333 M334N330-S332 PolarHBondContact O-N 3.05Å; N330-S332 VanDerWaalsContact O-N 3.15Å; N330-S332 WeakPolarHBondContact OD1-CB 3.28Å; N330-S332 PolarHBondContact OD1-N 3.43Å; N330-A333 HydrophobicContact CB-CB 4.04Å; N330-A333 PolarHBondContact O-N 3.32Å; N330-A333 PolarHBondContact OD1-N 2.97Å; N330-M334 WeakPolarHBondContact O-CG 3.31Å; N330-M334 PolarHBondContact O-N 2.95Å
331A82.6Confident86.9Confident1 Ų152.1 Ų52.11%0.00828%0.275CS..Hα-helixtrans-54.6-35.2-179.500000112.2Q176 I325 A329 A333 M334 L335Q176-A331 HydrophobicContact CB-CB 4.09Å; I325-A331 HydrophobicContact CG2-CB 3.72Å; A329-A331 VanDerWaalsContact C-N 3.33Å; A329-A331 PolarHBondContact O-N 3.5Å; A331-A333 PolarHBondContact O-N 2.83Å; A331-M334 PolarHBondContact O-N 3.22Å; A331-L335 WeakPolarHBondContact O-CB 3.35Å; A331-L335 WeakPolarHBondContact O-CG 3.27Å; A331-L335 PolarHBondContact O-N 2.77Å
332S86Confident86.9Confident10 Ų1048.4 Ų48.47%0.0726%0.257CS..Hα-helixtrans-62.2-46.2177.7-168.40000111.9Q176 A180 N330 K336Q176-S332 PolarHBondContact O-OG 3.11Å; A180-S332 PolarHBondContact N-OG 3.24Å; N330-S332 PolarHBondContact O-N 3.05Å; N330-S332 VanDerWaalsContact O-N 3.15Å; N330-S332 WeakPolarHBondContact OD1-CB 3.28Å; N330-S332 PolarHBondContact OD1-N 3.43Å; S332-K336 WeakPolarHBondContact O-CG 3.45Å; S332-K336 PolarHBondContact O-N 3.15Å; S332-K336 VanDerWaalsContact O-N 3.09Å; S332-K336 WeakPolarHBondContact OG-CE 3.5Å
333A86.7Confident86.6Confident42 Ų4247 Ų4735%0.34725%0.25SC..Hα-helixtrans-66.3-41.5177.200000112.1N330 A331 K336 G337N330-A333 HydrophobicContact CB-CB 4.04Å; N330-A333 PolarHBondContact O-N 3.32Å; N330-A333 PolarHBondContact OD1-N 2.97Å; A331-A333 PolarHBondContact O-N 2.83Å; A333-K336 PolarHBondContact O-N 2.9Å; A333-G337 PolarHBondContact O-N 3.1Å
334M86.4Confident86.5Confident94 Ų9446.4 Ų46.446%0.46325%0.252SS..Hα-helixtrans-64.7-40.4178.6-65.8-67.499.600112.3I325 N330 A331 G337 F338I325-M334 HydrophobicContact CD1-CB 3.85Å; I325-M334 HydrophobicContact CG1-CB 4.01Å; I325-M334 HydrophobicContact CG2-CB 4.37Å; N330-M334 WeakPolarHBondContact O-CG 3.31Å; N330-M334 PolarHBondContact O-N 2.95Å; A331-M334 PolarHBondContact O-N 3.22Å; M334-G337 PolarHBondContact O-N 3.41Å; M334-F338 WeakPolarHBondContact O-CB 3.38Å; M334-F338 PolarHBondContact O-N 2.97Å
335L87.3Confident86.4Confident8 Ų839.8 Ų39.84%0.04223%0.227CC..Hα-helixtrans-64.5-43.3175.2-73.1171.2000111.9A180 L268 I300 I325 A331 F338 Y339A180-L335 HydrophobicContact CB-CB 3.62Å; A180-L335 HydrophobicContact CB-CD1 3.65Å; A180-L335 HydrophobicContact CB-CG 4.29Å; L268-L335 HydrophobicContact CD1-CD1 3.94Å; L268-L335 HydrophobicContact CD1-CD2 3.65Å; L268-L335 HydrophobicContact CD1-CG 4.47Å; I300-L335 HydrophobicContact CB-CD2 4.46Å; I300-L335 HydrophobicContact CD1-CD2 3.49Å; I300-L335 VanDerWaalsContact CD1-CD2 3.49Å; I300-L335 HydrophobicContact CG2-CD2 3.75Å; I325-L335 HydrophobicContact CD1-CD2 3.75Å; I325-L335 HydrophobicContact CD1-CG 3.81Å; A331-L335 WeakPolarHBondContact O-CB 3.35Å; A331-L335 WeakPolarHBondContact O-CG 3.27Å; A331-L335 PolarHBondContact O-N 2.77Å; L335-F338 PolarHBondContact O-N 3.49Å; L335-Y339 WeakPolarHBondContact O-CB 3.29Å; L335-Y339 PolarHBondContact O-N 3.3Å
336K88.4Confident86.4Confident65 Ų6539.8 Ų39.828%0.28323%0.227SC..Hα-helixtrans-63.5-44.4175.5-69.2170.8-163.6-161.30111.7T183 S332 A333 Y339 S340T183-K336 HydrophobicContact CG2-CD 3.87Å; T183-K336 HydrophobicContact CG2-CG 4.21Å; T183-K336 WeakPolarHBondContact OG1-CE 3.16Å; T183-K336 PolarHBondContact OG1-NZ 3.43Å; S332-K336 WeakPolarHBondContact O-CG 3.45Å; S332-K336 PolarHBondContact O-N 3.15Å; S332-K336 VanDerWaalsContact O-N 3.09Å; S332-K336 WeakPolarHBondContact OG-CE 3.5Å; A333-K336 PolarHBondContact O-N 2.9Å; K336-Y339 PolarHBondContact O-N 2.98Å; K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.35Å; K336-S340 PolarHBondContact O-OG 2.85Å
337G88Confident86.6Confident24 Ų2436.9 Ų36.925%0.24721%0.207CC..Hα-helixtrans-59.8-47.5175.800000111.3A333 M334 Y339 S340 E341A333-G337 PolarHBondContact O-N 3.1Å; M334-G337 PolarHBondContact O-N 3.41Å; G337-Y339 PolarHBondContact O-N 3.32Å; G337-S340 WeakPolarHBondContact O-CB 3.26Å; G337-S340 PolarHBondContact O-N 3.18Å; G337-S340 VanDerWaalsContact O-N 3.15Å; G337-E341 WeakPolarHBondContact O-CG 3.36Å; G337-E341 PolarHBondContact O-N 2.76Å; G337-E341 VanDerWaalsContact O-N 3.11Å
338F89.8Confident87Confident3 Ų333.9 Ų33.91%0.01320%0.195CC..Hα-helixtrans-58.9-46.9175.4178.9-104.5000112.5F298 I300 M321 R323 M334 L335 S340 E341 I342F298-F338 HydrophobicContact CB-CE1 4.06Å; F298-F338 HydrophobicContact CB-CZ 3.77Å; F298-F338 AromaticContact CD1-CZ 3.78Å; F298-F338 HydrophobicContact CD1-CZ 3.78Å; F298-F338 HydrophobicContact CG-CZ 4.03Å; I300-F338 HydrophobicContact CD1-CD1 3.48Å; I300-F338 VanDerWaalsContact CD1-CD1 3.48Å; I300-F338 HydrophobicContact CD1-CE1 3.78Å; I300-F338 HydrophobicContact CD1-CG 4.34Å; I300-F338 HydrophobicContact CG1-CD1 4.11Å; I300-F338 HydrophobicContact CG1-CE1 4.06Å; M321-F338 HydrophobicContact CG-CE2 4.08Å; M321-F338 HydrophobicContact SD-CE2 4.32Å; R323-F338 HydrophobicContact CB-CD2 3.99Å; R323-F338 HydrophobicContact CB-CE2 4.29Å; R323-F338 HydrophobicContact CB-CG 4.38Å; R323-F338 HydrophobicContact CG-CD2 4.33Å; M334-F338 WeakPolarHBondContact O-CB 3.38Å; M334-F338 PolarHBondContact O-N 2.97Å; L335-F338 PolarHBondContact O-N 3.49Å; F338-S340 VanDerWaalsContact C-N 3.29Å; F338-S340 PolarHBondContact O-N 3.32Å; F338-E341 WeakPolarHBondContact O-CB 3.33Å; F338-E341 PolarHBondContact O-N 3.46Å; F338-I342 HydrophobicContact CD1-CD1 4.33Å; F338-I342 HydrophobicContact CE1-CD1 3.58Å; F338-I342 HydrophobicContact CE1-CG1 4.43Å; F338-I342 HydrophobicContact CZ-CD1 3.85Å; F338-I342 PolarHBondContact O-N 2.95Å
339Y90.6Very high87.6Confident9 Ų929.4 Ų29.44%0.03518%0.177CC..Hα-helixtrans-62.8-37.5176.4-178.1-97.5000111.9K157 F161 I184 D187 L188 I266 L335 K336 G337 E341 I342 G343K157-Y339 WeakPolarHBondContact CE-OH 3.44Å; K157-Y339 PolarHBondContact NZ-OH 3.09Å; F161-Y339 HydrophobicContact CE1-CD2 4.5Å; F161-Y339 HydrophobicContact CE1-CE2 4.42Å; F161-Y339 HydrophobicContact CZ-CE2 4.14Å; I184-Y339 HydrophobicContact CB-CD1 4.37Å; I184-Y339 HydrophobicContact CB-CG 4.4Å; I184-Y339 HydrophobicContact CD1-CD2 4.34Å; I184-Y339 HydrophobicContact CD1-CG 4.09Å; I184-Y339 HydrophobicContact CG1-CD1 3.95Å; I184-Y339 HydrophobicContact CG1-CD2 4.28Å; I184-Y339 HydrophobicContact CG1-CG 3.76Å; I184-Y339 HydrophobicContact CG2-CD1 3.98Å; I184-Y339 HydrophobicContact CG2-CD2 3.7Å; I184-Y339 HydrophobicContact CG2-CE1 3.86Å; I184-Y339 HydrophobicContact CG2-CE2 3.55Å; I184-Y339 HydrophobicContact CG2-CG 3.9Å; D187-Y339 HydrophobicContact CB-CE1 4.03Å; L188-Y339 WeakPolarHBondContact CD2-OH 3.45Å; I266-Y339 HydrophobicContact CD1-CD2 3.97Å; I266-Y339 HydrophobicContact CD1-CE2 4.36Å; L335-Y339 WeakPolarHBondContact O-CB 3.29Å; L335-Y339 PolarHBondContact O-N 3.3Å; K336-Y339 PolarHBondContact O-N 2.98Å; G337-Y339 PolarHBondContact O-N 3.32Å; Y339-E341 PolarHBondContact O-N 3.21Å; Y339-I342 CarbonylContact O-C 3.47Å; Y339-I342 PolarHBondContact O-N 2.71Å; Y339-I342 VanDerWaalsContact O-N 3.14Å; Y339-G343 VanDerWaalsContact O-CA 3.25Å; Y339-G343 WeakPolarHBondContact O-CA 3.49Å; Y339-G343 PolarHBondContact O-N 3.03Å
340S90.1Very high88.3Confident56 Ų5627.8 Ų27.839%0.39216%0.163SC..Hα-helixtrans-62-32.6176.8-56.50000112L29 K336 G337 F338 I342L29-S340 VanDerWaalsContact CD2-C 3.47Å; K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.35Å; K336-S340 PolarHBondContact O-OG 2.85Å; G337-S340 WeakPolarHBondContact O-CB 3.26Å; G337-S340 PolarHBondContact O-N 3.18Å; G337-S340 VanDerWaalsContact O-N 3.15Å; F338-S340 VanDerWaalsContact C-N 3.29Å; F338-S340 PolarHBondContact O-N 3.32Å; S340-I342 VanDerWaalsContact C-N 3.35Å
341E90.3Very high88.9Confident30 Ų3029.1 Ų29.114%0.1416%0.161CC..Hα-helixtrans-67.7-32176.3-67.7175.5-138.100112.6R28 L29 R323 G337 F338 Y339 F371R28-E341 IonicContact CZ-OE2 3.29Å; R28-E341 IonicContact NH1-OE1 3.72Å; R28-E341 IonicContact NH1-OE2 2.85Å; R28-E341 PolarHBondContact NH1-OE2 3.13Å; L29-E341 HydrophobicContact CD2-CB 4.47Å; L29-E341 HydrophobicContact CD2-CG 3.97Å; L29-E341 HydrophobicContact CG-CG 4.04Å; R323-E341 IonicContact CZ-OE1 2.77Å; R323-E341 IonicContact NH1-OE1 3.14Å; R323-E341 IonicContact NH2-OE1 2.82Å; R323-E341 PolarHBondContact NH2-OE1 3.42Å; R323-E341 IonicContact NH2-OE2 3.29Å; R323-E341 PolarHBondContact NH2-OE2 3.41Å; G337-E341 WeakPolarHBondContact O-CG 3.36Å; G337-E341 PolarHBondContact O-N 2.76Å; G337-E341 VanDerWaalsContact O-N 3.11Å; F338-E341 WeakPolarHBondContact O-CB 3.33Å; F338-E341 PolarHBondContact O-N 3.46Å; Y339-E341 PolarHBondContact O-N 3.21Å; E341-F371 VanDerWaalsContact O-CB 3.29Å; E341-F371 WeakPolarHBondContact O-CB 3.17Å
342I89.7Confident89.4Confident2 Ų229.1 Ų29.11%0.0116%0.161CC..Hα-helixtrans-115.3-2-174.266.3169.8000114.2I266 F298 F338 Y339 S340 T344 F371I266-I342 HydrophobicContact CD1-CD1 3.91Å; I266-I342 HydrophobicContact CG1-CD1 4.17Å; F298-I342 HydrophobicContact CB-CD1 4.42Å; F298-I342 HydrophobicContact CD1-CD1 4.33Å; F298-I342 HydrophobicContact CD1-CG2 4.45Å; F298-I342 HydrophobicContact CD2-CD1 3.96Å; F298-I342 HydrophobicContact CE1-CG2 4Å; F298-I342 HydrophobicContact CE2-CD1 4.31Å; F298-I342 HydrophobicContact CG-CD1 3.97Å; F298-I342 HydrophobicContact CZ-CG2 4.2Å; F338-I342 HydrophobicContact CD1-CD1 4.33Å; F338-I342 HydrophobicContact CE1-CD1 3.58Å; F338-I342 HydrophobicContact CE1-CG1 4.43Å; F338-I342 HydrophobicContact CZ-CD1 3.85Å; F338-I342 PolarHBondContact O-N 2.95Å; Y339-I342 CarbonylContact O-C 3.47Å; Y339-I342 PolarHBondContact O-N 2.71Å; Y339-I342 VanDerWaalsContact O-N 3.14Å; S340-I342 VanDerWaalsContact C-N 3.35Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 2.99Å; I342-F371 HydrophobicContact CB-CD1 4.21Å; I342-F371 HydrophobicContact CB-CE1 3.99Å; I342-F371 HydrophobicContact CB-CE2 4.4Å; I342-F371 HydrophobicContact CB-CZ 4.09Å; I342-F371 HydrophobicContact CG2-CD2 4.36Å; I342-F371 HydrophobicContact CG2-CE2 4.2Å; I342-F371 HydrophobicContact CG2-CZ 4.35Å; I342-F371 WeakPolarHBondContact O-CD1 3.4Å; I342-F371 WeakPolarHBondContact O-CE1 3.44Å
343G87.4Confident89.8Confident5 Ų532 Ų325%0.05218%0.176CC..SBendtrans-77.2-17.9-17000000114K157 R189 Y339 P345K157-G343 WeakPolarHBondContact CE-O 3.43Å; K157-G343 PolarHBondContact NZ-O 2.85Å; R189-G343 PolarHBondContact NH1-O 3.02Å; Y339-G343 VanDerWaalsContact O-CA 3.25Å; Y339-G343 WeakPolarHBondContact O-CA 3.49Å; Y339-G343 PolarHBondContact O-N 3.03Å; G343-P345 WeakPolarHBondContact O-CD 3.43Å
344T89.8Confident90.1Very high46 Ų4631.4 Ų31.428%0.28217%0.165SC..  trans-122.976.5-175.7-51.20000111.2V154 I342 L346 F371 N372V154-T344 HydrophobicContact CG1-CG2 3.95Å; V154-T344 HydrophobicContact CG2-CG2 3.93Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 2.99Å; T344-L346 HydrophobicContact CG2-CD2 4.19Å; T344-F371 WeakPolarHBondContact O-CA 3.35Å; T344-N372 HydrophobicContact CG2-CB 3.78Å; T344-N372 PolarHBondContact O-N 2.91Å
345P90.8Very high90Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-69138.6172.927.1-31.1000111V155 K157 V262 G343 F371V155-P345 PolarHBondContact N-O 3.48Å; K157-P345 HydrophobicContact CB-CG 4.21Å; V262-P345 HydrophobicContact CB-CB 4.02Å; V262-P345 HydrophobicContact CB-CG 4.01Å; V262-P345 HydrophobicContact CG1-CB 4.31Å; V262-P345 HydrophobicContact CG1-CG 4.5Å; V262-P345 HydrophobicContact CG2-CB 3.7Å; V262-P345 HydrophobicContact CG2-CG 4.13Å; G343-P345 WeakPolarHBondContact O-CD 3.43Å; P345-F371 HydrophobicContact CB-CD1 3.94Å; P345-F371 HydrophobicContact CB-CE1 3.94Å
346L90Very high89.1Confident4 Ų437.2 Ų37.22%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-117.2-31.1-179.9-61.2-176.2000112.8L152 V154 V155 T344 Y370 N372 N398L152-L346 HydrophobicContact CB-CB 4.3Å; L152-L346 HydrophobicContact CB-CD1 4.46Å; L152-L346 HydrophobicContact CD1-CB 4.46Å; V154-L346 HydrophobicContact CG2-CD2 4.05Å; V155-L346 WeakPolarHBondContact CG2-O 3.42Å; T344-L346 HydrophobicContact CG2-CD2 4.19Å; L346-Y370 HydrophobicContact CB-CD1 3.98Å; L346-Y370 HydrophobicContact CB-CE1 4.39Å; L346-Y370 HydrophobicContact CD1-CD1 4.38Å; L346-Y370 HydrophobicContact CD1-CE1 3.96Å; L346-Y370 PolarHBondContact N-O 2.97Å; L346-N372 HydrophobicContact CD1-CB 3.71Å; L346-N372 HydrophobicContact CD2-CB 4.3Å; L346-N372 HydrophobicContact CG-CB 3.93Å; L346-N398 PolarHBondContact O-ND2 2.96Å
347L89.7Confident88.5Confident1 Ų141 Ų411%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-139.7152.9177.3-58.5170.2000110.8F147 P149 L152 I350 N369 Y370 A396 S397 N398 I403F147-L347 HydrophobicContact CE1-CD1 3.85Å; F147-L347 HydrophobicContact CZ-CD1 3.9Å; P149-L347 HydrophobicContact CG-CD1 3.91Å; L152-L347 HydrophobicContact CD1-CD1 3.87Å; L152-L347 HydrophobicContact CD1-CD2 3.68Å; L152-L347 HydrophobicContact CD1-CG 3.71Å; L347-I350 HydrophobicContact CB-CD1 3.92Å; L347-I350 HydrophobicContact CB-CG1 3.8Å; L347-I350 HydrophobicContact CD1-CG1 4.32Å; L347-N369 WeakPolarHBondContact O-CA 3.47Å; L347-Y370 HydrophobicContact CD1-CD1 4.26Å; L347-Y370 HydrophobicContact CG-CD1 4.4Å; L347-Y370 PolarHBondContact N-O 3.3Å; L347-Y370 PolarHBondContact O-N 2.94Å; L347-A396 HydrophobicContact CB-CB 4.13Å; L347-A396 HydrophobicContact CD1-CB 4.01Å; L347-A396 HydrophobicContact CD2-CB 3.93Å; L347-A396 HydrophobicContact CG-CB 4.27Å; L347-S397 WeakPolarHBondContact CA-O 3.42Å; L347-N398 HydrophobicContact CD2-CB 4.05Å; L347-I403 HydrophobicContact CD2-CD1 3.7Å
348S88.4Confident88.2Confident22 Ų2241.4 Ų41.415%0.15422%0.217CC..EExtended strand (participates in β ladder)trans-129.1163.7167.258.60000111.8I350 T368 S397S348-I350 PolarHBondContact O-N 3.5Å; S348-T368 CarbonylContact C-O 3.48Å; S348-T368 WeakPolarHBondContact CA-O 3.45Å; S348-S397 PolarHBondContact N-O 3.03Å; S348-S397 PolarHBondContact O-N 3.18Å
349D87Confident88Confident71 Ų7142.6 Ų42.638%0.3822%0.224SC..EExtended strand (participates in β ladder)trans46.853.1-178.3-16922.5000113.2R351 T368D349-R351 PolarHBondContact O-N 2.84Å; D349-R351 IonicContact OD1-CZ 3.84Å; D349-R351 IonicContact OD1-NE 3.16Å; D349-R351 PolarHBondContact OD1-NE 2.92Å; D349-R351 IonicContact OD1-NH2 3.32Å; D349-R351 PolarHBondContact OD1-NH2 3.44Å; D349-R351 VanDerWaalsContact OD1-NH2 3.16Å; D349-R351 IonicContact OD2-CZ 3.69Å; D349-R351 IonicContact OD2-NE 2.78Å; D349-R351 IonicContact OD2-NH2 3.67Å; D349-R351 PolarHBondContact OD2-NH2 2.88Å; D349-T368 PolarHBondContact N-O 2.91Å
350I91.9Very high87.8Confident0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-79.8120.5-179.4-5391.8000108.7F147 L347 S348 I352 L366 F367 I376 V394 T395 A396F147-I350 HydrophobicContact CD1-CG2 4.4Å; F147-I350 HydrophobicContact CE1-CG2 4.02Å; L347-I350 HydrophobicContact CB-CD1 3.92Å; L347-I350 HydrophobicContact CB-CG1 3.8Å; L347-I350 HydrophobicContact CD1-CG1 4.32Å; S348-I350 PolarHBondContact O-N 3.5Å; I350-I352 HydrophobicContact CG2-CG1 4.34Å; I350-L366 CarbonylContact O-C 3.54Å; I350-L366 WeakPolarHBondContact O-CA 3.37Å; I350-F367 HydrophobicContact CB-CB 4.26Å; I350-F367 HydrophobicContact CD1-CB 4.44Å; I350-F367 VanDerWaalsContact CD1-O 3.3Å; I350-F367 WeakPolarHBondContact CD1-O 3.44Å; I350-F367 PolarHBondContact N-O 3.02Å; I350-F367 PolarHBondContact O-N 2.82Å; I350-I376 HydrophobicContact CB-CD1 4.48Å; I350-I376 HydrophobicContact CG2-CD1 4.24Å; I350-V394 HydrophobicContact CG2-CG1 4.16Å; I350-T395 CarbonylContact C-O 3.58Å; I350-T395 WeakPolarHBondContact CA-O 3.23Å; I350-A396 HydrophobicContact CB-CB 4.42Å; I350-A396 HydrophobicContact CG1-CB 3.91Å
351R94.9Very high87.7Confident118 Ų11845.4 Ų45.445%0.44524%0.244SC..EExtended strand (participates in β ladder)trans-121.5128.8175.2-55.8174.6-171.4177.96.4109.3D349 S365 L366 V394 T395D349-R351 PolarHBondContact O-N 2.84Å; D349-R351 IonicContact OD1-CZ 3.84Å; D349-R351 IonicContact OD1-NE 3.16Å; D349-R351 PolarHBondContact OD1-NE 2.92Å; D349-R351 IonicContact OD1-NH2 3.32Å; D349-R351 PolarHBondContact OD1-NH2 3.44Å; D349-R351 VanDerWaalsContact OD1-NH2 3.16Å; D349-R351 IonicContact OD2-CZ 3.69Å; D349-R351 IonicContact OD2-NE 2.78Å; D349-R351 IonicContact OD2-NH2 3.67Å; D349-R351 PolarHBondContact OD2-NH2 2.88Å; R351-S365 WeakPolarHBondContact CA-O 3.39Å; R351-L366 HydrophobicContact CG-CD1 3.59Å; R351-V394 CarbonylContact O-C 3.38Å; R351-V394 WeakPolarHBondContact O-CA 3.48Å; R351-T395 WeakPolarHBondContact CB-OG1 3.33Å; R351-T395 PolarHBondContact N-O 3.25Å; R351-T395 PolarHBondContact O-N 3.48Å
352I95Very high87.8Confident1 Ų145.7 Ų45.71%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-114.3105.3178.3-55.4177.2000108.2F147 I350 Y354 S365 F367 I376 V378 V392 Q393 V394F147-I352 HydrophobicContact CB-CD1 4.37Å; I350-I352 HydrophobicContact CG2-CG1 4.34Å; I352-Y354 HydrophobicContact CG2-CE1 4.24Å; I352-Y354 HydrophobicContact CG2-CE2 3.8Å; I352-Y354 WeakPolarHBondContact CG2-OH 3.48Å; I352-S365 PolarHBondContact N-O 3Å; I352-S365 VanDerWaalsContact O-CB 3.3Å; I352-S365 WeakPolarHBondContact O-CB 3.33Å; I352-F367 HydrophobicContact CD1-CE2 4.44Å; I352-I376 HydrophobicContact CD1-CG2 3.89Å; I352-V378 HydrophobicContact CD1-CG2 3.81Å; I352-V392 HydrophobicContact CG2-CG1 4.38Å; I352-Q393 CarbonylContact C-O 3.57Å; I352-Q393 WeakPolarHBondContact CA-O 3.22Å; I352-V394 HydrophobicContact CG1-CG1 4.22Å; I352-V394 HydrophobicContact CG1-CG2 4.2Å; I352-V394 HydrophobicContact CG2-CG2 4.28Å
353N93.9Very high88Confident72 Ų7245.9 Ų45.939%0.38525%0.249SC..EExtended strand (participates in β ladder)trans-100.9138.4-179-63.1-35.9000110.5V392 Q393N353-V392 WeakPolarHBondContact O-CA 3.22Å; N353-Q393 HydrophobicContact CB-CB 4.31Å; N353-Q393 PolarHBondContact N-O 3.02Å; N353-Q393 PolarHBondContact ND2-OE1 3.21Å; N353-Q393 PolarHBondContact O-N 3.2Å
354Y92.5Very high88.2Confident28 Ų2849.4 Ų49.411%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-115.3154.7173.1-55.2-85.1000108.7F143 H145 I352 Q356 V359 V362 V378 L390 H391 V392F143-Y354 HydrophobicContact CD2-CE1 4.45Å; F143-Y354 HydrophobicContact CE2-CD1 4.08Å; F143-Y354 AromaticContact CE2-CE1 3.44Å; F143-Y354 HydrophobicContact CE2-CE1 3.44Å; F143-Y354 VanDerWaalsContact CE2-CE1 3.44Å; F143-Y354 HydrophobicContact CE2-CE2 4.25Å; F143-Y354 AromaticContact CE2-CZ 3.53Å; F143-Y354 AromaticContact CZ-CD1 3.76Å; F143-Y354 HydrophobicContact CZ-CD1 3.76Å; F143-Y354 HydrophobicContact CZ-CD2 4.25Å; F143-Y354 AromaticContact CZ-CE1 3.6Å; F143-Y354 HydrophobicContact CZ-CE1 3.6Å; F143-Y354 HydrophobicContact CZ-CE2 4.1Å; F143-Y354 HydrophobicContact CZ-CG 4.09Å; F143-Y354 AromaticContact CZ-CZ 3.77Å; H145-Y354 WeakPolarHBondContact CB-OH 3.46Å; H145-Y354 AromaticContact ND1-CE1 3.91Å; H145-Y354 AromaticContact ND1-CZ 3.8Å; H145-Y354 PolarHBondContact ND1-OH 2.91Å; I352-Y354 HydrophobicContact CG2-CE1 4.24Å; I352-Y354 HydrophobicContact CG2-CE2 3.8Å; I352-Y354 WeakPolarHBondContact CG2-OH 3.48Å; Y354-Q356 PolarHBondContact O-N 2.89Å; Y354-V359 HydrophobicContact CG-CG2 4.49Å; Y354-V362 HydrophobicContact CD2-CG1 4.22Å; Y354-V362 HydrophobicContact CD2-CG2 3.8Å; Y354-V362 HydrophobicContact CE2-CG1 4.05Å; Y354-V362 HydrophobicContact CE2-CG2 3.87Å; Y354-V378 HydrophobicContact CE2-CG1 3.92Å; Y354-V378 WeakPolarHBondContact OH-CB 3.13Å; Y354-V378 WeakPolarHBondContact OH-CG1 3.45Å; Y354-L390 HydrophobicContact CD1-CD2 3.94Å; Y354-L390 HydrophobicContact CD1-CG 4.45Å; Y354-H391 WeakPolarHBondContact CA-O 3.44Å; Y354-V392 HydrophobicContact CD1-CG1 4.31Å; Y354-V392 HydrophobicContact CD1-CG2 3.9Å; Y354-V392 HydrophobicContact CE1-CG1 4.07Å; Y354-V392 HydrophobicContact CE1-CG2 4.11Å
355T85Confident88.3Confident51 Ų5149.1 Ų49.131%0.31326%0.264SS..  trans-52.2126-179.7-37.10000111.4N357 S358 H391T355-N357 PolarHBondContact O-N 2.89Å; T355-S358 PolarHBondContact O-N 2.88Å; T355-H391 PolarHBondContact N-O 3Å; T355-H391 WeakPolarHBondContact OG1-CA 3.27Å; T355-H391 WeakPolarHBondContact OG1-CB 3.5Å; T355-H391 PolarHBondContact OG1-N 2.6Å; T355-H391 PolarHBondContact OG1-O 3.11Å; T355-H391 VanDerWaalsContact OG1-O 3.1Å
356Q68.8Low88.4Confident173 Ų17353.5 Ų53.581%0.80829%0.287SS*.THydrogen-bonded Turntrans-59139.5176.9-69.5-178.3-6.800109.8Y354 S358Y354-Q356 PolarHBondContact O-N 2.89Å; Q356-S358 VanDerWaalsContact C-N 3.26Å; Q356-S358 PolarHBondContact O-N 2.8Å
357N75.2Confident88.4Confident146 Ų14654.9 Ų54.978%0.78129%0.293SS*.THydrogen-bonded Turntrans74-12.3-176.8-48-41.9000117T355 T383T355-N357 PolarHBondContact O-N 2.89Å; N357-T383 WeakPolarHBondContact O-CG2 3.25Å; N357-T383 PolarHBondContact O-OG1 3.14Å
358S81Confident88.4Confident32 Ų3257.8 Ų57.822%0.22431%0.311CS..THydrogen-bonded Turntrans-84.5-18174.5-55.90000113.3T355 Q356 L382 T383T355-S358 PolarHBondContact O-N 2.88Å; Q356-S358 VanDerWaalsContact C-N 3.26Å; Q356-S358 PolarHBondContact O-N 2.8Å; S358-L382 WeakPolarHBondContact O-CA 3.36Å; S358-T383 WeakPolarHBondContact CA-OG1 3.46Å; S358-T383 PolarHBondContact O-N 2.84Å; S358-T383 PolarHBondContact O-OG1 2.67Å; S358-T383 VanDerWaalsContact O-OG1 3.06Å
359V86.7Confident88.5Confident28 Ų2858 Ų5817%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-128.3121.5-175.2-170.70000109.5F143 Y354 V362 K381 L382 L390F143-V359 HydrophobicContact CE1-CG1 3.83Å; F143-V359 HydrophobicContact CE1-CG2 4Å; F143-V359 HydrophobicContact CZ-CG1 4.28Å; Y354-V359 HydrophobicContact CG-CG2 4.49Å; V359-V362 HydrophobicContact CG1-CB 4.33Å; V359-V362 HydrophobicContact CG1-CG2 3.5Å; V359-V362 VanDerWaalsContact CG1-CG2 3.5Å; V359-K381 CarbonylContact C-O 3.56Å; V359-K381 WeakPolarHBondContact CG1-O 3.47Å; V359-L382 HydrophobicContact CG2-CD2 4.3Å; V359-L390 HydrophobicContact CG2-CD1 3.8Å
360G85Confident88.7Confident56 Ų5654.7 Ų54.758%0.57729%0.293SS*.EExtended strand (participates in β ladder)trans-85.3-31.4-174.300000112.8K381G360-K381 PolarHBondContact N-O 3.07Å
361Y88.3Confident88.7Confident67 Ų6755.6 Ų55.626%0.26330%0.296SS..EExtended strand (participates in β ladder)trans-150.3134.5174.8-177.2-87.6000109.6T363 G380 K381 W453 S457Y361-T363 HydrophobicContact CE1-CG2 4.27Å; Y361-G380 CarbonylContact O-C 3.53Å; Y361-G380 WeakPolarHBondContact O-CA 3.06Å; Y361-K381 PolarHBondContact O-N 3.46Å; Y361-W453 AromaticContact CD1-CE2 3.85Å; Y361-W453 AromaticContact CD1-CZ2 3.71Å; Y361-W453 HydrophobicContact CD1-CZ2 3.71Å; Y361-W453 AromaticContact CD1-NE1 3.46Å; Y361-W453 HydrophobicContact CE1-CZ2 4.33Å; Y361-W453 HydrophobicContact CG-CZ2 4.24Å; Y361-S457 WeakPolarHBondContact CE1-OG 3.5Å
362V92.6Very high88.5Confident37 Ų3754 Ų5422%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-130.6138174.5137.30000108F143 Y354 V359 V378 A379F143-V362 HydrophobicContact CE1-CG2 4.28Å; F143-V362 HydrophobicContact CE2-CG2 4.48Å; F143-V362 HydrophobicContact CZ-CG2 3.61Å; Y354-V362 HydrophobicContact CD2-CG1 4.22Å; Y354-V362 HydrophobicContact CD2-CG2 3.8Å; Y354-V362 HydrophobicContact CE2-CG1 4.05Å; Y354-V362 HydrophobicContact CE2-CG2 3.87Å; V359-V362 HydrophobicContact CG1-CB 4.33Å; V359-V362 HydrophobicContact CG1-CG2 3.5Å; V359-V362 VanDerWaalsContact CG1-CG2 3.5Å; V362-V378 HydrophobicContact CG1-CG1 4.06Å; V362-A379 WeakPolarHBondContact CA-O 3.47Å
363T94.2Very high88.3Confident6 Ų654.2 Ų54.24%0.03730%0.299CS..  trans-67.7177.1172.961.10000110.3Y361 S365 A379 L456 E460Y361-T363 HydrophobicContact CE1-CG2 4.27Å; T363-S365 PolarHBondContact O-N 2.65Å; T363-S365 VanDerWaalsContact O-N 3.09Å; T363-A379 HydrophobicContact CG2-CB 4.22Å; T363-A379 PolarHBondContact N-O 3.09Å; T363-A379 PolarHBondContact OG1-N 3.21Å; T363-A379 PolarHBondContact OG1-O 2.98Å; T363-L456 HydrophobicContact CG2-CB 3.74Å; T363-E460 WeakPolarHBondContact CA-OE2 3.41Å; T363-E460 WeakPolarHBondContact CB-OE2 3.49Å
364Q91.4Very high88.3Confident79 Ų7952.1 Ų52.137%0.36929%0.29SS..  trans-35.4119.2174.3-177.3178.1-600113.4L366 F367 E460Q364-L366 WeakPolarHBondContact CG-O 3.23Å; Q364-L366 PolarHBondContact NE2-O 3.06Å; Q364-F367 HydrophobicContact CB-CZ 4.37Å; Q364-F367 HydrophobicContact CG-CE1 4.02Å; Q364-F367 HydrophobicContact CG-CZ 4.01Å; Q364-F367 WeakPolarHBondContact O-CE2 3.27Å; Q364-F367 WeakPolarHBondContact O-CZ 3.39Å; Q364-E460 PolarHBondContact N-OE2 3.06Å
365S92.3Very high88.4Confident39 Ų3952.2 Ų52.227%0.27329%0.291SS..  trans-120.5-1.5-178.8630000113.9R351 I352 T363R351-S365 WeakPolarHBondContact CA-O 3.39Å; I352-S365 PolarHBondContact N-O 3Å; I352-S365 VanDerWaalsContact O-CB 3.3Å; I352-S365 WeakPolarHBondContact O-CB 3.33Å; T363-S365 PolarHBondContact O-N 2.65Å; T363-S365 VanDerWaalsContact O-N 3.09Å
366L92.1Very high88.8Confident93 Ų9350.2 Ų50.249%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-109.1124.8172.7175.269.7000109.3I350 R351 Q364I350-L366 CarbonylContact O-C 3.54Å; I350-L366 WeakPolarHBondContact O-CA 3.37Å; R351-L366 HydrophobicContact CG-CD1 3.59Å; Q364-L366 WeakPolarHBondContact CG-O 3.23Å; Q364-L366 PolarHBondContact NE2-O 3.06Å
367F91.5Very high90.1Very high33 Ų3343.2 Ų43.215%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-130.7127.1179.5-57.8-91.9000110I350 I352 Q364 I376 V378I350-F367 HydrophobicContact CB-CB 4.26Å; I350-F367 HydrophobicContact CD1-CB 4.44Å; I350-F367 VanDerWaalsContact CD1-O 3.3Å; I350-F367 WeakPolarHBondContact CD1-O 3.44Å; I350-F367 PolarHBondContact N-O 3.02Å; I350-F367 PolarHBondContact O-N 2.82Å; I352-F367 HydrophobicContact CD1-CE2 4.44Å; Q364-F367 HydrophobicContact CB-CZ 4.37Å; Q364-F367 HydrophobicContact CG-CE1 4.02Å; Q364-F367 HydrophobicContact CG-CZ 4.01Å; Q364-F367 WeakPolarHBondContact O-CE2 3.27Å; Q364-F367 WeakPolarHBondContact O-CZ 3.39Å; F367-I376 HydrophobicContact CB-CD1 3.89Å; F367-I376 HydrophobicContact CD1-CD1 4.41Å; F367-I376 HydrophobicContact CD1-CG1 4.18Å; F367-I376 HydrophobicContact CD1-CG2 4.37Å; F367-I376 HydrophobicContact CD2-CD1 4.03Å; F367-I376 HydrophobicContact CD2-CG1 4.35Å; F367-I376 HydrophobicContact CD2-CG2 3.71Å; F367-I376 HydrophobicContact CE1-CG2 4.04Å; F367-I376 HydrophobicContact CE2-CG2 3.33Å; F367-I376 HydrophobicContact CG-CD1 3.85Å; F367-I376 HydrophobicContact CG-CG1 4.1Å; F367-I376 HydrophobicContact CG-CG2 4.22Å; F367-I376 HydrophobicContact CZ-CG2 3.52Å; F367-V378 HydrophobicContact CE2-CG2 3.76Å; F367-V378 HydrophobicContact CZ-CG2 3.98Å
368T89.3Confident91.1Very high62 Ų6236.2 Ų36.238%0.3821%0.211SC..EExtended strand (participates in β ladder)trans-67.8-39.9-176.3-47.10000112.2C319 S348 D349C319-T368 HydrophobicContact CB-CG2 4.47Å; C319-T368 VanDerWaalsContact CB-OG1 3.3Å; C319-T368 WeakPolarHBondContact CB-OG1 3.21Å; S348-T368 CarbonylContact C-O 3.48Å; S348-T368 WeakPolarHBondContact CA-O 3.45Å; D349-T368 PolarHBondContact N-O 2.91Å
369N90.1Very high91.9Very high26 Ų2634.7 Ų34.714%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-141.6145.2-173.9-62.4-55.1000111.2V262 C296 L347 F371V262-N369 WeakPolarHBondContact CG1-OD1 3.4Å; V262-N369 WeakPolarHBondContact CG2-OD1 3.45Å; C296-N369 PolarHBondContact SG-ND2 2.92Å; L347-N369 WeakPolarHBondContact O-CA 3.47Å; N369-F371 HydrophobicContact CB-CE1 4.47Å; N369-F371 HydrophobicContact CB-CE2 3.79Å; N369-F371 HydrophobicContact CB-CZ 3.76Å
370Y91.4Very high92.2Very high2 Ų233.4 Ų33.41%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-119.6127.1166.2176.6-108.1000109.3A148 P149 L346 L347 S374 I376A148-Y370 VanDerWaalsContact CA-OH 3.28Å; A148-Y370 WeakPolarHBondContact CA-OH 3.45Å; P149-Y370 HydrophobicContact CG-CD1 4.08Å; P149-Y370 HydrophobicContact CG-CE1 3.7Å; L346-Y370 HydrophobicContact CB-CD1 3.98Å; L346-Y370 HydrophobicContact CB-CE1 4.39Å; L346-Y370 HydrophobicContact CD1-CD1 4.38Å; L346-Y370 HydrophobicContact CD1-CE1 3.96Å; L346-Y370 PolarHBondContact N-O 2.97Å; L347-Y370 HydrophobicContact CD1-CD1 4.26Å; L347-Y370 HydrophobicContact CG-CD1 4.4Å; L347-Y370 PolarHBondContact N-O 3.3Å; L347-Y370 PolarHBondContact O-N 2.94Å; Y370-S374 WeakPolarHBondContact CE2-O 3.37Å; Y370-S374 WeakPolarHBondContact CE2-OG 3.46Å; Y370-S374 PolarHBondContact OH-O 3.24Å; Y370-I376 HydrophobicContact CD2-CD1 4.03Å; Y370-I376 HydrophobicContact CD2-CG1 4.21Å
371F91.9Very high92.7Very high19 Ų1935.1 Ų35.18%0.08318%0.184CC..EExtended strand (participates in β ladder)trans-105.8145.5-179.5-58.8-79.2000110.8F298 E341 I342 T344 P345 N369 G373 S374F298-F371 HydrophobicContact CE2-CZ 4.42Å; F298-F371 HydrophobicContact CZ-CE2 4.07Å; F298-F371 AromaticContact CZ-CZ 4Å; F298-F371 HydrophobicContact CZ-CZ 4Å; E341-F371 VanDerWaalsContact O-CB 3.29Å; E341-F371 WeakPolarHBondContact O-CB 3.17Å; I342-F371 HydrophobicContact CB-CD1 4.21Å; I342-F371 HydrophobicContact CB-CE1 3.99Å; I342-F371 HydrophobicContact CB-CE2 4.4Å; I342-F371 HydrophobicContact CB-CZ 4.09Å; I342-F371 HydrophobicContact CG2-CD2 4.36Å; I342-F371 HydrophobicContact CG2-CE2 4.2Å; I342-F371 HydrophobicContact CG2-CZ 4.35Å; I342-F371 WeakPolarHBondContact O-CD1 3.4Å; I342-F371 WeakPolarHBondContact O-CE1 3.44Å; T344-F371 WeakPolarHBondContact O-CA 3.35Å; P345-F371 HydrophobicContact CB-CD1 3.94Å; P345-F371 HydrophobicContact CB-CE1 3.94Å; N369-F371 HydrophobicContact CB-CE1 4.47Å; N369-F371 HydrophobicContact CB-CE2 3.79Å; N369-F371 HydrophobicContact CB-CZ 3.76Å; F371-G373 PolarHBondContact O-N 3.2Å; F371-S374 PolarHBondContact N-OG 2.9Å; F371-S374 WeakPolarHBondContact O-CB 3.46Å; F371-S374 PolarHBondContact O-N 2.97Å; F371-S374 PolarHBondContact O-OG 2.94Å
372N91.5Very high92.9Very high84 Ų8432.7 Ų32.745%0.44918%0.175SC..THydrogen-bonded Turntrans-56.3135.5176.7-171.120.5000110.9T344 L346 S374T344-N372 HydrophobicContact CG2-CB 3.78Å; T344-N372 PolarHBondContact O-N 2.91Å; L346-N372 HydrophobicContact CD1-CB 3.71Å; L346-N372 HydrophobicContact CD2-CB 4.3Å; L346-N372 HydrophobicContact CG-CB 3.93Å; N372-S374 PolarHBondContact O-N 2.82Å
373G90.7Very high92.7Very high5 Ų534.8 Ų34.85%0.05219%0.188CC..THydrogen-bonded Turntrans76.92.6-17800000115R27 R28 L29 G30 F371R27-G373 VanDerWaalsContact NH1-C 3.35Å; R27-G373 PolarHBondContact NH1-O 3.2Å; R28-G373 CarbonylContact C-O 3.54Å; L29-G373 PolarHBondContact N-O 2.96Å; G30-G373 VanDerWaalsContact N-CA 3.27Å; G30-G373 PolarHBondContact N-O 3.15Å; F371-G373 PolarHBondContact O-N 3.2Å
374S93.2Very high92.2Very high29 Ų2938.1 Ų38.120%0.20321%0.206CC..  trans-95.8-178.517076.10000111.7R27 Y370 F371 N372R27-S374 PolarHBondContact NH1-O 2.84Å; Y370-S374 WeakPolarHBondContact CE2-O 3.37Å; Y370-S374 WeakPolarHBondContact CE2-OG 3.46Å; Y370-S374 PolarHBondContact OH-O 3.24Å; F371-S374 PolarHBondContact N-OG 2.9Å; F371-S374 WeakPolarHBondContact O-CB 3.46Å; F371-S374 PolarHBondContact O-N 2.97Å; F371-S374 PolarHBondContact O-OG 2.94Å; N372-S374 PolarHBondContact O-N 2.82Å
375E94Very high91.7Very high29 Ų2942.7 Ų42.714%0.13622%0.219CC..  trans-145.9141.2178177.6171.4-112.700110.3R27 Y32 R129 A148 V377R27-E375 HydrophobicContact CB-CB 3.78Å; Y32-E375 PolarHBondContact OH-OE1 3.15Å; Y32-E375 PolarHBondContact OH-OE2 2.94Å; R129-E375 IonicContact CZ-OE1 3.31Å; R129-E375 IonicContact NH1-OE1 2.67Å; R129-E375 PolarHBondContact NH1-OE1 2.84Å; R129-E375 IonicContact NH2-OE1 3.9Å; A148-E375 HydrophobicContact CB-CB 4.26Å; A148-E375 HydrophobicContact CB-CG 4.27Å; E375-V377 HydrophobicContact CG-CG2 3.96Å
376I94.3Very high91.1Very high9 Ų944.2 Ų44.25%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-98.9129.9168.1-74167.4000107.8F147 I350 I352 F367 Y370 V378F147-I376 HydrophobicContact CB-CB 4.22Å; F147-I376 HydrophobicContact CB-CG2 4.46Å; F147-I376 HydrophobicContact CD1-CB 4.37Å; F147-I376 HydrophobicContact CD1-CD1 4.07Å; F147-I376 PolarHBondContact N-O 3.23Å; F147-I376 PolarHBondContact O-N 2.8Å; I350-I376 HydrophobicContact CB-CD1 4.48Å; I350-I376 HydrophobicContact CG2-CD1 4.24Å; I352-I376 HydrophobicContact CD1-CG2 3.89Å; F367-I376 HydrophobicContact CB-CD1 3.89Å; F367-I376 HydrophobicContact CD1-CD1 4.41Å; F367-I376 HydrophobicContact CD1-CG1 4.18Å; F367-I376 HydrophobicContact CD1-CG2 4.37Å; F367-I376 HydrophobicContact CD2-CD1 4.03Å; F367-I376 HydrophobicContact CD2-CG1 4.35Å; F367-I376 HydrophobicContact CD2-CG2 3.71Å; F367-I376 HydrophobicContact CE1-CG2 4.04Å; F367-I376 HydrophobicContact CE2-CG2 3.33Å; F367-I376 HydrophobicContact CG-CD1 3.85Å; F367-I376 HydrophobicContact CG-CG1 4.1Å; F367-I376 HydrophobicContact CG-CG2 4.22Å; F367-I376 HydrophobicContact CZ-CG2 3.52Å; Y370-I376 HydrophobicContact CD2-CD1 4.03Å; Y370-I376 HydrophobicContact CD2-CG1 4.21Å; I376-V378 HydrophobicContact CG2-CG2 4.02Å
377V95.6Very high90.7Very high26 Ų2640.8 Ų40.816%0.15822%0.215CC..EExtended strand (participates in β ladder)trans-121.1119177.3-171.60000108.7V144 H145 Y146 E375 L456V144-V377 HydrophobicContact CG1-CG1 3.6Å; H145-V377 WeakPolarHBondContact O-CA 3.01Å; Y146-V377 HydrophobicContact CD1-CG1 4.15Å; Y146-V377 HydrophobicContact CD1-CG2 3.86Å; Y146-V377 HydrophobicContact CE1-CG1 3.94Å; Y146-V377 HydrophobicContact CE1-CG2 4.07Å; E375-V377 HydrophobicContact CG-CG2 3.96Å; V377-L456 HydrophobicContact CG1-CD1 3.98Å
378V96.4Very high90.5Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-117.6134.9175.2-175.30000108.6V144 H145 I352 Y354 V362 F367 I376V144-V378 CarbonylContact C-O 3.56Å; V144-V378 WeakPolarHBondContact CA-O 3.32Å; H145-V378 HydrophobicContact CB-CB 4.4Å; H145-V378 PolarHBondContact N-O 2.83Å; H145-V378 PolarHBondContact O-N 3.15Å; I352-V378 HydrophobicContact CD1-CG2 3.81Å; Y354-V378 HydrophobicContact CE2-CG1 3.92Å; Y354-V378 WeakPolarHBondContact OH-CB 3.13Å; Y354-V378 WeakPolarHBondContact OH-CG1 3.45Å; V362-V378 HydrophobicContact CG1-CG1 4.06Å; F367-V378 HydrophobicContact CE2-CG2 3.76Å; F367-V378 HydrophobicContact CZ-CG2 3.98Å; I376-V378 HydrophobicContact CG2-CG2 4.02Å
379A96.6Very high90.6Very high0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-120.4148.8174.300000110.8F143 V144 V362 T363 W453 L456F143-A379 CarbonylContact O-C 3.59Å; F143-A379 VanDerWaalsContact O-CA 3.27Å; F143-A379 WeakPolarHBondContact O-CA 3.26Å; V144-A379 HydrophobicContact CG2-CB 4.2Å; V362-A379 WeakPolarHBondContact CA-O 3.47Å; T363-A379 HydrophobicContact CG2-CB 4.22Å; T363-A379 PolarHBondContact N-O 3.09Å; T363-A379 PolarHBondContact OG1-N 3.21Å; T363-A379 PolarHBondContact OG1-O 2.98Å; A379-W453 HydrophobicContact CB-CB 3.92Å; A379-W453 HydrophobicContact CB-CG 4.35Å; A379-L456 HydrophobicContact CB-CD1 3.9Å
380G94.8Very high90.6Very high0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-144.7161.7178.600000114.1H142 F143 Y361H142-G380 CarbonylContact C-O 3.6Å; H142-G380 VanDerWaalsContact CA-O 3.26Å; H142-G380 WeakPolarHBondContact CA-O 3.18Å; F143-G380 PolarHBondContact N-O 3.45Å; F143-G380 PolarHBondContact O-N 3.17Å; Y361-G380 CarbonylContact O-C 3.53Å; Y361-G380 WeakPolarHBondContact O-CA 3.06Å
381K94.1Very high90.7Very high93 Ų9347 Ų4740%0.40425%0.246SC..EExtended strand (participates in β ladder)trans-114.9120.1174.5-178.3177.6-179.4-176.90109.1V359 G360 Y361 W453V359-K381 CarbonylContact C-O 3.56Å; V359-K381 WeakPolarHBondContact CG1-O 3.47Å; G360-K381 PolarHBondContact N-O 3.07Å; Y361-K381 PolarHBondContact O-N 3.46Å; K381-W453 HydrophobicContact CB-CZ2 4.23Å; K381-W453 HydrophobicContact CD-CH2 4.47Å; K381-W453 HydrophobicContact CD-CZ2 4.35Å
382L92.9Very high90.8Very high15 Ų1546 Ų468%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-68.8141.4178.1-59.3173.9000110.2V138 G141 F143 S358 V359 L390 L411V138-L382 HydrophobicContact CG1-CD1 4.35Å; G141-L382 WeakPolarHBondContact O-CB 3.21Å; G141-L382 PolarHBondContact O-N 3.48Å; F143-L382 HydrophobicContact CD1-CD2 3.91Å; F143-L382 HydrophobicContact CD1-CG 4.34Å; F143-L382 HydrophobicContact CE1-CD2 4.19Å; S358-L382 WeakPolarHBondContact O-CA 3.36Å; V359-L382 HydrophobicContact CG2-CD2 4.3Å; L382-L390 HydrophobicContact CD2-CD2 4.49Å; L382-L411 HydrophobicContact CD1-CD1 4.12Å; L382-L411 HydrophobicContact CD1-CD2 4.4Å; L382-L411 HydrophobicContact CD2-CD1 4.48Å
383T89.3Confident90.9Very high81 Ų8144.5 Ų44.550%0.49723%0.232SC..SBendtrans-73.9-45.6172.946.40000111N357 S358N357-T383 WeakPolarHBondContact O-CG2 3.25Å; N357-T383 PolarHBondContact O-OG1 3.14Å; S358-T383 WeakPolarHBondContact CA-OG1 3.46Å; S358-T383 PolarHBondContact O-N 2.84Å; S358-T383 PolarHBondContact O-OG1 2.67Å; S358-T383 VanDerWaalsContact O-OG1 3.06Å
384D83.5Confident91Very high77 Ų7744.4 Ų44.441%0.41223%0.23SC..  trans-113.8117.8179-178.38.5000110.2S386 A387D384-S386 PolarHBondContact O-N 2.89Å; D384-S386 WeakPolarHBondContact OD1-CA 3.29Å; D384-S386 WeakPolarHBondContact OD1-CB 3.46Å; D384-S386 PolarHBondContact OD1-N 3.46Å; D384-S386 PolarHBondContact OD1-OG 3.13Å; D384-S386 PolarHBondContact OD2-OG 3.43Å; D384-A387 HydrophobicContact CB-CB 4.49Å; D384-A387 WeakPolarHBondContact O-CB 3.28Å
385R80.4Confident91Very high174 Ų17444 Ų4466%0.65723%0.227SC*.THydrogen-bonded Turntrans-73.6-15.2177-64.8-176.9172.2-167.1-6.8112.9N140N140-R385 PolarHBondContact O-NH2 2.97Å
386S79.6Confident90.9Very high72 Ų7242.8 Ų42.850%0.50322%0.222SC..THydrogen-bonded Turntrans-90.9-6.8-179.575.90000113.7D384 E388 R412D384-S386 PolarHBondContact O-N 2.89Å; D384-S386 WeakPolarHBondContact OD1-CA 3.29Å; D384-S386 WeakPolarHBondContact OD1-CB 3.46Å; D384-S386 PolarHBondContact OD1-N 3.46Å; D384-S386 PolarHBondContact OD1-OG 3.13Å; D384-S386 PolarHBondContact OD2-OG 3.43Å; S386-E388 PolarHBondContact O-N 3.43Å; S386-R412 PolarHBondContact O-NH2 3.32Å
387A83.1Confident90.5Very high21 Ų2143.5 Ų43.517%0.17423%0.227CC..  trans-53132.7178.400000111.7D384 L411D384-A387 HydrophobicContact CB-CB 4.49Å; D384-A387 WeakPolarHBondContact O-CB 3.28Å; A387-L411 HydrophobicContact CB-CD1 3.81Å
388E87.6Confident90Very high127 Ų12742.4 Ų42.459%0.59322%0.221SC*.  trans-85.3-30.1-176-59.8-160.6145.500112.8S386 L411 R412S386-E388 PolarHBondContact O-N 3.43Å; E388-L411 PolarHBondContact O-N 2.86Å; E388-R412 IonicContact OE1-CZ 2.96Å; E388-R412 VanDerWaalsContact OE1-CZ 3.32Å; E388-R412 IonicContact OE1-NH1 2.77Å; E388-R412 PolarHBondContact OE1-NH1 3.28Å; E388-R412 IonicContact OE1-NH2 3.2Å; E388-R412 PolarHBondContact OE1-NH2 2.81Å; E388-R412 VanDerWaalsContact OE1-NH2 3.16Å
389S90.9Very high88.9Confident58 Ų5846.4 Ų46.441%0.40624%0.242SC..EExtended strand (participates in β ladder)trans-145.6159.5-17964.80000113.1V409S389-V409 CarbonylContact C-O 3.59Å; S389-V409 WeakPolarHBondContact CA-O 3.4Å; S389-V409 WeakPolarHBondContact CB-O 3.37Å
390L91.6Very high87.5Confident0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-129.5121175-179.365.8000108.9F143 Y354 V359 L382 V392 V409 L411F143-L390 HydrophobicContact CD1-CD2 4.43Å; F143-L390 HydrophobicContact CE1-CD2 4.28Å; Y354-L390 HydrophobicContact CD1-CD2 3.94Å; Y354-L390 HydrophobicContact CD1-CG 4.45Å; V359-L390 HydrophobicContact CG2-CD1 3.8Å; L382-L390 HydrophobicContact CD2-CD2 4.49Å; L390-V392 HydrophobicContact CD2-CG2 4.21Å; L390-V392 HydrophobicContact CG-CG2 4.1Å; L390-V409 PolarHBondContact N-O 3.32Å; L390-V409 WeakPolarHBondContact O-CB 3.38Å; L390-V409 PolarHBondContact O-N 2.88Å; L390-L411 HydrophobicContact CB-CD1 4.18Å; L390-L411 HydrophobicContact CB-CD2 3.85Å; L390-L411 HydrophobicContact CB-CG 4.07Å; L390-L411 HydrophobicContact CD2-CD2 4.37Å
391H92.4Very high86.6Confident67 Ų6760.1 Ų60.131%0.3130%0.301SS..EExtended strand (participates in β ladder)trans-81.1124.8172179.5-87.7000109.8Y354 T355 E406Y354-H391 WeakPolarHBondContact CA-O 3.44Å; T355-H391 PolarHBondContact N-O 3Å; T355-H391 WeakPolarHBondContact OG1-CA 3.27Å; T355-H391 WeakPolarHBondContact OG1-CB 3.5Å; T355-H391 PolarHBondContact OG1-N 2.6Å; T355-H391 PolarHBondContact OG1-O 3.11Å; T355-H391 VanDerWaalsContact OG1-O 3.1Å; H391-E406 IonicContact NE2-OE2 2.93Å
392V93.9Very high86.1Confident0 Ų061.9 Ų61.90%032%0.315CS..EExtended strand (participates in β ladder)trans-120.3128.9-179.4-175.10000108.8I133 I136 I352 N353 Y354 L390 E406 T407 V409I133-V392 HydrophobicContact CD1-CB 4.07Å; I133-V392 HydrophobicContact CD1-CG1 4.04Å; I136-V392 HydrophobicContact CD1-CG2 3.91Å; I352-V392 HydrophobicContact CG2-CG1 4.38Å; N353-V392 WeakPolarHBondContact O-CA 3.22Å; Y354-V392 HydrophobicContact CD1-CG1 4.31Å; Y354-V392 HydrophobicContact CD1-CG2 3.9Å; Y354-V392 HydrophobicContact CE1-CG1 4.07Å; Y354-V392 HydrophobicContact CE1-CG2 4.11Å; L390-V392 HydrophobicContact CD2-CG2 4.21Å; L390-V392 HydrophobicContact CG-CG2 4.1Å; V392-E406 WeakPolarHBondContact O-CA 3.13Å; V392-T407 PolarHBondContact N-O 3.41Å; V392-T407 PolarHBondContact O-N 3.33Å; V392-V409 HydrophobicContact CB-CG2 4.42Å; V392-V409 HydrophobicContact CG2-CG2 3.75Å
393Q93.9Very high85.8Confident51 Ų5163 Ų6324%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-124.3125.1176.6177.1-171.458.900109.1I352 N353 T395 T404 M405 E406I352-Q393 CarbonylContact C-O 3.57Å; I352-Q393 WeakPolarHBondContact CA-O 3.22Å; N353-Q393 HydrophobicContact CB-CB 4.31Å; N353-Q393 PolarHBondContact N-O 3.02Å; N353-Q393 PolarHBondContact ND2-OE1 3.21Å; N353-Q393 PolarHBondContact O-N 3.2Å; Q393-T395 HydrophobicContact CG-CG2 4.03Å; Q393-T404 HydrophobicContact CG-CG2 4.26Å; Q393-M405 CarbonylContact C-O 3.51Å; Q393-M405 WeakPolarHBondContact CA-O 3.45Å; Q393-E406 HydrophobicContact CB-CG 3.78Å; Q393-E406 HydrophobicContact CG-CG 3.59Å; Q393-E406 PolarHBondContact NE2-OE1 3.15Å
394V93.6Very high85.7Confident3 Ų362.5 Ų62.52%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-111.3117.9171.7-1750000108.2I133 F147 I350 R351 I352 T404 M405I133-V394 HydrophobicContact CB-CG2 4.16Å; I133-V394 HydrophobicContact CG2-CG2 4.12Å; F147-V394 HydrophobicContact CE1-CG1 4.1Å; F147-V394 HydrophobicContact CE2-CG1 4.11Å; F147-V394 HydrophobicContact CZ-CG1 3.79Å; I350-V394 HydrophobicContact CG2-CG1 4.16Å; R351-V394 CarbonylContact O-C 3.38Å; R351-V394 WeakPolarHBondContact O-CA 3.48Å; I352-V394 HydrophobicContact CG1-CG1 4.22Å; I352-V394 HydrophobicContact CG1-CG2 4.2Å; I352-V394 HydrophobicContact CG2-CG2 4.28Å; V394-T404 WeakPolarHBondContact O-CA 3.29Å; V394-M405 HydrophobicContact CB-CB 4.38Å; V394-M405 PolarHBondContact N-O 3.42Å; V394-M405 PolarHBondContact O-N 2.8Å
395T92.8Very high86Confident22 Ų2260.8 Ų60.814%0.13531%0.307CS..EExtended strand (participates in β ladder)trans-111.4136.3172.162.60000109.8I350 R351 Q393 I403 T404I350-T395 CarbonylContact C-O 3.58Å; I350-T395 WeakPolarHBondContact CA-O 3.23Å; R351-T395 WeakPolarHBondContact CB-OG1 3.33Å; R351-T395 PolarHBondContact N-O 3.25Å; R351-T395 PolarHBondContact O-N 3.48Å; Q393-T395 HydrophobicContact CG-CG2 4.03Å; T395-I403 CarbonylContact C-O 3.59Å; T395-I403 VanDerWaalsContact CA-O 3.28Å; T395-I403 WeakPolarHBondContact CA-O 3.33Å; T395-T404 HydrophobicContact CG2-CG2 4.18Å
396A91Very high86.5Confident3 Ų357.5 Ų57.53%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-152160177.600000111.3L347 I350 I403L347-A396 HydrophobicContact CB-CB 4.13Å; L347-A396 HydrophobicContact CD1-CB 4.01Å; L347-A396 HydrophobicContact CD2-CB 3.93Å; L347-A396 HydrophobicContact CG-CB 4.27Å; I350-A396 HydrophobicContact CB-CB 4.42Å; I350-A396 HydrophobicContact CG1-CB 3.91Å; A396-I403 PolarHBondContact N-O 2.89Å; A396-I403 PolarHBondContact O-N 3.44Å
397S86.8Confident87.1Confident23 Ų2356.8 Ų56.816%0.16129%0.292CS..EExtended strand (participates in β ladder)trans-102136.4173.1-178.60000111.6N260 L347 S348N260-S397 PolarHBondContact ND2-OG 2.9Å; N260-S397 PolarHBondContact OD1-OG 3.34Å; L347-S397 WeakPolarHBondContact CA-O 3.42Å; S348-S397 PolarHBondContact N-O 3.03Å; S348-S397 PolarHBondContact O-N 3.18Å
398N84.8Confident87.5Confident4 Ų459.9 Ų59.92%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-141.4116.6169.3-176.1-56.1000109.8P153 L346 L347 D400 R401 I403P153-N398 WeakPolarHBondContact CG-OD1 3.41Å; P153-N398 PolarHBondContact O-ND2 3.32Å; L346-N398 PolarHBondContact O-ND2 2.96Å; L347-N398 HydrophobicContact CD2-CB 4.05Å; N398-D400 PolarHBondContact O-N 3.15Å; N398-R401 PolarHBondContact N-O 2.93Å; N398-R401 WeakPolarHBondContact O-CA 3.27Å; N398-R401 VanDerWaalsContact O-CB 3.29Å; N398-R401 WeakPolarHBondContact O-CB 3.35Å; N398-R401 PolarHBondContact O-N 3.09Å; N398-I403 HydrophobicContact CB-CD1 3.54Å; N398-I403 HydrophobicContact CB-CG1 4.36Å
399N72.8Confident87.6Confident84 Ų8454.3 Ų54.345%0.44928%0.283SS..THydrogen-bonded Turntrans37.557.8176.6-154.148.4000115.6N260 R401N260-N399 WeakPolarHBondContact ND2-CA 3.31Å; N260-N399 PolarHBondContact ND2-N 3.07Å; N399-R401 VanDerWaalsContact C-N 3.26Å; N399-R401 PolarHBondContact O-N 3.35Å
400D66.9Low87.7Confident101 Ų10154.6 Ų54.654%0.5428%0.283SS..THydrogen-bonded Turntrans72.67.1-179.2-59.6-54.2000115.4P259 N260 N398P259-D400 WeakPolarHBondContact CG-OD1 3.43Å; N260-D400 WeakPolarHBondContact CB-OD1 3.37Å; N260-D400 VanDerWaalsContact CG-OD1 3.27Å; N260-D400 PolarHBondContact ND2-N 2.83Å; N260-D400 PolarHBondContact OD1-N 3.46Å; N260-D400 PolarHBondContact OD1-OD1 3.04Å; N398-D400 PolarHBondContact O-N 3.15Å
401R75.9Confident87.7Confident186 Ų18654.9 Ų54.970%0.70229%0.285SS*.EExtended strand (participates in β ladder)trans-104.1121.4175.8-56.4-178.9-179.9-176.3-1109.3N398 N399 I403N398-R401 PolarHBondContact N-O 2.93Å; N398-R401 WeakPolarHBondContact O-CA 3.27Å; N398-R401 VanDerWaalsContact O-CB 3.29Å; N398-R401 WeakPolarHBondContact O-CB 3.35Å; N398-R401 PolarHBondContact O-N 3.09Å; N399-R401 VanDerWaalsContact C-N 3.26Å; N399-R401 PolarHBondContact O-N 3.35Å; R401-I403 PolarHBondContact O-N 3.5Å
402L84.3Confident87.5Confident131 Ų13158.7 Ų58.769%0.68630%0.296SS*.EExtended strand (participates in β ladder)trans-72.1115.7161.6-174.667.4000107.8
403I86.2Confident87.4Confident38 Ų3866.4 Ų66.420%0.19533%0.326CS..EExtended strand (participates in β ladder)trans-92.9119.5171.6-62.1173.2000106.8L152 L347 T395 A396 N398 R401 M405L152-I403 HydrophobicContact CD2-CD1 4.32Å; L347-I403 HydrophobicContact CD2-CD1 3.7Å; T395-I403 CarbonylContact C-O 3.59Å; T395-I403 VanDerWaalsContact CA-O 3.28Å; T395-I403 WeakPolarHBondContact CA-O 3.33Å; A396-I403 PolarHBondContact N-O 2.89Å; A396-I403 PolarHBondContact O-N 3.44Å; N398-I403 HydrophobicContact CB-CD1 3.54Å; N398-I403 HydrophobicContact CB-CG1 4.36Å; R401-I403 PolarHBondContact O-N 3.5Å; I403-M405 HydrophobicContact CG2-CE 3.63Å; I403-M405 HydrophobicContact CG2-CG 4.02Å
404T88.9Confident87.3Confident70 Ų7064.9 Ų64.943%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-117.8122.3171.3-58.40000108.3Q393 V394 T395 E406Q393-T404 HydrophobicContact CG-CG2 4.26Å; V394-T404 WeakPolarHBondContact O-CA 3.29Å; T395-T404 HydrophobicContact CG2-CG2 4.18Å; T404-E406 HydrophobicContact CG2-CG 4.03Å; T404-E406 VanDerWaalsContact CG2-OE1 3.28Å; T404-E406 WeakPolarHBondContact CG2-OE1 3.33Å
405M89.5Confident87.2Confident41 Ų4167.4 Ų67.420%0.20233%0.331CS..EExtended strand (participates in β ladder)trans-117.6124.8174-55.7-177.6-176.700108I133 F147 Q393 V394 I403I133-M405 HydrophobicContact CG2-CB 3.78Å; F147-M405 HydrophobicContact CE2-SD 4.4Å; Q393-M405 CarbonylContact C-O 3.51Å; Q393-M405 WeakPolarHBondContact CA-O 3.45Å; V394-M405 HydrophobicContact CB-CB 4.38Å; V394-M405 PolarHBondContact N-O 3.42Å; V394-M405 PolarHBondContact O-N 2.8Å; I403-M405 HydrophobicContact CG2-CE 3.63Å; I403-M405 HydrophobicContact CG2-CG 4.02Å
406E90.9Very high87.1Confident106 Ų10669.1 Ų69.150%0.49535%0.347SS..EExtended strand (participates in β ladder)trans-131.1141.5-178.6-75.4173.9-158.100110H391 V392 Q393 T404H391-E406 IonicContact NE2-OE2 2.93Å; V392-E406 WeakPolarHBondContact O-CA 3.13Å; Q393-E406 HydrophobicContact CB-CG 3.78Å; Q393-E406 HydrophobicContact CG-CG 3.59Å; Q393-E406 PolarHBondContact NE2-OE1 3.15Å; T404-E406 HydrophobicContact CG2-CG 4.03Å; T404-E406 VanDerWaalsContact CG2-OE1 3.28Å; T404-E406 WeakPolarHBondContact CG2-OE1 3.33Å
407T91.4Very high87.1Confident57 Ų5771.8 Ų71.835%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-154.1156172.1-168.20000111.4I133 V392 V409I133-T407 HydrophobicContact CB-CG2 4.37Å; I133-T407 HydrophobicContact CD1-CG2 3.2Å; I133-T407 HydrophobicContact CG1-CG2 3.5Å; I133-T407 HydrophobicContact CG2-CG2 4.03Å; V392-T407 PolarHBondContact N-O 3.41Å; V392-T407 PolarHBondContact O-N 3.33Å; T407-V409 HydrophobicContact CG2-CG2 3.72Å
408V90.6Very high87.3Confident85 Ų8570.9 Ų70.952%0.51535%0.352SS..EExtended strand (participates in β ladder)trans-103.3111.7171.6179.10000107.9
409V90.3Very high87.6Confident11 Ų1173.6 Ų73.67%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-92.6122.4-171.8-174.90000110I133 I136 S389 L390 V392 T407 L411 L414I133-V409 HydrophobicContact CD1-CG2 4.11Å; I136-V409 HydrophobicContact CD1-CG1 4.41Å; I136-V409 HydrophobicContact CD1-CG2 3.84Å; S389-V409 CarbonylContact C-O 3.59Å; S389-V409 WeakPolarHBondContact CA-O 3.4Å; S389-V409 WeakPolarHBondContact CB-O 3.37Å; L390-V409 PolarHBondContact N-O 3.32Å; L390-V409 WeakPolarHBondContact O-CB 3.38Å; L390-V409 PolarHBondContact O-N 2.88Å; V392-V409 HydrophobicContact CB-CG2 4.42Å; V392-V409 HydrophobicContact CG2-CG2 3.75Å; T407-V409 HydrophobicContact CG2-CG2 3.72Å; V409-L411 PolarHBondContact O-N 3.08Å; V409-L414 HydrophobicContact CG1-CD1 3.09Å; V409-L414 HydrophobicContact CG1-CG 4.01Å
410P92.6Very high88.3Confident63 Ų6376.8 Ų76.841%0.40938%0.375SS..EExtended strand (participates in β ladder)trans-78.3101.6179.130.6-33.4000111.4R412 R413 L414P410-R412 PolarHBondContact O-N 3.48Å; P410-R413 HydrophobicContact CB-CB 4.13Å; P410-R413 HydrophobicContact CG-CB 4.11Å; P410-R413 PolarHBondContact O-N 2.9Å; P410-L414 PolarHBondContact O-N 3.14Å; P410-L414 VanDerWaalsContact O-N 3.13Å
411L91.3Very high89.3Confident7 Ų774.2 Ų74.24%0.03736%0.36CS..Hα-helixtrans-62-43-171.5-69.3175.2000113.1V138 L382 A387 E388 L390 V409 R413 L414 Q415V138-L411 HydrophobicContact CG1-CD2 4.36Å; V138-L411 HydrophobicContact CG2-CD2 3.98Å; L382-L411 HydrophobicContact CD1-CD1 4.12Å; L382-L411 HydrophobicContact CD1-CD2 4.4Å; L382-L411 HydrophobicContact CD2-CD1 4.48Å; A387-L411 HydrophobicContact CB-CD1 3.81Å; E388-L411 PolarHBondContact O-N 2.86Å; L390-L411 HydrophobicContact CB-CD1 4.18Å; L390-L411 HydrophobicContact CB-CD2 3.85Å; L390-L411 HydrophobicContact CB-CG 4.07Å; L390-L411 HydrophobicContact CD2-CD2 4.37Å; V409-L411 PolarHBondContact O-N 3.08Å; L411-R413 VanDerWaalsContact C-N 3.33Å; L411-R413 PolarHBondContact O-N 3.38Å; L411-L414 PolarHBondContact O-N 3.2Å; L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 3.04Å
412R90.3Very high89.7Confident146 Ų14666.2 Ų66.255%0.55133%0.331SS*.Hα-helixtrans-63.6-38.2180-69.4-169.7-176.3143.110.8112.7S386 E388 P410 A416S386-R412 PolarHBondContact O-NH2 3.32Å; E388-R412 IonicContact OE1-CZ 2.96Å; E388-R412 VanDerWaalsContact OE1-CZ 3.32Å; E388-R412 IonicContact OE1-NH1 2.77Å; E388-R412 PolarHBondContact OE1-NH1 3.28Å; E388-R412 IonicContact OE1-NH2 3.2Å; E388-R412 PolarHBondContact OE1-NH2 2.81Å; E388-R412 VanDerWaalsContact OE1-NH2 3.16Å; P410-R412 PolarHBondContact O-N 3.48Å; R412-A416 PolarHBondContact O-N 2.84Å; R412-A416 VanDerWaalsContact O-N 3.13Å
413R91.8Very high89.8Confident162 Ų16266.4 Ų66.461%0.61133%0.327SS*.Hα-helixtrans-67.6-49.5178.4179.2-178168.5-171.6-5.9110.3P410 L411 Q415 A416 E417P410-R413 HydrophobicContact CB-CB 4.13Å; P410-R413 HydrophobicContact CG-CB 4.11Å; P410-R413 PolarHBondContact O-N 2.9Å; L411-R413 VanDerWaalsContact C-N 3.33Å; L411-R413 PolarHBondContact O-N 3.38Å; R413-Q415 VanDerWaalsContact C-N 3.3Å; R413-Q415 PolarHBondContact O-N 3.47Å; R413-A416 PolarHBondContact O-N 2.96Å; R413-E417 IonicContact CZ-OE1 2.86Å; R413-E417 IonicContact NE-OE1 3.57Å; R413-E417 PolarHBondContact NE-OE1 2.81Å; R413-E417 IonicContact NH2-OE1 3.68Å; R413-E417 PolarHBondContact NH2-OE1 3.26Å; R413-E417 VanDerWaalsContact NH2-OE1 3.11Å; R413-E417 WeakPolarHBondContact O-CG 3.33Å; R413-E417 PolarHBondContact O-N 3.41Å
414L90.8Very high89.6Confident20 Ų2066.4 Ų66.411%0.10533%0.332CS..Hα-helixtrans-60.1-41.5177.6-72.1-171.5000111.9I136 V138 V409 P410 L411 A416 E417 T418I136-L414 HydrophobicContact CB-CD1 3.91Å; I136-L414 HydrophobicContact CG2-CD1 3.88Å; I136-L414 WeakPolarHBondContact O-CD1 3.2Å; V138-L414 HydrophobicContact CB-CB 4.27Å; V138-L414 HydrophobicContact CG2-CB 3.95Å; V138-L414 HydrophobicContact CG2-CD1 3.96Å; V409-L414 HydrophobicContact CG1-CD1 3.09Å; V409-L414 HydrophobicContact CG1-CG 4.01Å; P410-L414 PolarHBondContact O-N 3.14Å; P410-L414 VanDerWaalsContact O-N 3.13Å; L411-L414 PolarHBondContact O-N 3.2Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.02Å; L414-E417 PolarHBondContact O-N 3.47Å; L414-T418 WeakPolarHBondContact O-CB 3.49Å; L414-T418 PolarHBondContact O-N 2.93Å; L414-T418 PolarHBondContact O-OG1 3.3Å; L414-T418 VanDerWaalsContact O-OG1 3.06Å
415Q91.8Very high89.2Confident56 Ų5664 Ų6426%0.26232%0.319SS..Hα-helixtrans-59.7-45176.5-175.9179.2-2000111.9V138 L411 R413 E417 T418 E419V138-Q415 HydrophobicContact CB-CB 4.5Å; V138-Q415 HydrophobicContact CG1-CB 4.42Å; V138-Q415 WeakPolarHBondContact O-CA 3.43Å; L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 3.04Å; R413-Q415 VanDerWaalsContact C-N 3.3Å; R413-Q415 PolarHBondContact O-N 3.47Å; Q415-E417 VanDerWaalsContact C-N 3.34Å; Q415-E417 PolarHBondContact O-N 3.47Å; Q415-T418 PolarHBondContact O-N 2.85Å; Q415-E419 HydrophobicContact CG-CG 4.38Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.34Å; Q415-E419 PolarHBondContact NE2-OE1 3.31Å; Q415-E419 WeakPolarHBondContact O-CB 3.26Å; Q415-E419 VanDerWaalsContact O-CG 3.26Å; Q415-E419 WeakPolarHBondContact O-CG 3.38Å; Q415-E419 PolarHBondContact O-N 2.94Å
416A91.3Very high88.6Confident58 Ų5863.9 Ų63.948%0.47932%0.321SS..Hα-helixtrans-63.8-38.4176.800000112.6R412 R413 L414 K420R412-A416 PolarHBondContact O-N 2.84Å; R412-A416 VanDerWaalsContact O-N 3.13Å; R413-A416 PolarHBondContact O-N 2.96Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.02Å; A416-K420 WeakPolarHBondContact O-CB 3.39Å; A416-K420 PolarHBondContact O-N 3.49Å; A416-K420 VanDerWaalsContact O-N 3.09Å
417E90.6Very high88Confident59 Ų5961.7 Ų61.728%0.27632%0.321SS..Hα-helixtrans-65.8-47.5175.4-72.8174.3-178.500111.2R413 L414 Q415 K420 H421R413-E417 IonicContact CZ-OE1 2.86Å; R413-E417 IonicContact NE-OE1 3.57Å; R413-E417 PolarHBondContact NE-OE1 2.81Å; R413-E417 IonicContact NH2-OE1 3.68Å; R413-E417 PolarHBondContact NH2-OE1 3.26Å; R413-E417 VanDerWaalsContact NH2-OE1 3.11Å; R413-E417 WeakPolarHBondContact O-CG 3.33Å; R413-E417 PolarHBondContact O-N 3.41Å; L414-E417 PolarHBondContact O-N 3.47Å; Q415-E417 VanDerWaalsContact C-N 3.34Å; Q415-E417 PolarHBondContact O-N 3.47Å; E417-K420 WeakPolarHBondContact O-CB 3.42Å; E417-K420 PolarHBondContact O-N 3.47Å; E417-H421 PolarHBondContact O-N 2.92Å; E417-H421 PolarHBondContact O-ND1 2.81Å
418T90.4Very high87.1Confident3 Ų360.4 Ų60.42%0.01831%0.313CS..Hα-helixtrans-61.6-45.2175.7-57.70000111.3Q56 Q137 V138 L139 L414 Q415 K420 H421 V422 F448 V449Q56-T418 PolarHBondContact OE1-OG1 3.18Å; Q56-T418 VanDerWaalsContact OE1-OG1 3.09Å; Q137-T418 HydrophobicContact CB-CG2 4.42Å; V138-T418 PolarHBondContact N-OG1 2.89Å; V138-T418 WeakPolarHBondContact O-CB 3.49Å; L139-T418 HydrophobicContact CB-CG2 4.25Å; L139-T418 HydrophobicContact CD2-CG2 4.48Å; L414-T418 WeakPolarHBondContact O-CB 3.49Å; L414-T418 PolarHBondContact O-N 2.93Å; L414-T418 PolarHBondContact O-OG1 3.3Å; L414-T418 VanDerWaalsContact O-OG1 3.06Å; Q415-T418 PolarHBondContact O-N 2.85Å; T418-K420 VanDerWaalsContact C-N 3.29Å; T418-K420 PolarHBondContact O-N 2.68Å; T418-H421 PolarHBondContact O-N 3Å; T418-V422 HydrophobicContact CG2-CG2 4.38Å; T418-V422 WeakPolarHBondContact O-CG2 3.28Å; T418-V422 PolarHBondContact O-N 3.12Å; T418-F448 HydrophobicContact CG2-CE1 3.75Å; T418-F448 HydrophobicContact CG2-CZ 3.84Å; T418-V449 HydrophobicContact CG2-CG2 4.3Å
419E90.4Very high85.9Confident61 Ų6157.4 Ų57.429%0.28530%0.295SS..Hα-helixtrans-59.3-37.7177-79.3178.1-163.300112.8L139 Q415 V422 K423L139-E419 HydrophobicContact CD1-CG 3.46Å; L139-E419 VanDerWaalsContact CD1-CG 3.46Å; Q415-E419 HydrophobicContact CG-CG 4.38Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.34Å; Q415-E419 PolarHBondContact NE2-OE1 3.31Å; Q415-E419 WeakPolarHBondContact O-CB 3.26Å; Q415-E419 VanDerWaalsContact O-CG 3.26Å; Q415-E419 WeakPolarHBondContact O-CG 3.38Å; Q415-E419 PolarHBondContact O-N 2.94Å; E419-V422 PolarHBondContact O-N 3.49Å; E419-K423 WeakPolarHBondContact O-CB 3.45Å; E419-K423 VanDerWaalsContact O-CG 3.27Å; E419-K423 WeakPolarHBondContact O-CG 3.49Å; E419-K423 PolarHBondContact O-N 3.39Å
420K89.2Confident84.2Confident152 Ų15259 Ų5966%0.66131%0.314SS*.Hα-helixtrans-61.4-45.7176.4179.9-172.8172.3-169.50111.3A416 E417 T418 K423 A424A416-K420 WeakPolarHBondContact O-CB 3.39Å; A416-K420 PolarHBondContact O-N 3.49Å; A416-K420 VanDerWaalsContact O-N 3.09Å; E417-K420 WeakPolarHBondContact O-CB 3.42Å; E417-K420 PolarHBondContact O-N 3.47Å; T418-K420 VanDerWaalsContact C-N 3.29Å; T418-K420 PolarHBondContact O-N 2.68Å; K420-K423 PolarHBondContact O-N 3.42Å; K420-A424 PolarHBondContact O-N 2.91Å; K420-A424 VanDerWaalsContact O-N 3.1Å
421H85.9Confident82.2Confident47 Ų4761.3 Ų61.322%0.21833%0.331CS..Hα-helixtrans-70-39.2179.9-66.491.9000111.7V54 D55 E417 T418 K423 A424 A425V54-H421 HydrophobicContact CG1-CB 4.18Å; D55-H421 PolarHBondContact O-CD2 2.82Å; E417-H421 PolarHBondContact O-N 2.92Å; E417-H421 PolarHBondContact O-ND1 2.81Å; T418-H421 PolarHBondContact O-N 3Å; H421-K423 VanDerWaalsContact C-N 3.34Å; H421-K423 PolarHBondContact O-N 3.01Å; H421-A424 WeakPolarHBondContact O-CB 3.28Å; H421-A424 PolarHBondContact O-N 2.84Å; H421-A424 VanDerWaalsContact O-N 3.15Å; H421-A425 PolarHBondContact O-N 3.3Å
422V85.9Confident80Confident18 Ų1864.2 Ų64.211%0.10936%0.363CS..Hα-helixtrans-60.5-42173170.50000111.6L139 T418 E419 A424 A425 T426 F448L139-V422 HydrophobicContact CD2-CG2 4.07Å; T418-V422 HydrophobicContact CG2-CG2 4.38Å; T418-V422 WeakPolarHBondContact O-CG2 3.28Å; T418-V422 PolarHBondContact O-N 3.12Å; E419-V422 PolarHBondContact O-N 3.49Å; V422-A424 VanDerWaalsContact C-N 3.33Å; V422-A424 PolarHBondContact O-N 3.24Å; V422-A425 PolarHBondContact O-N 3.31Å; V422-T426 HydrophobicContact CG1-CG2 4.25Å; V422-T426 WeakPolarHBondContact O-CB 3.4Å; V422-T426 VanDerWaalsContact O-CG2 3.29Å; V422-T426 WeakPolarHBondContact O-CG2 3.26Å; V422-T426 PolarHBondContact O-N 3.45Å; V422-T426 PolarHBondContact O-OG1 2.84Å; V422-F448 HydrophobicContact CG2-CD1 3.71Å; V422-F448 HydrophobicContact CG2-CE1 3.4Å
423K85.1Confident77.8Confident135 Ų13559.9 Ų59.959%0.58735%0.352SS*.Hα-helixtrans-61.5-40.2174-76.3171-174.4167.90112E419 K420 H421 T426 A427E419-K423 WeakPolarHBondContact O-CB 3.45Å; E419-K423 VanDerWaalsContact O-CG 3.27Å; E419-K423 WeakPolarHBondContact O-CG 3.49Å; E419-K423 PolarHBondContact O-N 3.39Å; K420-K423 PolarHBondContact O-N 3.42Å; H421-K423 VanDerWaalsContact C-N 3.34Å; H421-K423 PolarHBondContact O-N 3.01Å; K423-T426 WeakPolarHBondContact CA-OG1 3.27Å; K423-T426 PolarHBondContact O-OG1 3.38Å; K423-T426 VanDerWaalsContact O-OG1 3.09Å; K423-A427 VanDerWaalsContact O-CB 3.31Å; K423-A427 WeakPolarHBondContact O-CB 3.48Å; K423-A427 PolarHBondContact O-N 3.39Å
424A82.8Confident75.5Confident38 Ų3857.1 Ų57.131%0.31435%0.354SS..Hα-helixtrans-64.2-44.7175.400000111.8V97 K420 H421 V422 V428V97-A424 HydrophobicContact CG2-CB 4.07Å; K420-A424 PolarHBondContact O-N 2.91Å; K420-A424 VanDerWaalsContact O-N 3.1Å; H421-A424 WeakPolarHBondContact O-CB 3.28Å; H421-A424 PolarHBondContact O-N 2.84Å; H421-A424 VanDerWaalsContact O-N 3.15Å; V422-A424 VanDerWaalsContact C-N 3.33Å; V422-A424 PolarHBondContact O-N 3.24Å; A424-V428 PolarHBondContact O-N 2.89Å
425A79.5Confident73.4Confident18 Ų1863.7 Ų63.715%0.14938%0.384CS..Hα-helixtrans-61.8-48.9176.800000112.3V54 H421 V422 A427 V428 V429V54-A425 HydrophobicContact CB-CB 4.09Å; V54-A425 HydrophobicContact CG1-CB 4.3Å; V54-A425 HydrophobicContact CG2-CB 3.75Å; H421-A425 PolarHBondContact O-N 3.3Å; V422-A425 PolarHBondContact O-N 3.31Å; A425-A427 PolarHBondContact O-N 2.85Å; A425-V428 PolarHBondContact O-N 3.49Å; A425-V429 WeakPolarHBondContact O-CG2 3.47Å; A425-V429 PolarHBondContact O-N 2.94Å; A425-V429 VanDerWaalsContact O-N 3.15Å
426T78.6Confident71.3Confident40 Ų4062.4 Ų62.425%0.24539%0.386CS..Hα-helixtrans-65.8-35.1-178.751.20000112.8V422 K423 V428 V429 G430 A445V422-T426 HydrophobicContact CG1-CG2 4.25Å; V422-T426 WeakPolarHBondContact O-CB 3.4Å; V422-T426 VanDerWaalsContact O-CG2 3.29Å; V422-T426 WeakPolarHBondContact O-CG2 3.26Å; V422-T426 PolarHBondContact O-N 3.45Å; V422-T426 PolarHBondContact O-OG1 2.84Å; K423-T426 WeakPolarHBondContact CA-OG1 3.27Å; K423-T426 PolarHBondContact O-OG1 3.38Å; K423-T426 VanDerWaalsContact O-OG1 3.09Å; T426-V428 VanDerWaalsContact C-N 3.34Å; T426-V428 PolarHBondContact O-N 2.76Å; T426-V429 PolarHBondContact O-N 2.94Å; T426-G430 PolarHBondContact O-N 3.09Å; T426-A445 HydrophobicContact CG2-CB 3.87Å
427A78Confident69.3Low59 Ų5964.5 Ų64.549%0.48838%0.381SS..Hα-helixtrans-63.1-39.1176.800000112.7K423 A425 S431K423-A427 VanDerWaalsContact O-CB 3.31Å; K423-A427 WeakPolarHBondContact O-CB 3.48Å; K423-A427 PolarHBondContact O-N 3.39Å; A425-A427 PolarHBondContact O-N 2.85Å; A427-S431 PolarHBondContact O-N 3.29Å; A427-S431 PolarHBondContact O-OG 2.92Å
428V72Confident67.6Low31 Ų3162.2 Ų62.219%0.18837%0.373CS..Hα-helixtrans-69.4-46.1177173.60000110.9T52 V97 K99 A424 A425 T426 G430 S431 G432T52-V428 HydrophobicContact CG2-CB 4.28Å; T52-V428 HydrophobicContact CG2-CG1 3.83Å; V97-V428 HydrophobicContact CG1-CG2 4.01Å; K99-V428 HydrophobicContact CD-CG1 3.93Å; K99-V428 VanDerWaalsContact CE-CG1 3.45Å; K99-V428 HydrophobicContact CG-CG1 4.28Å; A424-V428 PolarHBondContact O-N 2.89Å; A425-V428 PolarHBondContact O-N 3.49Å; T426-V428 VanDerWaalsContact C-N 3.34Å; T426-V428 PolarHBondContact O-N 2.76Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 3.21Å; V428-S431 PolarHBondContact O-N 3.5Å; V428-G432 PolarHBondContact O-N 3.41Å
429V65.3Low66.1Low21 Ų2166 Ų6613%0.12740%0.4CS..Hα-helixtrans-63-38.3179.9166.70000112.3A425 T426 S431 L441A425-V429 WeakPolarHBondContact O-CG2 3.47Å; A425-V429 PolarHBondContact O-N 2.94Å; A425-V429 VanDerWaalsContact O-N 3.15Å; T426-V429 PolarHBondContact O-N 2.94Å; V429-S431 VanDerWaalsContact C-N 3.31Å; V429-S431 PolarHBondContact O-N 3.37Å; V429-L441 HydrophobicContact CB-CD2 4.41Å; V429-L441 HydrophobicContact CG1-CB 3.63Å; V429-L441 HydrophobicContact CG1-CD2 3.49Å; V429-L441 VanDerWaalsContact CG1-CD2 3.49Å; V429-L441 HydrophobicContact CG1-CG 3.92Å; V429-L441 HydrophobicContact CG2-CD2 4.02Å
430G54.8Low64.8Low46 Ų4666 Ų6647%0.47441%0.406SS..Hα-helixtrans-71.7-20.1178.800000114.8T426 V428T426-G430 PolarHBondContact O-N 3.09Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 3.21Å
431S50.2Low63.7Low111 Ų11162.2 Ų62.278%0.77639%0.393SS*.Hα-helixtrans-94.9-22.1-174-56.20000113.9A427 V428 V429A427-S431 PolarHBondContact O-N 3.29Å; A427-S431 PolarHBondContact O-OG 2.92Å; V428-S431 PolarHBondContact O-N 3.5Å; V429-S431 VanDerWaalsContact C-N 3.31Å; V429-S431 PolarHBondContact O-N 3.37Å
432G45.1Very low62.9Low67 Ų6760.5 Ų60.569%0.69139%0.388SS*.Hα-helixtrans-107.3-14.5-170.700000116.4V428V428-G432 PolarHBondContact O-N 3.41Å
433V44.1Very low62.3Low56 Ų5662.9 Ų62.934%0.33941%0.406SS..SBendtrans-114.7143.2-172.3-161.20000110.3Q435 W437V433-Q435 PolarHBondContact O-N 2.76Å; V433-W437 HydrophobicContact CB-CB 4.2Å; V433-W437 HydrophobicContact CG1-CB 3.41Å; V433-W437 VanDerWaalsContact CG1-CB 3.41Å; V433-W437 HydrophobicContact CG1-CD2 4.25Å; V433-W437 HydrophobicContact CG1-CE3 3.96Å; V433-W437 HydrophobicContact CG1-CG 4.09Å
434T44.5Very low61.9Low104 Ų10458 Ų5864%0.63839%0.387SS*.  trans-36.6126.1174.649.50000110.7G436 W437T434-G436 PolarHBondContact O-N 3.19Å; T434-W437 PolarHBondContact O-N 3.41Å
435Q47Very low61.5Low158 Ų15857.4 Ų57.474%0.73838%0.382SS*.THydrogen-bonded Turntrans-44-18-165.8-82.2173.3-29.600117.2V433V433-Q435 PolarHBondContact O-N 2.76Å
436G45.8Very low61.6Low29 Ų2958.3 Ų58.330%0.29939%0.39SS..THydrogen-bonded Turntrans-86.4-20.4172.900000117.1T434 S439T434-G436 PolarHBondContact O-N 3.19Å; G436-S439 PolarHBondContact O-OG 3.03Å
437W49.8Very low62Low102 Ų10259 Ų5939%0.38639%0.392SS..Hα-helixtrans-90.3-34.6-179.4-94.140.2000113.3L18 V433 T434 S439 S440 L441L18-W437 HydrophobicContact CB-CZ2 3.74Å; L18-W437 VanDerWaalsContact CD1-NE1 3.33Å; L18-W437 HydrophobicContact CD2-CZ2 3.45Å; L18-W437 VanDerWaalsContact CD2-CZ2 3.45Å; L18-W437 VanDerWaalsContact CD2-NE1 3.3Å; L18-W437 HydrophobicContact CG-CZ2 4.03Å; V433-W437 HydrophobicContact CB-CB 4.2Å; V433-W437 HydrophobicContact CG1-CB 3.41Å; V433-W437 VanDerWaalsContact CG1-CB 3.41Å; V433-W437 HydrophobicContact CG1-CD2 4.25Å; V433-W437 HydrophobicContact CG1-CE3 3.96Å; V433-W437 HydrophobicContact CG1-CG 4.09Å; T434-W437 PolarHBondContact O-N 3.41Å; W437-S439 PolarHBondContact O-N 2.87Å; W437-S440 PolarHBondContact O-N 3.19Å; W437-L441 WeakPolarHBondContact O-CB 3.48Å; W437-L441 PolarHBondContact O-N 3.12Å
438G55.7Low62.6Low10 Ų1058.7 Ų58.710%0.10338%0.38CS..Hα-helixtrans-58.4-32.1-179.900000112.6G442G438-G442 WeakPolarHBondContact O-CA 3.38Å; G438-G442 PolarHBondContact O-N 2.9Å
439S58.5Low63.6Low83 Ų8357.2 Ų57.258%0.5837%0.371SS*.Hα-helixtrans-73-43.3177.4600000113.2G436 W437 S443G436-S439 PolarHBondContact O-OG 3.03Å; W437-S439 PolarHBondContact O-N 2.87Å; S439-S443 WeakPolarHBondContact O-CB 3.44Å; S439-S443 PolarHBondContact O-N 3.08Å
440S63.6Low65Low60 Ų6059 Ų5942%0.4238%0.378SS..Hα-helixtrans-69.7-44.8178.6-1710000111.7W437 G442 S443 V444W437-S440 PolarHBondContact O-N 3.19Å; S440-G442 VanDerWaalsContact C-N 3.33Å; S440-S443 PolarHBondContact O-N 3.32Å; S440-V444 WeakPolarHBondContact O-CG2 3.28Å; S440-V444 PolarHBondContact O-N 3.26Å
441L66.2Low66.8Low73 Ų7359 Ų5938%0.38236%0.363SS..Hα-helixtrans-69.6-34.8178.2-156.279.3000110.9V429 W437 V444 A445V429-L441 HydrophobicContact CB-CD2 4.41Å; V429-L441 HydrophobicContact CG1-CB 3.63Å; V429-L441 HydrophobicContact CG1-CD2 3.49Å; V429-L441 VanDerWaalsContact CG1-CD2 3.49Å; V429-L441 HydrophobicContact CG1-CG 3.92Å; V429-L441 HydrophobicContact CG2-CD2 4.02Å; W437-L441 WeakPolarHBondContact O-CB 3.48Å; W437-L441 PolarHBondContact O-N 3.12Å; L441-V444 PolarHBondContact O-N 2.78Å; L441-A445 WeakPolarHBondContact O-CB 3.29Å; L441-A445 PolarHBondContact O-N 3.45Å
442G68.3Low69Low12 Ų1254.7 Ų54.712%0.12433%0.333CS..Hα-helixtrans-63.5-38.7171.500000113.1G438 S440 A445 A446G438-G442 WeakPolarHBondContact O-CA 3.38Å; G438-G442 PolarHBondContact O-N 2.9Å; S440-G442 VanDerWaalsContact C-N 3.33Å; G442-A445 PolarHBondContact O-N 3.44Å; G442-A446 WeakPolarHBondContact O-CB 3.42Å; G442-A446 PolarHBondContact O-N 3.49Å
443S73.8Confident71.4Confident68 Ų6852.7 Ų52.748%0.47630%0.304SS..Hα-helixtrans-66-42.9174.6-177.50000112.3S439 S440 A446 D447S439-S443 WeakPolarHBondContact O-CB 3.44Å; S439-S443 PolarHBondContact O-N 3.08Å; S440-S443 PolarHBondContact O-N 3.32Å; S443-A446 PolarHBondContact O-N 3.46Å; S443-D447 PolarHBondContact O-N 3.44Å
444V75.6Confident73.8Confident32 Ų3250 Ų5019%0.19429%0.288CS..Hα-helixtrans-62.1-44.2174.9171.30000111.3M20 E22 S440 L441 A446 D447 F448M20-V444 HydrophobicContact CE-CG2 4.09Å; M20-V444 HydrophobicContact SD-CG2 4.03Å; E22-V444 WeakPolarHBondContact OE1-CG1 3.32Å; S440-V444 WeakPolarHBondContact O-CG2 3.28Å; S440-V444 PolarHBondContact O-N 3.26Å; L441-V444 PolarHBondContact O-N 2.78Å; V444-A446 VanDerWaalsContact C-N 3.31Å; V444-A446 PolarHBondContact O-N 2.92Å; V444-D447 PolarHBondContact O-N 3.43Å; V444-F448 PolarHBondContact O-N 2.93Å
445A75.7Confident76.2Confident25 Ų2546.9 Ų46.921%0.20727%0.266CS..Hα-helixtrans-64.5-35.2176.400000112.3T426 L441 G442 D447 F448T426-A445 HydrophobicContact CG2-CB 3.87Å; L441-A445 WeakPolarHBondContact O-CB 3.29Å; L441-A445 PolarHBondContact O-N 3.45Å; G442-A445 PolarHBondContact O-N 3.44Å; A445-D447 VanDerWaalsContact C-N 3.26Å; A445-D447 PolarHBondContact O-N 2.91Å; A445-F448 WeakPolarHBondContact O-CD1 3.34Å; A445-F448 PolarHBondContact O-N 3.4Å
446A81.1Confident78.5Confident38 Ų3840.7 Ų40.731%0.31424%0.237SC..Hα-helixtrans-66.8-26.2177.700000113.6L139 G442 S443 V444L139-A446 WeakPolarHBondContact CD2-O 3.41Å; G442-A446 WeakPolarHBondContact O-CB 3.42Å; G442-A446 PolarHBondContact O-N 3.49Å; S443-A446 PolarHBondContact O-N 3.46Å; V444-A446 VanDerWaalsContact C-N 3.31Å; V444-A446 PolarHBondContact O-N 2.92Å
447D86.7Confident80.9Confident55 Ų5539.3 Ų39.329%0.29422%0.223SC..THydrogen-bonded Turntrans-109.614.1-179-71.8-34.1000113.3N140 S443 V444 A445 V449 Q450 R451N140-D447 PolarHBondContact ND2-OD1 3.15Å; S443-D447 PolarHBondContact O-N 3.44Å; V444-D447 PolarHBondContact O-N 3.43Å; A445-D447 VanDerWaalsContact C-N 3.26Å; A445-D447 PolarHBondContact O-N 2.91Å; D447-V449 VanDerWaalsContact C-N 3.32Å; D447-V449 PolarHBondContact O-N 2.96Å; D447-V449 VanDerWaalsContact O-N 3.14Å; D447-Q450 WeakPolarHBondContact O-CA 3.2Å; D447-Q450 WeakPolarHBondContact O-CB 3.38Å; D447-Q450 PolarHBondContact O-N 3.4Å; D447-R451 HydrophobicContact CB-CG 4.29Å; D447-R451 WeakPolarHBondContact O-CG 3.42Å; D447-R451 PolarHBondContact O-N 3.47Å
448F90.4Very high83Confident51 Ų5134.8 Ų34.822%0.22421%0.207CC..Hα-helixtrans-55.1-41.5-16786.2-85.2000113.7Q137 L139 T418 V422 V444 A445 Q450 R451 V452Q137-F448 VanDerWaalsContact OE1-CE2 3.27Å; Q137-F448 VanDerWaalsContact OE1-CZ 3.26Å; L139-F448 HydrophobicContact CD2-CD1 4.26Å; L139-F448 HydrophobicContact CD2-CE1 4.19Å; T418-F448 HydrophobicContact CG2-CE1 3.75Å; T418-F448 HydrophobicContact CG2-CZ 3.84Å; V422-F448 HydrophobicContact CG2-CD1 3.71Å; V422-F448 HydrophobicContact CG2-CE1 3.4Å; V444-F448 PolarHBondContact O-N 2.93Å; A445-F448 WeakPolarHBondContact O-CD1 3.34Å; A445-F448 PolarHBondContact O-N 3.4Å; F448-Q450 VanDerWaalsContact C-N 3.34Å; F448-Q450 PolarHBondContact O-N 3.46Å; F448-R451 CarbonylContact O-C 3.53Å; F448-R451 PolarHBondContact O-N 3.29Å; F448-R451 VanDerWaalsContact O-N 3.12Å; F448-V452 WeakPolarHBondContact O-CG2 3.4Å; F448-V452 PolarHBondContact O-N 2.96Å
449V93.6Very high84.7Confident0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-59.5-45.1177.6-178.80000111L139 H142 V144 T418 D447 R451 V452 W453L139-V449 HydrophobicContact CB-CB 3.91Å; L139-V449 HydrophobicContact CB-CG1 4.49Å; L139-V449 HydrophobicContact CB-CG2 3.54Å; L139-V449 HydrophobicContact CD2-CG2 4.34Å; H142-V449 HydrophobicContact CB-CG1 3.84Å; H142-V449 WeakPolarHBondContact O-CG1 3.41Å; V144-V449 HydrophobicContact CG2-CG1 3.91Å; T418-V449 HydrophobicContact CG2-CG2 4.3Å; D447-V449 VanDerWaalsContact C-N 3.32Å; D447-V449 PolarHBondContact O-N 2.96Å; D447-V449 VanDerWaalsContact O-N 3.14Å; V449-R451 VanDerWaalsContact C-N 3.33Å; V449-V452 PolarHBondContact O-N 3.08Å; V449-W453 PolarHBondContact O-N 3.31Å
450Q93.8Very high86.3Confident58 Ų5836.7 Ų36.727%0.27120%0.203SC..Hα-helixtrans-67.3-36.2177.3-172.5-177.3-18.400111.2D447 F448 W453 G454 F488D447-Q450 WeakPolarHBondContact O-CA 3.2Å; D447-Q450 WeakPolarHBondContact O-CB 3.38Å; D447-Q450 PolarHBondContact O-N 3.4Å; F448-Q450 VanDerWaalsContact C-N 3.34Å; F448-Q450 PolarHBondContact O-N 3.46Å; Q450-W453 WeakPolarHBondContact O-CB 3.44Å; Q450-W453 PolarHBondContact O-N 2.9Å; Q450-G454 PolarHBondContact O-N 3.26Å; Q450-F488 HydrophobicContact CG-CE1 3.92Å; Q450-F488 HydrophobicContact CG-CZ 4.13Å; Q450-F488 VanDerWaalsContact O-CE1 3.28Å; Q450-F488 WeakPolarHBondContact O-CE1 3.32Å
451R93.8Very high87.7Confident46 Ų4634.1 Ų34.117%0.17419%0.185CC..Hα-helixtrans-70-39.2177.2-62.7-166.669.170.28.9112.4E22 D447 F448 V449 G454 F455 F488 F490E22-R451 IonicContact OE1-CZ 3.13Å; E22-R451 IonicContact OE1-NE 2.83Å; E22-R451 PolarHBondContact OE1-NE 2.92Å; E22-R451 IonicContact OE1-NH2 2.68Å; E22-R451 PolarHBondContact OE1-NH2 3.25Å; E22-R451 IonicContact OE2-CZ 3.56Å; E22-R451 IonicContact OE2-NE 3.01Å; E22-R451 PolarHBondContact OE2-NE 3.16Å; E22-R451 IonicContact OE2-NH2 3.62Å; E22-R451 PolarHBondContact OE2-NH2 2.77Å; D447-R451 HydrophobicContact CB-CG 4.29Å; D447-R451 WeakPolarHBondContact O-CG 3.42Å; D447-R451 PolarHBondContact O-N 3.47Å; F448-R451 CarbonylContact O-C 3.53Å; F448-R451 PolarHBondContact O-N 3.29Å; F448-R451 VanDerWaalsContact O-N 3.12Å; V449-R451 VanDerWaalsContact C-N 3.33Å; R451-G454 PolarHBondContact O-N 3.05Å; R451-F455 WeakPolarHBondContact O-CB 3.32Å; R451-F455 PolarHBondContact O-N 3.27Å; R451-F488 PolarHBondContact NH1-O 2.83Å; R451-F488 PolarHBondContact NH2-O 2.82Å; R451-F488 VanDerWaalsContact NH2-O 3.08Å; R451-F490 VanDerWaalsContact NH2-CE1 3.31Å
452V95.3Very high88.8Confident22 Ų2232.1 Ų32.113%0.13318%0.175CC..Hα-helixtrans-62-45.1172.2172.60000110.4L24 V144 F448 V449 G454 F455 L456L24-V452 HydrophobicContact CD1-CG1 4.22Å; L24-V452 HydrophobicContact CD1-CG2 4.37Å; V144-V452 HydrophobicContact CG1-CG1 4.02Å; V144-V452 HydrophobicContact CG2-CB 3.8Å; V144-V452 HydrophobicContact CG2-CG1 3.59Å; F448-V452 WeakPolarHBondContact O-CG2 3.4Å; F448-V452 PolarHBondContact O-N 2.96Å; V449-V452 PolarHBondContact O-N 3.08Å; V452-G454 PolarHBondContact O-N 2.77Å; V452-F455 PolarHBondContact O-N 3.06Å; V452-L456 HydrophobicContact CG1-CD1 4.06Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.06Å
453W95.9Very high89.8Confident24 Ų2436.4 Ų36.49%0.09119%0.188CC..Hα-helixtrans-56.8-48172.6175.183.5000112H142 Y361 A379 K381 V449 Q450 F455 L456 S457 L484 F488H142-W453 AromaticContact CD2-CD2 3.76Å; H142-W453 AromaticContact CD2-CE3 3.95Å; H142-W453 AromaticContact CD2-CG 3.85Å; H142-W453 AromaticContact NE2-CE3 3.96Å; Y361-W453 AromaticContact CD1-CE2 3.85Å; Y361-W453 AromaticContact CD1-CZ2 3.71Å; Y361-W453 HydrophobicContact CD1-CZ2 3.71Å; Y361-W453 AromaticContact CD1-NE1 3.46Å; Y361-W453 HydrophobicContact CE1-CZ2 4.33Å; Y361-W453 HydrophobicContact CG-CZ2 4.24Å; A379-W453 HydrophobicContact CB-CB 3.92Å; A379-W453 HydrophobicContact CB-CG 4.35Å; K381-W453 HydrophobicContact CB-CZ2 4.23Å; K381-W453 HydrophobicContact CD-CH2 4.47Å; K381-W453 HydrophobicContact CD-CZ2 4.35Å; V449-W453 PolarHBondContact O-N 3.31Å; Q450-W453 WeakPolarHBondContact O-CB 3.44Å; Q450-W453 PolarHBondContact O-N 2.9Å; W453-F455 PolarHBondContact O-N 3.18Å; W453-L456 PolarHBondContact O-N 3.16Å; W453-S457 VanDerWaalsContact O-CB 3.26Å; W453-S457 WeakPolarHBondContact O-CB 3.41Å; W453-S457 PolarHBondContact O-N 2.86Å; W453-S457 PolarHBondContact O-OG 2.98Å; W453-L484 HydrophobicContact CH2-CD2 4.33Å; W453-L484 HydrophobicContact CZ3-CD2 4.48Å; W453-F488 AromaticContact CE3-CE2 3.99Å; W453-F488 HydrophobicContact CE3-CE2 3.99Å; W453-F488 AromaticContact CE3-CZ 3.61Å; W453-F488 HydrophobicContact CE3-CZ 3.61Å; W453-F488 AromaticContact CZ3-CE2 3.66Å; W453-F488 HydrophobicContact CZ3-CE2 3.66Å; W453-F488 AromaticContact CZ3-CZ 3.61Å; W453-F488 HydrophobicContact CZ3-CZ 3.61Å
454G94.9Very high90.5Very high0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-60.6-44.8176.900000112.7Q450 R451 V452 S457 V458 F488Q450-G454 PolarHBondContact O-N 3.26Å; R451-G454 PolarHBondContact O-N 3.05Å; V452-G454 PolarHBondContact O-N 2.77Å; G454-S457 PolarHBondContact O-N 2.93Å; G454-V458 WeakPolarHBondContact O-CB 3.24Å; G454-V458 VanDerWaalsContact O-CG2 3.27Å; G454-V458 WeakPolarHBondContact O-CG2 3.48Å; G454-V458 PolarHBondContact O-N 2.97Å; G454-F488 VanDerWaalsContact CA-CE2 3.45Å
455F95.1Very high91.1Very high39 Ų3936.4 Ų36.417%0.17118%0.179CC..Hα-helixtrans-62.2-47.6179.1177.9-96.2000112.2L24 R451 V452 W453 K459 F490L24-F455 HydrophobicContact CB-CD1 3.97Å; L24-F455 HydrophobicContact CB-CE1 3.56Å; L24-F455 HydrophobicContact CB-CZ 4.26Å; L24-F455 HydrophobicContact CD2-CD1 4.38Å; L24-F455 HydrophobicContact CD2-CE1 4.32Å; R451-F455 WeakPolarHBondContact O-CB 3.32Å; R451-F455 PolarHBondContact O-N 3.27Å; V452-F455 PolarHBondContact O-N 3.06Å; W453-F455 PolarHBondContact O-N 3.18Å; F455-K459 HydrophobicContact CD1-CD 4.25Å; F455-K459 HydrophobicContact CE1-CD 3.68Å; F455-K459 VanDerWaalsContact CE1-CE 3.46Å; F455-K459 VanDerWaalsContact CE1-NZ 3.33Å; F455-K459 HydrophobicContact CZ-CD 3.98Å; F455-K459 PolarHBondContact O-N 3.32Å; F455-F490 HydrophobicContact CB-CE2 4.11Å; F455-F490 HydrophobicContact CB-CZ 4.04Å; F455-F490 HydrophobicContact CD2-CZ 4.46Å
456L95.4Very high91.5Very high27 Ų2737 Ų3714%0.14118%0.179CC..Hα-helixtrans-66.5-41.4177.5-70.7176.8000111.5L24 T363 V377 A379 V452 W453 V458 K459 E460L24-L456 HydrophobicContact CD2-CD1 4.48Å; L24-L456 HydrophobicContact CD2-CD2 3.74Å; L24-L456 HydrophobicContact CD2-CG 4.23Å; T363-L456 HydrophobicContact CG2-CB 3.74Å; V377-L456 HydrophobicContact CG1-CD1 3.98Å; A379-L456 HydrophobicContact CB-CD1 3.9Å; V452-L456 HydrophobicContact CG1-CD1 4.06Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.06Å; W453-L456 PolarHBondContact O-N 3.16Å; L456-V458 PolarHBondContact O-N 2.98Å; L456-K459 PolarHBondContact O-N 3.26Å; L456-E460 WeakPolarHBondContact O-CB 3.44Å; L456-E460 PolarHBondContact O-N 3.2Å
457S94.9Very high91.5Very high1 Ų140.5 Ų40.51%0.00718%0.184CC..Hα-helixtrans-63.1-41.3177.4-57.10000112.3Y361 W453 G454 E460 G461Y361-S457 WeakPolarHBondContact CE1-OG 3.5Å; W453-S457 VanDerWaalsContact O-CB 3.26Å; W453-S457 WeakPolarHBondContact O-CB 3.41Å; W453-S457 PolarHBondContact O-N 2.86Å; W453-S457 PolarHBondContact O-OG 2.98Å; G454-S457 PolarHBondContact O-N 2.93Å; S457-E460 PolarHBondContact O-N 3.43Å; S457-G461 PolarHBondContact O-N 2.98Å
458V94.9Very high91.5Very high6 Ų638 Ų384%0.03617%0.171CC..Hα-helixtrans-63.6-46.5173.4167.80000110.8G454 L456 E460 G461 L462 L484 F490 T492G454-V458 WeakPolarHBondContact O-CB 3.24Å; G454-V458 VanDerWaalsContact O-CG2 3.27Å; G454-V458 WeakPolarHBondContact O-CG2 3.48Å; G454-V458 PolarHBondContact O-N 2.97Å; L456-V458 PolarHBondContact O-N 2.98Å; V458-E460 VanDerWaalsContact C-N 3.27Å; V458-E460 PolarHBondContact O-N 2.97Å; V458-G461 PolarHBondContact O-N 3.12Å; V458-L462 HydrophobicContact CG1-CD1 4.01Å; V458-L462 HydrophobicContact CG1-CG 4.37Å; V458-L462 WeakPolarHBondContact O-CB 3.2Å; V458-L462 VanDerWaalsContact O-CG 3.28Å; V458-L462 WeakPolarHBondContact O-CG 3.36Å; V458-L462 PolarHBondContact O-N 3.43Å; V458-L484 HydrophobicContact CG2-CB 3.54Å; V458-F490 HydrophobicContact CG2-CD2 4.37Å; V458-T492 HydrophobicContact CG1-CG2 3.89Å
459K91.9Very high90.9Very high73 Ų7344.5 Ų44.532%0.31719%0.194SC..Hα-helixtrans-59.5-39.9176.5-84.6-171.2170.31790112.1F455 L456 L462 R463F455-K459 HydrophobicContact CD1-CD 4.25Å; F455-K459 HydrophobicContact CE1-CD 3.68Å; F455-K459 VanDerWaalsContact CE1-CE 3.46Å; F455-K459 VanDerWaalsContact CE1-NZ 3.33Å; F455-K459 HydrophobicContact CZ-CD 3.98Å; F455-K459 PolarHBondContact O-N 3.32Å; L456-K459 PolarHBondContact O-N 3.26Å; K459-L462 PolarHBondContact O-N 2.83Å; K459-R463 WeakPolarHBondContact O-CB 3.49Å; K459-R463 VanDerWaalsContact O-CG 3.26Å; K459-R463 WeakPolarHBondContact O-CG 3.31Å; K459-R463 PolarHBondContact O-N 2.97Å
460E91.3Very high90.7Very high61 Ų6147.1 Ų47.129%0.28521%0.212SC..Hα-helixtrans-64.8-48.8176.5-171.2169.7159.800111.6T363 Q364 L456 S457 V458 L462 R463 A464T363-E460 WeakPolarHBondContact CA-OE2 3.41Å; T363-E460 WeakPolarHBondContact CB-OE2 3.49Å; Q364-E460 PolarHBondContact N-OE2 3.06Å; L456-E460 WeakPolarHBondContact O-CB 3.44Å; L456-E460 PolarHBondContact O-N 3.2Å; S457-E460 PolarHBondContact O-N 3.43Å; V458-E460 VanDerWaalsContact C-N 3.27Å; V458-E460 PolarHBondContact O-N 2.97Å; E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 3.48Å; E460-R463 CarbonylContact O-C 3.59Å; E460-R463 PolarHBondContact O-N 2.67Å; E460-R463 VanDerWaalsContact O-N 3.09Å; E460-A464 WeakPolarHBondContact O-CB 3.45Å; E460-A464 PolarHBondContact O-N 2.91Å
461G92.2Very high90.5Very high5 Ų549.3 Ų49.35%0.05223%0.234CC..Hα-helixtrans-59.8-39.7175.300000112.9S457 V458 A464 R465S457-G461 PolarHBondContact O-N 2.98Å; V458-G461 PolarHBondContact O-N 3.12Å; G461-A464 PolarHBondContact O-N 3.5Å; G461-R465 WeakPolarHBondContact O-CB 3.39Å; G461-R465 PolarHBondContact O-N 3.42Å
462L90.9Very high90.5Very high32 Ų3255.9 Ų55.917%0.16826%0.259CS..Hα-helixtrans-62.7-44173-70.1174.3000111.5V458 K459 E460 R465 L466 A481 L494V458-L462 HydrophobicContact CG1-CD1 4.01Å; V458-L462 HydrophobicContact CG1-CG 4.37Å; V458-L462 WeakPolarHBondContact O-CB 3.2Å; V458-L462 VanDerWaalsContact O-CG 3.28Å; V458-L462 WeakPolarHBondContact O-CG 3.36Å; V458-L462 PolarHBondContact O-N 3.43Å; K459-L462 PolarHBondContact O-N 2.83Å; E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 3.48Å; L462-R465 WeakPolarHBondContact O-CB 3.49Å; L462-L466 VanDerWaalsContact O-CG 3.28Å; L462-L466 WeakPolarHBondContact O-CG 3.37Å; L462-L466 PolarHBondContact O-N 3.32Å; L462-A481 HydrophobicContact CD2-CB 4.34Å; L462-A481 HydrophobicContact CG-CB 4.49Å; L462-L494 HydrophobicContact CD2-CD1 3.62Å; L462-L494 HydrophobicContact CD2-CG 3.82Å
463R88.8Confident90.3Very high102 Ų10258.2 Ų58.239%0.38527%0.268SS..Hα-helixtrans-66.9-39.8176.2-72.9169.4176.4164.9-1.9112.3L316 K459 E460 L466 R467L316-R463 HydrophobicContact CD1-CB 4.33Å; L316-R463 HydrophobicContact CD1-CG 3.82Å; L316-R463 HydrophobicContact CD2-CB 4.18Å; L316-R463 HydrophobicContact CD2-CG 4.07Å; K459-R463 WeakPolarHBondContact O-CB 3.49Å; K459-R463 VanDerWaalsContact O-CG 3.26Å; K459-R463 WeakPolarHBondContact O-CG 3.31Å; K459-R463 PolarHBondContact O-N 2.97Å; E460-R463 CarbonylContact O-C 3.59Å; E460-R463 PolarHBondContact O-N 2.67Å; E460-R463 VanDerWaalsContact O-N 3.09Å; R463-L466 WeakPolarHBondContact O-CB 3.28Å; R463-L466 PolarHBondContact O-N 3.17Å; R463-R467 WeakPolarHBondContact O-CG 3.27Å; R463-R467 PolarHBondContact O-N 3.27Å; R463-R467 VanDerWaalsContact O-N 3.09Å
464A88.8Confident90.1Very high26 Ų2662.7 Ų62.722%0.21529%0.285CS..Hα-helixtrans-61.2-47.6176.400000110.3E460 G461 L466 R467 S468 Q477E460-A464 WeakPolarHBondContact O-CB 3.45Å; E460-A464 PolarHBondContact O-N 2.91Å; G461-A464 PolarHBondContact O-N 3.5Å; A464-L466 PolarHBondContact O-N 2.81Å; A464-R467 CarbonylContact O-C 3.52Å; A464-R467 PolarHBondContact O-N 3.18Å; A464-S468 PolarHBondContact O-N 2.96Å; A464-S468 PolarHBondContact O-OG 3.35Å; A464-Q477 HydrophobicContact CB-CG 3.95Å
465R88.7Confident90.1Very high73 Ų7368.3 Ų68.328%0.27531%0.311SS..Hα-helixtrans-53.1-38.1173.1-179.9-171.9171.4-104.5-1.1113.1G461 L462 R474 Q477 T478G461-R465 WeakPolarHBondContact O-CB 3.39Å; G461-R465 PolarHBondContact O-N 3.42Å; L462-R465 WeakPolarHBondContact O-CB 3.49Å; R465-R474 HydrophobicContact CG-CG 3.79Å; R465-R474 PolarHBondContact O-NE 2.99Å; R465-Q477 HydrophobicContact CB-CB 3.89Å; R465-T478 WeakPolarHBondContact CD-OG1 3.44Å; R465-T478 PolarHBondContact NE-OG1 3.4Å
466L82.6Confident90.1Very high39 Ų3971.1 Ų71.120%0.20433%0.325CS..Hα-helixtrans-68.8-38.2177-67.5-177.3000112.6L313 L316 L462 R463 A464L313-L466 HydrophobicContact CD2-CB 3.71Å; L313-L466 HydrophobicContact CD2-CD1 4.19Å; L313-L466 HydrophobicContact CD2-CD2 4.25Å; L313-L466 HydrophobicContact CD2-CG 4.26Å; L316-L466 HydrophobicContact CD2-CB 4.15Å; L316-L466 HydrophobicContact CD2-CD1 3.91Å; L462-L466 VanDerWaalsContact O-CG 3.28Å; L462-L466 WeakPolarHBondContact O-CG 3.37Å; L462-L466 PolarHBondContact O-N 3.32Å; R463-L466 WeakPolarHBondContact O-CB 3.28Å; R463-L466 PolarHBondContact O-N 3.17Å; A464-L466 PolarHBondContact O-N 2.81Å
467R82Confident90Very high110 Ų11071.8 Ų71.842%0.41533%0.327SS..Hα-helixtrans-81.1-16.5178.5-66177.3178.6168-0.7113.6L316 E317 R463 A464 R469L316-R467 PolarHBondContact O-NE 3.01Å; L316-R467 PolarHBondContact O-NH2 3.19Å; E317-R467 HydrophobicContact CG-CG 4.28Å; R463-R467 WeakPolarHBondContact O-CG 3.27Å; R463-R467 PolarHBondContact O-N 3.27Å; R463-R467 VanDerWaalsContact O-N 3.09Å; A464-R467 CarbonylContact O-C 3.52Å; A464-R467 PolarHBondContact O-N 3.18Å; R467-R469 PolarHBondContact O-N 3.1Å
468S85.8Confident90Very high4 Ų472.9 Ų72.93%0.02833%0.334CS..  trans-58.6133.5-176.3-59.10000112.7A464 E473 R474A464-S468 PolarHBondContact O-N 2.96Å; A464-S468 PolarHBondContact O-OG 3.35Å; S468-E473 WeakPolarHBondContact CA-OE2 3.34Å; S468-R474 PolarHBondContact O-NH2 2.74Å
469R79.1Confident90Very high187 Ų18777.1 Ų77.171%0.70635%0.354SS*.  trans-97.9-25.3-174.3-61.4-175.5-176177.46.2113.3R467 E473R467-R469 PolarHBondContact O-N 3.1Å; R469-E473 PolarHBondContact N-OE2 2.93Å; R469-E473 VanDerWaalsContact N-OE2 3.08Å
470S88.1Confident90Very high55 Ų5577.4 Ų77.439%0.38536%0.356SS..SBendtrans-106.8151.5176.372.50000111R472 E473 R474S470-R472 PolarHBondContact O-N 3.27Å; S470-E473 PolarHBondContact O-N 2.8Å; S470-E473 WeakPolarHBondContact OG-CB 3.5Å; S470-E473 PolarHBondContact OG-N 3Å; S470-R474 WeakPolarHBondContact O-CB 3.01Å; S470-R474 PolarHBondContact O-N 2.91Å
471S89.9Confident90.2Very high104 Ų10474.5 Ų74.573%0.72734%0.342SS*.Hα-helixtrans-57.9-39.4171.951.40000111.3R474 E475S471-R474 PolarHBondContact O-N 3.49Å; S471-E475 WeakPolarHBondContact O-CB 3.08Å; S471-E475 PolarHBondContact O-N 2.9Å
472R93.8Very high90.4Very high183 Ų18375.7 Ų75.769%0.69135%0.349SS*.Hα-helixtrans-62.3-52.8178.6-179.3179.2172.7171.32.8112.7S470 R474 E475 E476S470-R472 PolarHBondContact O-N 3.27Å; R472-R474 VanDerWaalsContact C-N 3.27Å; R472-R474 PolarHBondContact O-N 3.26Å; R472-E475 WeakPolarHBondContact O-CB 3.45Å; R472-E475 PolarHBondContact O-N 3.48Å; R472-E475 VanDerWaalsContact O-N 3.13Å; R472-E476 WeakPolarHBondContact CG-OE1 3.28Å; R472-E476 IonicContact CZ-OE1 3.98Å; R472-E476 IonicContact NE-OE1 3.59Å; R472-E476 PolarHBondContact NE-OE1 2.93Å; R472-E476 IonicContact NH2-OE1 3.06Å; R472-E476 WeakPolarHBondContact O-CG 3.46Å; R472-E476 PolarHBondContact O-N 2.95Å
473E92.2Very high90.6Very high71 Ų7177.9 Ų77.933%0.33236%0.361SS..Hα-helixtrans-59.7-42.1178.1-175.1-162.8168.500110.6S468 R469 S470 E475 E476 Q477S468-E473 WeakPolarHBondContact CA-OE2 3.34Å; R469-E473 PolarHBondContact N-OE2 2.93Å; R469-E473 VanDerWaalsContact N-OE2 3.08Å; S470-E473 PolarHBondContact O-N 2.8Å; S470-E473 WeakPolarHBondContact OG-CB 3.5Å; S470-E473 PolarHBondContact OG-N 3Å; E473-E475 VanDerWaalsContact C-N 3.3Å; E473-E475 PolarHBondContact O-N 3.11Å; E473-E476 PolarHBondContact O-N 3.39Å; E473-Q477 VanDerWaalsContact O-CG 3.29Å; E473-Q477 WeakPolarHBondContact O-CG 3.27Å; E473-Q477 PolarHBondContact O-N 2.85Å
474R91.8Very high90.9Very high118 Ų11874.4 Ų74.445%0.44535%0.35SS..Hα-helixtrans-61.7-39.8176.8-174.1174.2-73.3164.14.9111.9R465 S468 S470 S471 R472 T478R465-R474 HydrophobicContact CG-CG 3.79Å; R465-R474 PolarHBondContact O-NE 2.99Å; S468-R474 PolarHBondContact O-NH2 2.74Å; S470-R474 WeakPolarHBondContact O-CB 3.01Å; S470-R474 PolarHBondContact O-N 2.91Å; S471-R474 PolarHBondContact O-N 3.49Å; R472-R474 VanDerWaalsContact C-N 3.27Å; R472-R474 PolarHBondContact O-N 3.26Å; R474-T478 VanDerWaalsContact O-CB 3.27Å; R474-T478 WeakPolarHBondContact O-CB 3.27Å; R474-T478 PolarHBondContact O-N 2.81Å; R474-T478 PolarHBondContact O-OG1 2.91Å
475E93.8Very high91.2Very high119 Ų11973.2 Ų73.256%0.55634%0.339SS*.Hα-helixtrans-66.3-46.2176.9-168.160.3-147.500111.1S471 R472 E473 Q477 T478 Q479S471-E475 WeakPolarHBondContact O-CB 3.08Å; S471-E475 PolarHBondContact O-N 2.9Å; R472-E475 WeakPolarHBondContact O-CB 3.45Å; R472-E475 PolarHBondContact O-N 3.48Å; R472-E475 VanDerWaalsContact O-N 3.13Å; E473-E475 VanDerWaalsContact C-N 3.3Å; E473-E475 PolarHBondContact O-N 3.11Å; E475-Q477 PolarHBondContact O-N 2.93Å; E475-T478 WeakPolarHBondContact O-CB 3.44Å; E475-T478 PolarHBondContact O-N 3.03Å; E475-T478 VanDerWaalsContact O-N 3.11Å; E475-Q479 PolarHBondContact O-N 3.42Å
476E94.7Very high91.5Very high97 Ų9775 Ų7545%0.45335%0.354SS..Hα-helixtrans-57.7-47.7176.7-71.4170-173.600111.2R472 E473 T478 Q479 Q480R472-E476 WeakPolarHBondContact CG-OE1 3.28Å; R472-E476 IonicContact CZ-OE1 3.98Å; R472-E476 IonicContact NE-OE1 3.59Å; R472-E476 PolarHBondContact NE-OE1 2.93Å; R472-E476 IonicContact NH2-OE1 3.06Å; R472-E476 WeakPolarHBondContact O-CG 3.46Å; R472-E476 PolarHBondContact O-N 2.95Å; E473-E476 PolarHBondContact O-N 3.39Å; E476-T478 VanDerWaalsContact C-N 3.35Å; E476-T478 PolarHBondContact O-N 2.64Å; E476-Q479 PolarHBondContact O-N 3.32Å; E476-Q480 WeakPolarHBondContact O-CB 3.41Å; E476-Q480 PolarHBondContact O-N 3.13Å
477Q93.8Very high92Very high41 Ų4178 Ų7819%0.19237%0.374CS..Hα-helixtrans-65.8-35.9175.8-64.5-57.8-34.600112.5A464 R465 E473 E475 A481A464-Q477 HydrophobicContact CB-CG 3.95Å; R465-Q477 HydrophobicContact CB-CB 3.89Å; E473-Q477 VanDerWaalsContact O-CG 3.29Å; E473-Q477 WeakPolarHBondContact O-CG 3.27Å; E473-Q477 PolarHBondContact O-N 2.85Å; E475-Q477 PolarHBondContact O-N 2.93Å; Q477-A481 VanDerWaalsContact O-CB 3.27Å; Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.38Å
478T94.3Very high92.5Very high24 Ų2473.2 Ų73.215%0.14736%0.356CS..Hα-helixtrans-64-47.3175.9-61.60000110.6R465 R474 E475 E476 A481 T482 L494R465-T478 WeakPolarHBondContact CD-OG1 3.44Å; R465-T478 PolarHBondContact NE-OG1 3.4Å; R474-T478 VanDerWaalsContact O-CB 3.27Å; R474-T478 WeakPolarHBondContact O-CB 3.27Å; R474-T478 PolarHBondContact O-N 2.81Å; R474-T478 PolarHBondContact O-OG1 2.91Å; E475-T478 WeakPolarHBondContact O-CB 3.44Å; E475-T478 PolarHBondContact O-N 3.03Å; E475-T478 VanDerWaalsContact O-N 3.11Å; E476-T478 VanDerWaalsContact C-N 3.35Å; E476-T478 PolarHBondContact O-N 2.64Å; T478-A481 PolarHBondContact O-N 3.49Å; T478-T482 VanDerWaalsContact O-CB 3.29Å; T478-T482 WeakPolarHBondContact O-CB 3.42Å; T478-T482 PolarHBondContact O-N 2.96Å; T478-T482 PolarHBondContact O-OG1 3.21Å; T478-L494 HydrophobicContact CG2-CD1 4.21Å; T478-L494 HydrophobicContact CG2-CD2 4.11Å
479Q95.1Very high92.8Very high96 Ų9683.6 Ų83.645%0.44940%0.395SS..Hα-helixtrans-63.9-44.7178.9-172.663.553.900111.4E475 E476 T482 N483E475-Q479 PolarHBondContact O-N 3.42Å; E476-Q479 PolarHBondContact O-N 3.32Å; Q479-T482 PolarHBondContact O-N 3.23Å; Q479-N483 PolarHBondContact NE2-OD1 2.99Å; Q479-N483 WeakPolarHBondContact O-CB 3.31Å; Q479-N483 PolarHBondContact O-N 2.92Å
480Q93.1Very high93.4Very high78 Ų7876.1 Ų76.136%0.36437%0.367SS..Hα-helixtrans-61.1-49.8178-176.1178.1-1.300111.7E476 T482 N483 L484E476-Q480 WeakPolarHBondContact O-CB 3.41Å; E476-Q480 PolarHBondContact O-N 3.13Å; Q480-T482 VanDerWaalsContact C-N 3.31Å; Q480-T482 PolarHBondContact O-N 3.42Å; Q480-N483 PolarHBondContact O-N 3.06Å; Q480-L484 HydrophobicContact CG-CD1 4.27Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 3.29Å
481A95.1Very high93.6Very high0 Ų079 Ų790%038%0.378CS..Hα-helixtrans-64.4-36.2179.100000112L462 Q477 T478 S485 L494L462-A481 HydrophobicContact CD2-CB 4.34Å; L462-A481 HydrophobicContact CG-CB 4.49Å; Q477-A481 VanDerWaalsContact O-CB 3.27Å; Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.38Å; T478-A481 PolarHBondContact O-N 3.49Å; A481-S485 VanDerWaalsContact O-CB 3.31Å; A481-S485 WeakPolarHBondContact O-CB 3.39Å; A481-S485 PolarHBondContact O-N 3.39Å; A481-S485 PolarHBondContact O-OG 3.15Å; A481-L494 HydrophobicContact CB-CD1 3.69Å
482T95.8Very high93.7Very high30 Ų3075 Ų7518%0.18435%0.349CS..Hα-helixtrans-65.2-48.4175.4-56.60000111T478 Q479 Q480 L484 S485 L486T478-T482 VanDerWaalsContact O-CB 3.29Å; T478-T482 WeakPolarHBondContact O-CB 3.42Å; T478-T482 PolarHBondContact O-N 2.96Å; T478-T482 PolarHBondContact O-OG1 3.21Å; Q479-T482 PolarHBondContact O-N 3.23Å; Q480-T482 VanDerWaalsContact C-N 3.31Å; Q480-T482 PolarHBondContact O-N 3.42Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3.22Å; T482-S485 WeakPolarHBondContact O-CB 3.45Å; T482-S485 PolarHBondContact O-N 3.16Å; T482-S485 VanDerWaalsContact O-N 3.16Å; T482-L486 HydrophobicContact CG2-CD1 4.14Å; T482-L486 HydrophobicContact CG2-CG 4.5Å; T482-L486 WeakPolarHBondContact O-CG 3.44Å; T482-L486 PolarHBondContact O-N 3.32Å
483N95.7Very high93.6Very high79 Ų7971.7 Ų71.742%0.42235%0.351SS..Hα-helixtrans-60.3-43.3178.9-73-9.7000112Q479 Q480 L486 T487Q479-N483 PolarHBondContact NE2-OD1 2.99Å; Q479-N483 WeakPolarHBondContact O-CB 3.31Å; Q479-N483 PolarHBondContact O-N 2.92Å; Q480-N483 PolarHBondContact O-N 3.06Å; N483-L486 PolarHBondContact O-N 2.83Å; N483-T487 WeakPolarHBondContact O-CB 3.39Å; N483-T487 PolarHBondContact O-N 3.03Å; N483-T487 PolarHBondContact O-OG1 2.76Å
484L94.3Very high93.6Very high29 Ų2970.1 Ų70.115%0.15235%0.345CS..Hα-helixtrans-64.8-43.8174.8-72.4171000111.4W453 V458 Q480 T482 L486 T487 F488W453-L484 HydrophobicContact CH2-CD2 4.33Å; W453-L484 HydrophobicContact CZ3-CD2 4.48Å; V458-L484 HydrophobicContact CG2-CB 3.54Å; Q480-L484 HydrophobicContact CG-CD1 4.27Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 3.29Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3.22Å; L484-L486 VanDerWaalsContact C-N 3.31Å; L484-L486 PolarHBondContact O-N 2.93Å; L484-T487 PolarHBondContact O-N 2.93Å; L484-F488 HydrophobicContact CD2-CE2 4.29Å; L484-F488 WeakPolarHBondContact O-CD2 3.08Å; L484-F488 PolarHBondContact O-N 3.41Å
485S95.8Very high93.7Very high0 Ų065.6 Ų65.60%033%0.331CS..Hα-helixtrans-58.4-43.2177.5-59.30000111.6A481 T482 R489 F490 T492A481-S485 VanDerWaalsContact O-CB 3.31Å; A481-S485 WeakPolarHBondContact O-CB 3.39Å; A481-S485 PolarHBondContact O-N 3.39Å; A481-S485 PolarHBondContact O-OG 3.15Å; T482-S485 WeakPolarHBondContact O-CB 3.45Å; T482-S485 PolarHBondContact O-N 3.16Å; T482-S485 VanDerWaalsContact O-N 3.16Å; S485-R489 CarbonylContact O-C 3.48Å; S485-R489 WeakPolarHBondContact O-CA 3.32Å; S485-R489 PolarHBondContact O-N 2.93Å; S485-F490 PolarHBondContact O-N 3.34Å; S485-T492 VanDerWaalsContact OG-CG2 3.28Å; S485-T492 WeakPolarHBondContact OG-CG2 3.33Å; S485-T492 PolarHBondContact OG-OG1 3.4Å
486L94.8Very high93.6Very high111 Ų11167.3 Ų67.358%0.58134%0.338SS*.Hα-helixtrans-67.6-42.3176.4-67.7173.1000112.2T482 N483 L484 F488 R489 T495T482-L486 HydrophobicContact CG2-CD1 4.14Å; T482-L486 HydrophobicContact CG2-CG 4.5Å; T482-L486 WeakPolarHBondContact O-CG 3.44Å; T482-L486 PolarHBondContact O-N 3.32Å; N483-L486 PolarHBondContact O-N 2.83Å; L484-L486 VanDerWaalsContact C-N 3.31Å; L484-L486 PolarHBondContact O-N 2.93Å; L486-F488 VanDerWaalsContact C-N 3.33Å; L486-F488 PolarHBondContact O-N 3.12Å; L486-R489 PolarHBondContact O-N 2.81Å; L486-T495 HydrophobicContact CD2-CG2 4.04Å; L486-T495 HydrophobicContact CG-CG2 4.25Å
487T93.5Very high93.2Very high101 Ų10168.7 Ų68.762%0.6235%0.346SS*.Hα-helixtrans-58.9-44.7178.5-59.70000111.5N483 L484N483-T487 WeakPolarHBondContact O-CB 3.39Å; N483-T487 PolarHBondContact O-N 3.03Å; N483-T487 PolarHBondContact O-OG1 2.76Å; L484-T487 PolarHBondContact O-N 2.93Å
488F91.4Very high92.8Very high10 Ų1071.5 Ų71.54%0.04437%0.366CS..Hα-helixtrans-90.5-3.1-179-74.2-78.2000114.5Q450 R451 W453 G454 L484 L486 F490Q450-F488 HydrophobicContact CG-CE1 3.92Å; Q450-F488 HydrophobicContact CG-CZ 4.13Å; Q450-F488 VanDerWaalsContact O-CE1 3.28Å; Q450-F488 WeakPolarHBondContact O-CE1 3.32Å; R451-F488 PolarHBondContact NH1-O 2.83Å; R451-F488 PolarHBondContact NH2-O 2.82Å; R451-F488 VanDerWaalsContact NH2-O 3.08Å; W453-F488 AromaticContact CE3-CE2 3.99Å; W453-F488 HydrophobicContact CE3-CE2 3.99Å; W453-F488 AromaticContact CE3-CZ 3.61Å; W453-F488 HydrophobicContact CE3-CZ 3.61Å; W453-F488 AromaticContact CZ3-CE2 3.66Å; W453-F488 HydrophobicContact CZ3-CE2 3.66Å; W453-F488 AromaticContact CZ3-CZ 3.61Å; W453-F488 HydrophobicContact CZ3-CZ 3.61Å; G454-F488 VanDerWaalsContact CA-CE2 3.45Å; L484-F488 HydrophobicContact CD2-CE2 4.29Å; L484-F488 WeakPolarHBondContact O-CD2 3.08Å; L484-F488 PolarHBondContact O-N 3.41Å; L486-F488 VanDerWaalsContact C-N 3.33Å; L486-F488 PolarHBondContact O-N 3.12Å; F488-F490 VanDerWaalsContact C-N 3.3Å; F488-F490 HydrophobicContact CB-CD2 3.41Å; F488-F490 VanDerWaalsContact CB-CD2 3.41Å; F488-F490 HydrophobicContact CB-CE2 3.35Å; F488-F490 HydrophobicContact CB-CG 4.2Å; F488-F490 HydrophobicContact CB-CZ 4.1Å; F488-F490 HydrophobicContact CD1-CE2 4.42Å; F488-F490 HydrophobicContact CG-CD2 4.34Å; F488-F490 AromaticContact CG-CE2 3.92Å; F488-F490 HydrophobicContact CG-CE2 3.92Å; F488-F490 PolarHBondContact O-N 3.35Å
489R92.3Very high91.9Very high223 Ų22376.4 Ų76.484%0.84239%0.391SS*.THydrogen-bonded Turntrans58.338.9-176.8-52.6178.9-177176.2-0.1113.1S485 L486S485-R489 CarbonylContact O-C 3.48Å; S485-R489 WeakPolarHBondContact O-CA 3.32Å; S485-R489 PolarHBondContact O-N 2.93Å; L486-R489 PolarHBondContact O-N 2.81Å
490F92.9Very high90.7Very high29 Ų2978 Ų7813%0.12740%0.402CS..  trans-84.2134.6174.5-68.8-49.3000111.4E22 R451 F455 V458 S485 F488 T492 T495E22-F490 WeakPolarHBondContact OE2-CE1 3.29Å; R451-F490 VanDerWaalsContact NH2-CE1 3.31Å; F455-F490 HydrophobicContact CB-CE2 4.11Å; F455-F490 HydrophobicContact CB-CZ 4.04Å; F455-F490 HydrophobicContact CD2-CZ 4.46Å; V458-F490 HydrophobicContact CG2-CD2 4.37Å; S485-F490 PolarHBondContact O-N 3.34Å; F488-F490 VanDerWaalsContact C-N 3.3Å; F488-F490 HydrophobicContact CB-CD2 3.41Å; F488-F490 VanDerWaalsContact CB-CD2 3.41Å; F488-F490 HydrophobicContact CB-CE2 3.35Å; F488-F490 HydrophobicContact CB-CG 4.2Å; F488-F490 HydrophobicContact CB-CZ 4.1Å; F488-F490 HydrophobicContact CD1-CE2 4.42Å; F488-F490 HydrophobicContact CG-CD2 4.34Å; F488-F490 AromaticContact CG-CE2 3.92Å; F488-F490 HydrophobicContact CG-CE2 3.92Å; F488-F490 PolarHBondContact O-N 3.35Å; F490-T492 HydrophobicContact CB-CG2 3.73Å; F490-T492 PolarHBondContact O-N 3.48Å; F490-T495 PolarHBondContact O-OG1 3.42Å
491L92.3Very high89.2Confident116 Ų11682.3 Ų82.361%0.60742%0.422SS*.  trans-78.3115.3163.4-176.463.8000108.3M497L491-M497 HydrophobicContact CD1-CB 4.22Å
492T91.8Very high87.4Confident19 Ų1988 Ų8812%0.11746%0.46CS..  trans-134171.4-176.876.60000109.7V458 S485 F490 L494 T495V458-T492 HydrophobicContact CG1-CG2 3.89Å; S485-T492 VanDerWaalsContact OG-CG2 3.28Å; S485-T492 WeakPolarHBondContact OG-CG2 3.33Å; S485-T492 PolarHBondContact OG-OG1 3.4Å; F490-T492 HydrophobicContact CB-CG2 3.73Å; F490-T492 PolarHBondContact O-N 3.48Å; T492-L494 PolarHBondContact O-N 2.86Å; T492-L494 PolarHBondContact OG1-N 2.94Å; T492-T495 PolarHBondContact N-OG1 2.99Å; T492-T495 PolarHBondContact O-N 3.25Å; T492-T495 PolarHBondContact OG1-OG1 3.21Å
493P90.4Very high85.3Confident114 Ų11493.8 Ų93.874%0.7448%0.484SS*.THydrogen-bonded Turntrans-59.2-6.8174.4-25.936.2000115.4
494L92.9Very high82.9Confident38 Ų3895.7 Ų95.720%0.19950%0.501CS..THydrogen-bonded Turntrans-109.9-7.5178.9-56.3-179.7000113.3L462 T478 A481 T492L462-L494 HydrophobicContact CD2-CD1 3.62Å; L462-L494 HydrophobicContact CD2-CG 3.82Å; T478-L494 HydrophobicContact CG2-CD1 4.21Å; T478-L494 HydrophobicContact CG2-CD2 4.11Å; A481-L494 HydrophobicContact CB-CD1 3.69Å; T492-L494 PolarHBondContact O-N 2.86Å; T492-L494 PolarHBondContact OG1-N 2.94Å
495T94Very high80.6Confident24 Ų24100 Ų10015%0.14752%0.523CS..  trans-124.3161.6179.958.10000110.4L486 F490 T492L486-T495 HydrophobicContact CD2-CG2 4.04Å; L486-T495 HydrophobicContact CG-CG2 4.25Å; F490-T495 PolarHBondContact O-OG1 3.42Å; T492-T495 PolarHBondContact N-OG1 2.99Å; T492-T495 PolarHBondContact O-N 3.25Å; T492-T495 PolarHBondContact OG1-OG1 3.21Å
496H91.4Very high77.8Confident155 Ų155105.7 Ų105.772%0.71856%0.558SS**  trans-135.4152.5174.363-80.4000109.3V498H496-V498 VanDerWaalsContact CD2-CG2 3.47Å; H496-V498 WeakPolarHBondContact CD2-CG2 3.36Å
497M87.4Confident75.1Confident125 Ų125110 Ų11062%0.61658%0.575SS**  trans-108.1121.3176.4-176.3-178.2-68.300108.4L491L491-M497 HydrophobicContact CD1-CB 4.22Å
498V84.9Confident72.2Confident100 Ų100109.9 Ų109.961%0.60658%0.584SS**  trans-100.1132.1174.5-174.80000108.4H496H496-V498 VanDerWaalsContact CD2-CG2 3.47Å; H496-V498 WeakPolarHBondContact CD2-CG2 3.36Å
499L75.8Confident69.7Low128 Ų128112.1 Ų112.167%0.6760%0.601SS**  trans-92.7112172.4-70.4164.9000108.2
500D69.1Low66.9Low130 Ų130105.7 Ų105.770%0.69559%0.587SS**PPolyproline II helixtrans-66.6157.8169.9-70.8-27.8000110.7
501Q60.8Low63.9Low168 Ų168107 Ų10779%0.78560%0.603SS**PPolyproline II helixtrans-53.1145.3179.2-68.8-174.22.900111.4H503Q501-H503 PolarHBondContact O-CE1 2.94Å; Q501-H503 PolarHBondContact O-N 3.37Å; Q501-H503 VanDerWaalsContact O-N 3.09Å; Q501-H503 PolarHBondContact O-ND1 2.73Å
502P58.3Low61Low120 Ų120106.7 Ų106.778%0.77961%0.608SS**PPolyproline II helixtrans-60.5117.5-172.422.4-32.1000111.1
503H50.4Low58.1Low150 Ų150111.6 Ų111.669%0.69464%0.64SS**PPolyproline II helixtrans-82.7142.4175-68.568.6000109.8Q501 L505Q501-H503 PolarHBondContact O-CE1 2.94Å; Q501-H503 PolarHBondContact O-N 3.37Å; Q501-H503 VanDerWaalsContact O-N 3.09Å; Q501-H503 PolarHBondContact O-ND1 2.73Å; H503-L505 PolarHBondContact O-N 3.01Å
504P47Very low55.1Low119 Ų119112.8 Ų112.877%0.77365%0.645SS**PPolyproline II helixtrans-62.3128.1172.924.5-30.7000109.7T506P504-T506 PolarHBondContact O-N 3.41Å; P504-T506 VanDerWaalsContact O-N 3.12Å
505L45.3Very low52.2Low121 Ų121116.8 Ų116.863%0.63467%0.674SS**  trans-60.2114.9171.8-72.7163.7000108.3V16 H503 Q507V16-L505 HydrophobicContact CG2-CD1 4.25Å; H503-L505 PolarHBondContact O-N 3.01Å; L505-Q507 PolarHBondContact O-N 3.46Å
506T37.9Very low49.1Very low118 Ų118119.5 Ų119.572%0.72471%0.706SS**  trans-61.2133.8169.726.90000109.2P504 A508 S509P504-T506 PolarHBondContact O-N 3.41Å; P504-T506 VanDerWaalsContact O-N 3.12Å; T506-A508 PolarHBondContact O-N 2.97Å; T506-S509 PolarHBondContact O-N 3.33Å
507Q36.9Very low46Very low202 Ų202116.9 Ų116.994%0.94471%0.712SS**THydrogen-bonded Turntrans-55.8-2.3-173.2-112171.7-15.600115.9L505L505-Q507 PolarHBondContact O-N 3.46Å
508A33.5Very low43Very low98 Ų98115.5 Ų115.581%0.8172%0.72SS**THydrogen-bonded Turntrans-86.1-6-176.600000115.2T506T506-A508 PolarHBondContact O-N 2.97Å
509S37.4Very low40.1Very low57 Ų57116.3 Ų116.340%0.39973%0.73SS.*SBendtrans-109.40.4-173-167.50000115.2T506T506-S509 PolarHBondContact O-N 3.33Å
510V34.1Very low38.1Very low89 Ų89116 Ų11654%0.53974%0.735SS.*  trans-128.287.6176.2-173.10000109.2
511A30.3Very low35.9Very low57 Ų57113.9 Ų113.947%0.47174%0.736SS.*PPolyproline II helixtrans-65.4133.1162.300000109
512P31.5Very low34.2Very low109 Ų109114 Ų11471%0.70874%0.742SS**PPolyproline II helixtrans-62.1142.9161.2-7.721.7000108.8T514P512-T514 PolarHBondContact O-N 2.68Å
513P31Very low32.5Very low122 Ų122116.2 Ų116.279%0.79274%0.742SS**PPolyproline II helixtrans-62.3130.8170.525.1-30.5000109.7
514T27.5Very low31.3Very low138 Ų138116.2 Ų116.285%0.84775%0.747SS**PPolyproline II helixtrans-56.8125.8-177.611.20000112.4P512P512-T514 PolarHBondContact O-N 2.68Å
515P32.5Very low30.4Very low123 Ų123115.8 Ų115.880%0.79974%0.744SS**PPolyproline II helixtrans-80.1131.9159.7-3.921.8000109.4A517P515-A517 PolarHBondContact O-N 2.97Å
516G28.1Very low29.3Very low80 Ų80118.5 Ų118.583%0.82575%0.753SS**PPolyproline II helixtrans-65.8126.7174.500000113.2
517A27Very low28.6Very low101 Ų101119.6 Ų119.684%0.83576%0.76SS**SBendtrans54.4106.2146.800000122.2P515P515-A517 PolarHBondContact O-N 2.97Å
518A23.8Very low28Very low96 Ų96121 Ų12179%0.79376%0.757SS**  trans78.494.7133.400000123
519S23.5Very low27.5Very low117 Ų117128.2 Ų128.282%0.81876%0.763SS**  38.3161.7114-62.40000124
520P33.7Very low27Very low120 Ų120134.4 Ų134.478%0.77979%0.785SS**  cis-139.7175.2-8.728.6-4.4000117.5
521A23.1Very low26.7Very low87 Ų87136.2 Ų136.272%0.71980%0.799SS**  trans81111.6144.400000121.2
522N26.1Very low26.3Very low169 Ų169142.4 Ų142.490%0.90482%0.818SS**  -159.1131.5101.2-108.8-7.8000112.9
523E22.5Very low26.3Very low168 Ų168149 Ų14979%0.78583%0.829SS**  trans-82.9135.9175.7-105.8177.3-175.700110.4
524L25.2Very low26.1Very low150 Ų150149 Ų14979%0.78583%0.829SS**  143168.9103.1-90.2143.6000107.7
525P26.6Very low25.9Very low109 Ų109145.7 Ų145.771%0.70882%0.822SS**  cis-128.4163.8-33.427.8-8.8000113.4
526E23.1Very low25.6Very low178 Ų178150.5 Ų150.583%0.83283%0.831SS**  trans-61.8139164.8-64.4179.7145.900112.5
527T23.5Very low25.3Very low142 Ų142154.4 Ų154.487%0.87183%0.832SS**  trans-124.1113.1150.539.20000109.6
528R24.6Very low25.5Very low232 Ų232154.9 Ų154.988%0.87583%0.83SS**  trans-60.8127.4167.6-72.7174.6170179.2-4.7111
529R23.3Very low25.4Very low248 Ų248159 Ų15994%0.93683%0.833SS**  trans-142.9124.3144.1-79.6-167.5175.3176.7-2.3109.4
530E26.5Very low25.5Very low187 Ų187161.3 Ų161.387%0.87483%0.83SS**PPolyproline II helixtrans-65.1158.2167.3-83.1-174.7153.500111.4
531P26.3Very low25.1Very low127 Ų127161.6 Ų161.683%0.82583%0.832SS**PPolyproline II helixtrans-91121.9-164.933.7-29.4000112.4
532E23.1Very low25.1Very low187 Ų187164.9 Ų164.987%0.87484%0.837SS**PPolyproline II helixtrans-82.5130.5155.6-74.6-173159.200109.2P534E532-P534 WeakPolarHBondContact O-CD 3.39Å
533R31.7Very low25.3Very low248 Ų248160.6 Ų160.694%0.93683%0.834SS**PPolyproline II helixtrans-68137167.7-75.6177173.7178.5-1.7109.5
534P26Very low25.5Very low123 Ų123162 Ų16280%0.79984%0.837SS**  trans-130.6137.8133.515.15.6000113E532E532-P534 WeakPolarHBondContact O-CD 3.39Å
535G23.3Very low25.6Very low68 Ų68160 Ų16070%0.70184%0.836SS**  trans39.1112.6140.600000119.4L537G535-L537 PolarHBondContact O-N 2.75Å
536F25.7Very low26Very low224 Ų224161.1 Ų161.198%0.98283%0.834SS**  trans-54.599.8151.4-87-98.6000109.7
537L23.3Very low26.9Very low161 Ų161157.5 Ų157.584%0.84383%0.829SS**  trans-111.1117.5154.6-77.1171.9000107.5G535 E539G535-L537 PolarHBondContact O-N 2.75Å; L537-E539 VanDerWaalsContact C-N 3.34Å; L537-E539 PolarHBondContact O-N 3.23Å
538S30.1Very low28.3Very low112 Ų112153.3 Ų153.378%0.78380%0.801SS**  trans-63.390.8170.3161.90000109.2
539E22.9Very low30.2Very low183 Ų183143.5 Ų143.586%0.85577%0.768SS**  trans-86.6102.9154.9-80.7-172.6157.100108.1L537L537-E539 VanDerWaalsContact C-N 3.34Å; L537-E539 PolarHBondContact O-N 3.23Å
540Q24.6Very low32.4Very low164 Ų164135.3 Ų135.377%0.76674%0.739SS**  trans-53.3132.5157.2-73.8-178.3-30.700107.7D542Q540-D542 PolarHBondContact O-N 3.28Å
541P26Very low35.1Very low126 Ų126126.5 Ų126.582%0.81870%0.698SS**  trans-66.1109.2166.925.9-27.5000106.9G543P541-G543 PolarHBondContact O-N 3.23Å
542D23.3Very low38.1Very low156 Ų156120.5 Ų120.583%0.83466%0.659SS**  trans-41.3135168.5-100.7-32.8000110.2Q540 K544Q540-D542 PolarHBondContact O-N 3.28Å; D542-K544 VanDerWaalsContact C-N 3.33Å; D542-K544 PolarHBondContact O-N 3.45Å
543G30.4Very low41.3Very low80 Ų80111.6 Ų111.683%0.82562%0.617SS**  trans-58.287.5-174.200000113P541 S545P541-G543 PolarHBondContact O-N 3.23Å; G543-S545 PolarHBondContact O-N 3.04Å
544K26.3Very low43.8Very low196 Ų196100.6 Ų100.685%0.85258%0.577SS**  trans-82.493.5149.6-78.2-177.5-180175.10107.1D542 I546D542-K544 VanDerWaalsContact C-N 3.33Å; D542-K544 PolarHBondContact O-N 3.45Å; K544-I546 PolarHBondContact O-N 3.04Å
545S26.9Very low46.5Very low109 Ų10995.6 Ų95.676%0.76255%0.547SS*.  trans-45.8100.2161.2148.10000108.6G543 S547G543-S545 PolarHBondContact O-N 3.04Å; S545-S547 PolarHBondContact O-N 2.98Å; S545-S547 VanDerWaalsContact O-N 3.07Å
546I34.5Very low49.1Very low132 Ų13292.8 Ų92.868%0.67752%0.517SS*.  trans-56.5116.9164.7-62.2172.1000105.3K544 I548K544-I546 PolarHBondContact O-N 3.04Å; I546-I548 HydrophobicContact CG2-CG1 4.16Å; I546-I548 PolarHBondContact O-N 3.15Å
547S41.8Very low51.4Low103 Ų10382.1 Ų82.172%0.7247%0.47SS*.  trans-70.284.2174.9620000108.3S545 S549S545-S547 PolarHBondContact O-N 2.98Å; S545-S547 VanDerWaalsContact O-N 3.07Å; S547-S549 PolarHBondContact O-N 3.16Å
548I53.7Low54.4Low54 Ų5477.2 Ų77.228%0.27744%0.442SS..  trans-66.9124.4177-59.7169.8000107.3I546 Y765I546-I548 HydrophobicContact CG2-CG1 4.16Å; I546-I548 PolarHBondContact O-N 3.15Å; I548-Y765 HydrophobicContact CD1-CE2 3.81Å
549S63.7Low57.3Low26 Ų2671.9 Ų71.918%0.18241%0.405CS..  trans-62.3143.9172.6102.70000109.7S547 T551 I703S547-S549 PolarHBondContact O-N 3.16Å; S549-T551 PolarHBondContact O-N 3.46Å; S549-T551 VanDerWaalsContact O-N 3.13Å; S549-T551 PolarHBondContact OG-N 3.17Å; S549-I703 VanDerWaalsContact CB-O 3.32Å; S549-I703 WeakPolarHBondContact CB-O 3.18Å; S549-I703 PolarHBondContact OG-O 2.87Å
550K69.6Low60.4Low75 Ų7563.3 Ų63.333%0.32637%0.365SS..SBendtrans-72.3-4.9-177.9-59172.1-164.91340112.8S552 E562 V771K550-S552 PolarHBondContact O-N 3.49Å; K550-S552 PolarHBondContact O-OG 2.79Å; K550-E562 HydrophobicContact CB-CB 4.2Å; K550-E562 WeakPolarHBondContact CB-OE2 3.47Å; K550-E562 WeakPolarHBondContact CG-OE2 2.98Å; K550-E562 PolarHBondContact N-OE2 3.32Å; K550-E562 IonicContact NZ-OE1 2.8Å; K550-E562 PolarHBondContact NZ-OE1 2.79Å; K550-V771 HydrophobicContact CD-CG1 4.16Å; K550-V771 HydrophobicContact CD-CG2 4.22Å
551T84.4Confident63.3Low2 Ų255.6 Ų55.61%0.01233%0.329CS..  trans-69.5113.3-178.8-59.70000111S549 V560 V561 E562 I703 L717 L721S549-T551 PolarHBondContact O-N 3.46Å; S549-T551 VanDerWaalsContact O-N 3.13Å; S549-T551 PolarHBondContact OG-N 3.17Å; T551-V560 CarbonylContact C-O 3.55Å; T551-V560 VanDerWaalsContact CA-O 3.23Å; T551-V560 WeakPolarHBondContact CA-O 3.46Å; T551-V561 HydrophobicContact CG2-CG2 4.46Å; T551-E562 PolarHBondContact OG1-N 2.9Å; T551-I703 HydrophobicContact CG2-CD1 3.92Å; T551-I703 HydrophobicContact CG2-CG1 4.47Å; T551-I703 PolarHBondContact O-N 3.33Å; T551-L717 HydrophobicContact CG2-CB 4.11Å; T551-L717 HydrophobicContact CG2-CD2 3.93Å; T551-L717 HydrophobicContact CG2-CG 4.45Å; T551-L721 HydrophobicContact CG2-CD2 4.47Å
552S88.9Confident66.1Low1 Ų151.6 Ų51.61%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-158.2160.3-165.955.80000113.8K550 F559 V560 F701K550-S552 PolarHBondContact O-N 3.49Å; K550-S552 PolarHBondContact O-OG 2.79Å; S552-F559 WeakPolarHBondContact O-CA 3.47Å; S552-V560 PolarHBondContact N-O 3.12Å; S552-V560 PolarHBondContact O-N 3.35Å; S552-F701 CarbonylContact C-O 3.6Å; S552-F701 WeakPolarHBondContact CA-O 3.17Å; S552-F701 WeakPolarHBondContact CB-O 3.3Å
553A89.4Confident68.9Low0 Ų044.2 Ų44.20%026%0.26CS..EExtended strand (participates in β ladder)trans-134.7115.2169.400000109.3H558 F559 F616 F701 L717A553-H558 WeakPolarHBondContact CA-O 3.44Å; A553-F559 HydrophobicContact CB-CD1 3.61Å; A553-F559 HydrophobicContact CB-CE1 3.53Å; A553-F559 HydrophobicContact CB-CG 4.26Å; A553-F559 HydrophobicContact CB-CZ 4.11Å; A553-F616 HydrophobicContact CB-CE2 3.88Å; A553-F701 PolarHBondContact N-O 3.33Å; A553-F701 PolarHBondContact O-N 2.91Å; A553-L717 HydrophobicContact CB-CD1 4.26Å
554D85.1Confident70.7Confident18 Ų1844 Ų4410%0.09624%0.244CC..EExtended strand (participates in β ladder)trans-148.9156.3-173.2-157.5-0.6000112.6H558 H686 H698 G700 Y702D554-H558 PolarHBondContact N-O 3.37Å; D554-H558 PolarHBondContact O-N 2.9Å; D554-H686 VanDerWaalsContact CG-NE2 3.3Å; D554-H686 IonicContact OD1-CD2 2.69Å; D554-H686 PolarHBondContact OD1-CD2 2.83Å; D554-H686 IonicContact OD1-CE1 3.01Å; D554-H686 IonicContact OD1-NE2 2.99Å; D554-H686 PolarHBondContact OD1-NE2 3.32Å; D554-H686 IonicContact OD2-CE1 3.42Å; D554-H686 IonicContact OD2-NE2 3.77Å; D554-H686 PolarHBondContact OD2-NE2 3.16Å; D554-H698 IonicContact OD1-NE2 3.92Å; D554-G700 VanDerWaalsContact OD1-CA 3.29Å; D554-G700 WeakPolarHBondContact OD1-CA 3.31Å; D554-Y702 HydrophobicContact CB-CE2 4.26Å; D554-Y702 WeakPolarHBondContact CB-OH 3.47Å; D554-Y702 PolarHBondContact OD2-OH 2.85Å
555G82.4Confident72.7Confident17 Ų1739.5 Ų39.518%0.17523%0.229CC..THydrogen-bonded Turntrans67-129.1-176.600000113.2P557 Y615G555-P557 WeakPolarHBondContact O-CA 3.48Å; G555-Y615 WeakPolarHBondContact O-CD1 3.44Å
556D77.7Confident75Confident10 Ų1036 Ų365%0.05321%0.205CC..THydrogen-bonded Turntrans-97.175.3-170.1176.726.5000115.1K610 R613 T614 Y615D556-K610 VanDerWaalsContact CG-NZ 3.33Å; D556-K610 IonicContact OD1-NZ 2.72Å; D556-K610 WeakPolarHBondContact OD2-CD 3.41Å; D556-K610 IonicContact OD2-NZ 3.52Å; D556-K610 PolarHBondContact OD2-NZ 3.4Å; D556-R613 HydrophobicContact CB-CB 4.38Å; D556-R613 WeakPolarHBondContact OD1-CA 3.33Å; D556-R613 WeakPolarHBondContact OD2-CG 3.33Å; D556-T614 CarbonylContact C-O 3.48Å; D556-T614 WeakPolarHBondContact CA-O 3.45Å; D556-T614 PolarHBondContact OD1-N 2.86Å; D556-T614 PolarHBondContact OD1-OG1 3.19Å; D556-Y615 HydrophobicContact CB-CE1 4.42Å
557P75.6Confident77.1Confident0 Ų038.7 Ų38.70%021%0.211CC..THydrogen-bonded Turn-53.9116.9-91.530.5-31.5000110.5G555 F559 L599 T614 F616G555-P557 WeakPolarHBondContact O-CA 3.48Å; P557-F559 HydrophobicContact CB-CD2 4.5Å; P557-F559 HydrophobicContact CB-CE2 3.77Å; P557-F559 HydrophobicContact CB-CZ 4.21Å; P557-F559 HydrophobicContact CG-CE2 3.81Å; P557-F559 HydrophobicContact CG-CZ 4.34Å; P557-F559 WeakPolarHBondContact O-CD2 3.3Å; P557-F559 WeakPolarHBondContact O-CE2 3.35Å; P557-L599 HydrophobicContact CG-CD2 4.16Å; P557-T614 VanDerWaalsContact CD-O 3.28Å; P557-T614 WeakPolarHBondContact CD-O 3.19Å; P557-T614 VanDerWaalsContact CD-OG1 3.24Å; P557-T614 WeakPolarHBondContact CD-OG1 3.4Å; P557-F616 HydrophobicContact CB-CD2 4.42Å; P557-F616 HydrophobicContact CB-CE2 3.69Å; P557-F616 HydrophobicContact CB-CZ 4.12Å
558H86.2Confident79.1Confident57 Ų5735.5 Ų35.526%0.26419%0.186SC..EExtended strand (participates in β ladder)trans-87.7122.5170.2-65.9-39.7000108.6A553 D554 N573 R762A553-H558 WeakPolarHBondContact CA-O 3.44Å; D554-H558 PolarHBondContact N-O 3.37Å; D554-H558 PolarHBondContact O-N 2.9Å; H558-N573 PolarHBondContact CE1-OD1 2.83Å; H558-N573 VanDerWaalsContact ND1-CG 3.31Å; H558-N573 PolarHBondContact ND1-OD1 3.2Å; H558-R762 PolarHBondContact CD2-NH1 2.91Å; H558-R762 PolarHBondContact CE1-NH1 2.92Å; H558-R762 PolarHBondContact ND1-NH1 3.05Å; H558-R762 PolarHBondContact ND1-NH2 2.93Å; H558-R762 PolarHBondContact NE2-NH1 2.97Å
559F89.5Confident80.7Confident1 Ų133.7 Ų33.70%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-97.1134.4177-65.1-102.6000108.9S552 A553 P557 C571 F572 I574 L582 L584 F616 L716 L717S552-F559 WeakPolarHBondContact O-CA 3.47Å; A553-F559 HydrophobicContact CB-CD1 3.61Å; A553-F559 HydrophobicContact CB-CE1 3.53Å; A553-F559 HydrophobicContact CB-CG 4.26Å; A553-F559 HydrophobicContact CB-CZ 4.11Å; P557-F559 HydrophobicContact CB-CD2 4.5Å; P557-F559 HydrophobicContact CB-CE2 3.77Å; P557-F559 HydrophobicContact CB-CZ 4.21Å; P557-F559 HydrophobicContact CG-CE2 3.81Å; P557-F559 HydrophobicContact CG-CZ 4.34Å; P557-F559 WeakPolarHBondContact O-CD2 3.3Å; P557-F559 WeakPolarHBondContact O-CE2 3.35Å; F559-C571 CarbonylContact O-C 3.53Å; F559-C571 WeakPolarHBondContact O-CA 3.41Å; F559-C571 WeakPolarHBondContact O-CB 3.38Å; F559-F572 HydrophobicContact CB-CD1 3.99Å; F559-F572 HydrophobicContact CB-CD2 3.79Å; F559-F572 HydrophobicContact CB-CE1 3.7Å; F559-F572 HydrophobicContact CB-CE2 3.49Å; F559-F572 VanDerWaalsContact CB-CE2 3.49Å; F559-F572 HydrophobicContact CB-CG 4.04Å; F559-F572 HydrophobicContact CB-CZ 3.44Å; F559-F572 VanDerWaalsContact CB-CZ 3.44Å; F559-F572 HydrophobicContact CD1-CE2 4.03Å; F559-F572 HydrophobicContact CD1-CZ 4.04Å; F559-F572 HydrophobicContact CD2-CD2 4.09Å; F559-F572 AromaticContact CD2-CE2 3.83Å; F559-F572 HydrophobicContact CD2-CE2 3.83Å; F559-F572 HydrophobicContact CG-CD2 4.06Å; F559-F572 AromaticContact CG-CE2 3.51Å; F559-F572 HydrophobicContact CG-CE2 3.51Å; F559-F572 AromaticContact CG-CZ 3.77Å; F559-F572 HydrophobicContact CG-CZ 3.77Å; F559-F572 PolarHBondContact N-O 3.11Å; F559-F572 PolarHBondContact O-N 3.02Å; F559-I574 HydrophobicContact CD2-CB 4.44Å; F559-I574 HydrophobicContact CD2-CG1 4.05Å; F559-I574 HydrophobicContact CE2-CB 3.75Å; F559-I574 HydrophobicContact CE2-CG1 3.65Å; F559-I574 HydrophobicContact CZ-CB 4.4Å; F559-I574 HydrophobicContact CZ-CG1 4.17Å; F559-L582 HydrophobicContact CZ-CD1 4.47Å; F559-L584 HydrophobicContact CE1-CD2 4.02Å; F559-L584 HydrophobicContact CZ-CD2 4.49Å; F559-F616 HydrophobicContact CZ-CZ 4.3Å; F559-L716 HydrophobicContact CE1-CB 4.09Å; F559-L716 HydrophobicContact CE1-CD1 4.15Å; F559-L716 HydrophobicContact CZ-CD1 4.09Å; F559-L717 HydrophobicContact CD1-CD2 3.8Å; F559-L717 HydrophobicContact CD1-CG 4.26Å
560V87.6Confident81.8Confident3 Ų332.5 Ų32.52%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-124.7131.8170.8-179.10000106.3T551 S552 T569 C571 I764T551-V560 CarbonylContact C-O 3.55Å; T551-V560 VanDerWaalsContact CA-O 3.23Å; T551-V560 WeakPolarHBondContact CA-O 3.46Å; S552-V560 PolarHBondContact N-O 3.12Å; S552-V560 PolarHBondContact O-N 3.35Å; V560-T569 HydrophobicContact CG1-CG2 3.55Å; V560-C571 HydrophobicContact CG2-CB 4.28Å; V560-I764 HydrophobicContact CG2-CG2 3.92Å
561V87.4Confident82.8Confident2 Ų229 Ų291%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-129.7125.7-179.2177.40000108T551 F563 T569 V570 F572 L717 F720T551-V561 HydrophobicContact CG2-CG2 4.46Å; V561-F563 HydrophobicContact CB-CE2 4.5Å; V561-F563 HydrophobicContact CG1-CD2 4.43Å; V561-F563 HydrophobicContact CG1-CE2 3.98Å; V561-F563 HydrophobicContact CG1-CZ 4.24Å; V561-T569 WeakPolarHBondContact O-CA 3.37Å; V561-V570 PolarHBondContact N-O 2.86Å; V561-V570 PolarHBondContact O-N 2.67Å; V561-F572 HydrophobicContact CG2-CE1 3.78Å; V561-F572 HydrophobicContact CG2-CZ 4.45Å; V561-L717 HydrophobicContact CG2-CD2 3.86Å; V561-F720 HydrophobicContact CB-CD2 4.32Å; V561-F720 HydrophobicContact CG1-CB 3.33Å; V561-F720 HydrophobicContact CG1-CD2 3.72Å; V561-F720 HydrophobicContact CG1-CG 3.71Å; V561-F720 HydrophobicContact CG2-CD2 3.84Å; V561-F720 HydrophobicContact CG2-CE2 4.29Å
562E83.9Confident83Confident41 Ų4129 Ų2919%0.19215%0.154CC..EExtended strand (participates in β ladder)trans-97.4130.1172.3-172.7163.8-141.400109.1K550 T551 P564K550-E562 HydrophobicContact CB-CB 4.2Å; K550-E562 WeakPolarHBondContact CB-OE2 3.47Å; K550-E562 WeakPolarHBondContact CG-OE2 2.98Å; K550-E562 PolarHBondContact N-OE2 3.32Å; K550-E562 IonicContact NZ-OE1 2.8Å; K550-E562 PolarHBondContact NZ-OE1 2.79Å; T551-E562 PolarHBondContact OG1-N 2.9Å; E562-P564 VanDerWaalsContact O-CD 3.27Å; E562-P564 WeakPolarHBondContact O-CD 3.46Å
563F81.1Confident83Confident1 Ų130.1 Ų30.10%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-95.399.1173.5-69.5-93.5000107.6V561 L565 S566 K567 L568 V570 F720 E723 V725V561-F563 HydrophobicContact CB-CE2 4.5Å; V561-F563 HydrophobicContact CG1-CD2 4.43Å; V561-F563 HydrophobicContact CG1-CE2 3.98Å; V561-F563 HydrophobicContact CG1-CZ 4.24Å; F563-L565 VanDerWaalsContact C-N 3.26Å; F563-L565 PolarHBondContact O-N 3.28Å; F563-S566 PolarHBondContact O-N 3.05Å; F563-K567 WeakPolarHBondContact O-CA 3.19Å; F563-K567 PolarHBondContact O-N 3.09Å; F563-L568 PolarHBondContact N-O 3.03Å; F563-V570 HydrophobicContact CD2-CG2 3.99Å; F563-V570 HydrophobicContact CE2-CB 3.86Å; F563-V570 HydrophobicContact CE2-CG2 3.44Å; F563-V570 VanDerWaalsContact CE2-CG2 3.44Å; F563-V570 HydrophobicContact CZ-CG2 4.41Å; F563-F720 HydrophobicContact CE1-CB 3.88Å; F563-F720 AromaticContact CE1-CD1 3.76Å; F563-F720 HydrophobicContact CE1-CD1 3.76Å; F563-F720 HydrophobicContact CE1-CG 4.18Å; F563-F720 HydrophobicContact CZ-CB 4.01Å; F563-F720 AromaticContact CZ-CD1 3.59Å; F563-F720 HydrophobicContact CZ-CD1 3.59Å; F563-F720 HydrophobicContact CZ-CE1 4.3Å; F563-F720 AromaticContact CZ-CG 3.97Å; F563-F720 HydrophobicContact CZ-CG 3.97Å; F563-E723 HydrophobicContact CD1-CB 4.4Å; F563-E723 HydrophobicContact CE1-CB 4.21Å; F563-V725 HydrophobicContact CB-CG2 3.83Å; F563-V725 HydrophobicContact CD1-CB 4.22Å; F563-V725 HydrophobicContact CD1-CG1 3.59Å; F563-V725 HydrophobicContact CD1-CG2 3.59Å; F563-V725 HydrophobicContact CD2-CG2 3.66Å; F563-V725 HydrophobicContact CE1-CB 4.31Å; F563-V725 HydrophobicContact CE1-CG1 3.29Å; F563-V725 HydrophobicContact CE1-CG2 4.02Å; F563-V725 HydrophobicContact CE2-CG1 4.38Å; F563-V725 HydrophobicContact CE2-CG2 4.1Å; F563-V725 HydrophobicContact CG-CB 4.46Å; F563-V725 HydrophobicContact CG-CG1 4.25Å; F563-V725 HydrophobicContact CG-CG2 3.38Å; F563-V725 HydrophobicContact CZ-CG1 3.73Å; F563-V725 HydrophobicContact CZ-CG2 4.26Å
564P68.6Low82.8Confident75 Ų7530.1 Ų30.149%0.48716%0.16SC..THydrogen-bonded Turntrans-64.1-35.6-168.9-21.134.7000112.1E562E562-P564 VanDerWaalsContact O-CD 3.27Å; E562-P564 WeakPolarHBondContact O-CD 3.46Å
565L69.4Low82.6Confident103 Ų10332.7 Ų32.754%0.53917%0.174SC..THydrogen-bonded Turntrans-69-41.5-179.2-61.8174.9000112.1F563 E724F563-L565 VanDerWaalsContact C-N 3.26Å; F563-L565 PolarHBondContact O-N 3.28Å; L565-E724 HydrophobicContact CB-CG 3.66Å; L565-E724 HydrophobicContact CD1-CG 3.57Å; L565-E724 HydrophobicContact CG-CG 4.26Å
566S75.5Confident82.7Confident36 Ų3632.1 Ų32.125%0.25217%0.167SC..THydrogen-bonded Turntrans-95.9-4.2-176.8-45.50000113.9F563 L568 V725F563-S566 PolarHBondContact O-N 3.05Å; S566-L568 PolarHBondContact O-N 2.89Å; S566-L568 VanDerWaalsContact O-N 3.16Å; S566-V725 VanDerWaalsContact CB-O 3.26Å; S566-V725 WeakPolarHBondContact CB-O 3.32Å; S566-V725 PolarHBondContact OG-N 3.38Å; S566-V725 PolarHBondContact OG-O 2.74Å
567K77.9Confident83.2Confident187 Ų18736.5 Ų36.581%0.81319%0.188SC*.THydrogen-bonded Turntrans51.331.6-173.9-60.1-178.7179.9176.80113.7F563F563-K567 WeakPolarHBondContact O-CA 3.19Å; F563-K567 PolarHBondContact O-N 3.09Å
568L83.3Confident83.7Confident37 Ų3739.1 Ų39.119%0.19420%0.204CC..EExtended strand (participates in β ladder)trans-106.1148.4179.5-74.9169.4000110.6F563 S566 V725 V727F563-L568 PolarHBondContact N-O 3.03Å; S566-L568 PolarHBondContact O-N 2.89Å; S566-L568 VanDerWaalsContact O-N 3.16Å; L568-V725 HydrophobicContact CB-CG2 4.11Å; L568-V725 HydrophobicContact CD1-CG2 3.93Å; L568-V725 WeakPolarHBondContact CD1-O 3.4Å; L568-V727 HydrophobicContact CD1-CG2 3.86Å; L568-V727 HydrophobicContact CD2-CG2 4.21Å
569T86.8Confident83.7Confident16 Ų1638.2 Ų38.210%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-120.5129.1175-51.90000110.2V560 V561 V771 C773 W774V560-T569 HydrophobicContact CG1-CG2 3.55Å; V561-T569 WeakPolarHBondContact O-CA 3.37Å; T569-V771 HydrophobicContact CG2-CG1 3.74Å; T569-C773 HydrophobicContact CG2-CB 4.03Å; T569-C773 WeakPolarHBondContact O-CA 3.5Å; T569-W774 PolarHBondContact O-N 3.1Å
570V88Confident83.8Confident1 Ų139.7 Ų39.71%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-120142.7179.9-1790000108.3V561 F563 L748 W774 L783V561-V570 PolarHBondContact N-O 2.86Å; V561-V570 PolarHBondContact O-N 2.67Å; F563-V570 HydrophobicContact CD2-CG2 3.99Å; F563-V570 HydrophobicContact CE2-CB 3.86Å; F563-V570 HydrophobicContact CE2-CG2 3.44Å; F563-V570 VanDerWaalsContact CE2-CG2 3.44Å; F563-V570 HydrophobicContact CZ-CG2 4.41Å; V570-L748 HydrophobicContact CG1-CD2 4.3Å; V570-L748 HydrophobicContact CG2-CD2 3.57Å; V570-W774 CarbonylContact C-O 3.54Å; V570-W774 VanDerWaalsContact CA-O 3.31Å; V570-W774 WeakPolarHBondContact CA-O 3.31Å; V570-W774 WeakPolarHBondContact CG1-O 3.32Å; V570-W774 HydrophobicContact CG2-CB 4.45Å; V570-L783 HydrophobicContact CG1-CD1 4.3Å; V570-L783 HydrophobicContact CG1-CD2 3.65Å
571C89.4Confident84Confident1 Ų139.7 Ų39.71%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-131146.617754.60000111.1F559 V560 R762 C773 W774 F775 A776F559-C571 CarbonylContact O-C 3.53Å; F559-C571 WeakPolarHBondContact O-CA 3.41Å; F559-C571 WeakPolarHBondContact O-CB 3.38Å; V560-C571 HydrophobicContact CG2-CB 4.28Å; C571-R762 HydrophobicContact CB-CG 4.29Å; C571-C773 HydrophobicContact CB-CB 3.66Å; C571-C773 WeakPolarHBondContact CB-SG 3.46Å; C571-C773 WeakPolarHBondContact SG-CB 3.35Å; C571-C773 CovalentContact SG-SG 2.03Å; C571-C773 PolarHBondContact SG-SG 3.32Å; C571-W774 PolarHBondContact N-O 2.91Å; C571-F775 CarbonylContact O-C 3.58Å; C571-F775 VanDerWaalsContact O-CA 3.22Å; C571-F775 WeakPolarHBondContact O-CA 3.31Å; C571-F775 WeakPolarHBondContact O-CD2 3.44Å; C571-A776 PolarHBondContact O-N 2.83Å
572F89.9Confident84.3Confident1 Ų139.6 Ų39.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-152.8170.917960.1-88.5000109.9F559 V561 I574 F720 A776 A780 L783F559-F572 HydrophobicContact CB-CD1 3.99Å; F559-F572 HydrophobicContact CB-CD2 3.79Å; F559-F572 HydrophobicContact CB-CE1 3.7Å; F559-F572 HydrophobicContact CB-CE2 3.49Å; F559-F572 VanDerWaalsContact CB-CE2 3.49Å; F559-F572 HydrophobicContact CB-CG 4.04Å; F559-F572 HydrophobicContact CB-CZ 3.44Å; F559-F572 VanDerWaalsContact CB-CZ 3.44Å; F559-F572 HydrophobicContact CD1-CE2 4.03Å; F559-F572 HydrophobicContact CD1-CZ 4.04Å; F559-F572 HydrophobicContact CD2-CD2 4.09Å; F559-F572 AromaticContact CD2-CE2 3.83Å; F559-F572 HydrophobicContact CD2-CE2 3.83Å; F559-F572 HydrophobicContact CG-CD2 4.06Å; F559-F572 AromaticContact CG-CE2 3.51Å; F559-F572 HydrophobicContact CG-CE2 3.51Å; F559-F572 AromaticContact CG-CZ 3.77Å; F559-F572 HydrophobicContact CG-CZ 3.77Å; F559-F572 PolarHBondContact N-O 3.11Å; F559-F572 PolarHBondContact O-N 3.02Å; V561-F572 HydrophobicContact CG2-CE1 3.78Å; V561-F572 HydrophobicContact CG2-CZ 4.45Å; F572-I574 HydrophobicContact CD2-CD1 4.06Å; F572-I574 HydrophobicContact CD2-CG1 4.11Å; F572-I574 HydrophobicContact CE2-CD1 4.03Å; F572-I574 HydrophobicContact CE2-CG1 3.91Å; F572-F720 HydrophobicContact CE1-CE2 4.24Å; F572-F720 HydrophobicContact CZ-CE2 4.38Å; F572-A776 HydrophobicContact CB-CB 4.34Å; F572-A780 HydrophobicContact CB-CB 3.9Å; F572-A780 HydrophobicContact CD1-CB 4.38Å; F572-A780 HydrophobicContact CD2-CB 3.5Å; F572-A780 HydrophobicContact CE2-CB 4.04Å; F572-A780 HydrophobicContact CG-CB 3.69Å; F572-L783 HydrophobicContact CB-CD2 4.4Å; F572-L783 HydrophobicContact CD1-CD2 3.68Å; F572-L783 HydrophobicContact CE1-CD2 4.22Å; F572-L783 HydrophobicContact CG-CD2 4.23Å
573N87.6Confident84.8Confident25 Ų2539.5 Ų39.513%0.13422%0.216CC..EExtended strand (participates in β ladder)trans-122.2144.9173.9-55.3-15.4000107.8H558 R762 N779H558-N573 PolarHBondContact CE1-OD1 2.83Å; H558-N573 VanDerWaalsContact ND1-CG 3.31Å; H558-N573 PolarHBondContact ND1-OD1 3.2Å; N573-R762 PolarHBondContact OD1-NH2 3.05Å; N573-N779 VanDerWaalsContact O-CA 3.32Å; N573-N779 WeakPolarHBondContact O-CA 3.49Å
574I85.3Confident85.4Confident0 Ų039.5 Ų39.50%022%0.216CC..  trans-111.4117.3164.8-60.7-62.2000106.9F559 F572 G576 L582 L716 N779 A780 Y788F559-I574 HydrophobicContact CD2-CB 4.44Å; F559-I574 HydrophobicContact CD2-CG1 4.05Å; F559-I574 HydrophobicContact CE2-CB 3.75Å; F559-I574 HydrophobicContact CE2-CG1 3.65Å; F559-I574 HydrophobicContact CZ-CB 4.4Å; F559-I574 HydrophobicContact CZ-CG1 4.17Å; F572-I574 HydrophobicContact CD2-CD1 4.06Å; F572-I574 HydrophobicContact CD2-CG1 4.11Å; F572-I574 HydrophobicContact CE2-CD1 4.03Å; F572-I574 HydrophobicContact CE2-CG1 3.91Å; I574-G576 PolarHBondContact O-N 3.43Å; I574-L582 HydrophobicContact CG2-CD1 4.35Å; I574-L716 HydrophobicContact CD1-CD2 4.5Å; I574-L716 HydrophobicContact CG1-CD1 4.5Å; I574-L716 HydrophobicContact CG1-CD2 4.48Å; I574-N779 HydrophobicContact CD1-CB 4.29Å; I574-N779 WeakPolarHBondContact CD1-O 3.37Å; I574-A780 HydrophobicContact CD1-CB 4.39Å; I574-Y788 HydrophobicContact CG2-CD2 3.84Å; I574-Y788 HydrophobicContact CG2-CG 3.92Å
575N82.3Confident86.6Confident73 Ų7335.9 Ų35.939%0.3919%0.193SC..  trans-8879.1173.3-58.5-46.1000109K610 N779N575-K610 VanDerWaalsContact OD1-CE 3.3Å; N575-K610 WeakPolarHBondContact OD1-CE 3.29Å; N575-K610 PolarHBondContact OD1-NZ 3.19Å; N575-K610 VanDerWaalsContact OD1-NZ 3.09Å; N575-N779 PolarHBondContact N-OD1 3.23Å; N575-N779 PolarHBondContact ND2-OD1 3.38Å
576G83.6Confident87.7Confident4 Ų431.8 Ų31.84%0.04117%0.173CC..PPolyproline II helixtrans-80.7171.8174.100000112.5I574 T614I574-G576 PolarHBondContact O-N 3.43Å; G576-T614 WeakPolarHBondContact O-CG2 3.32Å
577E88.1Confident88.4Confident103 Ų10330.3 Ų30.348%0.48116%0.162SC..PPolyproline II helixtrans-92.8149175.8-69.2-62.414900111.6G579 D580 Q612E577-G579 PolarHBondContact O-N 3.2Å; E577-D580 PolarHBondContact N-OD2 3.22Å; E577-D580 VanDerWaalsContact O-CB 3.28Å; E577-D580 WeakPolarHBondContact O-CB 3.39Å; E577-D580 VanDerWaalsContact O-CG 3.31Å; E577-D580 PolarHBondContact O-N 3.09Å; E577-Q612 PolarHBondContact OE2-NE2 2.97Å
578P86.9Confident88.7Confident54 Ų5422.7 Ų22.735%0.35113%0.129SC..THydrogen-bonded Turntrans-54.8124.1172-26.534.7000111.2T614P578-T614 HydrophobicContact CG-CG2 4.37Å
579G85.4Confident88.6Confident38 Ų3828 Ų2839%0.39215%0.146SC..THydrogen-bonded Turntrans104.9-22.9-176.300000114E577 R598 L599E577-G579 PolarHBondContact O-N 3.2Å; G579-R598 PolarHBondContact O-NH1 2.76Å; G579-L599 PolarHBondContact N-O 2.85Å
580D91.3Very high88.5Confident33 Ų3332.7 Ų32.718%0.17616%0.163CC..  trans-54.9139.4176.5-74.1-6.9000110.8E577 L582 R598 L599E577-D580 PolarHBondContact N-OD2 3.22Å; E577-D580 VanDerWaalsContact O-CB 3.28Å; E577-D580 WeakPolarHBondContact O-CB 3.39Å; E577-D580 VanDerWaalsContact O-CG 3.31Å; E577-D580 PolarHBondContact O-N 3.09Å; D580-L582 HydrophobicContact CB-CD2 4.41Å; D580-R598 CarbonylContact O-C 3.48Å; D580-R598 WeakPolarHBondContact O-CA 3.32Å; D580-L599 HydrophobicContact CB-CD1 4.21Å; D580-L599 PolarHBondContact O-N 3.27Å
581V92.1Very high88.3Confident3 Ų334.1 Ų34.12%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-110112.1172.7-177.70000108.2N596 G597 R598 V792 T793 L796V581-N596 HydrophobicContact CG1-CB 3.9Å; V581-G597 CarbonylContact C-O 3.47Å; V581-G597 WeakPolarHBondContact CA-O 3.3Å; V581-R598 HydrophobicContact CG2-CB 4.37Å; V581-R598 HydrophobicContact CG2-CG 4.34Å; V581-V792 CarbonylContact O-C 3.48Å; V581-V792 WeakPolarHBondContact O-CA 3.21Å; V581-T793 WeakPolarHBondContact CG1-OG1 3.44Å; V581-T793 PolarHBondContact O-N 3.24Å; V581-L796 HydrophobicContact CG1-CD1 3.95Å
582L93.1Very high88.2Confident0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-96.5132-175.6-59.1-176.1000111.7F559 I574 D580 L584 N596 G597 L599 F616 L716 V792F559-L582 HydrophobicContact CZ-CD1 4.47Å; I574-L582 HydrophobicContact CG2-CD1 4.35Å; D580-L582 HydrophobicContact CB-CD2 4.41Å; L582-L584 HydrophobicContact CB-CD2 4.41Å; L582-L584 PolarHBondContact O-N 3.1Å; L582-N596 CarbonylContact O-C 3.6Å; L582-N596 VanDerWaalsContact O-CA 3.27Å; L582-N596 WeakPolarHBondContact O-CA 3.21Å; L582-G597 PolarHBondContact N-O 2.94Å; L582-G597 PolarHBondContact O-N 2.85Å; L582-L599 HydrophobicContact CD1-CD1 3.94Å; L582-L599 HydrophobicContact CD1-CD2 4.32Å; L582-L599 HydrophobicContact CD1-CG 4.22Å; L582-L599 HydrophobicContact CG-CD1 4.31Å; L582-L599 HydrophobicContact CG-CG 4.39Å; L582-F616 HydrophobicContact CD1-CE1 4.33Å; L582-F616 HydrophobicContact CD1-CZ 4.37Å; L582-L716 HydrophobicContact CB-CD1 4.01Å; L582-L716 HydrophobicContact CD1-CD1 4.07Å; L582-L716 HydrophobicContact CG-CD1 4.46Å; L582-V792 HydrophobicContact CD2-CG2 3.93Å
583R94.4Very high88.2Confident39 Ų3934.1 Ų34.115%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-79.2103.2173-175.9166.3-76.7140.9-0.8111N596 L716 Y791 T793 D798R583-N596 WeakPolarHBondContact CA-OD1 3.25Å; R583-L716 PolarHBondContact O-N 3.41Å; R583-Y791 WeakPolarHBondContact CB-O 3.42Å; R583-Y791 PolarHBondContact N-O 3.08Å; R583-T793 HydrophobicContact CB-CG2 3.96Å; R583-T793 VanDerWaalsContact CZ-CG2 3.4Å; R583-T793 VanDerWaalsContact NH2-CG2 3.31Å; R583-D798 PolarHBondContact NH2-O 3.43Å; R583-D798 VanDerWaalsContact NH2-O 3.12Å; R583-D798 IonicContact NH2-OD1 2.75Å; R583-D798 IonicContact NH2-OD2 2.74Å; R583-D798 PolarHBondContact NH2-OD2 2.93Å
584L93.8Very high88.5Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-82.1-46.3-176.8-56.8-178.3000111.6F559 L582 V595 F616 F701 G715 L716 L717 G718F559-L584 HydrophobicContact CE1-CD2 4.02Å; F559-L584 HydrophobicContact CZ-CD2 4.49Å; L582-L584 HydrophobicContact CB-CD2 4.41Å; L582-L584 PolarHBondContact O-N 3.1Å; L584-V595 HydrophobicContact CB-CB 4.47Å; L584-V595 HydrophobicContact CB-CG1 4.38Å; L584-V595 HydrophobicContact CD1-CG1 4.29Å; L584-V595 PolarHBondContact N-O 3.38Å; L584-F616 HydrophobicContact CD1-CZ 4.48Å; L584-F616 HydrophobicContact CD2-CE1 4.39Å; L584-F616 HydrophobicContact CD2-CZ 3.92Å; L584-F701 HydrophobicContact CB-CD1 4.46Å; L584-F701 HydrophobicContact CB-CE1 4.35Å; L584-F701 HydrophobicContact CD1-CB 4.06Å; L584-F701 HydrophobicContact CD1-CD1 3.77Å; L584-F701 HydrophobicContact CD1-CE1 4.36Å; L584-F701 HydrophobicContact CD1-CG 3.85Å; L584-G715 CarbonylContact O-C 3.54Å; L584-L716 PolarHBondContact O-N 3.03Å; L584-L717 PolarHBondContact O-N 2.69Å; L584-G718 PolarHBondContact O-N 3.08Å
585V93.7Very high88.9Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-138.5135.1-179.2-178.40000108.8T594 V595 F701 I703 L709 H714V585-T594 CarbonylContact O-C 3.55Å; V585-T594 WeakPolarHBondContact O-CA 3.22Å; V585-V595 HydrophobicContact CB-CB 4.02Å; V585-V595 HydrophobicContact CB-CG2 4.06Å; V585-V595 HydrophobicContact CG2-CB 4.42Å; V585-V595 HydrophobicContact CG2-CG2 4.48Å; V585-V595 PolarHBondContact N-O 3.42Å; V585-V595 PolarHBondContact O-N 3.22Å; V585-F701 HydrophobicContact CG2-CE1 4.07Å; V585-F701 HydrophobicContact CG2-CZ 4.18Å; V585-I703 HydrophobicContact CG2-CD1 3.97Å; V585-L709 HydrophobicContact CG1-CD1 4.31Å; V585-L709 HydrophobicContact CG1-CD2 4.32Å; V585-H714 CarbonylContact C-O 3.5Å; V585-H714 WeakPolarHBondContact CA-O 3.5Å
586S92.7Very high89.6Confident17 Ų1729.4 Ų29.412%0.11915%0.148CC..EExtended strand (participates in β ladder)trans-141.2109.5175.8-165.50000110.7H588 H714S586-H588 PolarHBondContact OG-ND1 3.38Å; S586-H714 PolarHBondContact N-O 2.8Å; S586-H714 PolarHBondContact O-N 3.09Å
587D90.3Very high90Very high4 Ų429.2 Ų29.22%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-142.130.4176.7-168.534.6000110.8R589 Y590 S591 G592 V593 L709 S710 C713D587-R589 VanDerWaalsContact C-N 3.25Å; D587-R589 PolarHBondContact O-N 3.48Å; D587-Y590 PolarHBondContact O-N 3.02Å; D587-Y590 VanDerWaalsContact O-N 3.15Å; D587-S591 VanDerWaalsContact CB-OG 3.31Å; D587-S591 WeakPolarHBondContact CB-OG 3.28Å; D587-S591 PolarHBondContact O-N 2.83Å; D587-S591 PolarHBondContact O-OG 2.71Å; D587-S591 WeakPolarHBondContact OD2-CB 3.03Å; D587-S591 PolarHBondContact OD2-N 3.06Å; D587-S591 PolarHBondContact OD2-OG 3.2Å; D587-G592 PolarHBondContact O-N 3.47Å; D587-V593 CarbonylContact C-O 3.56Å; D587-V593 PolarHBondContact N-O 3.15Å; D587-L709 HydrophobicContact CB-CD2 4.11Å; D587-S710 WeakPolarHBondContact OD1-CB 3.3Å; D587-S710 PolarHBondContact OD1-OG 2.92Å; D587-S710 PolarHBondContact OD2-N 3.12Å; D587-C713 HydrophobicContact CB-CB 4.13Å
588H84.4Confident90.3Very high28 Ų2827.7 Ų27.713%0.1314%0.136CC..THydrogen-bonded Turntrans-60.5-29.4-173.966.6-83.4000114S586 Y590 G592 V593 T799S586-H588 PolarHBondContact OG-ND1 3.38Å; H588-Y590 VanDerWaalsContact C-N 3.35Å; H588-G592 VanDerWaalsContact O-CA 3.31Å; H588-G592 WeakPolarHBondContact O-CA 3.48Å; H588-V593 PolarHBondContact N-O 2.98Å; H588-T799 PolarHBondContact CE1-O 3.06Å; H588-T799 PolarHBondContact ND1-O 3.09Å; H588-T799 VanDerWaalsContact ND1-O 3.15Å
589R82.6Confident90.5Very high148 Ų14825.3 Ų25.356%0.55812%0.12SC*.THydrogen-bonded Turntrans-73.4-26.5179.9-61.9-167.2176.5-155.1-0.5113.1D587 R625 N801D587-R589 VanDerWaalsContact C-N 3.25Å; D587-R589 PolarHBondContact O-N 3.48Å; R589-R625 PolarHBondContact O-NH1 2.59Å; R589-N801 PolarHBondContact NH2-OD1 3.18Å
590Y84.4Confident90.7Very high114 Ų11425.4 Ų25.445%0.44711%0.113SC..THydrogen-bonded Turntrans-111.8-73-174.2-60-81.6000111.6D587 H588 G592 S710 R712D587-Y590 PolarHBondContact O-N 3.02Å; D587-Y590 VanDerWaalsContact O-N 3.15Å; H588-Y590 VanDerWaalsContact C-N 3.35Å; Y590-G592 VanDerWaalsContact C-N 3.3Å; Y590-S710 WeakPolarHBondContact CD2-OG 3.33Å; Y590-R712 HydrophobicContact CD2-CB 4.11Å; Y590-R712 HydrophobicContact CE2-CB 3.72Å; Y590-R712 HydrophobicContact CE2-CG 4.17Å; Y590-R712 VanDerWaalsContact OH-CD 3.31Å; Y590-R712 WeakPolarHBondContact OH-CD 3.35Å; Y590-R712 PolarHBondContact OH-NH1 3.01Å
591S83.9Confident90.4Very high31 Ų3124.6 Ų24.622%0.21711%0.113CC..THydrogen-bonded Turntrans-76.5-17.2177.762.90000113.4D587 V593D587-S591 VanDerWaalsContact CB-OG 3.31Å; D587-S591 WeakPolarHBondContact CB-OG 3.28Å; D587-S591 PolarHBondContact O-N 2.83Å; D587-S591 PolarHBondContact O-OG 2.71Å; D587-S591 WeakPolarHBondContact OD2-CB 3.03Å; D587-S591 PolarHBondContact OD2-N 3.06Å; D587-S591 PolarHBondContact OD2-OG 3.2Å; S591-V593 VanDerWaalsContact C-N 3.33Å
592G85.9Confident90.1Very high1 Ų124.6 Ų24.61%0.0111%0.113CC..  trans854.3-177.700000113.8D587 H588 Y590 M623 D624D587-G592 PolarHBondContact O-N 3.47Å; H588-G592 VanDerWaalsContact O-CA 3.31Å; H588-G592 WeakPolarHBondContact O-CA 3.48Å; Y590-G592 VanDerWaalsContact C-N 3.3Å; G592-M623 CarbonylContact O-C 3Å; G592-M623 VanDerWaalsContact O-CA 3.22Å; G592-M623 WeakPolarHBondContact O-CA 3.37Å; G592-D624 PolarHBondContact O-N 2.83Å
593V90.9Very high89.5Confident1 Ų128 Ų281%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-102.9134.3-171.5179.50000112.2D587 H588 S591 V595 V621 V622 V675 I679 F681D587-V593 CarbonylContact C-O 3.56Å; D587-V593 PolarHBondContact N-O 3.15Å; H588-V593 PolarHBondContact N-O 2.98Å; S591-V593 VanDerWaalsContact C-N 3.33Å; V593-V595 HydrophobicContact CG1-CG2 4.33Å; V593-V621 HydrophobicContact CG1-CG1 4.29Å; V593-V622 CarbonylContact C-O 3.6Å; V593-V622 WeakPolarHBondContact CA-O 3.31Å; V593-V675 HydrophobicContact CG2-CG1 4.15Å; V593-I679 HydrophobicContact CG2-CD1 4.06Å; V593-F681 HydrophobicContact CG1-CE2 3.68Å; V593-F681 HydrophobicContact CG1-CZ 3.81Å
594T92.8Very high88.8Confident0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-131.9139.2166.5-59.40000110V585 V621 V622V585-T594 CarbonylContact O-C 3.55Å; V585-T594 WeakPolarHBondContact O-CA 3.22Å; T594-V621 CarbonylContact O-C 3.57Å; T594-V621 WeakPolarHBondContact O-CA 3.31Å; T594-V622 PolarHBondContact N-O 3.25Å; T594-V622 PolarHBondContact O-N 2.87Å
595V95.1Very high88Confident0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-124.7125.2175-173.40000110.1L584 V585 V593 V619 A620 V621 F681 F701L584-V595 HydrophobicContact CB-CB 4.47Å; L584-V595 HydrophobicContact CB-CG1 4.38Å; L584-V595 HydrophobicContact CD1-CG1 4.29Å; L584-V595 PolarHBondContact N-O 3.38Å; V585-V595 HydrophobicContact CB-CB 4.02Å; V585-V595 HydrophobicContact CB-CG2 4.06Å; V585-V595 HydrophobicContact CG2-CB 4.42Å; V585-V595 HydrophobicContact CG2-CG2 4.48Å; V585-V595 PolarHBondContact N-O 3.42Å; V585-V595 PolarHBondContact O-N 3.22Å; V593-V595 HydrophobicContact CG1-CG2 4.33Å; V595-V619 HydrophobicContact CG1-CG1 3.79Å; V595-A620 VanDerWaalsContact CA-O 3.3Å; V595-A620 WeakPolarHBondContact CA-O 3.48Å; V595-V621 HydrophobicContact CG1-CG2 4.37Å; V595-V621 HydrophobicContact CG2-CG1 4.22Å; V595-V621 HydrophobicContact CG2-CG2 4.14Å; V595-F681 HydrophobicContact CG2-CD2 4.35Å; V595-F681 HydrophobicContact CG2-CE1 4.39Å; V595-F681 HydrophobicContact CG2-CE2 3.96Å; V595-F681 HydrophobicContact CG2-CZ 3.97Å; V595-F701 HydrophobicContact CB-CE2 4.43Å; V595-F701 HydrophobicContact CB-CZ 4.22Å; V595-F701 HydrophobicContact CG1-CD2 4.14Å; V595-F701 HydrophobicContact CG1-CE2 3.59Å; V595-F701 HydrophobicContact CG1-CZ 3.79Å; V595-F701 HydrophobicContact CG2-CE2 4.34Å; V595-F701 HydrophobicContact CG2-CZ 4.14Å
596N95.4Very high86.9Confident0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-125146.3176.7-57.8-44000110.6V581 L582 R583 V619 A620 L796 D798V581-N596 HydrophobicContact CG1-CB 3.9Å; L582-N596 CarbonylContact O-C 3.6Å; L582-N596 VanDerWaalsContact O-CA 3.27Å; L582-N596 WeakPolarHBondContact O-CA 3.21Å; R583-N596 WeakPolarHBondContact CA-OD1 3.25Å; N596-V619 CarbonylContact O-C 3.45Å; N596-V619 WeakPolarHBondContact O-CA 3.4Å; N596-A620 PolarHBondContact N-O 3.32Å; N596-A620 PolarHBondContact O-N 3.32Å; N596-L796 HydrophobicContact CB-CD1 4.24Å; N596-L796 WeakPolarHBondContact CB-O 3.47Å; N596-L796 PolarHBondContact ND2-O 2.97Å; N596-L796 WeakPolarHBondContact O-CD1 3.48Å; N596-D798 PolarHBondContact ND2-O 2.95Å
597G93.9Very high85.7Confident0 Ų038.1 Ų38.10%022%0.223CC..EExtended strand (participates in β ladder)trans-127.6132.7177.600000112.3V581 L582 S618V581-G597 CarbonylContact C-O 3.47Å; V581-G597 WeakPolarHBondContact CA-O 3.3Å; L582-G597 PolarHBondContact N-O 2.94Å; L582-G597 PolarHBondContact O-N 2.85Å; G597-S618 CarbonylContact C-O 3.54Å; G597-S618 WeakPolarHBondContact CA-O 2.98Å
598R93.4Very high84.8Confident71 Ų7140.3 Ų40.327%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-92132.6177.1-176.1-178.5-65.9-76.76.3111.4G579 D580 V581 F616 S617 S618 L796G579-R598 PolarHBondContact O-NH1 2.76Å; D580-R598 CarbonylContact O-C 3.48Å; D580-R598 WeakPolarHBondContact O-CA 3.32Å; V581-R598 HydrophobicContact CG2-CB 4.37Å; V581-R598 HydrophobicContact CG2-CG 4.34Å; R598-F616 CarbonylContact O-C 3.53Å; R598-F616 VanDerWaalsContact O-CA 3.28Å; R598-F616 WeakPolarHBondContact O-CA 3.27Å; R598-S617 PolarHBondContact O-N 3.17Å; R598-S617 PolarHBondContact O-OG 3.31Å; R598-S618 VanDerWaalsContact CB-OG 3.25Å; R598-S618 WeakPolarHBondContact CB-OG 3.07Å; R598-S618 PolarHBondContact N-O 3.01Å; R598-L796 HydrophobicContact CB-CD1 4.1Å
599L91.6Very high84.1Confident3 Ų348.6 Ų48.62%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-84.6143175.2-62.3-175.2000112.7P557 G579 D580 L582 T614 Y615 F616P557-L599 HydrophobicContact CG-CD2 4.16Å; G579-L599 PolarHBondContact N-O 2.85Å; D580-L599 HydrophobicContact CB-CD1 4.21Å; D580-L599 PolarHBondContact O-N 3.27Å; L582-L599 HydrophobicContact CD1-CD1 3.94Å; L582-L599 HydrophobicContact CD1-CD2 4.32Å; L582-L599 HydrophobicContact CD1-CG 4.22Å; L582-L599 HydrophobicContact CG-CD1 4.31Å; L582-L599 HydrophobicContact CG-CG 4.39Å; L599-T614 HydrophobicContact CD1-CG2 4.5Å; L599-Y615 CarbonylContact C-O 3.54Å; L599-Y615 VanDerWaalsContact CA-O 3.3Å; L599-Y615 WeakPolarHBondContact CA-O 3.16Å; L599-F616 HydrophobicContact CD2-CD1 3.74Å; L599-F616 HydrophobicContact CD2-CE1 3.58Å; L599-F616 HydrophobicContact CD2-CG 4.38Å; L599-F616 HydrophobicContact CD2-CZ 4.11Å; L599-F616 HydrophobicContact CG-CE1 4.49Å
600V88.8Confident83.4Confident40 Ų4044.2 Ų44.224%0.24226%0.262CS..EExtended strand (participates in β ladder)trans-125.3138.9168.166.10000109.9T614 Y615V600-T614 CarbonylContact O-C 3.42Å; V600-T614 VanDerWaalsContact O-CA 3.28Å; V600-T614 WeakPolarHBondContact O-CA 3.48Å; V600-Y615 WeakPolarHBondContact CG1-O 3.31Å; V600-Y615 PolarHBondContact N-O 3.34Å; V600-Y615 PolarHBondContact O-N 2.94Å
601G86.3Confident82.7Confident16 Ų1648.8 Ų48.817%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-83.6148.7-179.500000114R613G601-R613 CarbonylContact C-O 3.56Å; G601-R613 WeakPolarHBondContact CA-O 3.43Å
602A84.3Confident82.7Confident3 Ų350.4 Ų50.43%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-135.4145.6165.700000109.9R613 Y615 R696A602-R613 HydrophobicContact CB-CB 4.44Å; A602-R613 PolarHBondContact N-O 2.93Å; A602-R613 PolarHBondContact O-N 2.71Å; A602-Y615 HydrophobicContact CB-CD2 4.21Å; A602-Y615 HydrophobicContact CB-CE2 3.83Å; A602-R696 HydrophobicContact CB-CG 3.82Å
603P82.1Confident82.6Confident73 Ų7354.1 Ų54.147%0.47430%0.302SS..EExtended strand (participates in β ladder)trans-46.9143.4171.1-28.331.9000112.8P693 Y694P603-P693 VanDerWaalsContact CD-O 3.26Å; P603-P693 WeakPolarHBondContact CD-O 3.34Å; P603-Y694 WeakPolarHBondContact O-CA 3.31Å; P603-Y694 WeakPolarHBondContact O-CB 3.33Å
604A78.6Confident82.5Confident29 Ų2954.2 Ų54.224%0.2430%0.303CS..PPolyproline II helixtrans-74.9144.717200000111K610A604-K610 WeakPolarHBondContact CB-O 3.49Å
605P76.9Confident82.4Confident25 Ų2554.7 Ų54.716%0.16231%0.305CS..PPolyproline II helixtrans-61.2151.9172.2-19.730.4000112.2G607 S608 Y694P605-G607 PolarHBondContact O-N 2.77Å; P605-S608 WeakPolarHBondContact O-CB 3.42Å; P605-S608 PolarHBondContact O-N 2.86Å; P605-S608 VanDerWaalsContact O-N 3.13Å; P605-Y694 HydrophobicContact CB-CD1 4.46Å; P605-Y694 HydrophobicContact CG-CD1 4.45Å; P605-Y694 HydrophobicContact CG-CD2 4.08Å; P605-Y694 HydrophobicContact CG-CG 4.01Å
606P70.9Confident82.3Confident130 Ų13054.7 Ų54.784%0.84431%0.305SS*.THydrogen-bonded Turntrans-53.9131.3173.8-23.132.7000111.7
607G67.4Low82.1Confident83 Ų8356.3 Ų56.386%0.85632%0.316SS*.THydrogen-bonded Turntrans834.9-178.700000115.7P605P605-G607 PolarHBondContact O-N 2.77Å
608S71.6Confident82Confident50 Ų5056.7 Ų56.735%0.3532%0.318SS..  trans-77137.8175.1169.60000112.3P605 K610P605-S608 WeakPolarHBondContact O-CB 3.42Å; P605-S608 PolarHBondContact O-N 2.86Å; P605-S608 VanDerWaalsContact O-N 3.13Å; S608-K610 PolarHBondContact O-N 2.8Å; S608-K610 PolarHBondContact OG-N 2.86Å; S608-K610 VanDerWaalsContact OG-N 3.08Å; S608-K610 PolarHBondContact OG-O 3.24Å
609H68.5Low82.1Confident203 Ų20353.3 Ų53.394%0.9431%0.306SS*.SBendtrans-71.3-13.6170.9-63.9-76.8000113.8
610K68.9Low82.2Confident56 Ų5653.1 Ų53.124%0.24331%0.305CS..SBendtrans-86.9140.5175-67-167.4175.3-165.30111.4D556 N575 A604 S608D556-K610 VanDerWaalsContact CG-NZ 3.33Å; D556-K610 IonicContact OD1-NZ 2.72Å; D556-K610 WeakPolarHBondContact OD2-CD 3.41Å; D556-K610 IonicContact OD2-NZ 3.52Å; D556-K610 PolarHBondContact OD2-NZ 3.4Å; N575-K610 VanDerWaalsContact OD1-CE 3.3Å; N575-K610 WeakPolarHBondContact OD1-CE 3.29Å; N575-K610 PolarHBondContact OD1-NZ 3.19Å; N575-K610 VanDerWaalsContact OD1-NZ 3.09Å; A604-K610 WeakPolarHBondContact CB-O 3.49Å; S608-K610 PolarHBondContact O-N 2.8Å; S608-K610 PolarHBondContact OG-N 2.86Å; S608-K610 VanDerWaalsContact OG-N 3.08Å; S608-K610 PolarHBondContact OG-O 3.24Å
611K70.6Confident82.4Confident209 Ų20951.3 Ų51.391%0.90929%0.294SS*.SBendtrans-66.7-36.7173.5-68.1-177.4179.2178.30113
612Q82.7Confident82.5Confident66 Ų6650.5 Ų50.531%0.30829%0.286SS..EExtended strand (participates in β ladder)trans-153.9162.9178.662.7-169.4-11.300110.5E577E577-Q612 PolarHBondContact OE2-NE2 2.97Å
613R84.5Confident82.6Confident78 Ų7851.1 Ų51.129%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-101.2150.1167.5-65.1-169167.7179.4-4.6109.8D556 G601 A602 Y615D556-R613 HydrophobicContact CB-CB 4.38Å; D556-R613 WeakPolarHBondContact OD1-CA 3.33Å; D556-R613 WeakPolarHBondContact OD2-CG 3.33Å; G601-R613 CarbonylContact C-O 3.56Å; G601-R613 WeakPolarHBondContact CA-O 3.43Å; A602-R613 HydrophobicContact CB-CB 4.44Å; A602-R613 PolarHBondContact N-O 2.93Å; A602-R613 PolarHBondContact O-N 2.71Å; R613-Y615 HydrophobicContact CB-CE2 3.85Å; R613-Y615 VanDerWaalsContact CD-OH 3.3Å; R613-Y615 WeakPolarHBondContact CD-OH 3.16Å
614T88.3Confident82.5Confident4 Ų449.6 Ų49.63%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-127.6134.7178.747.40000110.8D556 P557 G576 P578 L599 V600D556-T614 CarbonylContact C-O 3.48Å; D556-T614 WeakPolarHBondContact CA-O 3.45Å; D556-T614 PolarHBondContact OD1-N 2.86Å; D556-T614 PolarHBondContact OD1-OG1 3.19Å; P557-T614 VanDerWaalsContact CD-O 3.28Å; P557-T614 WeakPolarHBondContact CD-O 3.19Å; P557-T614 VanDerWaalsContact CD-OG1 3.24Å; P557-T614 WeakPolarHBondContact CD-OG1 3.4Å; G576-T614 WeakPolarHBondContact O-CG2 3.32Å; P578-T614 HydrophobicContact CG-CG2 4.37Å; L599-T614 HydrophobicContact CD1-CG2 4.5Å; V600-T614 CarbonylContact O-C 3.42Å; V600-T614 VanDerWaalsContact O-CA 3.28Å; V600-T614 WeakPolarHBondContact O-CA 3.48Å
615Y90.5Very high82.1Confident10 Ų1055.9 Ų55.94%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-129.7156.2-178.4-61.9-82.6000111G555 D556 L599 V600 A602 R613 S617 Y694 R696 H698G555-Y615 WeakPolarHBondContact O-CD1 3.44Å; D556-Y615 HydrophobicContact CB-CE1 4.42Å; L599-Y615 CarbonylContact C-O 3.54Å; L599-Y615 VanDerWaalsContact CA-O 3.3Å; L599-Y615 WeakPolarHBondContact CA-O 3.16Å; V600-Y615 WeakPolarHBondContact CG1-O 3.31Å; V600-Y615 PolarHBondContact N-O 3.34Å; V600-Y615 PolarHBondContact O-N 2.94Å; A602-Y615 HydrophobicContact CB-CD2 4.21Å; A602-Y615 HydrophobicContact CB-CE2 3.83Å; R613-Y615 HydrophobicContact CB-CE2 3.85Å; R613-Y615 VanDerWaalsContact CD-OH 3.3Å; R613-Y615 WeakPolarHBondContact CD-OH 3.16Å; Y615-S617 PolarHBondContact O-N 2.94Å; Y615-Y694 PolarHBondContact OH-O 3.29Å; Y615-R696 HydrophobicContact CD2-CB 4.24Å; Y615-H698 VanDerWaalsContact CB-CB 3.48Å; Y615-H698 HydrophobicContact CD1-CB 4.19Å; Y615-H698 AromaticContact CD1-CD2 3.7Å; Y615-H698 AromaticContact CD1-CE1 3.82Å; Y615-H698 AromaticContact CD1-CG 3.64Å; Y615-H698 AromaticContact CD1-ND1 3.71Å; Y615-H698 AromaticContact CD1-NE2 3.8Å; Y615-H698 AromaticContact CE1-CE1 3.94Å; Y615-H698 HydrophobicContact CG-CB 4.09Å
616F92.4Very high81.2Confident0 Ų059.2 Ų59.20%032%0.316CS..EExtended strand (participates in β ladder)trans-75.3115.2172.6-67.5-67.7000111.2A553 P557 F559 L582 L584 R598 L599 V619 H698 L699A553-F616 HydrophobicContact CB-CE2 3.88Å; P557-F616 HydrophobicContact CB-CD2 4.42Å; P557-F616 HydrophobicContact CB-CE2 3.69Å; P557-F616 HydrophobicContact CB-CZ 4.12Å; F559-F616 HydrophobicContact CZ-CZ 4.3Å; L582-F616 HydrophobicContact CD1-CE1 4.33Å; L582-F616 HydrophobicContact CD1-CZ 4.37Å; L584-F616 HydrophobicContact CD1-CZ 4.48Å; L584-F616 HydrophobicContact CD2-CE1 4.39Å; L584-F616 HydrophobicContact CD2-CZ 3.92Å; R598-F616 CarbonylContact O-C 3.53Å; R598-F616 VanDerWaalsContact O-CA 3.28Å; R598-F616 WeakPolarHBondContact O-CA 3.27Å; L599-F616 HydrophobicContact CD2-CD1 3.74Å; L599-F616 HydrophobicContact CD2-CE1 3.58Å; L599-F616 HydrophobicContact CD2-CG 4.38Å; L599-F616 HydrophobicContact CD2-CZ 4.11Å; L599-F616 HydrophobicContact CG-CE1 4.49Å; F616-V619 HydrophobicContact CB-CG2 4.38Å; F616-H698 CarbonylContact O-C 3.5Å; F616-H698 VanDerWaalsContact O-CA 3.31Å; F616-H698 WeakPolarHBondContact O-CA 3.3Å; F616-H698 WeakPolarHBondContact O-CB 3.42Å; F616-L699 HydrophobicContact CB-CB 4.18Å; F616-L699 PolarHBondContact O-N 3.34Å
617S91.5Very high81.2Confident33 Ų3358.6 Ų58.623%0.23130%0.301CS..EExtended strand (participates in β ladder)trans-88-26.6175.654.90000113.1R598 Y615 P635R598-S617 PolarHBondContact O-N 3.17Å; R598-S617 PolarHBondContact O-OG 3.31Å; Y615-S617 PolarHBondContact O-N 2.94Å; S617-P635 WeakPolarHBondContact O-CD 3.45Å
618S92.5Very high81.7Confident8 Ų858.9 Ų58.96%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-149.6140.5176.862.30000110.5G597 R598 V633 L796G597-S618 CarbonylContact C-O 3.54Å; G597-S618 WeakPolarHBondContact CA-O 2.98Å; R598-S618 VanDerWaalsContact CB-OG 3.25Å; R598-S618 WeakPolarHBondContact CB-OG 3.07Å; R598-S618 PolarHBondContact N-O 3.01Å; S618-V633 CarbonylContact C-O 3.57Å; S618-V633 VanDerWaalsContact CA-O 3.26Å; S618-V633 WeakPolarHBondContact CA-O 3.46Å; S618-L796 WeakPolarHBondContact OG-CD2 3.32Å
619V95.5Very high82.3Confident0 Ų057 Ų570%026%0.264CS..EExtended strand (participates in β ladder)trans-121.7127.6171.6175.70000107.8V595 N596 F616 V633 I683 L699 F701V595-V619 HydrophobicContact CG1-CG1 3.79Å; N596-V619 CarbonylContact O-C 3.45Å; N596-V619 WeakPolarHBondContact O-CA 3.4Å; F616-V619 HydrophobicContact CB-CG2 4.38Å; V619-V633 PolarHBondContact N-O 3.22Å; V619-V633 PolarHBondContact O-N 3.29Å; V619-I683 HydrophobicContact CB-CD1 4.3Å; V619-I683 HydrophobicContact CG1-CD1 3.99Å; V619-I683 HydrophobicContact CG1-CG1 4.42Å; V619-L699 HydrophobicContact CB-CD1 4.26Å; V619-L699 HydrophobicContact CG2-CB 4.2Å; V619-L699 HydrophobicContact CG2-CD1 3.95Å; V619-F701 HydrophobicContact CG1-CD2 4.06Å
620A93Very high83.1Confident0 Ų048.2 Ų48.20%022%0.222CC..EExtended strand (participates in β ladder)trans-110.8138.6170.300000112.4V595 N596 I631 L796 F797V595-A620 VanDerWaalsContact CA-O 3.3Å; V595-A620 WeakPolarHBondContact CA-O 3.48Å; N596-A620 PolarHBondContact N-O 3.32Å; N596-A620 PolarHBondContact O-N 3.32Å; A620-I631 CarbonylContact C-O 3.56Å; A620-I631 WeakPolarHBondContact CA-O 3.46Å; A620-I631 WeakPolarHBondContact CB-O 3.38Å; A620-L796 HydrophobicContact CB-CB 4.49Å; A620-L796 HydrophobicContact CB-CD1 4.41Å; A620-L796 HydrophobicContact CB-CD2 3.67Å; A620-L796 HydrophobicContact CB-CG 3.51Å; A620-F797 HydrophobicContact CB-CD1 4.08Å; A620-F797 HydrophobicContact CB-CE1 3.89Å
621V92.6Very high84.2Confident1 Ų145.6 Ų45.61%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-110.4116.3169.4-1750000107.2V593 T594 V595 I631 V673 F681V593-V621 HydrophobicContact CG1-CG1 4.29Å; T594-V621 CarbonylContact O-C 3.57Å; T594-V621 WeakPolarHBondContact O-CA 3.31Å; V595-V621 HydrophobicContact CG1-CG2 4.37Å; V595-V621 HydrophobicContact CG2-CG1 4.22Å; V595-V621 HydrophobicContact CG2-CG2 4.14Å; V621-I631 HydrophobicContact CB-CB 4.27Å; V621-I631 PolarHBondContact N-O 2.87Å; V621-I631 PolarHBondContact O-N 2.99Å; V621-V673 HydrophobicContact CG1-CG1 4.39Å; V621-F681 HydrophobicContact CG1-CD2 4.17Å; V621-F681 HydrophobicContact CG1-CE2 4.1Å; V621-F681 HydrophobicContact CG2-CD2 4.34Å
622V89.4Confident85.2Confident0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-105.9134.3179-173.60000108.9V593 T594 Y630 F797 T799V593-V622 CarbonylContact C-O 3.6Å; V593-V622 WeakPolarHBondContact CA-O 3.31Å; T594-V622 PolarHBondContact N-O 3.25Å; T594-V622 PolarHBondContact O-N 2.87Å; V622-Y630 HydrophobicContact CB-CD1 4.28Å; V622-Y630 HydrophobicContact CG1-CD1 3.62Å; V622-Y630 HydrophobicContact CG1-CE1 3.66Å; V622-Y630 HydrophobicContact CG2-CD1 4.01Å; V622-F797 HydrophobicContact CG2-CB 4.39Å; V622-F797 HydrophobicContact CG2-CD1 4.23Å; V622-T799 HydrophobicContact CB-CG2 3.98Å; V622-T799 HydrophobicContact CG1-CG2 3.51Å
623M87Confident85.7Confident16 Ų1635 Ų358%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-123.7124.6175.9-58-171.4-54.700109.6G592 R628 A629 L661 V675G592-M623 CarbonylContact O-C 3Å; G592-M623 VanDerWaalsContact O-CA 3.22Å; G592-M623 WeakPolarHBondContact O-CA 3.37Å; M623-R628 CarbonylContact O-C 3.57Å; M623-R628 WeakPolarHBondContact O-CA 3.48Å; M623-A629 HydrophobicContact CE-CB 3.77Å; M623-A629 PolarHBondContact N-O 3.31Å; M623-A629 PolarHBondContact O-N 2.87Å; M623-L661 HydrophobicContact CE-CB 3.97Å; M623-L661 HydrophobicContact CE-CD1 3.53Å; M623-L661 HydrophobicContact CE-CD2 3.37Å; M623-L661 HydrophobicContact CE-CG 3.78Å; M623-L661 HydrophobicContact SD-CD1 3.63Å; M623-L661 HydrophobicContact SD-CG 4.49Å; M623-V675 HydrophobicContact SD-CB 4.17Å; M623-V675 HydrophobicContact SD-CG1 3.54Å; M623-V675 VanDerWaalsContact SD-CG1 3.54Å; M623-V675 HydrophobicContact SD-CG2 3.54Å; M623-V675 VanDerWaalsContact SD-CG2 3.54Å
624D79.4Confident86.1Confident41 Ų4132.2 Ų32.222%0.21916%0.156CC..  trans-99-11.2-177.3-70.7-35.7000113.7G592 R628 T799G592-D624 PolarHBondContact O-N 2.83Å; D624-R628 IonicContact OD1-CZ 3.52Å; D624-R628 IonicContact OD1-NE 3.48Å; D624-R628 PolarHBondContact OD1-NE 2.83Å; D624-T799 WeakPolarHBondContact OD2-CG2 3.25Å
625R69.5Low86.1Confident160 Ų16032.7 Ų32.760%0.60416%0.16SC*.SBendtrans-138.1143.2-176.3-65.5-176.3177174.6-0.1112.4R589R589-R625 PolarHBondContact O-NH1 2.59Å
626P58.8Low85.8Confident96 Ų9636.4 Ų36.462%0.62318%0.183SC*.SBendcis-77.8-19.2-5.932-34.8000113.7
627H70.4Confident85.7Confident116 Ų11640.1 Ų40.154%0.53720%0.199SC..SBendtrans-126.4143.9171.3-61.8-51.5000109.1A629 R643H627-A629 PolarHBondContact O-N 2.85Å; H627-R643 PolarHBondContact NE2-NH2 2.77Å
628R78.4Confident85.6Confident90 Ų9038.6 Ų38.634%0.3419%0.189SC..  trans-70.4121.5-177.7-158.8166.7-172.1-151-9.6110.4M623 D624 Y630M623-R628 CarbonylContact O-C 3.57Å; M623-R628 WeakPolarHBondContact O-CA 3.48Å; D624-R628 IonicContact OD1-CZ 3.52Å; D624-R628 IonicContact OD1-NE 3.48Å; D624-R628 PolarHBondContact OD1-NE 2.83Å; R628-Y630 WeakPolarHBondContact CD-OH 3.43Å; R628-Y630 HydrophobicContact CG-CE1 4.17Å; R628-Y630 HydrophobicContact CG-CE2 4.23Å; R628-Y630 WeakPolarHBondContact CG-OH 3.4Å; R628-Y630 PolarHBondContact NE-OH 2.81Å; R628-Y630 PolarHBondContact NH1-OH 2.89Å
629A83.1Confident85.2Confident10 Ų1038.7 Ų38.78%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-136.9149.617900000110.9M623 H627 D641M623-A629 HydrophobicContact CE-CB 3.77Å; M623-A629 PolarHBondContact N-O 3.31Å; M623-A629 PolarHBondContact O-N 2.87Å; H627-A629 PolarHBondContact O-N 2.85Å; A629-D641 CarbonylContact C-O 3.57Å; A629-D641 VanDerWaalsContact CA-O 3.29Å; A629-D641 WeakPolarHBondContact CA-O 3.4Å
630Y87.1Confident84.8Confident19 Ų1939.3 Ų39.38%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-129.1135.7-177.8-44-90.1000109.5I106 V622 R628 D641 F797I106-Y630 HydrophobicContact CD1-CD2 4.43Å; I106-Y630 HydrophobicContact CG2-CD2 4.47Å; I106-Y630 HydrophobicContact CG2-CE1 3.84Å; I106-Y630 HydrophobicContact CG2-CE2 3.79Å; I106-Y630 VanDerWaalsContact CG2-CZ 3.4Å; I106-Y630 WeakPolarHBondContact CG2-OH 3.39Å; V622-Y630 HydrophobicContact CB-CD1 4.28Å; V622-Y630 HydrophobicContact CG1-CD1 3.62Å; V622-Y630 HydrophobicContact CG1-CE1 3.66Å; V622-Y630 HydrophobicContact CG2-CD1 4.01Å; R628-Y630 WeakPolarHBondContact CD-OH 3.43Å; R628-Y630 HydrophobicContact CG-CE1 4.17Å; R628-Y630 HydrophobicContact CG-CE2 4.23Å; R628-Y630 WeakPolarHBondContact CG-OH 3.4Å; R628-Y630 PolarHBondContact NE-OH 2.81Å; R628-Y630 PolarHBondContact NH1-OH 2.89Å; Y630-D641 PolarHBondContact N-O 2.85Å; Y630-D641 PolarHBondContact O-N 3.34Å; Y630-F797 HydrophobicContact CD1-CB 4.28Å; Y630-F797 AromaticContact CD1-CD1 3.74Å; Y630-F797 HydrophobicContact CD1-CD1 3.74Å; Y630-F797 HydrophobicContact CD1-CG 4.32Å; Y630-F797 HydrophobicContact CE1-CB 4.43Å; Y630-F797 HydrophobicContact CG-CD1 4.13Å
631I90.4Very high84Confident0 Ų039.6 Ų39.60%019%0.194CC..EExtended strand (participates in β ladder)trans-116.4123.9168.8-62.9163.6000107A620 V621 V633 V638 I639 L640 L661 V663 V673A620-I631 CarbonylContact C-O 3.56Å; A620-I631 WeakPolarHBondContact CA-O 3.46Å; A620-I631 WeakPolarHBondContact CB-O 3.38Å; V621-I631 HydrophobicContact CB-CB 4.27Å; V621-I631 PolarHBondContact N-O 2.87Å; V621-I631 PolarHBondContact O-N 2.99Å; I631-V633 HydrophobicContact CG2-CG2 3.99Å; I631-V638 HydrophobicContact CG2-CG1 3.93Å; I631-I639 CarbonylContact C-O 3.5Å; I631-I639 VanDerWaalsContact CA-O 3.22Å; I631-I639 WeakPolarHBondContact CA-O 3.24Å; I631-L640 HydrophobicContact CD1-CD1 4.07Å; I631-L640 HydrophobicContact CG1-CD1 3.47Å; I631-L640 VanDerWaalsContact CG1-CD1 3.47Å; I631-L661 HydrophobicContact CD1-CD1 3.83Å; I631-L661 HydrophobicContact CD1-CD2 4.04Å; I631-L661 HydrophobicContact CD1-CG 4.35Å; I631-V663 HydrophobicContact CD1-CG2 3.57Å; I631-V663 HydrophobicContact CG1-CG2 4.3Å; I631-V673 HydrophobicContact CD1-CB 4.43Å; I631-V673 HydrophobicContact CD1-CG1 3.44Å; I631-V673 VanDerWaalsContact CD1-CG1 3.44Å; I631-V673 HydrophobicContact CD1-CG2 4.1Å; I631-V673 HydrophobicContact CG2-CG2 4.31Å
632E92Very high83.2Confident52 Ų5241 Ų4124%0.24321%0.208CC..EExtended strand (participates in β ladder)trans-112.9122.7169.6-175.3-175.5-179.500109.1T634 V638 I639 L796 F797E632-T634 HydrophobicContact CG-CG2 4.47Å; E632-V638 CarbonylContact O-C 3.59Å; E632-V638 WeakPolarHBondContact O-CA 3.35Å; E632-I639 HydrophobicContact CB-CB 4.4Å; E632-I639 PolarHBondContact N-O 3.09Å; E632-I639 PolarHBondContact O-N 3.31Å; E632-L796 HydrophobicContact CG-CD2 4.08Å; E632-F797 HydrophobicContact CB-CE1 4.35Å; E632-F797 HydrophobicContact CB-CZ 4.21Å
633V93.7Very high82.1Confident0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-108.7128.8174.9-176.80000108.8S618 V619 I631 V638 V671 I683 L699S618-V633 CarbonylContact C-O 3.57Å; S618-V633 VanDerWaalsContact CA-O 3.26Å; S618-V633 WeakPolarHBondContact CA-O 3.46Å; V619-V633 PolarHBondContact N-O 3.22Å; V619-V633 PolarHBondContact O-N 3.29Å; I631-V633 HydrophobicContact CG2-CG2 3.99Å; V633-V638 HydrophobicContact CG1-CG2 4.25Å; V633-V638 HydrophobicContact CG2-CG1 4.1Å; V633-V638 HydrophobicContact CG2-CG2 4.19Å; V633-V671 HydrophobicContact CG1-CB 4.47Å; V633-V671 HydrophobicContact CG1-CG2 4.07Å; V633-V671 HydrophobicContact CG2-CG1 4.19Å; V633-I683 HydrophobicContact CB-CD1 4.05Å; V633-I683 HydrophobicContact CB-CG2 4.34Å; V633-I683 HydrophobicContact CG1-CG2 3.83Å; V633-I683 HydrophobicContact CG2-CD1 3.57Å; V633-L699 HydrophobicContact CB-CD1 4.45Å; V633-L699 HydrophobicContact CG1-CD1 4.21Å; V633-L699 HydrophobicContact CG1-CD2 4.32Å; V633-L699 WeakPolarHBondContact O-CD1 3.28Å
634T91.7Very high81Confident20 Ų2054.8 Ų54.812%0.12327%0.267CS..  trans-121.5168.316875.50000109.2E632 T636 K637E632-T634 HydrophobicContact CG-CG2 4.47Å; T634-T636 PolarHBondContact O-N 3.29Å; T634-T636 PolarHBondContact OG1-N 3.16Å; T634-T636 PolarHBondContact OG1-OG1 3.43Å; T634-K637 PolarHBondContact N-O 2.87Å; T634-K637 WeakPolarHBondContact OG1-CG 3.41Å; T634-K637 PolarHBondContact OG1-N 3.02Å; T634-K637 PolarHBondContact OG1-O 3.3Å
635P88.6Confident80.8Confident15 Ų1556.5 Ų56.510%0.09727%0.27CS..SBendtrans-55.8-20.9175.5-3035.7000114.1S617 R687 D697 L699S617-P635 WeakPolarHBondContact O-CD 3.45Å; P635-R687 PolarHBondContact O-NE 2.84Å; P635-R687 PolarHBondContact O-NH2 2.93Å; P635-D697 HydrophobicContact CB-CB 4.02Å; P635-D697 HydrophobicContact CG-CB 4.17Å; P635-L699 HydrophobicContact CG-CD2 4.22Å; P635-L699 HydrophobicContact CG-CG 4.41Å
636T85.6Confident81.2Confident87 Ų8751.6 Ų51.653%0.53426%0.256SS..SBendtrans-108.2-31.1-173.956.80000114.4T634 C650T634-T636 PolarHBondContact O-N 3.29Å; T634-T636 PolarHBondContact OG1-N 3.16Å; T634-T636 PolarHBondContact OG1-OG1 3.43Å; T636-C650 WeakPolarHBondContact O-CB 3.47Å; T636-C650 PolarHBondContact O-N 3.44Å
637K89.8Confident82.3Confident78 Ų7850.7 Ų50.734%0.33925%0.248SC..EExtended strand (participates in β ladder)trans-147155.5-173.561.6178.2-179.8178.20112.6T634 I639 V647 L648 C650T634-K637 PolarHBondContact N-O 2.87Å; T634-K637 WeakPolarHBondContact OG1-CG 3.41Å; T634-K637 PolarHBondContact OG1-N 3.02Å; T634-K637 PolarHBondContact OG1-O 3.3Å; K637-I639 HydrophobicContact CD-CD1 4.26Å; K637-I639 HydrophobicContact CD-CG1 4.3Å; K637-V647 HydrophobicContact CB-CG1 4.35Å; K637-V647 HydrophobicContact CD-CG1 4.41Å; K637-L648 CarbonylContact C-O 3.59Å; K637-L648 WeakPolarHBondContact CA-O 3.44Å; K637-C650 VanDerWaalsContact C-SG 3.55Å
638V89.3Confident82.9Confident1 Ų146 Ų461%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-112.9130.1165.8-177.30000108.1I631 E632 V633 V647 L648 V663 V665 V671I631-V638 HydrophobicContact CG2-CG1 3.93Å; E632-V638 CarbonylContact O-C 3.59Å; E632-V638 WeakPolarHBondContact O-CA 3.35Å; V633-V638 HydrophobicContact CG1-CG2 4.25Å; V633-V638 HydrophobicContact CG2-CG1 4.1Å; V633-V638 HydrophobicContact CG2-CG2 4.19Å; V638-V647 CarbonylContact O-C 3.56Å; V638-V647 WeakPolarHBondContact O-CA 3.28Å; V638-L648 HydrophobicContact CB-CB 4.26Å; V638-L648 PolarHBondContact N-O 2.95Å; V638-L648 PolarHBondContact O-N 2.84Å; V638-V663 HydrophobicContact CG1-CG1 4.11Å; V638-V665 HydrophobicContact CG2-CG2 3.88Å; V638-V671 HydrophobicContact CG2-CB 4.43Å; V638-V671 HydrophobicContact CG2-CG1 3.92Å; V638-V671 HydrophobicContact CG2-CG2 3.66Å
639I83.9Confident83.2Confident11 Ų1144.2 Ų44.26%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-111.5118.2172.7-57.4173.3000106.8I631 E632 K637 R645 V647I631-I639 CarbonylContact C-O 3.5Å; I631-I639 VanDerWaalsContact CA-O 3.22Å; I631-I639 WeakPolarHBondContact CA-O 3.24Å; E632-I639 HydrophobicContact CB-CB 4.4Å; E632-I639 PolarHBondContact N-O 3.09Å; E632-I639 PolarHBondContact O-N 3.31Å; K637-I639 HydrophobicContact CD-CD1 4.26Å; K637-I639 HydrophobicContact CD-CG1 4.3Å; I639-R645 HydrophobicContact CG2-CG 4.48Å; I639-V647 HydrophobicContact CG1-CG1 4.38Å; I639-V647 HydrophobicContact CG1-CG2 4.31Å
640L86.3Confident83.4Confident13 Ų1343.8 Ų43.87%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-105.1119.2168.5169.363.7000107.8I631 R645 I646 V656 L661 V663I631-L640 HydrophobicContact CD1-CD1 4.07Å; I631-L640 HydrophobicContact CG1-CD1 3.47Å; I631-L640 VanDerWaalsContact CG1-CD1 3.47Å; L640-R645 CarbonylContact O-C 3.55Å; L640-R645 WeakPolarHBondContact O-CA 3.28Å; L640-I646 HydrophobicContact CB-CB 4.49Å; L640-I646 HydrophobicContact CD2-CD1 4.45Å; L640-I646 PolarHBondContact N-O 2.82Å; L640-I646 PolarHBondContact O-N 3.46Å; L640-V656 HydrophobicContact CD2-CB 4.4Å; L640-V656 HydrophobicContact CD2-CG1 3.79Å; L640-L661 HydrophobicContact CD1-CD2 3.34Å; L640-L661 HydrophobicContact CD2-CD2 4.34Å; L640-L661 HydrophobicContact CG-CD2 4.48Å; L640-V663 HydrophobicContact CD2-CG2 4.39Å
641D77.1Confident83.2Confident6 Ų649.1 Ų49.13%0.03225%0.248CC..EExtended strand (participates in β ladder)trans-126.6100.6-178.4-158.2-12.6000109.4S45 A629 Y630 R645S45-D641 VanDerWaalsContact CB-CG 3.46Å; S45-D641 WeakPolarHBondContact CB-OD1 3.46Å; S45-D641 WeakPolarHBondContact CB-OD2 3.21Å; S45-D641 PolarHBondContact N-OD2 3.31Å; S45-D641 PolarHBondContact OG-OD1 2.7Å; S45-D641 PolarHBondContact OG-OD2 2.85Å; A629-D641 CarbonylContact C-O 3.57Å; A629-D641 VanDerWaalsContact CA-O 3.29Å; A629-D641 WeakPolarHBondContact CA-O 3.4Å; Y630-D641 PolarHBondContact N-O 2.85Å; Y630-D641 PolarHBondContact O-N 3.34Å; D641-R645 HydrophobicContact CB-CG 4.34Å
642G75.6Confident82.8Confident30 Ų3051 Ų5131%0.30926%0.264SS..SBendtrans-134.7-111.6-178.300000111.4D644G642-D644 PolarHBondContact N-O 2.74Å
643R67.1Low82.7Confident201 Ų20153.9 Ų53.976%0.75829%0.285SS*.SBendtrans-69.2-46.3168.5-76.5-172.9178.4174.72.8111.5H627H627-R643 PolarHBondContact NE2-NH2 2.77Å
644D64Low82.2Confident105 Ų10555.2 Ų55.256%0.56130%0.297SS*.SBendtrans-117.8148.3172.9-64.1-58.4000109.2G642G642-D644 PolarHBondContact N-O 2.74Å
645R75.1Confident82Confident76 Ų7657.6 Ų57.629%0.28732%0.318SS..EExtended strand (participates in β ladder)trans-93.1120.4174.3-175.3177.3178.4156.310.6109.9L43 I639 L640 D641L43-R645 PolarHBondContact O-NH1 2.74Å; L43-R645 PolarHBondContact O-NH2 2.76Å; I639-R645 HydrophobicContact CG2-CG 4.48Å; L640-R645 CarbonylContact O-C 3.55Å; L640-R645 WeakPolarHBondContact O-CA 3.28Å; D641-R645 HydrophobicContact CB-CG 4.34Å
646I78.1Confident81.8Confident58 Ų5858.1 Ų58.130%0.29732%0.321SS..EExtended strand (participates in β ladder)trans-121.9131.5-178.6-58.7169000108.9L640 L648 V656L640-I646 HydrophobicContact CB-CB 4.49Å; L640-I646 HydrophobicContact CD2-CD1 4.45Å; L640-I646 PolarHBondContact N-O 2.82Å; L640-I646 PolarHBondContact O-N 3.46Å; I646-L648 HydrophobicContact CG2-CD2 3.68Å; I646-L648 HydrophobicContact CG2-CG 4.08Å; I646-V656 HydrophobicContact CD1-CG1 3.71Å; I646-V656 HydrophobicContact CD1-CG2 4.23Å; I646-V656 HydrophobicContact CG2-CG2 4.03Å
647V81.3Confident81.6Confident77 Ų7760.2 Ų60.247%0.46733%0.329SS..EExtended strand (participates in β ladder)trans-114.9118.8175-174.40000108.9K637 V638 I639K637-V647 HydrophobicContact CB-CG1 4.35Å; K637-V647 HydrophobicContact CD-CG1 4.41Å; V638-V647 CarbonylContact O-C 3.56Å; V638-V647 WeakPolarHBondContact O-CA 3.28Å; I639-V647 HydrophobicContact CG1-CG1 4.38Å; I639-V647 HydrophobicContact CG1-CG2 4.31Å
648L83.8Confident80.8Confident17 Ų1759.3 Ų59.39%0.08933%0.332CS..EExtended strand (participates in β ladder)trans-108.6129.6-179.6-53.7174.4000110.2K637 V638 I646 A654 V656 V663 V665K637-L648 CarbonylContact C-O 3.59Å; K637-L648 WeakPolarHBondContact CA-O 3.44Å; V638-L648 HydrophobicContact CB-CB 4.26Å; V638-L648 PolarHBondContact N-O 2.95Å; V638-L648 PolarHBondContact O-N 2.84Å; I646-L648 HydrophobicContact CG2-CD2 3.68Å; I646-L648 HydrophobicContact CG2-CG 4.08Å; L648-A654 HydrophobicContact CD1-CB 4.45Å; L648-A654 HydrophobicContact CD2-CB 4.09Å; L648-V656 HydrophobicContact CD1-CG2 3.78Å; L648-V656 HydrophobicContact CD2-CG2 3.99Å; L648-V656 HydrophobicContact CG-CG2 4.34Å; L648-V663 HydrophobicContact CD1-CG1 4.44Å; L648-V665 HydrophobicContact CB-CG2 4.15Å; L648-V665 HydrophobicContact CD1-CG2 3.88Å
649P84.8Confident79.7Confident53 Ų5366.9 Ų66.934%0.34437%0.373SS..EExtended strand (participates in β ladder)trans-70.2134.1172.626.9-31.3000110.9H651 A652P649-H651 WeakPolarHBondContact CB-CE1 3.46Å; P649-H651 PolarHBondContact O-N 3.13Å; P649-A652 HydrophobicContact CG-CB 4.14Å; P649-A652 PolarHBondContact O-N 3.36Å
650C86.3Confident79.3Confident0 Ų075 Ų750%040%0.403CS..THydrogen-bonded Turntrans-74.8-7.9177.3-75.20000113.8T636 K637 G668 L685T636-C650 WeakPolarHBondContact O-CB 3.47Å; T636-C650 PolarHBondContact O-N 3.44Å; K637-C650 VanDerWaalsContact C-SG 3.55Å; C650-G668 PolarHBondContact O-N 2.82Å; C650-L685 HydrophobicContact CB-CD1 3.84Å; C650-L685 HydrophobicContact CB-CD2 4.28Å
651H83.4Confident79.3Confident131 Ų13175 Ų7561%0.60640%0.403SS*.THydrogen-bonded Turntrans-88.2-14.417865-96.1000113.5P649P649-H651 WeakPolarHBondContact CB-CE1 3.46Å; P649-H651 PolarHBondContact O-N 3.13Å
652A81.4Confident79.8Confident39 Ų3976.2 Ų76.232%0.32241%0.412SS..SBendtrans-115.2152.3178.800000110.3P649 V665P649-A652 HydrophobicContact CG-CB 4.14Å; P649-A652 PolarHBondContact O-N 3.36Å; A652-V665 WeakPolarHBondContact O-CG1 3.29Å
653T89.1Confident80.4Confident113 Ų11374.8 Ų74.869%0.69340%0.397SS*.  trans-78.8127.2174.3-60.10000109.4V665 G667T653-V665 CarbonylContact C-O 3.04Å; T653-V665 VanDerWaalsContact CA-O 3.23Å; T653-V665 WeakPolarHBondContact CA-O 3.13Å; T653-V665 WeakPolarHBondContact CG2-O 3.37Å; T653-G667 PolarHBondContact OG1-N 3.34Å; T653-G667 VanDerWaalsContact OG1-N 3.15Å
654A84.9Confident81.6Confident29 Ų2966.8 Ų66.824%0.2437%0.374CS..EExtended strand (participates in β ladder)trans-150.7147.5-179.800000110.2L648 V665L648-A654 HydrophobicContact CD1-CB 4.45Å; L648-A654 HydrophobicContact CD2-CB 4.09Å; A654-V665 PolarHBondContact N-O 3.03Å; A654-V665 PolarHBondContact O-N 3.23Å
655A86.5Confident82.8Confident69 Ų6961.9 Ų61.957%0.5735%0.348SS*.EExtended strand (participates in β ladder)trans-132.7140.117300000110V663 A664A655-V663 CarbonylContact C-O 3.54Å; A655-V663 WeakPolarHBondContact CA-O 3.26Å; A655-A664 HydrophobicContact CB-CB 4.42Å
656V84.3Confident83.6Confident26 Ų2661.5 Ų61.516%0.15835%0.354CS..EExtended strand (participates in β ladder)trans-123.4124.8172.5177.50000106.8L640 I646 L648 S662 V663L640-V656 HydrophobicContact CD2-CB 4.4Å; L640-V656 HydrophobicContact CD2-CG1 3.79Å; I646-V656 HydrophobicContact CD1-CG1 3.71Å; I646-V656 HydrophobicContact CD1-CG2 4.23Å; I646-V656 HydrophobicContact CG2-CG2 4.03Å; L648-V656 HydrophobicContact CD1-CG2 3.78Å; L648-V656 HydrophobicContact CD2-CG2 3.99Å; L648-V656 HydrophobicContact CG-CG2 4.34Å; V656-S662 CarbonylContact O-C 3.57Å; V656-S662 WeakPolarHBondContact O-CA 2.98Å; V656-V663 PolarHBondContact N-O 3.27Å; V656-V663 PolarHBondContact O-N 3.21Å
657D81.6Confident83.9Confident132 Ų13260.1 Ų60.171%0.70635%0.354SS*.EExtended strand (participates in β ladder)trans-120.8140.5179-158.420.7000110.3S662D657-S662 VanDerWaalsContact OD1-CB 3.32Å; D657-S662 WeakPolarHBondContact OD1-CB 3.38Å; D657-S662 PolarHBondContact OD1-OG 3.09Å
658S72.7Confident83.9Confident58 Ų5858.3 Ų58.341%0.40635%0.351SS..EExtended strand (participates in β ladder)trans-149160.9178.270.10000109.4R660 L661S658-R660 PolarHBondContact O-N 2.84Å; S658-L661 PolarHBondContact N-O 3.36Å; S658-L661 PolarHBondContact O-N 2.59Å; S658-L661 WeakPolarHBondContact OG-CB 3.18Å; S658-L661 PolarHBondContact OG-N 3.47Å; S658-L661 PolarHBondContact OG-O 3.3Å
659D67.3Low84.1Confident161 Ų16159.4 Ų59.486%0.86136%0.363SS*.THydrogen-bonded Turntrans-42.3-32.9-168.6-60.6-13.4000116.4
660R75.6Confident84.3Confident180 Ų18057.9 Ų57.968%0.67935%0.352SS*.THydrogen-bonded Turntrans-1355.9176-65.1-168.6177.4-163.1-0.3114.9S658 V675 G676S658-R660 PolarHBondContact O-N 2.84Å; R660-V675 WeakPolarHBondContact O-CA 3.26Å; R660-G676 PolarHBondContact O-N 2.97Å
661L85.3Confident84.7Confident13 Ų1357.9 Ų57.97%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-139.6123.4-177179.369.5000110.7M623 I631 L640 S658 V663 V673 T674 V675M623-L661 HydrophobicContact CE-CB 3.97Å; M623-L661 HydrophobicContact CE-CD1 3.53Å; M623-L661 HydrophobicContact CE-CD2 3.37Å; M623-L661 HydrophobicContact CE-CG 3.78Å; M623-L661 HydrophobicContact SD-CD1 3.63Å; M623-L661 HydrophobicContact SD-CG 4.49Å; I631-L661 HydrophobicContact CD1-CD1 3.83Å; I631-L661 HydrophobicContact CD1-CD2 4.04Å; I631-L661 HydrophobicContact CD1-CG 4.35Å; L640-L661 HydrophobicContact CD1-CD2 3.34Å; L640-L661 HydrophobicContact CD2-CD2 4.34Å; L640-L661 HydrophobicContact CG-CD2 4.48Å; S658-L661 PolarHBondContact N-O 3.36Å; S658-L661 PolarHBondContact O-N 2.59Å; S658-L661 WeakPolarHBondContact OG-CB 3.18Å; S658-L661 PolarHBondContact OG-N 3.47Å; S658-L661 PolarHBondContact OG-O 3.3Å; L661-V663 HydrophobicContact CG-CG2 4.43Å; L661-V673 HydrophobicContact CD1-CG1 4.07Å; L661-T674 WeakPolarHBondContact CA-O 3.3Å; L661-V675 HydrophobicContact CD1-CG2 3.98Å
662S86.9Confident85.1Confident32 Ų3253.5 Ų53.522%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-122.3131174.8-162.20000110V656 D657 V673 T674V656-S662 CarbonylContact O-C 3.57Å; V656-S662 WeakPolarHBondContact O-CA 2.98Å; D657-S662 VanDerWaalsContact OD1-CB 3.32Å; D657-S662 WeakPolarHBondContact OD1-CB 3.38Å; D657-S662 PolarHBondContact OD1-OG 3.09Å; S662-V673 WeakPolarHBondContact O-CA 3.42Å; S662-T674 PolarHBondContact N-O 2.81Å; S662-T674 PolarHBondContact O-N 2.84Å
663V90.2Very high85.6Confident0 Ų051.6 Ų51.60%032%0.319CS..EExtended strand (participates in β ladder)trans-123.1115.2175.2-1780000108.5I631 V638 L640 L648 A655 V656 L661 V671 T672 V673I631-V663 HydrophobicContact CD1-CG2 3.57Å; I631-V663 HydrophobicContact CG1-CG2 4.3Å; V638-V663 HydrophobicContact CG1-CG1 4.11Å; L640-V663 HydrophobicContact CD2-CG2 4.39Å; L648-V663 HydrophobicContact CD1-CG1 4.44Å; A655-V663 CarbonylContact C-O 3.54Å; A655-V663 WeakPolarHBondContact CA-O 3.26Å; V656-V663 PolarHBondContact N-O 3.27Å; V656-V663 PolarHBondContact O-N 3.21Å; L661-V663 HydrophobicContact CG-CG2 4.43Å; V663-V671 HydrophobicContact CG1-CG1 4.03Å; V663-T672 CarbonylContact C-O 3.53Å; V663-T672 WeakPolarHBondContact CA-O 3.35Å; V663-V673 HydrophobicContact CG2-CG2 4.46Å
664A90.5Very high85.6Confident34 Ų3448.1 Ų48.128%0.28130%0.297SS..EExtended strand (participates in β ladder)trans-115.8119.4178.200000110.5A655 V671 T672A655-A664 HydrophobicContact CB-CB 4.42Å; A664-V671 CarbonylContact O-C 3.55Å; A664-V671 WeakPolarHBondContact O-CA 3.15Å; A664-T672 PolarHBondContact N-O 2.84Å; A664-T672 PolarHBondContact O-N 3.42Å
665V90.6Very high85.7Confident2 Ų247.6 Ų47.61%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-99.7122.5174.6-177.20000108.2V638 L648 A652 T653 A654 V671V638-V665 HydrophobicContact CG2-CG2 3.88Å; L648-V665 HydrophobicContact CB-CG2 4.15Å; L648-V665 HydrophobicContact CD1-CG2 3.88Å; A652-V665 WeakPolarHBondContact O-CG1 3.29Å; T653-V665 CarbonylContact C-O 3.04Å; T653-V665 VanDerWaalsContact CA-O 3.23Å; T653-V665 WeakPolarHBondContact CA-O 3.13Å; T653-V665 WeakPolarHBondContact CG2-O 3.37Å; A654-V665 PolarHBondContact N-O 3.03Å; A654-V665 PolarHBondContact O-N 3.23Å; V665-V671 HydrophobicContact CG1-CG2 4.36Å; V665-V671 HydrophobicContact CG2-CG1 4.29Å; V665-V671 HydrophobicContact CG2-CG2 4.23Å
666V90.2Very high85.4Confident67 Ų6746.3 Ų46.341%0.40628%0.284SS..EExtended strand (participates in β ladder)trans-98.1115.9166.6-176.90000107.5G668 A669 N670V666-G668 PolarHBondContact O-N 2.81Å; V666-G668 VanDerWaalsContact O-N 3.13Å; V666-A669 HydrophobicContact CB-CB 4.23Å; V666-A669 HydrophobicContact CG1-CB 3.93Å; V666-A669 PolarHBondContact O-N 2.85Å; V666-N670 WeakPolarHBondContact CG2-OD1 3.42Å; V666-N670 PolarHBondContact N-O 3.17Å; V666-N670 PolarHBondContact O-N 2.79Å
667G84.9Confident85Confident29 Ų2947.5 Ų47.530%0.29930%0.302SS..THydrogen-bonded Turntrans-50.6118.1-170.700000113.3T653 A669T653-G667 PolarHBondContact OG1-N 3.34Å; T653-G667 VanDerWaalsContact OG1-N 3.15Å; G667-A669 PolarHBondContact O-N 3.36Å
668G80.8Confident85.2Confident40 Ų4045.9 Ų45.941%0.41229%0.293SS..THydrogen-bonded Turntrans71.15.9177.800000115.9C650 V666C650-G668 PolarHBondContact O-N 2.82Å; V666-G668 PolarHBondContact O-N 2.81Å; V666-G668 VanDerWaalsContact O-N 3.13Å
669A88.1Confident86Confident40 Ų4043.5 Ų43.533%0.33128%0.276SS..THydrogen-bonded Turntrans-117.6-68.9-174.600000113V666 G667 L685V666-A669 HydrophobicContact CB-CB 4.23Å; V666-A669 HydrophobicContact CG1-CB 3.93Å; V666-A669 PolarHBondContact O-N 2.85Å; G667-A669 PolarHBondContact O-N 3.36Å; A669-L685 PolarHBondContact O-N 2.82Å
670N90.6Very high87.1Confident21 Ų2136.8 Ų36.811%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-153.4165.5-176.863.527.2000112.4V666 V682 I683 L684 Y765V666-N670 WeakPolarHBondContact CG2-OD1 3.42Å; V666-N670 PolarHBondContact N-O 3.17Å; V666-N670 PolarHBondContact O-N 2.79Å; N670-V682 HydrophobicContact CB-CG1 4.12Å; N670-I683 CarbonylContact C-O 3.54Å; N670-I683 VanDerWaalsContact CA-O 3.25Å; N670-I683 WeakPolarHBondContact CA-O 3.37Å; N670-I683 WeakPolarHBondContact CB-O 3.44Å; N670-L684 HydrophobicContact CB-CD2 4.13Å; N670-L684 HydrophobicContact CB-CG 4.43Å; N670-Y765 PolarHBondContact ND2-OH 2.96Å
671V93Very high87.9Confident0 Ų028.2 Ų28.20%021%0.209CC..EExtended strand (participates in β ladder)trans-122.2122.7172.4-178.30000107.5V633 V638 V663 A664 V665 V673 I683 L685V633-V671 HydrophobicContact CG1-CB 4.47Å; V633-V671 HydrophobicContact CG1-CG2 4.07Å; V633-V671 HydrophobicContact CG2-CG1 4.19Å; V638-V671 HydrophobicContact CG2-CB 4.43Å; V638-V671 HydrophobicContact CG2-CG1 3.92Å; V638-V671 HydrophobicContact CG2-CG2 3.66Å; V663-V671 HydrophobicContact CG1-CG1 4.03Å; A664-V671 CarbonylContact O-C 3.55Å; A664-V671 WeakPolarHBondContact O-CA 3.15Å; V665-V671 HydrophobicContact CG1-CG2 4.36Å; V665-V671 HydrophobicContact CG2-CG1 4.29Å; V665-V671 HydrophobicContact CG2-CG2 4.23Å; V671-V673 HydrophobicContact CG1-CG2 4.39Å; V671-I683 HydrophobicContact CB-CB 4.35Å; V671-I683 PolarHBondContact N-O 3Å; V671-I683 PolarHBondContact O-N 2.88Å; V671-L685 HydrophobicContact CG2-CD1 4.41Å
672T92.7Very high88.3Confident38 Ų3828.1 Ų28.123%0.23321%0.209CC..EExtended strand (participates in β ladder)trans-103.7124.2175.7-54.50000109.1V663 A664 F681 V682V663-T672 CarbonylContact C-O 3.53Å; V663-T672 WeakPolarHBondContact CA-O 3.35Å; A664-T672 PolarHBondContact N-O 2.84Å; A664-T672 PolarHBondContact O-N 3.42Å; T672-F681 CarbonylContact C-O 3.59Å; T672-F681 WeakPolarHBondContact CA-O 3.17Å; T672-V682 HydrophobicContact CG2-CG2 4.34Å
673V91.6Very high88.6Confident0 Ų026.6 Ų26.60%020%0.199CC..EExtended strand (participates in β ladder)trans-112.1117175.3178.70000108.1V621 I631 L661 S662 V663 V671 V675 S680 F681V621-V673 HydrophobicContact CG1-CG1 4.39Å; I631-V673 HydrophobicContact CD1-CB 4.43Å; I631-V673 HydrophobicContact CD1-CG1 3.44Å; I631-V673 VanDerWaalsContact CD1-CG1 3.44Å; I631-V673 HydrophobicContact CD1-CG2 4.1Å; I631-V673 HydrophobicContact CG2-CG2 4.31Å; L661-V673 HydrophobicContact CD1-CG1 4.07Å; S662-V673 WeakPolarHBondContact O-CA 3.42Å; V663-V673 HydrophobicContact CG2-CG2 4.46Å; V671-V673 HydrophobicContact CG1-CG2 4.39Å; V673-V675 HydrophobicContact CG1-CG2 4.32Å; V673-S680 CarbonylContact O-C 3.57Å; V673-S680 VanDerWaalsContact O-CA 3.31Å; V673-S680 WeakPolarHBondContact O-CA 3.43Å; V673-F681 PolarHBondContact N-O 2.85Å; V673-F681 PolarHBondContact O-N 2.83Å
674T90Very high88.7Confident39 Ų3927.4 Ų27.424%0.23920%0.203CC..EExtended strand (participates in β ladder)trans-113.5126.1179.3-54.50000109.7L661 S662 I679L661-T674 WeakPolarHBondContact CA-O 3.3Å; S662-T674 PolarHBondContact N-O 2.81Å; S662-T674 PolarHBondContact O-N 2.84Å; T674-I679 CarbonylContact C-O 3.54Å; T674-I679 WeakPolarHBondContact CA-O 3.22Å
675V87.2Confident88.7Confident19 Ų1926.3 Ų26.312%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-117.2120.9-179.8-172.70000109.4V593 M623 R660 L661 V673 G677 N678 I679V593-V675 HydrophobicContact CG2-CG1 4.15Å; M623-V675 HydrophobicContact SD-CB 4.17Å; M623-V675 HydrophobicContact SD-CG1 3.54Å; M623-V675 VanDerWaalsContact SD-CG1 3.54Å; M623-V675 HydrophobicContact SD-CG2 3.54Å; M623-V675 VanDerWaalsContact SD-CG2 3.54Å; R660-V675 WeakPolarHBondContact O-CA 3.26Å; L661-V675 HydrophobicContact CD1-CG2 3.98Å; V673-V675 HydrophobicContact CG1-CG2 4.32Å; V675-G677 PolarHBondContact O-N 2.82Å; V675-G677 VanDerWaalsContact O-N 3.09Å; V675-N678 PolarHBondContact O-N 2.8Å; V675-I679 HydrophobicContact CB-CB 4.17Å; V675-I679 PolarHBondContact N-O 2.89Å; V675-I679 PolarHBondContact O-N 2.84Å; V675-I679 VanDerWaalsContact O-N 3.1Å
676G79.1Confident88.6Confident41 Ų4127.7 Ų27.742%0.42320%0.198SC..THydrogen-bonded Turntrans58.422.1176.300000115.2R660 N678R660-G676 PolarHBondContact O-N 2.97Å; G676-N678 PolarHBondContact O-N 2.9Å
677G76.8Confident88.3Confident52 Ų5229 Ų2954%0.53620%0.196SC..THydrogen-bonded Turntrans72-20.2-177.700000115.8V675V675-G677 PolarHBondContact O-N 2.82Å; V675-G677 VanDerWaalsContact O-N 3.09Å
678N84.3Confident88.2Confident98 Ų9831.2 Ų31.252%0.52420%0.196SC..THydrogen-bonded Turntrans-110.3-6.3-170.5-60.7-23000113.7V675 G676 N705 A707 G708V675-N678 PolarHBondContact O-N 2.8Å; G676-N678 PolarHBondContact O-N 2.9Å; N678-N705 VanDerWaalsContact O-CG 3.29Å; N678-N705 PolarHBondContact O-ND2 3.28Å; N678-N705 PolarHBondContact O-OD1 2.86Å; N678-A707 PolarHBondContact O-N 2.77Å; N678-G708 PolarHBondContact O-N 3.28Å
679I89.7Confident87.7Confident8 Ų839.2 Ų39.24%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-122.5129173.5-53.6171.7000107.1V593 T674 V675 F681 N705 L709V593-I679 HydrophobicContact CG2-CD1 4.06Å; T674-I679 CarbonylContact C-O 3.54Å; T674-I679 WeakPolarHBondContact CA-O 3.22Å; V675-I679 HydrophobicContact CB-CB 4.17Å; V675-I679 PolarHBondContact N-O 2.89Å; V675-I679 PolarHBondContact O-N 2.84Å; V675-I679 VanDerWaalsContact O-N 3.1Å; I679-F681 HydrophobicContact CG2-CD2 4.46Å; I679-F681 HydrophobicContact CG2-CE1 4.03Å; I679-F681 HydrophobicContact CG2-CE2 3.68Å; I679-F681 HydrophobicContact CG2-CZ 3.43Å; I679-F681 VanDerWaalsContact CG2-CZ 3.43Å; I679-N705 CarbonylContact C-O 3.53Å; I679-N705 VanDerWaalsContact CA-O 3.31Å; I679-N705 WeakPolarHBondContact CA-O 3.36Å; I679-L709 HydrophobicContact CD1-CD2 3.94Å; I679-L709 HydrophobicContact CD1-CG 4.31Å; I679-L709 HydrophobicContact CG1-CD2 4.47Å; I679-L709 HydrophobicContact CG1-CG 4.34Å; I679-L709 HydrophobicContact CG2-CD2 4.33Å; I679-L709 HydrophobicContact CG2-CG 4.33Å
680S90.7Very high87Confident20 Ų2044.6 Ų44.614%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-138.7137.6171.570.90000112.1V673 G704 N705V673-S680 CarbonylContact O-C 3.57Å; V673-S680 VanDerWaalsContact O-CA 3.31Å; V673-S680 WeakPolarHBondContact O-CA 3.43Å; S680-G704 WeakPolarHBondContact O-CA 3.23Å; S680-G704 PolarHBondContact O-N 2.97Å; S680-N705 PolarHBondContact N-O 2.87Å; S680-N705 PolarHBondContact O-N 3.02Å; S680-N705 VanDerWaalsContact O-N 3.1Å; S680-N705 VanDerWaalsContact OG-CB 3.26Å; S680-N705 WeakPolarHBondContact OG-CB 3.27Å; S680-N705 PolarHBondContact OG-N 3.41Å
681F93.9Very high86.4Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-119.6137.4175.7-54.1-61000109.5V593 V595 V621 T672 V673 I679 F701 Y702 I703V593-F681 HydrophobicContact CG1-CE2 3.68Å; V593-F681 HydrophobicContact CG1-CZ 3.81Å; V595-F681 HydrophobicContact CG2-CD2 4.35Å; V595-F681 HydrophobicContact CG2-CE1 4.39Å; V595-F681 HydrophobicContact CG2-CE2 3.96Å; V595-F681 HydrophobicContact CG2-CZ 3.97Å; V621-F681 HydrophobicContact CG1-CD2 4.17Å; V621-F681 HydrophobicContact CG1-CE2 4.1Å; V621-F681 HydrophobicContact CG2-CD2 4.34Å; T672-F681 CarbonylContact C-O 3.59Å; T672-F681 WeakPolarHBondContact CA-O 3.17Å; V673-F681 PolarHBondContact N-O 2.85Å; V673-F681 PolarHBondContact O-N 2.83Å; I679-F681 HydrophobicContact CG2-CD2 4.46Å; I679-F681 HydrophobicContact CG2-CE1 4.03Å; I679-F681 HydrophobicContact CG2-CE2 3.68Å; I679-F681 HydrophobicContact CG2-CZ 3.43Å; I679-F681 VanDerWaalsContact CG2-CZ 3.43Å; F681-F701 HydrophobicContact CB-CE2 3.79Å; F681-F701 HydrophobicContact CB-CZ 4.3Å; F681-F701 AromaticContact CD1-CE2 3.86Å; F681-F701 HydrophobicContact CD1-CE2 3.86Å; F681-F701 AromaticContact CD1-CZ 3.48Å; F681-F701 HydrophobicContact CD1-CZ 3.48Å; F681-F701 VanDerWaalsContact CD1-CZ 3.48Å; F681-F701 AromaticContact CE1-CZ 4Å; F681-F701 HydrophobicContact CE1-CZ 4Å; F681-F701 AromaticContact CG-CE2 3.9Å; F681-F701 HydrophobicContact CG-CE2 3.9Å; F681-F701 HydrophobicContact CG-CZ 4.01Å; F681-Y702 CarbonylContact C-O 3.52Å; F681-Y702 WeakPolarHBondContact CA-O 3.32Å; F681-I703 HydrophobicContact CD1-CG1 4.38Å; F681-I703 HydrophobicContact CE1-CG1 4.44Å
682V93.1Very high85.5Confident11 Ų1148.2 Ų48.27%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-115119.5175.7-179.90000108.2N670 T672 Y702N670-V682 HydrophobicContact CB-CG1 4.12Å; T672-V682 HydrophobicContact CG2-CG2 4.34Å; V682-Y702 PolarHBondContact N-O 3.49Å; V682-Y702 WeakPolarHBondContact O-CB 3.43Å; V682-Y702 PolarHBondContact O-N 3.42Å
683I93.6Very high84.5Confident0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-107.5108.8178.7-59.3162.3000107.8V619 V633 N670 V671 L699 G700 F701V619-I683 HydrophobicContact CB-CD1 4.3Å; V619-I683 HydrophobicContact CG1-CD1 3.99Å; V619-I683 HydrophobicContact CG1-CG1 4.42Å; V633-I683 HydrophobicContact CB-CD1 4.05Å; V633-I683 HydrophobicContact CB-CG2 4.34Å; V633-I683 HydrophobicContact CG1-CG2 3.83Å; V633-I683 HydrophobicContact CG2-CD1 3.57Å; N670-I683 CarbonylContact C-O 3.54Å; N670-I683 VanDerWaalsContact CA-O 3.25Å; N670-I683 WeakPolarHBondContact CA-O 3.37Å; N670-I683 WeakPolarHBondContact CB-O 3.44Å; V671-I683 HydrophobicContact CB-CB 4.35Å; V671-I683 PolarHBondContact N-O 3Å; V671-I683 PolarHBondContact O-N 2.88Å; I683-L699 HydrophobicContact CG2-CB 4.1Å; I683-L699 HydrophobicContact CG2-CD1 4.28Å; I683-L699 HydrophobicContact CG2-CD2 4.15Å; I683-L699 HydrophobicContact CG2-CG 4.41Å; I683-G700 CarbonylContact C-O 3.58Å; I683-G700 WeakPolarHBondContact CA-O 3.26Å; I683-F701 HydrophobicContact CG1-CD2 4.08Å
684L91.8Very high83.9Confident16 Ų1655.3 Ų55.38%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-81.8137.5-179.5-91.3160.5000111.2N670 L699 G700 Y702 Y765N670-L684 HydrophobicContact CB-CD2 4.13Å; N670-L684 HydrophobicContact CB-CG 4.43Å; L684-L699 CarbonylContact O-C 3.56Å; L684-L699 VanDerWaalsContact O-CA 3.29Å; L684-L699 WeakPolarHBondContact O-CA 3.43Å; L684-G700 PolarHBondContact N-O 2.82Å; L684-G700 PolarHBondContact O-N 3.25Å; L684-Y702 HydrophobicContact CB-CE2 4.16Å; L684-Y702 HydrophobicContact CD1-CD2 3.73Å; L684-Y702 HydrophobicContact CD1-CE1 4.33Å; L684-Y702 HydrophobicContact CD1-CE2 3.19Å; L684-Y702 HydrophobicContact CG-CD2 4.38Å; L684-Y702 HydrophobicContact CG-CE2 4.11Å; L684-Y765 HydrophobicContact CD1-CD2 3.34Å; L684-Y765 HydrophobicContact CD1-CE2 3.59Å; L684-Y765 HydrophobicContact CD1-CG 3.85Å; L684-Y765 HydrophobicContact CD2-CE2 4.32Å; L684-Y765 HydrophobicContact CG-CD2 4.4Å; L684-Y765 HydrophobicContact CG-CE2 4.2Å
685L90.3Very high83.5Confident12 Ų1256.1 Ų56.16%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-99.5113179.6-63.1163.9000109.8C650 A669 V671 L699C650-L685 HydrophobicContact CB-CD1 3.84Å; C650-L685 HydrophobicContact CB-CD2 4.28Å; A669-L685 PolarHBondContact O-N 2.82Å; V671-L685 HydrophobicContact CG2-CD1 4.41Å; L685-L699 HydrophobicContact CD2-CD2 3.61Å
686H88.3Confident83.3Confident30 Ų3061.2 Ų61.214%0.13932%0.322CS..EExtended strand (participates in β ladder)trans-101.1107.4172.4-61.5-83.4000109.5D554 D697 H698D554-H686 VanDerWaalsContact CG-NE2 3.3Å; D554-H686 IonicContact OD1-CD2 2.69Å; D554-H686 PolarHBondContact OD1-CD2 2.83Å; D554-H686 IonicContact OD1-CE1 3.01Å; D554-H686 IonicContact OD1-NE2 2.99Å; D554-H686 PolarHBondContact OD1-NE2 3.32Å; D554-H686 IonicContact OD2-CE1 3.42Å; D554-H686 IonicContact OD2-NE2 3.77Å; D554-H686 PolarHBondContact OD2-NE2 3.16Å; H686-D697 VanDerWaalsContact O-CA 3.27Å; H686-D697 WeakPolarHBondContact O-CA 3.36Å; H686-H698 VanDerWaalsContact CB-CE1 3.43Å; H686-H698 WeakPolarHBondContact CB-CE1 3.29Å; H686-H698 WeakPolarHBondContact CB-O 3.39Å; H686-H698 AromaticContact CD2-CD2 3.49Å; H686-H698 PolarHBondContact CD2-CD2 3.46Å; H686-H698 VanDerWaalsContact CD2-CD2 3.49Å; H686-H698 AromaticContact CD2-CE1 3.98Å; H686-H698 AromaticContact CD2-NE2 3.33Å; H686-H698 PolarHBondContact CD2-NE2 3.17Å; H686-H698 VanDerWaalsContact CD2-NE2 3.33Å; H686-H698 AromaticContact CG-CD2 3.98Å; H686-H698 AromaticContact CG-CE1 3.73Å; H686-H698 AromaticContact CG-NE2 3.52Å; H686-H698 PolarHBondContact N-O 3.47Å; H686-H698 AromaticContact NE2-NE2 3.92Å; H686-H698 PolarHBondContact O-N 3.36Å
687R83.8Confident83.7Confident96 Ų9662.2 Ų62.236%0.36232%0.318SS..  trans-117.8135.4177.8-67.2-174.6-178.2175.21.5111.5P635 D697P635-R687 PolarHBondContact O-NE 2.84Å; P635-R687 PolarHBondContact O-NH2 2.93Å; R687-D697 WeakPolarHBondContact CA-OD1 3.47Å
688Y82Confident84.4Confident75 Ų7560 Ų6029%0.29429%0.294SS..  trans-111.8126.1179.4-60.7-82.2000110.3P691 Q695 R696 D697 H698Y688-P691 HydrophobicContact CG-CB 4.44Å; Y688-Q695 HydrophobicContact CD2-CB 4.28Å; Y688-Q695 HydrophobicContact CE1-CG 4.4Å; Y688-Q695 HydrophobicContact CE2-CB 4.32Å; Y688-Q695 HydrophobicContact CG-CB 4.44Å; Y688-R696 WeakPolarHBondContact CE2-O 3.16Å; Y688-D697 PolarHBondContact N-OD1 3.21Å; Y688-H698 AromaticContact CE2-CE1 3.97Å; Y688-H698 AromaticContact CE2-ND1 3.92Å; Y688-H698 PolarHBondContact OH-CE1 3.38Å
689K71.2Confident84.8Confident207 Ų20755.3 Ų55.390%0.927%0.269SS*.SBendtrans-68.4-40.9175.2-70.2-175.9178-179.20111.8
690N72.6Confident84.9Confident154 Ų15454.9 Ų54.982%0.82427%0.267SS*.SBendtrans-132.677.5178.2-68.7-17.5000109.4S692N690-S692 PolarHBondContact O-N 3.18Å
691P78Confident85.1Confident70 Ų7054 Ų5446%0.45526%0.26SS..  trans-67.5132.9-178.225.1-30.5000111.1Y688 Q695Y688-P691 HydrophobicContact CG-CB 4.44Å; P691-Q695 HydrophobicContact CB-CB 3.93Å
692S75.2Confident85Confident26 Ų2654.1 Ų54.118%0.18226%0.261CS..  trans-64.4161.5162.358.40000110.7N690 Y694 Q695N690-S692 PolarHBondContact O-N 3.18Å; S692-Y694 PolarHBondContact O-N 3.44Å; S692-Y694 WeakPolarHBondContact OG-CD2 3.22Å; S692-Y694 WeakPolarHBondContact OG-CE2 3Å; S692-Q695 PolarHBondContact O-N 3.14Å; S692-Q695 VanDerWaalsContact OG-CG 3.31Å; S692-Q695 WeakPolarHBondContact OG-CG 3.41Å; S692-Q695 PolarHBondContact OG-OE1 3.26Å
693P71.8Confident84.8Confident104 Ų10453.6 Ų53.668%0.67526%0.258SS*.THydrogen-bonded Turntrans-55.6-24.7-175.4-28.135.5000115.1P603P603-P693 VanDerWaalsContact CD-O 3.26Å; P603-P693 WeakPolarHBondContact CD-O 3.34Å
694Y79.1Confident84.4Confident83 Ų8354 Ų5433%0.32526%0.262SS..THydrogen-bonded Turntrans-96.75.9179.750.9-96.7000113.8P603 P605 Y615 S692P603-Y694 WeakPolarHBondContact O-CA 3.31Å; P603-Y694 WeakPolarHBondContact O-CB 3.33Å; P605-Y694 HydrophobicContact CB-CD1 4.46Å; P605-Y694 HydrophobicContact CG-CD1 4.45Å; P605-Y694 HydrophobicContact CG-CD2 4.08Å; P605-Y694 HydrophobicContact CG-CG 4.01Å; Y615-Y694 PolarHBondContact OH-O 3.29Å; S692-Y694 PolarHBondContact O-N 3.44Å; S692-Y694 WeakPolarHBondContact OG-CD2 3.22Å; S692-Y694 WeakPolarHBondContact OG-CE2 3Å
695Q80.7Confident84.1Confident57 Ų5756 Ų5627%0.26627%0.273SS..  trans-108.2136.2174.6-74.6171-39.800110.2Y688 P691 S692Y688-Q695 HydrophobicContact CD2-CB 4.28Å; Y688-Q695 HydrophobicContact CE1-CG 4.4Å; Y688-Q695 HydrophobicContact CE2-CB 4.32Å; Y688-Q695 HydrophobicContact CG-CB 4.44Å; P691-Q695 HydrophobicContact CB-CB 3.93Å; S692-Q695 PolarHBondContact O-N 3.14Å; S692-Q695 VanDerWaalsContact OG-CG 3.31Å; S692-Q695 WeakPolarHBondContact OG-CG 3.41Å; S692-Q695 PolarHBondContact OG-OE1 3.26Å
696R83.6Confident83.9Confident125 Ų12557 Ų5747%0.47228%0.28SS..  trans-132.2144.3173.7-68.1-71.3-174.3139.50.8108.4A602 Y615 Y688 H698A602-R696 HydrophobicContact CB-CG 3.82Å; Y615-R696 HydrophobicContact CD2-CB 4.24Å; Y688-R696 WeakPolarHBondContact CE2-O 3.16Å; R696-H698 PolarHBondContact O-N 2.73Å; R696-H698 PolarHBondContact O-ND1 2.03Å
697D88.4Confident83.8Confident63 Ų6359.3 Ų59.334%0.33731%0.305SS..  trans-57.9129.7166.6-762.6000108.8P635 H686 R687 Y688P635-D697 HydrophobicContact CB-CB 4.02Å; P635-D697 HydrophobicContact CG-CB 4.17Å; H686-D697 VanDerWaalsContact O-CA 3.27Å; H686-D697 WeakPolarHBondContact O-CA 3.36Å; R687-D697 WeakPolarHBondContact CA-OD1 3.47Å; Y688-D697 PolarHBondContact N-OD1 3.21Å
698H90.9Very high83.7Confident4 Ų456.1 Ų56.12%0.01930%0.302CS..EExtended strand (participates in β ladder)trans-151.9174.3-17266.3-82.8000112.8D554 Y615 F616 H686 Y688 R696D554-H698 IonicContact OD1-NE2 3.92Å; Y615-H698 VanDerWaalsContact CB-CB 3.48Å; Y615-H698 HydrophobicContact CD1-CB 4.19Å; Y615-H698 AromaticContact CD1-CD2 3.7Å; Y615-H698 AromaticContact CD1-CE1 3.82Å; Y615-H698 AromaticContact CD1-CG 3.64Å; Y615-H698 AromaticContact CD1-ND1 3.71Å; Y615-H698 AromaticContact CD1-NE2 3.8Å; Y615-H698 AromaticContact CE1-CE1 3.94Å; Y615-H698 HydrophobicContact CG-CB 4.09Å; F616-H698 CarbonylContact O-C 3.5Å; F616-H698 VanDerWaalsContact O-CA 3.31Å; F616-H698 WeakPolarHBondContact O-CA 3.3Å; F616-H698 WeakPolarHBondContact O-CB 3.42Å; H686-H698 VanDerWaalsContact CB-CE1 3.43Å; H686-H698 WeakPolarHBondContact CB-CE1 3.29Å; H686-H698 WeakPolarHBondContact CB-O 3.39Å; H686-H698 AromaticContact CD2-CD2 3.49Å; H686-H698 PolarHBondContact CD2-CD2 3.46Å; H686-H698 VanDerWaalsContact CD2-CD2 3.49Å; H686-H698 AromaticContact CD2-CE1 3.98Å; H686-H698 AromaticContact CD2-NE2 3.33Å; H686-H698 PolarHBondContact CD2-NE2 3.17Å; H686-H698 VanDerWaalsContact CD2-NE2 3.33Å; H686-H698 AromaticContact CG-CD2 3.98Å; H686-H698 AromaticContact CG-CE1 3.73Å; H686-H698 AromaticContact CG-NE2 3.52Å; H686-H698 PolarHBondContact N-O 3.47Å; H686-H698 AromaticContact NE2-NE2 3.92Å; H686-H698 PolarHBondContact O-N 3.36Å; Y688-H698 AromaticContact CE2-CE1 3.97Å; Y688-H698 AromaticContact CE2-ND1 3.92Å; Y688-H698 PolarHBondContact OH-CE1 3.38Å; R696-H698 PolarHBondContact O-N 2.73Å; R696-H698 PolarHBondContact O-ND1 2.03Å
699L92.9Very high84Confident0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-114.1141.1-178-55.4176.9000110.6F616 V619 V633 P635 I683 L684 L685F616-L699 HydrophobicContact CB-CB 4.18Å; F616-L699 PolarHBondContact O-N 3.34Å; V619-L699 HydrophobicContact CB-CD1 4.26Å; V619-L699 HydrophobicContact CG2-CB 4.2Å; V619-L699 HydrophobicContact CG2-CD1 3.95Å; V633-L699 HydrophobicContact CB-CD1 4.45Å; V633-L699 HydrophobicContact CG1-CD1 4.21Å; V633-L699 HydrophobicContact CG1-CD2 4.32Å; V633-L699 WeakPolarHBondContact O-CD1 3.28Å; P635-L699 HydrophobicContact CG-CD2 4.22Å; P635-L699 HydrophobicContact CG-CG 4.41Å; I683-L699 HydrophobicContact CG2-CB 4.1Å; I683-L699 HydrophobicContact CG2-CD1 4.28Å; I683-L699 HydrophobicContact CG2-CD2 4.15Å; I683-L699 HydrophobicContact CG2-CG 4.41Å; L684-L699 CarbonylContact O-C 3.56Å; L684-L699 VanDerWaalsContact O-CA 3.29Å; L684-L699 WeakPolarHBondContact O-CA 3.43Å; L685-L699 HydrophobicContact CD2-CD2 3.61Å
700G91.4Very high84.8Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-104.7141.1162.500000109.6D554 I683 L684D554-G700 VanDerWaalsContact OD1-CA 3.29Å; D554-G700 WeakPolarHBondContact OD1-CA 3.31Å; I683-G700 CarbonylContact C-O 3.58Å; I683-G700 WeakPolarHBondContact CA-O 3.26Å; L684-G700 PolarHBondContact N-O 2.82Å; L684-G700 PolarHBondContact O-N 3.25Å
701F94.1Very high85.5Confident0 Ų041.6 Ų41.60%025%0.247CC..EExtended strand (participates in β ladder)trans-114.9131.5178.7175.7-98.8000110.8S552 A553 L584 V585 V595 V619 F681 I683 I703 L717S552-F701 CarbonylContact C-O 3.6Å; S552-F701 WeakPolarHBondContact CA-O 3.17Å; S552-F701 WeakPolarHBondContact CB-O 3.3Å; A553-F701 PolarHBondContact N-O 3.33Å; A553-F701 PolarHBondContact O-N 2.91Å; L584-F701 HydrophobicContact CB-CD1 4.46Å; L584-F701 HydrophobicContact CB-CE1 4.35Å; L584-F701 HydrophobicContact CD1-CB 4.06Å; L584-F701 HydrophobicContact CD1-CD1 3.77Å; L584-F701 HydrophobicContact CD1-CE1 4.36Å; L584-F701 HydrophobicContact CD1-CG 3.85Å; V585-F701 HydrophobicContact CG2-CE1 4.07Å; V585-F701 HydrophobicContact CG2-CZ 4.18Å; V595-F701 HydrophobicContact CB-CE2 4.43Å; V595-F701 HydrophobicContact CB-CZ 4.22Å; V595-F701 HydrophobicContact CG1-CD2 4.14Å; V595-F701 HydrophobicContact CG1-CE2 3.59Å; V595-F701 HydrophobicContact CG1-CZ 3.79Å; V595-F701 HydrophobicContact CG2-CE2 4.34Å; V595-F701 HydrophobicContact CG2-CZ 4.14Å; V619-F701 HydrophobicContact CG1-CD2 4.06Å; F681-F701 HydrophobicContact CB-CE2 3.79Å; F681-F701 HydrophobicContact CB-CZ 4.3Å; F681-F701 AromaticContact CD1-CE2 3.86Å; F681-F701 HydrophobicContact CD1-CE2 3.86Å; F681-F701 AromaticContact CD1-CZ 3.48Å; F681-F701 HydrophobicContact CD1-CZ 3.48Å; F681-F701 VanDerWaalsContact CD1-CZ 3.48Å; F681-F701 AromaticContact CE1-CZ 4Å; F681-F701 HydrophobicContact CE1-CZ 4Å; F681-F701 AromaticContact CG-CE2 3.9Å; F681-F701 HydrophobicContact CG-CE2 3.9Å; F681-F701 HydrophobicContact CG-CZ 4.01Å; I683-F701 HydrophobicContact CG1-CD2 4.08Å; F701-I703 HydrophobicContact CE1-CD1 4.49Å; F701-I703 HydrophobicContact CE1-CG1 3.84Å; F701-I703 HydrophobicContact CZ-CG1 4.23Å; F701-L717 HydrophobicContact CD1-CD1 3.61Å; F701-L717 HydrophobicContact CE1-CD1 3.76Å
702Y91.9Very high85.9Confident3 Ų346.9 Ų46.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-134.8137.5-176.1-64.8-107000109.9D554 F681 V682 L684 I764 Y765D554-Y702 HydrophobicContact CB-CE2 4.26Å; D554-Y702 WeakPolarHBondContact CB-OH 3.47Å; D554-Y702 PolarHBondContact OD2-OH 2.85Å; F681-Y702 CarbonylContact C-O 3.52Å; F681-Y702 WeakPolarHBondContact CA-O 3.32Å; V682-Y702 PolarHBondContact N-O 3.49Å; V682-Y702 WeakPolarHBondContact O-CB 3.43Å; V682-Y702 PolarHBondContact O-N 3.42Å; L684-Y702 HydrophobicContact CB-CE2 4.16Å; L684-Y702 HydrophobicContact CD1-CD2 3.73Å; L684-Y702 HydrophobicContact CD1-CE1 4.33Å; L684-Y702 HydrophobicContact CD1-CE2 3.19Å; L684-Y702 HydrophobicContact CG-CD2 4.38Å; L684-Y702 HydrophobicContact CG-CE2 4.11Å; Y702-I764 HydrophobicContact CE1-CB 4.41Å; Y702-Y765 HydrophobicContact CD1-CD2 4.43Å; Y702-Y765 HydrophobicContact CE1-CD2 4.19Å; Y702-Y765 WeakPolarHBondContact OH-CA 3.43Å; Y702-Y765 PolarHBondContact OH-N 3.02Å
703I89.6Confident86.5Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-89.5108172.2-56.9179.3000107.5S549 T551 V585 F681 F701 L717 L721S549-I703 VanDerWaalsContact CB-O 3.32Å; S549-I703 WeakPolarHBondContact CB-O 3.18Å; S549-I703 PolarHBondContact OG-O 2.87Å; T551-I703 HydrophobicContact CG2-CD1 3.92Å; T551-I703 HydrophobicContact CG2-CG1 4.47Å; T551-I703 PolarHBondContact O-N 3.33Å; V585-I703 HydrophobicContact CG2-CD1 3.97Å; F681-I703 HydrophobicContact CD1-CG1 4.38Å; F681-I703 HydrophobicContact CE1-CG1 4.44Å; F701-I703 HydrophobicContact CE1-CD1 4.49Å; F701-I703 HydrophobicContact CE1-CG1 3.84Å; F701-I703 HydrophobicContact CZ-CG1 4.23Å; I703-L717 HydrophobicContact CD1-CB 4.04Å; I703-L721 HydrophobicContact CD1-CD1 4.26Å; I703-L721 HydrophobicContact CD1-CD2 4.15Å
704G84.9Confident87.4Confident9 Ų944.5 Ų44.59%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-77-56.5179.700000111.8S680S680-G704 WeakPolarHBondContact O-CA 3.23Å; S680-G704 PolarHBondContact O-N 2.97Å
705N86.1Confident88Confident59 Ų5940.5 Ų40.532%0.31622%0.22SC..EExtended strand (participates in β ladder)trans-131.8127.2177.6-173.91.7000109.3N678 I679 S680 A707N678-N705 VanDerWaalsContact O-CG 3.29Å; N678-N705 PolarHBondContact O-ND2 3.28Å; N678-N705 PolarHBondContact O-OD1 2.86Å; I679-N705 CarbonylContact C-O 3.53Å; I679-N705 VanDerWaalsContact CA-O 3.31Å; I679-N705 WeakPolarHBondContact CA-O 3.36Å; S680-N705 PolarHBondContact N-O 2.87Å; S680-N705 PolarHBondContact O-N 3.02Å; S680-N705 VanDerWaalsContact O-N 3.1Å; S680-N705 VanDerWaalsContact OG-CB 3.26Å; S680-N705 WeakPolarHBondContact OG-CB 3.27Å; S680-N705 PolarHBondContact OG-N 3.41Å; N705-A707 VanDerWaalsContact OD1-CB 3.31Å; N705-A707 WeakPolarHBondContact OD1-CB 3.03Å; N705-A707 PolarHBondContact OD1-N 3.48Å
706S86.1Confident88.5Confident31 Ų3137.8 Ų37.822%0.21721%0.207CC..  trans-112.83.9-179.8550000113.6G708 L709S706-G708 PolarHBondContact O-N 3.5Å; S706-G708 VanDerWaalsContact O-N 3.12Å; S706-L709 WeakPolarHBondContact O-CB 3.37Å; S706-L709 PolarHBondContact O-N 2.78Å
707A85Confident88.8Confident79 Ų7931.9 Ų31.965%0.65318%0.184SC*.THydrogen-bonded Turntrans-58.5-29.3-173.800000113.7N678 N705N678-A707 PolarHBondContact O-N 2.77Å; N705-A707 VanDerWaalsContact OD1-CB 3.31Å; N705-A707 WeakPolarHBondContact OD1-CB 3.03Å; N705-A707 PolarHBondContact OD1-N 3.48Å
708G83.2Confident88.7Confident30 Ų3028.9 Ų28.931%0.30917%0.169SC..THydrogen-bonded Turntrans-86.7-3.4175.700000115.7N678 S706N678-G708 PolarHBondContact O-N 3.28Å; S706-G708 PolarHBondContact O-N 3.5Å; S706-G708 VanDerWaalsContact O-N 3.12Å
709L87.9Confident88.6Confident5 Ų529.1 Ų29.13%0.02617%0.17CC..SBendtrans-84.8134.7176.8-66.3171.6000110.4V585 D587 I679 S706 C713 L721 H722V585-L709 HydrophobicContact CG1-CD1 4.31Å; V585-L709 HydrophobicContact CG1-CD2 4.32Å; D587-L709 HydrophobicContact CB-CD2 4.11Å; I679-L709 HydrophobicContact CD1-CD2 3.94Å; I679-L709 HydrophobicContact CD1-CG 4.31Å; I679-L709 HydrophobicContact CG1-CD2 4.47Å; I679-L709 HydrophobicContact CG1-CG 4.34Å; I679-L709 HydrophobicContact CG2-CD2 4.33Å; I679-L709 HydrophobicContact CG2-CG 4.33Å; S706-L709 WeakPolarHBondContact O-CB 3.37Å; S706-L709 PolarHBondContact O-N 2.78Å; L709-C713 HydrophobicContact CB-CB 4.31Å; L709-L721 HydrophobicContact CD1-CD1 3.56Å; L709-H722 PolarHBondContact O-NE2 2.89Å; L709-H722 VanDerWaalsContact O-NE2 3.09Å
710S88.3Confident88.4Confident18 Ų1829.2 Ų29.213%0.12617%0.17CC..  trans-68.8160-175.688.10000112.8D587 Y590 R712 C713 H722D587-S710 WeakPolarHBondContact OD1-CB 3.3Å; D587-S710 PolarHBondContact OD1-OG 2.92Å; D587-S710 PolarHBondContact OD2-N 3.12Å; Y590-S710 WeakPolarHBondContact CD2-OG 3.33Å; S710-R712 PolarHBondContact O-N 2.93Å; S710-R712 PolarHBondContact OG-N 3.12Å; S710-R712 VanDerWaalsContact OG-N 3.09Å; S710-C713 WeakPolarHBondContact O-CB 3.31Å; S710-C713 PolarHBondContact O-N 3.1Å; S710-C713 PolarHBondContact OG-N 3.42Å; S710-H722 PolarHBondContact O-CD2 3.3Å; S710-H722 VanDerWaalsContact O-CD2 3.3Å; S710-H722 PolarHBondContact O-NE2 2.86Å
711P85.4Confident88Confident108 Ų10829.7 Ų29.770%0.70117%0.173SC*.THydrogen-bonded Turntrans-59.5-14169.9-24.935.3000114.4
712R86.8Confident87.4Confident180 Ų18033.6 Ų33.668%0.67919%0.191SC*.THydrogen-bonded Turntrans-98.210.5175.9-62.2-163.2-177.2-178.3-6.7113.2Y590 S710 H714Y590-R712 HydrophobicContact CD2-CB 4.11Å; Y590-R712 HydrophobicContact CE2-CB 3.72Å; Y590-R712 HydrophobicContact CE2-CG 4.17Å; Y590-R712 VanDerWaalsContact OH-CD 3.31Å; Y590-R712 WeakPolarHBondContact OH-CD 3.35Å; Y590-R712 PolarHBondContact OH-NH1 3.01Å; S710-R712 PolarHBondContact O-N 2.93Å; S710-R712 PolarHBondContact OG-N 3.12Å; S710-R712 VanDerWaalsContact OG-N 3.09Å; R712-H714 PolarHBondContact O-N 3.33Å
713C88.9Confident86.9Confident8 Ų836.1 Ų36.15%0.05420%0.203CC..  trans-57129.9173.1-1750000110.2D587 L709 S710 G718D587-C713 HydrophobicContact CB-CB 4.13Å; L709-C713 HydrophobicContact CB-CB 4.31Å; S710-C713 WeakPolarHBondContact O-CB 3.31Å; S710-C713 PolarHBondContact O-N 3.1Å; S710-C713 PolarHBondContact OG-N 3.42Å; C713-G718 CarbonylContact O-C 3.56Å
714H91Very high86.2Confident72 Ų7242.4 Ų42.433%0.33323%0.232SC..BIsolated β-bridgetrans-125.5-175.8-177.5-153.8-90.1000111.1V585 S586 R712 G718 D785 Y791V585-H714 CarbonylContact C-O 3.5Å; V585-H714 WeakPolarHBondContact CA-O 3.5Å; S586-H714 PolarHBondContact N-O 2.8Å; S586-H714 PolarHBondContact O-N 3.09Å; R712-H714 PolarHBondContact O-N 3.33Å; H714-G718 WeakPolarHBondContact O-CA 3.38Å; H714-D785 IonicContact NE2-OD2 2.77Å; H714-Y791 AromaticContact CE1-CE1 3.66Å; H714-Y791 AromaticContact CE1-CZ 3.89Å; H714-Y791 PolarHBondContact CE1-OH 3.48Å; H714-Y791 AromaticContact ND1-CE1 3.71Å
715G90.4Very high85.8Confident0 Ų042.4 Ų42.40%023%0.23CC..SBendtrans111176.5-178.500000111.9L584 L717 Q719L584-G715 CarbonylContact O-C 3.54Å; G715-L717 PolarHBondContact O-N 3.32Å; G715-L717 VanDerWaalsContact O-N 3.17Å; G715-Q719 WeakPolarHBondContact O-CB 3.42Å; G715-Q719 VanDerWaalsContact O-CG 3.31Å; G715-Q719 WeakPolarHBondContact O-CG 3.31Å; G715-Q719 PolarHBondContact O-N 2.89Å; G715-Q719 PolarHBondContact O-NE2 2.8Å
716L91.1Very high85.2Confident0 Ų041.3 Ų41.30%023%0.233CC..THydrogen-bonded Turntrans-60.8-25.9-178.1-71.5173.7000113.4F559 I574 L582 R583 L584 F720 I784 Y791F559-L716 HydrophobicContact CE1-CB 4.09Å; F559-L716 HydrophobicContact CE1-CD1 4.15Å; F559-L716 HydrophobicContact CZ-CD1 4.09Å; I574-L716 HydrophobicContact CD1-CD2 4.5Å; I574-L716 HydrophobicContact CG1-CD1 4.5Å; I574-L716 HydrophobicContact CG1-CD2 4.48Å; L582-L716 HydrophobicContact CB-CD1 4.01Å; L582-L716 HydrophobicContact CD1-CD1 4.07Å; L582-L716 HydrophobicContact CG-CD1 4.46Å; R583-L716 PolarHBondContact O-N 3.41Å; L584-L716 PolarHBondContact O-N 3.03Å; L716-F720 WeakPolarHBondContact O-CE2 3.45Å; L716-I784 HydrophobicContact CD2-CD1 4.3Å; L716-I784 HydrophobicContact CD2-CG2 4.44Å; L716-Y791 HydrophobicContact CD2-CD1 4.13Å; L716-Y791 HydrophobicContact CD2-CD2 3.77Å; L716-Y791 HydrophobicContact CD2-CE1 4.49Å; L716-Y791 HydrophobicContact CD2-CE2 4.17Å; L716-Y791 HydrophobicContact CD2-CG 3.74Å; L716-Y791 HydrophobicContact CG-CD1 4.06Å; L716-Y791 HydrophobicContact CG-CD2 4.45Å; L716-Y791 HydrophobicContact CG-CG 3.91Å
717L90.4Very high84.5Confident0 Ų042.5 Ų42.50%024%0.239CC..THydrogen-bonded Turntrans-110.4-40.5174.2-64.1174.9000112.1T551 A553 F559 V561 L584 F701 I703 G715 Q719 F720T551-L717 HydrophobicContact CG2-CB 4.11Å; T551-L717 HydrophobicContact CG2-CD2 3.93Å; T551-L717 HydrophobicContact CG2-CG 4.45Å; A553-L717 HydrophobicContact CB-CD1 4.26Å; F559-L717 HydrophobicContact CD1-CD2 3.8Å; F559-L717 HydrophobicContact CD1-CG 4.26Å; V561-L717 HydrophobicContact CG2-CD2 3.86Å; L584-L717 PolarHBondContact O-N 2.69Å; F701-L717 HydrophobicContact CD1-CD1 3.61Å; F701-L717 HydrophobicContact CE1-CD1 3.76Å; I703-L717 HydrophobicContact CD1-CB 4.04Å; G715-L717 PolarHBondContact O-N 3.32Å; G715-L717 VanDerWaalsContact O-N 3.17Å; L717-Q719 VanDerWaalsContact C-N 3.31Å; L717-Q719 PolarHBondContact O-N 2.81Å; L717-F720 PolarHBondContact O-N 3.09Å
718G87.3Confident83.9Confident1 Ų140.9 Ų40.91%0.0123%0.226CC..G310 helixtrans-61.6-34-172.600000114.6L584 C713 H714 F720 L721L584-G718 PolarHBondContact O-N 3.08Å; C713-G718 CarbonylContact O-C 3.56Å; H714-G718 WeakPolarHBondContact O-CA 3.38Å; G718-F720 PolarHBondContact O-N 3.29Å; G718-L721 PolarHBondContact O-N 3.44Å
719Q88.6Confident82.7Confident8 Ų844.8 Ų44.84%0.03725%0.245CC..G310 helixtrans-63.2-14.2-175.374.7-173-68.400114.8G715 L717 E723 Y791G715-Q719 WeakPolarHBondContact O-CB 3.42Å; G715-Q719 VanDerWaalsContact O-CG 3.31Å; G715-Q719 WeakPolarHBondContact O-CG 3.31Å; G715-Q719 PolarHBondContact O-N 2.89Å; G715-Q719 PolarHBondContact O-NE2 2.8Å; L717-Q719 VanDerWaalsContact C-N 3.31Å; L717-Q719 PolarHBondContact O-N 2.81Å; Q719-E723 WeakPolarHBondContact O-CG 3.27Å; Q719-Y791 PolarHBondContact NE2-OH 3.33Å; Q719-Y791 PolarHBondContact OE1-OH 2.86Å
720F87.6Confident81.2Confident3 Ų348.9 Ų48.91%0.01327%0.267CS..G310 helixtrans-105.5-8.2-175.9-57.9-65.1000113.7V561 F563 F572 L716 L717 G718 H722 E723 L783 I784V561-F720 HydrophobicContact CB-CD2 4.32Å; V561-F720 HydrophobicContact CG1-CB 3.33Å; V561-F720 HydrophobicContact CG1-CD2 3.72Å; V561-F720 HydrophobicContact CG1-CG 3.71Å; V561-F720 HydrophobicContact CG2-CD2 3.84Å; V561-F720 HydrophobicContact CG2-CE2 4.29Å; F563-F720 HydrophobicContact CE1-CB 3.88Å; F563-F720 AromaticContact CE1-CD1 3.76Å; F563-F720 HydrophobicContact CE1-CD1 3.76Å; F563-F720 HydrophobicContact CE1-CG 4.18Å; F563-F720 HydrophobicContact CZ-CB 4.01Å; F563-F720 AromaticContact CZ-CD1 3.59Å; F563-F720 HydrophobicContact CZ-CD1 3.59Å; F563-F720 HydrophobicContact CZ-CE1 4.3Å; F563-F720 AromaticContact CZ-CG 3.97Å; F563-F720 HydrophobicContact CZ-CG 3.97Å; F572-F720 HydrophobicContact CE1-CE2 4.24Å; F572-F720 HydrophobicContact CZ-CE2 4.38Å; L716-F720 WeakPolarHBondContact O-CE2 3.45Å; L717-F720 PolarHBondContact O-N 3.09Å; G718-F720 PolarHBondContact O-N 3.29Å; F720-H722 PolarHBondContact O-N 3.16Å; F720-E723 PolarHBondContact O-N 3.03Å; F720-L783 HydrophobicContact CE1-CD1 4.12Å; F720-L783 HydrophobicContact CE1-CG 4.25Å; F720-L783 WeakPolarHBondContact CE1-O 3.31Å; F720-L783 HydrophobicContact CZ-CD1 4.34Å; F720-L783 HydrophobicContact CZ-CG 3.98Å; F720-I784 HydrophobicContact CE2-CG2 4.3Å; F720-I784 HydrophobicContact CZ-CG2 3.96Å
721L83.6Confident79.4Confident9 Ų953.3 Ų53.35%0.04730%0.295CS..THydrogen-bonded Turntrans-63.6-28.3-170.7-68.9174000113.5T551 I703 L709 G718T551-L721 HydrophobicContact CG2-CD2 4.47Å; I703-L721 HydrophobicContact CD1-CD1 4.26Å; I703-L721 HydrophobicContact CD1-CD2 4.15Å; L709-L721 HydrophobicContact CD1-CD1 3.56Å; G718-L721 PolarHBondContact O-N 3.44Å
722H81.8Confident77.5Confident82 Ų8252.9 Ų52.938%0.3830%0.301SS..THydrogen-bonded Turntrans-121.217.9-176.9-62.2-81000112.7L709 S710 F720L709-H722 PolarHBondContact O-NE2 2.89Å; L709-H722 VanDerWaalsContact O-NE2 3.09Å; S710-H722 PolarHBondContact O-CD2 3.3Å; S710-H722 VanDerWaalsContact O-CD2 3.3Å; S710-H722 PolarHBondContact O-NE2 2.86Å; F720-H722 PolarHBondContact O-N 3.16Å
723E80.5Confident75.5Confident56 Ų5652.4 Ų52.426%0.26231%0.311SS..  trans-99.8152.4-178.2-68.9-71.6160.400112F563 Q719 F720 K751F563-E723 HydrophobicContact CD1-CB 4.4Å; F563-E723 HydrophobicContact CE1-CB 4.21Å; Q719-E723 WeakPolarHBondContact O-CG 3.27Å; F720-E723 PolarHBondContact O-N 3.03Å; E723-K751 WeakPolarHBondContact OE1-CE 3.4Å; E723-K751 IonicContact OE1-NZ 2.73Å; E723-K751 PolarHBondContact OE1-NZ 2.77Å; E723-K751 VanDerWaalsContact OE2-CE 3.25Å; E723-K751 WeakPolarHBondContact OE2-CE 3.43Å
724E75Confident73.3Confident133 Ų13357.4 Ų57.462%0.62134%0.343SS*.  trans-107.9140.4171.6-70.2-169.6173.700110.9L565L565-E724 HydrophobicContact CB-CG 3.66Å; L565-E724 HydrophobicContact CD1-CG 3.57Å; L565-E724 HydrophobicContact CG-CG 4.26Å
725V77.2Confident71Confident9 Ų958.6 Ų58.66%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-133140.4179.8-65.30000111.5F563 S566 L568 L748 K749 V750F563-V725 HydrophobicContact CB-CG2 3.83Å; F563-V725 HydrophobicContact CD1-CB 4.22Å; F563-V725 HydrophobicContact CD1-CG1 3.59Å; F563-V725 HydrophobicContact CD1-CG2 3.59Å; F563-V725 HydrophobicContact CD2-CG2 3.66Å; F563-V725 HydrophobicContact CE1-CB 4.31Å; F563-V725 HydrophobicContact CE1-CG1 3.29Å; F563-V725 HydrophobicContact CE1-CG2 4.02Å; F563-V725 HydrophobicContact CE2-CG1 4.38Å; F563-V725 HydrophobicContact CE2-CG2 4.1Å; F563-V725 HydrophobicContact CG-CB 4.46Å; F563-V725 HydrophobicContact CG-CG1 4.25Å; F563-V725 HydrophobicContact CG-CG2 3.38Å; F563-V725 HydrophobicContact CZ-CG1 3.73Å; F563-V725 HydrophobicContact CZ-CG2 4.26Å; S566-V725 VanDerWaalsContact CB-O 3.26Å; S566-V725 WeakPolarHBondContact CB-O 3.32Å; S566-V725 PolarHBondContact OG-N 3.38Å; S566-V725 PolarHBondContact OG-O 2.74Å; L568-V725 HydrophobicContact CB-CG2 4.11Å; L568-V725 HydrophobicContact CD1-CG2 3.93Å; L568-V725 WeakPolarHBondContact CD1-O 3.4Å; V725-L748 HydrophobicContact CB-CD1 4.12Å; V725-L748 HydrophobicContact CB-CG 4.41Å; V725-L748 HydrophobicContact CG2-CD1 4.28Å; V725-K749 WeakPolarHBondContact CA-O 3.42Å; V725-V750 HydrophobicContact CB-CG2 4.44Å; V725-V750 HydrophobicContact CG1-CB 4.11Å; V725-V750 HydrophobicContact CG1-CG1 3.94Å; V725-V750 HydrophobicContact CG1-CG2 3.63Å
726G72.6Confident68.9Low36 Ų3665 Ų6537%0.37141%0.407SS..EExtended strand (participates in β ladder)trans-117146.1176.400000111.3K749G726-K749 PolarHBondContact N-O 2.81Å; G726-K749 PolarHBondContact O-N 3.01Å
727V71.7Confident66.3Low56 Ų5668.3 Ų68.334%0.33944%0.441SS..EExtended strand (participates in β ladder)trans-99.2124.1171.4-177.90000108.5L568 A746 L748 W774L568-V727 HydrophobicContact CD1-CG2 3.86Å; L568-V727 HydrophobicContact CD2-CG2 4.21Å; V727-A746 HydrophobicContact CG1-CB 3.79Å; V727-L748 HydrophobicContact CG2-CD1 3.92Å; V727-W774 HydrophobicContact CG1-CZ2 4.33Å
728A71.8Confident64Low45 Ų4576.9 Ų76.937%0.37249%0.487SS..EExtended strand (participates in β ladder)trans-103.5130.8172.600000110F747A728-F747 PolarHBondContact N-O 3.13Å; A728-F747 PolarHBondContact O-N 3.25Å; A728-F747 VanDerWaalsContact O-N 3.16Å
729P58.1Low61.5Low112 Ų11281.2 Ų81.273%0.72752%0.523SS*.PPolyproline II helixtrans-67.5157172.326.5-30.5000111.2
730L57.8Low59.1Low90 Ų9084.8 Ų84.847%0.47156%0.562SS.*PPolyproline II helixtrans-57.2136.1176.8-78.3116.3000111A732 P744 T745L730-A732 PolarHBondContact O-N 3Å; L730-P744 WeakPolarHBondContact CD1-O 3.36Å; L730-T745 VanDerWaalsContact CD1-O 3.3Å; L730-T745 WeakPolarHBondContact CD1-O 3.38Å
731P50.6Low56.9Low111 Ų11191.4 Ų91.472%0.72160%0.597SS**PPolyproline II helixtrans-59.9127.1161.6-15.428.3000109L733P731-L733 PolarHBondContact O-N 2.85Å
732A43.7Very low55.3Low100 Ų10096.2 Ų96.283%0.82662%0.623SS**PPolyproline II helixtrans-68.4117.2179.900000111L730L730-A732 PolarHBondContact O-N 3Å
733L45.8Very low54.1Low170 Ų17099.1 Ų99.189%0.8964%0.641SS**  trans-155.6160.7161.2-93.4170.7000109.6P731P731-L733 PolarHBondContact O-N 2.85Å
734P43.4Very low52.9Low112 Ų11298.4 Ų98.473%0.72764%0.641SS**  trans-96.1158.8-130.637.5-36.7000115.9
735A42.3Very low52.3Low97 Ų9795.7 Ų95.780%0.80263%0.633SS**  trans25.2147.3158.600000122.4
736P45.7Very low52.4Low134 Ų13495.4 Ų95.487%0.8763%0.632SS**  trans-85138.6-154.234.3-32.7000114.1
737G36.8Very low52.8Low70 Ų7096.9 Ų96.972%0.72263%0.629SS**  trans-111.2136.5159.800000109.9A739G737-A739 PolarHBondContact O-N 2.83Å; G737-A739 VanDerWaalsContact O-N 3.1Å
738D41.9Very low53.4Low181 Ų18194.2 Ų94.297%0.96861%0.612SS**  trans-51.3106.7-178-90.5-36.4000113.2
739A35Very low53.8Low91 Ų9198.1 Ų98.175%0.75262%0.621SS**  trans-149114.4157.800000108.7G737G737-A739 PolarHBondContact O-N 2.83Å; G737-A739 VanDerWaalsContact O-N 3.1Å
740G38Very low54.9Low83 Ų8392.8 Ų92.886%0.85659%0.587SS**  trans-59136.6178.700000113.1
741D41.2Very low55.9Low143 Ų14392.7 Ų92.777%0.76558%0.582SS**SBendtrans71.681167.4-78.6-16.6000120.9
742L50.3Low57Low110 Ų11096.6 Ų96.658%0.57659%0.591SS**  trans83.386.9141.4-61.7160.4000116.7R777L742-R777 VanDerWaalsContact CB-NH2 3.31Å; L742-R777 VanDerWaalsContact CD1-NH2 3.34Å
743N55.9Low58.8Low143 Ų14394.6 Ų94.677%0.76556%0.562SS**  trans-50.8142.9156-75.7-24.2000111T745N743-T745 PolarHBondContact O-N 2.79Å
744P56.4Low60.5Low40 Ų4089.8 Ų89.826%0.2654%0.543SS..  trans-58.7133.3175.825-32.5000109.8L730 F747 P756L730-P744 WeakPolarHBondContact CD1-O 3.36Å; P744-F747 HydrophobicContact CG-CE2 4.44Å; P744-F747 HydrophobicContact CG-CZ 4.25Å; P744-P756 HydrophobicContact CB-CB 3.83Å; P744-P756 HydrophobicContact CG-CB 4.39Å
745T62.6Low62.5Low76 Ų7684.6 Ų84.647%0.46651%0.509SS..SBendtrans-82.3-19.118050.70000112.7L730 N743 V757 V758L730-T745 VanDerWaalsContact CD1-O 3.3Å; L730-T745 WeakPolarHBondContact CD1-O 3.38Å; N743-T745 PolarHBondContact O-N 2.79Å; T745-V757 PolarHBondContact N-O 2.95Å; T745-V757 PolarHBondContact OG1-O 2.98Å; T745-V758 WeakPolarHBondContact OG1-CA 3.34Å
746A78.1Confident64.4Low4 Ų483 Ų833%0.03349%0.49CS..EExtended strand (participates in β ladder)trans-163.5167.217600000110.7V727 V757 W774V727-A746 HydrophobicContact CG1-CB 3.79Å; A746-V757 HydrophobicContact CB-CG2 4.19Å; A746-V757 PolarHBondContact N-O 2.9Å; A746-V757 WeakPolarHBondContact O-CG2 3.35Å; A746-V757 PolarHBondContact O-N 2.94Å; A746-W774 HydrophobicContact CB-CH2 4.16Å; A746-W774 HydrophobicContact CB-CZ3 3.99Å
747F81.9Confident66.3Low67 Ų6776.7 Ų76.729%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-109.6130.4166.8-73.3-90000110.1A728 P744 V755 P756A728-F747 PolarHBondContact N-O 3.13Å; A728-F747 PolarHBondContact O-N 3.25Å; A728-F747 VanDerWaalsContact O-N 3.16Å; P744-F747 HydrophobicContact CG-CE2 4.44Å; P744-F747 HydrophobicContact CG-CZ 4.25Å; F747-V755 CarbonylContact C-O 3.58Å; F747-V755 WeakPolarHBondContact CA-O 3.22Å; F747-P756 HydrophobicContact CD1-CB 4.36Å; F747-P756 HydrophobicContact CE1-CB 3.99Å
748L83.6Confident68.6Low0 Ų073.9 Ų73.90%042%0.418CS..EExtended strand (participates in β ladder)trans-89.5123.1170-170.776.4000108.5V570 V725 V727 V750 V755 V757 L783V570-L748 HydrophobicContact CG1-CD2 4.3Å; V570-L748 HydrophobicContact CG2-CD2 3.57Å; V725-L748 HydrophobicContact CB-CD1 4.12Å; V725-L748 HydrophobicContact CB-CG 4.41Å; V725-L748 HydrophobicContact CG2-CD1 4.28Å; V727-L748 HydrophobicContact CG2-CD1 3.92Å; L748-V750 HydrophobicContact CD2-CG2 3.5Å; L748-V750 HydrophobicContact CG-CG2 3.72Å; L748-V755 HydrophobicContact CB-CB 4.4Å; L748-V755 PolarHBondContact N-O 2.78Å; L748-V755 PolarHBondContact O-N 2.6Å; L748-V757 HydrophobicContact CB-CG1 3.93Å; L748-V757 HydrophobicContact CB-CG2 4.22Å; L748-L783 HydrophobicContact CD2-CD1 4.1Å
749K81.3Confident70.5Confident126 Ų12673.5 Ų73.555%0.54840%0.403SS..EExtended strand (participates in β ladder)trans-91.4113.6173.3-165179.7-174.1-174.50108.7V725 G726 R753V725-K749 WeakPolarHBondContact CA-O 3.42Å; G726-K749 PolarHBondContact N-O 2.81Å; G726-K749 PolarHBondContact O-N 3.01Å; K749-R753 WeakPolarHBondContact CA-O 3.49Å
750V80.3Confident72.8Confident1 Ų173.3 Ų73.31%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-123.6112.3179.3-172.60000107.6V725 L748 E752 R753 V755 L783V725-V750 HydrophobicContact CB-CG2 4.44Å; V725-V750 HydrophobicContact CG1-CB 4.11Å; V725-V750 HydrophobicContact CG1-CG1 3.94Å; V725-V750 HydrophobicContact CG1-CG2 3.63Å; L748-V750 HydrophobicContact CD2-CG2 3.5Å; L748-V750 HydrophobicContact CG-CG2 3.72Å; V750-E752 PolarHBondContact O-N 2.79Å; V750-R753 PolarHBondContact N-O 2.83Å; V750-R753 WeakPolarHBondContact O-CB 3.18Å; V750-R753 PolarHBondContact O-N 2.82Å; V750-V755 HydrophobicContact CG2-CG2 4.49Å; V750-L783 HydrophobicContact CG2-CD1 3.88Å
751K78.4Confident74.9Confident88 Ų8872.4 Ų72.438%0.38337%0.366SS..THydrogen-bonded Turntrans54.7-125.1-167.8-54.1177.7-179.8178.30110.1E723 D785E723-K751 WeakPolarHBondContact OE1-CE 3.4Å; E723-K751 IonicContact OE1-NZ 2.73Å; E723-K751 PolarHBondContact OE1-NZ 2.77Å; E723-K751 VanDerWaalsContact OE2-CE 3.25Å; E723-K751 WeakPolarHBondContact OE2-CE 3.43Å; K751-D785 IonicContact NZ-OD1 3.71Å; K751-D785 IonicContact NZ-OD2 3.58Å; K751-D785 PolarHBondContact NZ-OD2 3.25Å
752E74.3Confident76.7Confident192 Ų19267.7 Ų67.790%0.89734%0.337SS*.THydrogen-bonded Turntrans-90.54.2175.5-60.8-172.1163.400113.8V750V750-E752 PolarHBondContact O-N 2.79Å
753R81.6Confident78Confident59 Ų5972.2 Ų72.222%0.22335%0.347CS..EExtended strand (participates in β ladder)trans-102.8143.6-172.9-59.2170.9-64.3-160.5-6.4111.8K749 V750 K782 I784 D785K749-R753 WeakPolarHBondContact CA-O 3.49Å; V750-R753 PolarHBondContact N-O 2.83Å; V750-R753 WeakPolarHBondContact O-CB 3.18Å; V750-R753 PolarHBondContact O-N 2.82Å; R753-K782 WeakPolarHBondContact CD-O 3.25Å; R753-K782 PolarHBondContact NE-O 2.8Å; R753-I784 PolarHBondContact NH1-O 2.93Å; R753-D785 IonicContact CZ-OD1 2.88Å; R753-D785 IonicContact NH1-OD1 3.78Å; R753-D785 PolarHBondContact NH1-OD1 2.82Å; R753-D785 IonicContact NH2-OD1 3.67Å; R753-D785 PolarHBondContact NH2-OD1 2.84Å
754S82.4Confident78.9Confident69 Ų6965.9 Ų65.948%0.48331%0.313SS..EExtended strand (participates in β ladder)trans-108.1120171.3-60.40000110.4
755V83.8Confident79.6Confident3 Ų366 Ų662%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-111122.7-176.2-1740000109.6F747 L748 V750 V757 A776 K782 L783F747-V755 CarbonylContact C-O 3.58Å; F747-V755 WeakPolarHBondContact CA-O 3.22Å; L748-V755 HydrophobicContact CB-CB 4.4Å; L748-V755 PolarHBondContact N-O 2.78Å; L748-V755 PolarHBondContact O-N 2.6Å; V750-V755 HydrophobicContact CG2-CG2 4.49Å; V755-V757 HydrophobicContact CG1-CG1 4.28Å; V755-V757 PolarHBondContact O-N 3.06Å; V755-A776 HydrophobicContact CG1-CB 4.05Å; V755-K782 HydrophobicContact CG2-CB 4.12Å; V755-K782 VanDerWaalsContact CG2-O 3.31Å; V755-K782 WeakPolarHBondContact CG2-O 3.38Å; V755-L783 HydrophobicContact CG1-CB 4.19Å; V755-L783 HydrophobicContact CG2-CB 4.17Å
756P83.5Confident79.6Confident63 Ų6364.9 Ų64.941%0.40931%0.311SS..EExtended strand (participates in β ladder)trans-69.1127.4174.627.7-32.1000110.4P744 F747P744-P756 HydrophobicContact CB-CB 3.83Å; P744-P756 HydrophobicContact CG-CB 4.39Å; F747-P756 HydrophobicContact CD1-CB 4.36Å; F747-P756 HydrophobicContact CE1-CB 3.99Å
757V84.4Confident79.1Confident1 Ų166.6 Ų66.61%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-130.3151.3-177-66.40000112.8T745 A746 L748 V755 W774 F775 A776T745-V757 PolarHBondContact N-O 2.95Å; T745-V757 PolarHBondContact OG1-O 2.98Å; A746-V757 HydrophobicContact CB-CG2 4.19Å; A746-V757 PolarHBondContact N-O 2.9Å; A746-V757 WeakPolarHBondContact O-CG2 3.35Å; A746-V757 PolarHBondContact O-N 2.94Å; L748-V757 HydrophobicContact CB-CG1 3.93Å; L748-V757 HydrophobicContact CB-CG2 4.22Å; V755-V757 HydrophobicContact CG1-CG1 4.28Å; V755-V757 PolarHBondContact O-N 3.06Å; V757-W774 HydrophobicContact CB-CB 4.07Å; V757-W774 HydrophobicContact CB-CE3 4.25Å; V757-W774 HydrophobicContact CG1-CB 4.34Å; V757-W774 HydrophobicContact CG2-CB 4.17Å; V757-W774 HydrophobicContact CG2-CD2 4.14Å; V757-W774 HydrophobicContact CG2-CE3 3.67Å; V757-W774 HydrophobicContact CG2-CG 4.37Å; V757-W774 HydrophobicContact CG2-CZ3 4.4Å; V757-F775 WeakPolarHBondContact CA-O 3.38Å; V757-A776 HydrophobicContact CG1-CB 4.45Å
758V85.1Confident78.5Confident12 Ų1271.6 Ų71.67%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-125.9142.6173.7-64.60000111T745 K760 F775T745-V758 WeakPolarHBondContact OG1-CA 3.34Å; V758-K760 PolarHBondContact O-N 2.82Å; V758-F775 HydrophobicContact CG2-CB 4.05Å; V758-F775 HydrophobicContact CG2-CD1 3.98Å; V758-F775 PolarHBondContact N-O 2.82Å; V758-F775 VanDerWaalsContact N-O 3.09Å; V758-F775 WeakPolarHBondContact O-CA 3.26Å; V758-F775 VanDerWaalsContact O-CB 3.32Å; V758-F775 WeakPolarHBondContact O-CB 3.34Å; V758-F775 PolarHBondContact O-N 2.91Å
759R82.2Confident78.2Confident173 Ų17376.3 Ų76.365%0.65337%0.373SS*.EExtended strand (participates in β ladder)trans-71.9130.1179.3-161.8168.7-177.5171.9-0.7110.8W774R759-W774 HydrophobicContact CB-CE3 4.42Å; R759-W774 HydrophobicContact CB-CZ3 4.19Å
760K82.8Confident78.1Confident87 Ų8774.2 Ų74.238%0.37837%0.374SS..EExtended strand (participates in β ladder)trans-139.9159.6174-72.7-165.6175.9-178.50110.7V758 C773 F775V758-K760 PolarHBondContact O-N 2.82Å; K760-C773 PolarHBondContact N-O 3.2Å; K760-C773 PolarHBondContact O-N 2.93Å; K760-C773 VanDerWaalsContact O-O 3.07Å; K760-F775 HydrophobicContact CB-CB 4.12Å; K760-F775 HydrophobicContact CD-CB 3.88Å; K760-F775 HydrophobicContact CD-CD1 3.89Å; K760-F775 HydrophobicContact CD-CD2 4.35Å; K760-F775 HydrophobicContact CD-CG 3.77Å; K760-F775 HydrophobicContact CG-CB 3.92Å; K760-F775 HydrophobicContact CG-CG 4.38Å
761S82Confident78.2Confident64 Ų6474.8 Ų74.845%0.44838%0.378SS..EExtended strand (participates in β ladder)trans-108.3138.6168.4-154.40000109.8S770 V771 D772S761-S770 PolarHBondContact OG-OG 3.34Å; S761-S770 VanDerWaalsContact OG-OG 3.13Å; S761-V771 CarbonylContact C-O 3.52Å; S761-V771 WeakPolarHBondContact CA-O 3.08Å; S761-D772 WeakPolarHBondContact CB-OD1 3.47Å; S761-D772 PolarHBondContact OG-OD1 2.97Å
762R79.4Confident78.6Confident44 Ų4475 Ų7517%0.16638%0.383CS..EExtended strand (participates in β ladder)trans-127.9138.1-178.2-70.9-62.6-165.8152.814.3110.7H558 C571 N573 S770 V771 C773H558-R762 PolarHBondContact CD2-NH1 2.91Å; H558-R762 PolarHBondContact CE1-NH1 2.92Å; H558-R762 PolarHBondContact ND1-NH1 3.05Å; H558-R762 PolarHBondContact ND1-NH2 2.93Å; H558-R762 PolarHBondContact NE2-NH1 2.97Å; C571-R762 HydrophobicContact CB-CG 4.29Å; N573-R762 PolarHBondContact OD1-NH2 3.05Å; R762-S770 CarbonylContact O-C 3.56Å; R762-S770 WeakPolarHBondContact O-CA 3.44Å; R762-V771 PolarHBondContact N-O 2.65Å; R762-V771 PolarHBondContact O-N 3.37Å; R762-C773 VanDerWaalsContact CG-SG 3.58Å
763R77.3Confident79.1Confident204 Ų20466 Ų6677%0.7734%0.342SS*.EExtended strand (participates in β ladder)trans-88.4128.4172.4-68-172.7-179177.9-0.3110Q769R763-Q769 CarbonylContact C-O 3.55Å; R763-Q769 VanDerWaalsContact CA-O 3.28Å; R763-Q769 WeakPolarHBondContact CA-O 3.29Å
764I75.3Confident79.4Confident10 Ų1065.8 Ų65.85%0.05134%0.341CS..EExtended strand (participates in β ladder)trans-120.9172.6176.867.6171.9000110.6V560 Y702 G766 G767 K768 Q769 V771V560-I764 HydrophobicContact CG2-CG2 3.92Å; Y702-I764 HydrophobicContact CE1-CB 4.41Å; I764-G766 PolarHBondContact O-N 2.89Å; I764-G767 PolarHBondContact O-N 2.88Å; I764-G767 VanDerWaalsContact O-N 3.08Å; I764-K768 PolarHBondContact O-N 2.82Å; I764-Q769 HydrophobicContact CD1-CB 4.43Å; I764-Q769 HydrophobicContact CG1-CB 3.79Å; I764-Q769 PolarHBondContact N-O 3.46Å; I764-Q769 PolarHBondContact O-N 2.77Å; I764-V771 HydrophobicContact CD1-CG2 3.56Å; I764-V771 HydrophobicContact CG1-CG2 3.97Å
765Y70.9Confident79.6Confident44 Ų4463.2 Ų63.217%0.17332%0.321CS..G310 helixtrans56.750.8175.8-151.3-98.6000113I548 N670 L684 Y702 G767 K768I548-Y765 HydrophobicContact CD1-CE2 3.81Å; N670-Y765 PolarHBondContact ND2-OH 2.96Å; L684-Y765 HydrophobicContact CD1-CD2 3.34Å; L684-Y765 HydrophobicContact CD1-CE2 3.59Å; L684-Y765 HydrophobicContact CD1-CG 3.85Å; L684-Y765 HydrophobicContact CD2-CE2 4.32Å; L684-Y765 HydrophobicContact CG-CD2 4.4Å; L684-Y765 HydrophobicContact CG-CE2 4.2Å; Y702-Y765 HydrophobicContact CD1-CD2 4.43Å; Y702-Y765 HydrophobicContact CE1-CD2 4.19Å; Y702-Y765 WeakPolarHBondContact OH-CA 3.43Å; Y702-Y765 PolarHBondContact OH-N 3.02Å; Y765-G767 PolarHBondContact O-N 2.78Å; Y765-K768 HydrophobicContact CD1-CB 4.42Å; Y765-K768 HydrophobicContact CD1-CD 4.06Å; Y765-K768 HydrophobicContact CE1-CD 4.48Å; Y765-K768 WeakPolarHBondContact O-CB 3.48Å; Y765-K768 WeakPolarHBondContact O-CG 3.37Å; Y765-K768 PolarHBondContact O-N 3.42Å
766G63.5Low79.7Confident51 Ų5163.1 Ų63.153%0.52632%0.321SS..G310 helixtrans6522.9-176.500000114.5I764I764-G766 PolarHBondContact O-N 2.89Å
767G66.3Low79.5Confident41 Ų4164.8 Ų64.842%0.42332%0.319SS..G310 helixtrans92.52.2178.900000115.1I764 Y765I764-G767 PolarHBondContact O-N 2.88Å; I764-G767 VanDerWaalsContact O-N 3.08Å; Y765-G767 PolarHBondContact O-N 2.78Å
768K70.5Confident79.3Confident171 Ų17170.5 Ų70.574%0.74335%0.349SS*.THydrogen-bonded Turntrans-77.7-20.4-176.6-66.2-178.4179.2177.20113.8I764 Y765I764-K768 PolarHBondContact O-N 2.82Å; Y765-K768 HydrophobicContact CD1-CB 4.42Å; Y765-K768 HydrophobicContact CD1-CD 4.06Å; Y765-K768 HydrophobicContact CE1-CD 4.48Å; Y765-K768 WeakPolarHBondContact O-CB 3.48Å; Y765-K768 WeakPolarHBondContact O-CG 3.37Å; Y765-K768 PolarHBondContact O-N 3.42Å
769Q77.2Confident79Confident100 Ų10072 Ų7247%0.46736%0.357SS..EExtended strand (participates in β ladder)trans-130.2143.3-179.6-64.8178.6-1.500110.5R763 I764R763-Q769 CarbonylContact C-O 3.55Å; R763-Q769 VanDerWaalsContact CA-O 3.28Å; R763-Q769 WeakPolarHBondContact CA-O 3.29Å; I764-Q769 HydrophobicContact CD1-CB 4.43Å; I764-Q769 HydrophobicContact CG1-CB 3.79Å; I764-Q769 PolarHBondContact N-O 3.46Å; I764-Q769 PolarHBondContact O-N 2.77Å
770S78.9Confident79Confident81 Ų8163.7 Ų63.757%0.56633%0.326SS*.EExtended strand (participates in β ladder)trans-111.9131.3172.5-156.60000109.3S761 R762S761-S770 PolarHBondContact OG-OG 3.34Å; S761-S770 VanDerWaalsContact OG-OG 3.13Å; R762-S770 CarbonylContact O-C 3.56Å; R762-S770 WeakPolarHBondContact O-CA 3.44Å
771V83.1Confident78.9Confident13 Ų1365 Ų658%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-125.9124-177.21800000109.2K550 T569 S761 R762 I764K550-V771 HydrophobicContact CD-CG1 4.16Å; K550-V771 HydrophobicContact CD-CG2 4.22Å; T569-V771 HydrophobicContact CG2-CG1 3.74Å; S761-V771 CarbonylContact C-O 3.52Å; S761-V771 WeakPolarHBondContact CA-O 3.08Å; R762-V771 PolarHBondContact N-O 2.65Å; R762-V771 PolarHBondContact O-N 3.37Å; I764-V771 HydrophobicContact CD1-CG2 3.56Å; I764-V771 HydrophobicContact CG1-CG2 3.97Å
772D85.3Confident78.9Confident92 Ų9267.7 Ų67.749%0.49234%0.337SS..EExtended strand (participates in β ladder)trans-80.4128.9170.9-69-19.3000109.8S761S761-D772 WeakPolarHBondContact CB-OD1 3.47Å; S761-D772 PolarHBondContact OG-OD1 2.97Å
773C86.4Confident79.2Confident4 Ų465.7 Ų65.73%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-140.8153.6-173.657.20000112.3T569 C571 K760 R762 F775T569-C773 HydrophobicContact CG2-CB 4.03Å; T569-C773 WeakPolarHBondContact O-CA 3.5Å; C571-C773 HydrophobicContact CB-CB 3.66Å; C571-C773 WeakPolarHBondContact CB-SG 3.46Å; C571-C773 WeakPolarHBondContact SG-CB 3.35Å; C571-C773 CovalentContact SG-SG 2.03Å; C571-C773 PolarHBondContact SG-SG 3.32Å; K760-C773 PolarHBondContact N-O 3.2Å; K760-C773 PolarHBondContact O-N 2.93Å; K760-C773 VanDerWaalsContact O-O 3.07Å; R762-C773 VanDerWaalsContact CG-SG 3.58Å; C773-F775 PolarHBondContact O-N 2.8Å
774W87.1Confident79.7Confident54 Ų5456 Ų5621%0.20529%0.293CS..EExtended strand (participates in β ladder)trans-78.9113.7166.3-67.5107.9000109T569 V570 C571 V727 A746 V757 R759T569-W774 PolarHBondContact O-N 3.1Å; V570-W774 CarbonylContact C-O 3.54Å; V570-W774 VanDerWaalsContact CA-O 3.31Å; V570-W774 WeakPolarHBondContact CA-O 3.31Å; V570-W774 WeakPolarHBondContact CG1-O 3.32Å; V570-W774 HydrophobicContact CG2-CB 4.45Å; C571-W774 PolarHBondContact N-O 2.91Å; V727-W774 HydrophobicContact CG1-CZ2 4.33Å; A746-W774 HydrophobicContact CB-CH2 4.16Å; A746-W774 HydrophobicContact CB-CZ3 3.99Å; V757-W774 HydrophobicContact CB-CB 4.07Å; V757-W774 HydrophobicContact CB-CE3 4.25Å; V757-W774 HydrophobicContact CG1-CB 4.34Å; V757-W774 HydrophobicContact CG2-CB 4.17Å; V757-W774 HydrophobicContact CG2-CD2 4.14Å; V757-W774 HydrophobicContact CG2-CE3 3.67Å; V757-W774 HydrophobicContact CG2-CG 4.37Å; V757-W774 HydrophobicContact CG2-CZ3 4.4Å; R759-W774 HydrophobicContact CB-CE3 4.42Å; R759-W774 HydrophobicContact CB-CZ3 4.19Å
775F86.6Confident80.1Confident15 Ų1557.7 Ų57.77%0.06630%0.302CS..EExtended strand (participates in β ladder)trans-89.2118.1-176.6-177.6-108.2000111.8C571 V757 V758 K760 C773 R777C571-F775 CarbonylContact O-C 3.58Å; C571-F775 VanDerWaalsContact O-CA 3.22Å; C571-F775 WeakPolarHBondContact O-CA 3.31Å; C571-F775 WeakPolarHBondContact O-CD2 3.44Å; V757-F775 WeakPolarHBondContact CA-O 3.38Å; V758-F775 HydrophobicContact CG2-CB 4.05Å; V758-F775 HydrophobicContact CG2-CD1 3.98Å; V758-F775 PolarHBondContact N-O 2.82Å; V758-F775 VanDerWaalsContact N-O 3.09Å; V758-F775 WeakPolarHBondContact O-CA 3.26Å; V758-F775 VanDerWaalsContact O-CB 3.32Å; V758-F775 WeakPolarHBondContact O-CB 3.34Å; V758-F775 PolarHBondContact O-N 2.91Å; K760-F775 HydrophobicContact CB-CB 4.12Å; K760-F775 HydrophobicContact CD-CB 3.88Å; K760-F775 HydrophobicContact CD-CD1 3.89Å; K760-F775 HydrophobicContact CD-CD2 4.35Å; K760-F775 HydrophobicContact CD-CG 3.77Å; K760-F775 HydrophobicContact CG-CB 3.92Å; K760-F775 HydrophobicContact CG-CG 4.38Å; C773-F775 PolarHBondContact O-N 2.8Å; F775-R777 HydrophobicContact CD1-CG 4.11Å; F775-R777 HydrophobicContact CE1-CG 3.87Å
776A85.6Confident80.8Confident2 Ų257.5 Ų57.52%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-90.2132170.200000110.6C571 F572 V755 V757 L783C571-A776 PolarHBondContact O-N 2.83Å; F572-A776 HydrophobicContact CB-CB 4.34Å; V755-A776 HydrophobicContact CG1-CB 4.05Å; V757-A776 HydrophobicContact CG1-CB 4.45Å; A776-L783 HydrophobicContact CB-CB 4.5Å; A776-L783 HydrophobicContact CB-CD2 3.73Å
777R80.5Confident82Confident97 Ų9763.6 Ų63.637%0.36632%0.32SS..  trans-86.2-178.1180-64.8-175.1-178.8-173.90.2111.3L742 F775 N779 A780L742-R777 VanDerWaalsContact CB-NH2 3.31Å; L742-R777 VanDerWaalsContact CD1-NH2 3.34Å; F775-R777 HydrophobicContact CD1-CG 4.11Å; F775-R777 HydrophobicContact CE1-CG 3.87Å; R777-N779 PolarHBondContact O-N 3.28Å; R777-A780 PolarHBondContact O-N 2.85Å
778N79.8Confident82.9Confident121 Ų12163.4 Ų63.465%0.64731%0.307SS*.G310 helixtrans52.255.9168.8-57.9-7000114.9A780 E781N778-A780 PolarHBondContact O-N 2.76Å; N778-A780 VanDerWaalsContact O-N 3.11Å; N778-E781 HydrophobicContact CB-CB 4.22Å; N778-E781 WeakPolarHBondContact O-CB 3.43Å; N778-E781 PolarHBondContact O-N 2.73Å
779N79.4Confident83.8Confident43 Ų4359.8 Ų59.823%0.2329%0.293CS..G310 helixtrans53.635.1178.5-69.2-15.2000114.1N573 I574 N575 R777 E781N573-N779 VanDerWaalsContact O-CA 3.32Å; N573-N779 WeakPolarHBondContact O-CA 3.49Å; I574-N779 HydrophobicContact CD1-CB 4.29Å; I574-N779 WeakPolarHBondContact CD1-O 3.37Å; N575-N779 PolarHBondContact N-OD1 3.23Å; N575-N779 PolarHBondContact ND2-OD1 3.38Å; R777-N779 PolarHBondContact O-N 3.28Å; N779-E781 PolarHBondContact O-N 2.99Å
780A81.4Confident84.3Confident0 Ų060.2 Ų60.20%030%0.299CS..G310 helixtrans60.929.6-178.500000114.1F572 I574 R777 N778 K782 L783 I784F572-A780 HydrophobicContact CB-CB 3.9Å; F572-A780 HydrophobicContact CD1-CB 4.38Å; F572-A780 HydrophobicContact CD2-CB 3.5Å; F572-A780 HydrophobicContact CE2-CB 4.04Å; F572-A780 HydrophobicContact CG-CB 3.69Å; I574-A780 HydrophobicContact CD1-CB 4.39Å; R777-A780 PolarHBondContact O-N 2.85Å; N778-A780 PolarHBondContact O-N 2.76Å; N778-A780 VanDerWaalsContact O-N 3.11Å; A780-K782 PolarHBondContact O-N 2.8Å; A780-L783 HydrophobicContact CB-CB 4.1Å; A780-L783 HydrophobicContact CB-CD2 4.11Å; A780-L783 HydrophobicContact CB-CG 4.49Å; A780-L783 WeakPolarHBondContact O-CA 3.38Å; A780-L783 WeakPolarHBondContact O-CB 3.34Å; A780-L783 PolarHBondContact O-N 2.86Å; A780-I784 HydrophobicContact CB-CG1 4.48Å; A780-I784 HydrophobicContact CB-CG2 3.89Å; A780-I784 PolarHBondContact O-N 3.28Å; A780-I784 VanDerWaalsContact O-N 3.12Å
781E80.1Confident84.8Confident113 Ų11356.8 Ų56.853%0.52827%0.273SS..THydrogen-bonded Turntrans-52132.3174.6-166.5-175.4-174.400111N778 N779 L783N778-E781 HydrophobicContact CB-CB 4.22Å; N778-E781 WeakPolarHBondContact O-CB 3.43Å; N778-E781 PolarHBondContact O-N 2.73Å; N779-E781 PolarHBondContact O-N 2.99Å; E781-L783 PolarHBondContact O-N 3.49Å
782K81.7Confident85.2Confident122 Ų12258.6 Ų58.653%0.5328%0.284SS..THydrogen-bonded Turntrans65.4-9.3-173.2-52.3180-178.6178.60116R753 V755 A780R753-K782 WeakPolarHBondContact CD-O 3.25Å; R753-K782 PolarHBondContact NE-O 2.8Å; V755-K782 HydrophobicContact CG2-CB 4.12Å; V755-K782 VanDerWaalsContact CG2-O 3.31Å; V755-K782 WeakPolarHBondContact CG2-O 3.38Å; A780-K782 PolarHBondContact O-N 2.8Å
783L85.4Confident85.3Confident1 Ų154.8 Ų54.81%0.00526%0.264CS..THydrogen-bonded Turntrans-85.4-46.7172.2177.264.5000111.2V570 F572 F720 L748 V750 V755 A776 A780 E781V570-L783 HydrophobicContact CG1-CD1 4.3Å; V570-L783 HydrophobicContact CG1-CD2 3.65Å; F572-L783 HydrophobicContact CB-CD2 4.4Å; F572-L783 HydrophobicContact CD1-CD2 3.68Å; F572-L783 HydrophobicContact CE1-CD2 4.22Å; F572-L783 HydrophobicContact CG-CD2 4.23Å; F720-L783 HydrophobicContact CE1-CD1 4.12Å; F720-L783 HydrophobicContact CE1-CG 4.25Å; F720-L783 WeakPolarHBondContact CE1-O 3.31Å; F720-L783 HydrophobicContact CZ-CD1 4.34Å; F720-L783 HydrophobicContact CZ-CG 3.98Å; L748-L783 HydrophobicContact CD2-CD1 4.1Å; V750-L783 HydrophobicContact CG2-CD1 3.88Å; V755-L783 HydrophobicContact CG1-CB 4.19Å; V755-L783 HydrophobicContact CG2-CB 4.17Å; A776-L783 HydrophobicContact CB-CB 4.5Å; A776-L783 HydrophobicContact CB-CD2 3.73Å; A780-L783 HydrophobicContact CB-CB 4.1Å; A780-L783 HydrophobicContact CB-CD2 4.11Å; A780-L783 HydrophobicContact CB-CG 4.49Å; A780-L783 WeakPolarHBondContact O-CA 3.38Å; A780-L783 WeakPolarHBondContact O-CB 3.34Å; A780-L783 PolarHBondContact O-N 2.86Å; E781-L783 PolarHBondContact O-N 3.49Å
784I88.4Confident85Confident2 Ų259.1 Ų59.11%0.0130%0.301CS..SBendtrans-85.4154.817563.6179.7000111.7L716 F720 R753 A780 G786 Y791L716-I784 HydrophobicContact CD2-CD1 4.3Å; L716-I784 HydrophobicContact CD2-CG2 4.44Å; F720-I784 HydrophobicContact CE2-CG2 4.3Å; F720-I784 HydrophobicContact CZ-CG2 3.96Å; R753-I784 PolarHBondContact NH1-O 2.93Å; A780-I784 HydrophobicContact CB-CG1 4.48Å; A780-I784 HydrophobicContact CB-CG2 3.89Å; A780-I784 PolarHBondContact O-N 3.28Å; A780-I784 VanDerWaalsContact O-N 3.12Å; I784-G786 VanDerWaalsContact C-N 3.34Å; I784-G786 PolarHBondContact O-N 3.13Å; I784-Y791 HydrophobicContact CB-CE2 4.33Å; I784-Y791 HydrophobicContact CD1-CD2 4.38Å; I784-Y791 HydrophobicContact CD1-CE2 3.94Å; I784-Y791 HydrophobicContact CG1-CE2 4.37Å
785D83.9Confident84.8Confident45 Ų4557 Ų5724%0.24129%0.293CS..SBendtrans-7283.6172.3-68.3-6.7000110.5H714 K751 R753 Y791H714-D785 IonicContact NE2-OD2 2.77Å; K751-D785 IonicContact NZ-OD1 3.71Å; K751-D785 IonicContact NZ-OD2 3.58Å; K751-D785 PolarHBondContact NZ-OD2 3.25Å; R753-D785 IonicContact CZ-OD1 2.88Å; R753-D785 IonicContact NH1-OD1 3.78Å; R753-D785 PolarHBondContact NH1-OD1 2.82Å; R753-D785 IonicContact NH2-OD1 3.67Å; R753-D785 PolarHBondContact NH2-OD1 2.84Å; D785-Y791 PolarHBondContact N-OH 3.37Å; D785-Y791 PolarHBondContact O-OH 2.97Å
786G86.2Confident84.7Confident40 Ų4056.6 Ų56.641%0.41229%0.291SS..SBendtrans115.5-144.9178.500000112.9I784I784-G786 VanDerWaalsContact C-N 3.34Å; I784-G786 PolarHBondContact O-N 3.13Å
787R87.4Confident84.7Confident179 Ų17957.1 Ų57.168%0.67529%0.293SS*.  trans-114.5167.1170.7-55.8-176.8175.7174.50.2110.2E789 D790 Y791R787-E789 WeakPolarHBondContact CB-OE2 3.46Å; R787-E789 PolarHBondContact O-N 2.7Å; R787-D790 PolarHBondContact N-OD2 3.13Å; R787-D790 WeakPolarHBondContact O-CB 3.33Å; R787-D790 PolarHBondContact O-N 2.8Å; R787-Y791 VanDerWaalsContact O-CD2 3.27Å; R787-Y791 WeakPolarHBondContact O-CD2 3.46Å
788Y86.3Confident84.8Confident37 Ų3753.7 Ų53.715%0.14528%0.282CS..G310 helixtrans-65.1-30.2-175.288.5-90000112.2I574 D790 Y791 V792I574-Y788 HydrophobicContact CG2-CD2 3.84Å; I574-Y788 HydrophobicContact CG2-CG 3.92Å; Y788-D790 PolarHBondContact O-N 2.79Å; Y788-Y791 WeakPolarHBondContact O-CB 3.37Å; Y788-Y791 PolarHBondContact O-N 2.87Å; Y788-V792 HydrophobicContact CD2-CG2 4.31Å; Y788-V792 HydrophobicContact CE2-CG2 4.26Å
789E88.3Confident84.8Confident95 Ų9548.5 Ų48.544%0.44426%0.255SS..G310 helixtrans-59.9-30.3178.3-60.887.6162.400111.8R787 Y791 V792R787-E789 WeakPolarHBondContact CB-OE2 3.46Å; R787-E789 PolarHBondContact O-N 2.7Å; E789-Y791 PolarHBondContact O-N 3.26Å; E789-V792 WeakPolarHBondContact O-CB 3.43Å; E789-V792 PolarHBondContact O-N 3.31Å; E789-V792 VanDerWaalsContact O-N 3.1Å
790D87.9Confident84.1Confident109 Ų10948.2 Ų48.258%0.58326%0.262SS*.G310 helixtrans-67.6-16.3177.1-57.1-38.1000112.5R787 Y788R787-D790 PolarHBondContact N-OD2 3.13Å; R787-D790 WeakPolarHBondContact O-CB 3.33Å; R787-D790 PolarHBondContact O-N 2.8Å; Y788-D790 PolarHBondContact O-N 2.79Å
791Y90.4Very high82.7Confident8 Ų852.4 Ų52.43%0.03129%0.285CS..G310 helixtrans-102.42.2177.5-59-94.7000112.8R583 H714 L716 Q719 I784 D785 R787 Y788 E789R583-Y791 WeakPolarHBondContact CB-O 3.42Å; R583-Y791 PolarHBondContact N-O 3.08Å; H714-Y791 AromaticContact CE1-CE1 3.66Å; H714-Y791 AromaticContact CE1-CZ 3.89Å; H714-Y791 PolarHBondContact CE1-OH 3.48Å; H714-Y791 AromaticContact ND1-CE1 3.71Å; L716-Y791 HydrophobicContact CD2-CD1 4.13Å; L716-Y791 HydrophobicContact CD2-CD2 3.77Å; L716-Y791 HydrophobicContact CD2-CE1 4.49Å; L716-Y791 HydrophobicContact CD2-CE2 4.17Å; L716-Y791 HydrophobicContact CD2-CG 3.74Å; L716-Y791 HydrophobicContact CG-CD1 4.06Å; L716-Y791 HydrophobicContact CG-CD2 4.45Å; L716-Y791 HydrophobicContact CG-CG 3.91Å; Q719-Y791 PolarHBondContact NE2-OH 3.33Å; Q719-Y791 PolarHBondContact OE1-OH 2.86Å; I784-Y791 HydrophobicContact CB-CE2 4.33Å; I784-Y791 HydrophobicContact CD1-CD2 4.38Å; I784-Y791 HydrophobicContact CD1-CE2 3.94Å; I784-Y791 HydrophobicContact CG1-CE2 4.37Å; D785-Y791 PolarHBondContact N-OH 3.37Å; D785-Y791 PolarHBondContact O-OH 2.97Å; R787-Y791 VanDerWaalsContact O-CD2 3.27Å; R787-Y791 WeakPolarHBondContact O-CD2 3.46Å; Y788-Y791 WeakPolarHBondContact O-CB 3.37Å; Y788-Y791 PolarHBondContact O-N 2.87Å; E789-Y791 PolarHBondContact O-N 3.26Å
792V90.2Very high80.6Confident51 Ų5151 Ų5131%0.30928%0.283SS..EExtended strand (participates in β ladder)trans-80.4129.7174-1790000109.4V581 L582 Y788 E789V581-V792 CarbonylContact O-C 3.48Å; V581-V792 WeakPolarHBondContact O-CA 3.21Å; L582-V792 HydrophobicContact CD2-CG2 3.93Å; Y788-V792 HydrophobicContact CD2-CG2 4.31Å; Y788-V792 HydrophobicContact CE2-CG2 4.26Å; E789-V792 WeakPolarHBondContact O-CB 3.43Å; E789-V792 PolarHBondContact O-N 3.31Å; E789-V792 VanDerWaalsContact O-N 3.1Å
793T87.9Confident78.1Confident12 Ų1252.5 Ų52.57%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-112.5156179.878.80000110.9V581 R583 H795V581-T793 WeakPolarHBondContact CG1-OG1 3.44Å; V581-T793 PolarHBondContact O-N 3.24Å; R583-T793 HydrophobicContact CB-CG2 3.96Å; R583-T793 VanDerWaalsContact CZ-CG2 3.4Å; R583-T793 VanDerWaalsContact NH2-CG2 3.31Å; T793-H795 VanDerWaalsContact C-N 3.31Å; T793-H795 PolarHBondContact O-N 3.07Å; T793-H795 PolarHBondContact OG1-O 2.84Å; T793-H795 VanDerWaalsContact OG1-O 3.04Å
794A80.4Confident75.3Confident96 Ų9660.4 Ų60.479%0.79334%0.34SS*.SBendtrans-67.5-32.2-179.900000112.7
795H82.3Confident72.3Confident10 Ų1069 Ų695%0.04641%0.411CS..SBendtrans-153.1162.1-179.86851.5000113.6V107 A110 T793 F797 D798V107-H795 WeakPolarHBondContact CG1-NE2 3.47Å; A110-H795 HydrophobicContact CB-CB 4.34Å; T793-H795 VanDerWaalsContact C-N 3.31Å; T793-H795 PolarHBondContact O-N 3.07Å; T793-H795 PolarHBondContact OG1-O 2.84Å; T793-H795 VanDerWaalsContact OG1-O 3.04Å; H795-F797 VanDerWaalsContact C-N 3.27Å; H795-F797 VanDerWaalsContact ND1-C 3.32Å; H795-F797 PolarHBondContact ND1-N 2.87Å; H795-F797 VanDerWaalsContact ND1-N 3.16Å; H795-F797 PolarHBondContact O-N 3.15Å; H795-D798 WeakPolarHBondContact CE1-CA 3.41Å; H795-D798 VanDerWaalsContact CE1-CB 3.49Å; H795-D798 WeakPolarHBondContact CE1-CB 3.28Å; H795-D798 PolarHBondContact CE1-N 3.31Å; H795-D798 WeakPolarHBondContact ND1-CB 3.43Å; H795-D798 PolarHBondContact ND1-N 2.75Å; H795-D798 VanDerWaalsContact O-CB 3.3Å; H795-D798 WeakPolarHBondContact O-CB 3.23Å; H795-D798 PolarHBondContact O-N 3.3Å; H795-D798 VanDerWaalsContact O-N 3.15Å
796L85.1Confident71.7Confident6 Ų670.2 Ų70.23%0.03142%0.42CS..THydrogen-bonded Turntrans-61-29.2-173.7-159.169000114.2V581 N596 R598 S618 A620 E632V581-L796 HydrophobicContact CG1-CD1 3.95Å; N596-L796 HydrophobicContact CB-CD1 4.24Å; N596-L796 WeakPolarHBondContact CB-O 3.47Å; N596-L796 PolarHBondContact ND2-O 2.97Å; N596-L796 WeakPolarHBondContact O-CD1 3.48Å; R598-L796 HydrophobicContact CB-CD1 4.1Å; S618-L796 WeakPolarHBondContact OG-CD2 3.32Å; A620-L796 HydrophobicContact CB-CB 4.49Å; A620-L796 HydrophobicContact CB-CD1 4.41Å; A620-L796 HydrophobicContact CB-CD2 3.67Å; A620-L796 HydrophobicContact CB-CG 3.51Å; E632-L796 HydrophobicContact CG-CD2 4.08Å
797F85.4Confident71Confident13 Ų1371.8 Ų71.86%0.05742%0.42CS..THydrogen-bonded Turntrans-95.416-179.2-54.2-72.8000114.3L43 I106 A620 V622 Y630 E632 H795L43-F797 HydrophobicContact CD1-CD2 4.16Å; L43-F797 HydrophobicContact CD1-CE2 3.82Å; I106-F797 HydrophobicContact CD1-CD2 4.41Å; I106-F797 HydrophobicContact CD1-CE2 4.38Å; A620-F797 HydrophobicContact CB-CD1 4.08Å; A620-F797 HydrophobicContact CB-CE1 3.89Å; V622-F797 HydrophobicContact CG2-CB 4.39Å; V622-F797 HydrophobicContact CG2-CD1 4.23Å; Y630-F797 HydrophobicContact CD1-CB 4.28Å; Y630-F797 AromaticContact CD1-CD1 3.74Å; Y630-F797 HydrophobicContact CD1-CD1 3.74Å; Y630-F797 HydrophobicContact CD1-CG 4.32Å; Y630-F797 HydrophobicContact CE1-CB 4.43Å; Y630-F797 HydrophobicContact CG-CD1 4.13Å; E632-F797 HydrophobicContact CB-CE1 4.35Å; E632-F797 HydrophobicContact CB-CZ 4.21Å; H795-F797 VanDerWaalsContact C-N 3.27Å; H795-F797 VanDerWaalsContact ND1-C 3.32Å; H795-F797 PolarHBondContact ND1-N 2.87Å; H795-F797 VanDerWaalsContact ND1-N 3.16Å; H795-F797 PolarHBondContact O-N 3.15Å
798D83.1Confident70Confident24 Ų2465.8 Ų65.813%0.12841%0.406CS..  trans-83120.2-172.7178.124.8000111.3R583 N596 H795 G800R583-D798 PolarHBondContact NH2-O 3.43Å; R583-D798 VanDerWaalsContact NH2-O 3.12Å; R583-D798 IonicContact NH2-OD1 2.75Å; R583-D798 IonicContact NH2-OD2 2.74Å; R583-D798 PolarHBondContact NH2-OD2 2.93Å; N596-D798 PolarHBondContact ND2-O 2.95Å; H795-D798 WeakPolarHBondContact CE1-CA 3.41Å; H795-D798 VanDerWaalsContact CE1-CB 3.49Å; H795-D798 WeakPolarHBondContact CE1-CB 3.28Å; H795-D798 PolarHBondContact CE1-N 3.31Å; H795-D798 WeakPolarHBondContact ND1-CB 3.43Å; H795-D798 PolarHBondContact ND1-N 2.75Å; H795-D798 VanDerWaalsContact O-CB 3.3Å; H795-D798 WeakPolarHBondContact O-CB 3.23Å; H795-D798 PolarHBondContact O-N 3.3Å; H795-D798 VanDerWaalsContact O-N 3.15Å; D798-G800 PolarHBondContact OD1-N 2.99Å
799T80.3Confident69.1Low12 Ų1267.5 Ų67.57%0.07442%0.421CS..  trans-96.4-4.1179.159.30000113.6H588 V622 D624H588-T799 PolarHBondContact CE1-O 3.06Å; H588-T799 PolarHBondContact ND1-O 3.09Å; H588-T799 VanDerWaalsContact ND1-O 3.15Å; V622-T799 HydrophobicContact CB-CG2 3.98Å; V622-T799 HydrophobicContact CG1-CG2 3.51Å; D624-T799 WeakPolarHBondContact OD2-CG2 3.25Å
800G64.3Low67.9Low37 Ų3765.8 Ų65.838%0.38142%0.42SS..SBendtrans88.911.8170.700000116.2D798D798-G800 PolarHBondContact OD1-N 2.99Å
801N51.9Low66.6Low89 Ų8962.9 Ų62.948%0.47641%0.409SS..  trans-126.288.9168.8-86.6-3.9000109.5R589R589-N801 PolarHBondContact NH2-OD1 3.18Å
802T36.8Very low64.9Low82 Ų8266.9 Ų66.950%0.50344%0.436SS..  trans-133.141.8160.751.70000111.8V107V107-T802 HydrophobicContact CG1-CG2 4.39Å
803N28.8Very low62.9Low155 Ų15568.1 Ų68.183%0.82945%0.445SS*.  trans-153.887.9164.2-87.1-26.1000109.5
804N25.3Very low60.8Low167 Ų16772.8 Ų72.889%0.89348%0.476SS*.  trans179.5117.1135.8-92.8-10.2000109.4
805A26.3Very low59.1Low182 Ų18270.6 Ų70.6100%1.50445%0.448SS*.  trans74.70-179.800000116.4

Retrieved 805 of 805 residues in 1540.6 ms (Link to these results)

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