A0A096NCZ8_PAPAN Loading...

tRNA:m(4)X modification enzyme TRM13

tRNA methylase which 2'-O-methylates cytidine(4) in tRNA(Pro) and tRNA(Gly)(GCC), and adenosine(4) in tRNA(His).

AlphaFold DB , UniProt , Accession A0A096NCZ8, Species PAPAN (Papio anubis, Olive baboon), Gene TRMT13, Length 481 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
1M36.1Very low36.2Very low252 Ų252129.8 Ų129.8100%1.24184%0.836SS**  097.50-71.1-166.9172.100107.6
2A29.1Very low38.5Very low103 Ų103124 Ų12485%0.85182%0.818SS**  trans-112.1117.6178.500000107S4A2-S4 PolarHBondContact O-N 3.13Å
3T29.6Very low41.2Very low147 Ų147126.9 Ų126.990%0.90281%0.809SS**PPolyproline II helixtrans-65.7121.7-179.534.20000109.9A5T3-A5 PolarHBondContact O-N 3.13Å
4S30.8Very low44.2Very low117 Ų117121.3 Ų121.382%0.81877%0.774SS**PPolyproline II helixtrans-68.8117173.949.80000110.1A2 S6A2-S4 PolarHBondContact O-N 3.13Å; S4-S6 PolarHBondContact O-N 3.03Å
5A33.2Very low46.7Very low103 Ų103117.5 Ų117.585%0.85176%0.757SS**PPolyproline II helixtrans-66.4122.116700000109.6T3T3-A5 PolarHBondContact O-N 3.13Å
6S33.2Very low48.9Very low110 Ų110122.4 Ų122.477%0.76977%0.768SS**PPolyproline II helixtrans-67.4142.8174.137.90000111.5S4S4-S6 PolarHBondContact O-N 3.03Å
7S33.5Very low50.9Low99 Ų99117.7 Ų117.769%0.69275%0.748SS**PPolyproline II helixtrans-60.8138.6170.440.60000110.8H9S7-H9 PolarHBondContact O-N 3.39Å; S7-H9 VanDerWaalsContact O-N 3.1Å
8P39.8Very low53Low125 Ų125117.6 Ų117.681%0.81273%0.731SS**  trans-72.1114.3179.527.8-29.8000109.2
9H38.5Very low54.9Low168 Ų168111.4 Ų111.478%0.77869%0.692SS**  trans-45.9147.3160.9-80.7-88.4000110.8S7 T11S7-H9 PolarHBondContact O-N 3.39Å; S7-H9 VanDerWaalsContact O-N 3.1Å; H9-T11 PolarHBondContact O-N 2.9Å
10A46.4Very low56.5Low106 Ų106106.6 Ų106.688%0.87667%0.665SS**  trans-46.9107.3168.300000109.4G12A10-G12 PolarHBondContact O-N 3.09Å
11T48.4Very low57.9Low98 Ų98105.9 Ų105.960%0.60165%0.651SS**  trans-63.7127.5-175.350.70000108.7H9 F13H9-T11 PolarHBondContact O-N 2.9Å; T11-F13 PolarHBondContact O-N 3.19Å; T11-F13 PolarHBondContact OG1-O 2.77Å
12G64Low60.3Low60 Ų6099 Ų9962%0.61961%0.612SS**SBendtrans-64.39.6168.400000113.8A10A10-G12 PolarHBondContact O-N 3.09Å
13F73.5Confident63Low162 Ų16295.7 Ų95.771%0.71158%0.581SS**SBendtrans-134.9148.9-174.6-61.3-78.2000110.9T11T11-F13 PolarHBondContact O-N 3.19Å; T11-F13 PolarHBondContact OG1-O 2.77Å
14P82.1Confident65.5Low48 Ų4896.5 Ų96.531%0.31258%0.575SS.*PPolyproline II helixtrans-63.8148.9171.929.7-36.3000110.9F29P14-F29 HydrophobicContact CB-CB 4.22Å; P14-F29 HydrophobicContact CB-CD1 4.1Å; P14-F29 HydrophobicContact CB-CG 4.07Å
15A81.9Confident67.8Low64 Ų6499.4 Ų99.453%0.52957%0.572SS.*PPolyproline II helixtrans-64.1151.2171.900000111G17 R18A15-G17 PolarHBondContact O-N 3.49Å; A15-R18 HydrophobicContact CB-CB 4.39Å; A15-R18 HydrophobicContact CB-CG 3.94Å; A15-R18 VanDerWaalsContact O-CB 3.28Å; A15-R18 WeakPolarHBondContact O-CB 3.43Å; A15-R18 PolarHBondContact O-N 2.78Å
16E82.4Confident70.2Confident197 Ų197100.6 Ų100.692%0.92156%0.558SS**THydrogen-bonded Turntrans-55.4134.7-179.2-165.2173.9-172.300111.7R18E16-R18 PolarHBondContact O-N 2.83Å
17G83.3Confident72.7Confident42 Ų42103.8 Ų103.843%0.43356%0.558SS.*THydrogen-bonded Turntrans68.89.4-175.700000115.4A15 V33 V34A15-G17 PolarHBondContact O-N 3.49Å; G17-V33 WeakPolarHBondContact O-CA 3.2Å; G17-V34 PolarHBondContact O-N 3.23Å
18R88.8Confident75.2Confident116 Ų116103.2 Ų103.244%0.43854%0.541SS..BIsolated β-bridgetrans-110.3155.9177-55.4-63.4-172.5160.3-7.7112.1A15 E16 G20 R31 M32A15-R18 HydrophobicContact CB-CB 4.39Å; A15-R18 HydrophobicContact CB-CG 3.94Å; A15-R18 VanDerWaalsContact O-CB 3.28Å; A15-R18 WeakPolarHBondContact O-CB 3.43Å; A15-R18 PolarHBondContact O-N 2.78Å; E16-R18 PolarHBondContact O-N 2.83Å; R18-G20 PolarHBondContact O-N 3.1Å; R18-R31 WeakPolarHBondContact CD-O 3.25Å; R18-R31 PolarHBondContact NH1-O 2.81Å; R18-M32 WeakPolarHBondContact CA-O 3.44Å
19C88.9Confident77.5Confident0 Ų099.6 Ų99.60%051%0.513CS..  trans-62.5129.2-175.7173.30000112.6Y21 C30 M32 V34 C41C19-Y21 PolarHBondContact O-N 3.26Å; C19-Y21 VanDerWaalsContact O-N 3.16Å; C19-Y21 VanDerWaalsContact SG-CB 3.58Å; C19-Y21 PolarHBondContact SG-N 3.48Å; C19-C30 HydrophobicContact CB-CB 3.76Å; C19-M32 WeakPolarHBondContact CB-O 3.09Å; C19-M32 PolarHBondContact N-O 3.01Å; C19-V34 VanDerWaalsContact CA-CG1 3.47Å; C19-V34 HydrophobicContact CB-CG1 4.03Å; C19-C41 HydrophobicContact CB-CB 3.85Å; C19-C41 PolarHBondContact SG-N 3.24Å; C19-C41 VanDerWaalsContact SG-SG 3.69Å
20G87.3Confident79.8Confident15 Ų1592.2 Ų92.216%0.15548%0.48CS..  trans-73.43.2179.600000116.3R18 F29 R39R18-G20 PolarHBondContact O-N 3.1Å; G20-F29 WeakPolarHBondContact O-CD1 3.39Å; G20-F29 WeakPolarHBondContact O-CE1 3.3Å; G20-R39 PolarHBondContact N-O 3.36Å
21Y85.9Confident81.8Confident92 Ų9295.4 Ų95.436%0.36147%0.469SS..  trans-77.4127.3-179.5-173.2-92.5000111.1C19 V23 F29 C30 H44 A47C19-Y21 PolarHBondContact O-N 3.26Å; C19-Y21 VanDerWaalsContact O-N 3.16Å; C19-Y21 VanDerWaalsContact SG-CB 3.58Å; C19-Y21 PolarHBondContact SG-N 3.48Å; Y21-V23 HydrophobicContact CD1-CG2 3.99Å; Y21-V23 HydrophobicContact CE1-CG2 4.29Å; Y21-F29 CarbonylContact O-C 3.59Å; Y21-F29 WeakPolarHBondContact O-CA 3.19Å; Y21-C30 WeakPolarHBondContact O-CB 3.42Å; Y21-C30 PolarHBondContact O-N 3.18Å; Y21-H44 AromaticContact CD1-CD2 3.71Å; Y21-H44 AromaticContact CD1-CE1 3.54Å; Y21-H44 AromaticContact CD1-CG 3.87Å; Y21-H44 AromaticContact CD1-ND1 3.77Å; Y21-H44 AromaticContact CD1-NE2 3.51Å; Y21-H44 HydrophobicContact CD2-CB 4.14Å; Y21-H44 AromaticContact CE1-CD2 3.95Å; Y21-H44 AromaticContact CE1-NE2 3.7Å; Y21-H44 HydrophobicContact CG-CB 4Å; Y21-H44 AromaticContact CG-CD2 3.78Å; Y21-H44 AromaticContact CG-CG 3.6Å; Y21-H44 AromaticContact CG-ND1 3.75Å; Y21-A47 HydrophobicContact CD2-CB 4.36Å; Y21-A47 HydrophobicContact CE2-CB 4.21Å
22Y86.9Confident83.6Confident107 Ų10796 Ų9642%0.4247%0.467SS..EExtended strand (participates in β ladder)trans-87.6118.9176.6-167-94.8000110.9E24 K27 F29Y22-E24 HydrophobicContact CD1-CG 4.26Å; Y22-E24 PolarHBondContact O-N 3.05Å; Y22-K27 WeakPolarHBondContact OH-CA 3.43Å; Y22-K27 PolarHBondContact OH-O 2.79Å; Y22-F29 HydrophobicContact CD2-CD1 4.06Å; Y22-F29 HydrophobicContact CD2-CD2 4Å; Y22-F29 AromaticContact CD2-CE1 3.96Å; Y22-F29 HydrophobicContact CD2-CE1 3.96Å; Y22-F29 AromaticContact CD2-CE2 3.88Å; Y22-F29 HydrophobicContact CD2-CE2 3.88Å; Y22-F29 HydrophobicContact CD2-CG 4.09Å; Y22-F29 AromaticContact CD2-CZ 3.87Å; Y22-F29 HydrophobicContact CD2-CZ 3.87Å; Y22-F29 HydrophobicContact CE2-CD2 4.43Å; Y22-F29 HydrophobicContact CE2-CE2 4.31Å
23V84.1Confident84.7Confident33 Ų3397.7 Ų97.720%0.246%0.464CS..EExtended strand (participates in β ladder)trans-9093.3-179.7-174.70000108.9Y21 K25 K26 K27 R28 C30Y21-V23 HydrophobicContact CD1-CG2 3.99Å; Y21-V23 HydrophobicContact CE1-CG2 4.29Å; V23-K25 VanDerWaalsContact C-N 3.34Å; V23-K25 PolarHBondContact O-N 3.07Å; V23-K26 HydrophobicContact CB-CB 4.26Å; V23-K26 HydrophobicContact CG1-CB 3.91Å; V23-K26 HydrophobicContact CG1-CD 4.18Å; V23-K26 HydrophobicContact CG1-CG 3.91Å; V23-K26 CarbonylContact O-C 3.49Å; V23-K26 PolarHBondContact O-N 3.08Å; V23-K27 PolarHBondContact O-N 3.05Å; V23-R28 WeakPolarHBondContact CB-O 3.1Å; V23-R28 PolarHBondContact N-O 3.18Å; V23-C30 HydrophobicContact CG2-CB 4.29Å
24E82.5Confident85.4Confident165 Ų16591.3 Ų91.377%0.77144%0.438SS*.G310 helixtrans-51.1-48.3-176.2-72.7-176.3162.100113.1Y22 K26 K27Y22-E24 HydrophobicContact CD1-CG 4.26Å; Y22-E24 PolarHBondContact O-N 3.05Å; E24-K26 PolarHBondContact O-N 3.21Å; E24-K27 PolarHBondContact O-N 2.99Å
25K80.1Confident85.4Confident177 Ų17792.2 Ų92.277%0.7745%0.45SS*.G310 helixtrans-57.2-28.3179.3-172.2172.8-176.6172.90113.7V23V23-K25 VanDerWaalsContact C-N 3.34Å; V23-K25 PolarHBondContact O-N 3.07Å
26K82.5Confident85.2Confident129 Ų12994.3 Ų94.356%0.56147%0.468SS*.G310 helixtrans-105.90.4-178.5-63-172.4179.6-178.70112.7V23 E24 R28V23-K26 HydrophobicContact CB-CB 4.26Å; V23-K26 HydrophobicContact CG1-CB 3.91Å; V23-K26 HydrophobicContact CG1-CD 4.18Å; V23-K26 HydrophobicContact CG1-CG 3.91Å; V23-K26 CarbonylContact O-C 3.49Å; V23-K26 PolarHBondContact O-N 3.08Å; E24-K26 PolarHBondContact O-N 3.21Å; K26-R28 HydrophobicContact CB-CG 3.95Å; K26-R28 WeakPolarHBondContact O-CG 3Å; K26-R28 PolarHBondContact O-N 3.02Å; K26-R28 VanDerWaalsContact O-N 3.16Å
27K85.6Confident84.9Confident177 Ų17789.3 Ų89.377%0.7747%0.469SS*.THydrogen-bonded Turntrans45.241.6-177.4-60.8-170.7176-172.90113.3Y22 V23 E24Y22-K27 WeakPolarHBondContact OH-CA 3.43Å; Y22-K27 PolarHBondContact OH-O 2.79Å; V23-K27 PolarHBondContact O-N 3.05Å; E24-K27 PolarHBondContact O-N 2.99Å
28R86.4Confident84.8Confident87 Ų8790.9 Ų90.933%0.32846%0.463SS..EExtended strand (participates in β ladder)trans-155.3155.5-179.267.4-176.1176.793-13.4112.3V23 K26 R31V23-R28 WeakPolarHBondContact CB-O 3.1Å; V23-R28 PolarHBondContact N-O 3.18Å; K26-R28 HydrophobicContact CB-CG 3.95Å; K26-R28 WeakPolarHBondContact O-CG 3Å; K26-R28 PolarHBondContact O-N 3.02Å; K26-R28 VanDerWaalsContact O-N 3.16Å; R28-R31 VanDerWaalsContact NH1-CD 3.29Å; R28-R31 VanDerWaalsContact NH1-CG 3.34Å
29F88.7Confident84.4Confident49 Ų4993.9 Ų93.922%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-64.4149.4168.9-71.4-80.2000112.2P14 G20 Y21 Y22 R31P14-F29 HydrophobicContact CB-CB 4.22Å; P14-F29 HydrophobicContact CB-CD1 4.1Å; P14-F29 HydrophobicContact CB-CG 4.07Å; G20-F29 WeakPolarHBondContact O-CD1 3.39Å; G20-F29 WeakPolarHBondContact O-CE1 3.3Å; Y21-F29 CarbonylContact O-C 3.59Å; Y21-F29 WeakPolarHBondContact O-CA 3.19Å; Y22-F29 HydrophobicContact CD2-CD1 4.06Å; Y22-F29 HydrophobicContact CD2-CD2 4Å; Y22-F29 AromaticContact CD2-CE1 3.96Å; Y22-F29 HydrophobicContact CD2-CE1 3.96Å; Y22-F29 AromaticContact CD2-CE2 3.88Å; Y22-F29 HydrophobicContact CD2-CE2 3.88Å; Y22-F29 HydrophobicContact CD2-CG 4.09Å; Y22-F29 AromaticContact CD2-CZ 3.87Å; Y22-F29 HydrophobicContact CD2-CZ 3.87Å; Y22-F29 HydrophobicContact CE2-CD2 4.43Å; Y22-F29 HydrophobicContact CE2-CE2 4.31Å; F29-R31 PolarHBondContact O-N 3.19Å
30C85.5Confident84.2Confident13 Ų1394.8 Ų94.89%0.08848%0.479CS..  trans-60.1129175.5-177.10000110.2C19 Y21 V23 M32 H44C19-C30 HydrophobicContact CB-CB 3.76Å; Y21-C30 WeakPolarHBondContact O-CB 3.42Å; Y21-C30 PolarHBondContact O-N 3.18Å; V23-C30 HydrophobicContact CG2-CB 4.29Å; C30-M32 VanDerWaalsContact C-N 3.29Å; C30-M32 PolarHBondContact O-N 2.93Å; C30-H44 VanDerWaalsContact SG-CE1 3.59Å
31R89.1Confident84Confident173 Ų17394.3 Ų94.365%0.65347%0.473SS*.  trans-86.64.2-179.8-73-179.2-174.3172.5-1.7113.3R18 R28 F29R18-R31 WeakPolarHBondContact CD-O 3.25Å; R18-R31 PolarHBondContact NH1-O 2.81Å; R28-R31 VanDerWaalsContact NH1-CD 3.29Å; R28-R31 VanDerWaalsContact NH1-CG 3.34Å; F29-R31 PolarHBondContact O-N 3.19Å
32M87Confident83.5Confident111 Ų11192.3 Ų92.355%0.54748%0.481SS..PPolyproline II helixtrans-71.6143.1179.4-67.3-57.2-65.500110.6R18 C19 C30 C41R18-M32 WeakPolarHBondContact CA-O 3.44Å; C19-M32 WeakPolarHBondContact CB-O 3.09Å; C19-M32 PolarHBondContact N-O 3.01Å; C30-M32 VanDerWaalsContact C-N 3.29Å; C30-M32 PolarHBondContact O-N 2.93Å; M32-C41 HydrophobicContact CB-CB 3.41Å; M32-C41 VanDerWaalsContact CB-CB 3.41Å; M32-C41 HydrophobicContact CG-CB 4.4Å
33V87.1Confident83Confident94 Ų9492.9 Ų92.957%0.5749%0.487SS*.BIsolated β-bridgetrans-70.9142.2176.6-178.10000109.5G17G17-V33 WeakPolarHBondContact O-CA 3.2Å
34V87.6Confident82.7Confident28 Ų2893.4 Ų93.417%0.1749%0.487CS..PPolyproline II helixtrans-95.7149.4174.4-58.10000110.6G17 C19 K38G17-V34 PolarHBondContact O-N 3.23Å; C19-V34 VanDerWaalsContact CA-CG1 3.47Å; C19-V34 HydrophobicContact CB-CG1 4.03Å; V34-K38 WeakPolarHBondContact CB-O 3.37Å; V34-K38 VanDerWaalsContact CG2-O 3.26Å; V34-K38 WeakPolarHBondContact CG2-O 3.44Å
35A81.3Confident82.2Confident67 Ų6786.7 Ų86.755%0.55446%0.46SS*.PPolyproline II helixtrans-67.1155169.800000110G37 K38A35-G37 PolarHBondContact O-N 3.28Å; A35-K38 HydrophobicContact CB-CB 4.42Å; A35-K38 HydrophobicContact CB-CG 4.28Å; A35-K38 PolarHBondContact O-N 3.09Å
36A78Confident81.3Confident109 Ų10981.1 Ų81.190%0.90145%0.453SS*.THydrogen-bonded Turntrans-53.7127.517800000110.6K38A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.05Å
37G76.8Confident80.2Confident91 Ų9178.1 Ų78.194%0.93845%0.452SS*.THydrogen-bonded Turntrans79.4-0-178.800000116.1A35A35-G37 PolarHBondContact O-N 3.28Å
38K80.2Confident78.7Confident75 Ų7572.5 Ų72.533%0.32644%0.438SS..  trans-105.1147.5178.9-66.9-63.8-163.6168.70112.1V34 A35 A36 E49 D52V34-K38 WeakPolarHBondContact CB-O 3.37Å; V34-K38 VanDerWaalsContact CG2-O 3.26Å; V34-K38 WeakPolarHBondContact CG2-O 3.44Å; A35-K38 HydrophobicContact CB-CB 4.42Å; A35-K38 HydrophobicContact CB-CG 4.28Å; A35-K38 PolarHBondContact O-N 3.09Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.05Å; K38-E49 WeakPolarHBondContact CD-OE2 3.09Å; K38-E49 IonicContact NZ-OE2 2.74Å; K38-E49 PolarHBondContact NZ-OE2 3.49Å; K38-D52 IonicContact NZ-OD2 3.98Å; K38-D52 PolarHBondContact NZ-OD2 3.25Å
39R81.4Confident77.1Confident179 Ų17970.9 Ų70.968%0.67544%0.435SS*.SBendtrans-89.9-22.2-178.4-173.9174.3166.7179.8-3.7113.6G20G20-R39 PolarHBondContact N-O 3.36Å
40F83.3Confident75.4Confident20 Ų2078.5 Ų78.59%0.08847%0.471CS..SBendtrans-126.6154.1-176.2-59-82.4000112.1H44 A48F40-H44 HydrophobicContact CB-CB 4.25Å; F40-H44 HydrophobicContact CD1-CB 4.44Å; F40-A48 HydrophobicContact CD2-CB 3.93Å; F40-A48 HydrophobicContact CE1-CB 4.32Å; F40-A48 HydrophobicContact CE2-CB 3.26Å; F40-A48 HydrophobicContact CZ-CB 3.48Å; F40-A48 VanDerWaalsContact CZ-CB 3.48Å
41C83.6Confident73.8Confident5 Ų586.6 Ų86.63%0.03451%0.507CS..  trans-73.8166.5175.367.10000110.6C19 M32 E43 H44 A45C19-C41 HydrophobicContact CB-CB 3.85Å; C19-C41 PolarHBondContact SG-N 3.24Å; C19-C41 VanDerWaalsContact SG-SG 3.69Å; M32-C41 HydrophobicContact CB-CB 3.41Å; M32-C41 VanDerWaalsContact CB-CB 3.41Å; M32-C41 HydrophobicContact CG-CB 4.4Å; C41-E43 PolarHBondContact O-N 2.82Å; C41-H44 CarbonylContact O-C 3.45Å; C41-H44 PolarHBondContact O-N 3.04Å; C41-A45 WeakPolarHBondContact O-CB 3.45Å; C41-A45 PolarHBondContact O-N 2.95Å
42G75.2Confident72Confident50 Ų5082.8 Ų82.852%0.51550%0.5SS..THydrogen-bonded Turntrans-56.3-20.1-179.200000115.7R56G42-R56 PolarHBondContact O-NH1 2.71Å; G42-R56 PolarHBondContact O-NH2 3.03Å
43E76.6Confident70.8Confident119 Ų11982.8 Ų82.856%0.55652%0.518SS*.THydrogen-bonded Turntrans-82.7-33.8174.2-69.3-65.3156.900112.8C41C41-E43 PolarHBondContact O-N 2.82Å
44H77.8Confident70.3Confident43 Ų4382.5 Ų82.520%0.19951%0.506CS..THydrogen-bonded Turntrans-105.90.4-176.5-60.7132.3000113.8Y21 C30 F40 C41 G46 A47Y21-H44 AromaticContact CD1-CD2 3.71Å; Y21-H44 AromaticContact CD1-CE1 3.54Å; Y21-H44 AromaticContact CD1-CG 3.87Å; Y21-H44 AromaticContact CD1-ND1 3.77Å; Y21-H44 AromaticContact CD1-NE2 3.51Å; Y21-H44 HydrophobicContact CD2-CB 4.14Å; Y21-H44 AromaticContact CE1-CD2 3.95Å; Y21-H44 AromaticContact CE1-NE2 3.7Å; Y21-H44 HydrophobicContact CG-CB 4Å; Y21-H44 AromaticContact CG-CD2 3.78Å; Y21-H44 AromaticContact CG-CG 3.6Å; Y21-H44 AromaticContact CG-ND1 3.75Å; C30-H44 VanDerWaalsContact SG-CE1 3.59Å; F40-H44 HydrophobicContact CB-CB 4.25Å; F40-H44 HydrophobicContact CD1-CB 4.44Å; C41-H44 CarbonylContact O-C 3.45Å; C41-H44 PolarHBondContact O-N 3.04Å; H44-G46 PolarHBondContact O-N 2.92Å; H44-A47 WeakPolarHBondContact O-CB 3.41Å; H44-A47 PolarHBondContact O-N 3.29Å; H44-A47 VanDerWaalsContact O-N 3.09Å
45A72.1Confident70.1Confident24 Ų2487 Ų8720%0.19852%0.524CS..G310 helixtrans-57.5-34.4178.500000112.9C41 A47C41-A45 WeakPolarHBondContact O-CB 3.45Å; C41-A45 PolarHBondContact O-N 2.95Å; A45-A47 VanDerWaalsContact C-N 3.25Å; A45-A47 PolarHBondContact O-N 2.91Å
46G61.4Low70.3Confident60 Ų6086.6 Ų86.662%0.61951%0.508SS*.G310 helixtrans-76.4-4.5178.500000115.3H44H44-G46 PolarHBondContact O-N 2.92Å
47A59.5Low70.8Confident66 Ų6683.4 Ų83.455%0.54548%0.475SS..G310 helixtrans-90.1-11.3-176.700000113.7Y21 H44 A45Y21-A47 HydrophobicContact CD2-CB 4.36Å; Y21-A47 HydrophobicContact CE2-CB 4.21Å; H44-A47 WeakPolarHBondContact O-CB 3.41Å; H44-A47 PolarHBondContact O-N 3.29Å; H44-A47 VanDerWaalsContact O-N 3.09Å; A45-A47 VanDerWaalsContact C-N 3.25Å; A45-A47 PolarHBondContact O-N 2.91Å
48A54.5Low71.4Confident59 Ų5984.3 Ų84.349%0.48846%0.458SS..THydrogen-bonded Turntrans-158.310.2-16800000116.8F40F40-A48 HydrophobicContact CD2-CB 3.93Å; F40-A48 HydrophobicContact CE1-CB 4.32Å; F40-A48 HydrophobicContact CE2-CB 3.26Å; F40-A48 HydrophobicContact CZ-CB 3.48Å; F40-A48 VanDerWaalsContact CZ-CB 3.48Å
49E52.3Low71.9Confident54 Ų5480.8 Ų80.825%0.25244%0.443SS..  trans-123.3109.3172.4-70.9-178.7-163.900109.5K38 E51K38-E49 WeakPolarHBondContact CD-OE2 3.09Å; K38-E49 IonicContact NZ-OE2 2.74Å; K38-E49 PolarHBondContact NZ-OE2 3.49Å; E49-E51 PolarHBondContact O-N 2.72Å
50E53.3Low72.4Confident209 Ų20976.4 Ų76.498%0.97744%0.437SS*.THydrogen-bonded Turntrans-74.1-4.3165.6-73.9-175.6162.600112.1
51E50.8Low72.8Confident182 Ų18279 Ų7985%0.8545%0.452SS*.THydrogen-bonded Turntrans-96.711.9-170.3-72.2-173.715300115.2E49E49-E51 PolarHBondContact O-N 2.72Å
52D51.6Low73Confident94 Ų9480.5 Ų80.550%0.50346%0.46SS..SBendtrans-129.6106.2171.8-129.4-38.8000109.9K38 R54K38-D52 IonicContact NZ-OD2 3.98Å; K38-D52 PolarHBondContact NZ-OD2 3.25Å; D52-R54 PolarHBondContact O-N 3.07Å
53A62.7Low73.5Confident111 Ų11182.5 Ų82.592%0.91746%0.463SS*.  trans-63.917.5-168.900000116.4
54R77.3Confident73.8Confident87 Ų8785.9 Ų85.933%0.32848%0.476SS..  trans-101.1100.5-176.7-64.8-173.665.6-145.3-11.1110.8D52 R56 Y68 D70 Q71D52-R54 PolarHBondContact O-N 3.07Å; R54-R56 PolarHBondContact O-N 3.15Å; R54-Y68 HydrophobicContact CB-CD1 3.74Å; R54-Y68 HydrophobicContact CB-CE1 3.96Å; R54-D70 IonicContact CZ-OD1 2.98Å; R54-D70 IonicContact CZ-OD2 2.62Å; R54-D70 IonicContact NE-OD1 2.82Å; R54-D70 IonicContact NE-OD2 2.91Å; R54-D70 PolarHBondContact NE-OD2 2.86Å; R54-D70 VanDerWaalsContact NH2-CG 3.32Å; R54-D70 IonicContact NH2-OD1 3.05Å; R54-D70 PolarHBondContact NH2-OD1 3.35Å; R54-D70 IonicContact NH2-OD2 3.62Å; R54-D70 PolarHBondContact NH2-OD2 2.9Å; R54-Q71 VanDerWaalsContact NH2-CD 3.32Å
55K83.3Confident74.1Confident122 Ų12286 Ų8653%0.5348%0.477SS..  trans-58126.5176.9179.1159.8158.3-124.50111.5I57 Y68 E69K55-I57 HydrophobicContact CG-CG2 4.37Å; K55-Y68 WeakPolarHBondContact O-CA 3.24Å; K55-E69 HydrophobicContact CB-CB 4.43Å; K55-E69 WeakPolarHBondContact CD-OE2 3.26Å; K55-E69 WeakPolarHBondContact CE-OE2 3.35Å; K55-E69 HydrophobicContact CG-CB 4.46Å; K55-E69 WeakPolarHBondContact CG-OE2 3.45Å; K55-E69 IonicContact NZ-OE1 3.67Å; K55-E69 PolarHBondContact NZ-OE1 2.91Å; K55-E69 IonicContact NZ-OE2 3.17Å; K55-E69 PolarHBondContact NZ-OE2 3.17Å; K55-E69 WeakPolarHBondContact O-CB 3.42Å; K55-E69 PolarHBondContact O-N 3.4Å
56R85.7Confident74.7Confident60 Ų6087.1 Ų87.123%0.22648%0.481CS..EExtended strand (participates in β ladder)trans-100140169-77-171.3166.5-129.94.1110.4G42 R54 T66 V67 Y68G42-R56 PolarHBondContact O-NH1 2.71Å; G42-R56 PolarHBondContact O-NH2 3.03Å; R54-R56 PolarHBondContact O-N 3.15Å; R56-T66 PolarHBondContact NH1-OG1 3.46Å; R56-V67 CarbonylContact C-O 3.45Å; R56-V67 VanDerWaalsContact CA-O 3.29Å; R56-V67 WeakPolarHBondContact CA-O 3.38Å; R56-Y68 HydrophobicContact CG-CD1 3.43Å; R56-Y68 VanDerWaalsContact CG-CD1 3.43Å; R56-Y68 HydrophobicContact CG-CE1 3.61Å; R56-Y68 HydrophobicContact CG-CG 4.12Å; R56-Y68 VanDerWaalsContact NE-CE1 3.25Å; R56-Y68 VanDerWaalsContact NE-CZ 3.27Å; R56-Y68 VanDerWaalsContact NH2-CZ 3.26Å; R56-Y68 PolarHBondContact NH2-OH 3.36Å; R56-Y68 VanDerWaalsContact NH2-OH 3.15Å
57I87.7Confident76Confident42 Ų4284.7 Ų84.722%0.21545%0.454CS..EExtended strand (participates in β ladder)trans-123.4157.8175.859172.7000109.3K55 T66 V67 E69 L72K55-I57 HydrophobicContact CG-CG2 4.37Å; I57-T66 CarbonylContact O-C 3.58Å; I57-T66 VanDerWaalsContact O-CA 3.26Å; I57-T66 WeakPolarHBondContact O-CA 3.36Å; I57-V67 HydrophobicContact CD1-CG1 4.42Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 PolarHBondContact N-O 3.16Å; I57-V67 PolarHBondContact O-N 3.14Å; I57-E69 HydrophobicContact CD1-CB 4.41Å; I57-E69 HydrophobicContact CD1-CG 4.4Å; I57-E69 HydrophobicContact CG1-CB 4.47Å; I57-E69 HydrophobicContact CG2-CB 4.27Å; I57-L72 HydrophobicContact CD1-CD1 4.34Å; I57-L72 HydrophobicContact CD1-CD2 3.97Å
58L89.9Confident77.5Confident109 Ų10984.2 Ų84.257%0.57144%0.439SS*.EExtended strand (participates in β ladder)trans-62.9141.2168.5-63.8172.7000109.1P60 P63 T66L58-P60 WeakPolarHBondContact O-CD 3.17Å; L58-P63 WeakPolarHBondContact CD2-O 3.14Å; L58-T66 HydrophobicContact CD2-CG2 4Å
59C90.8Very high79.2Confident2 Ų285.7 Ų85.71%0.01444%0.435CS..EExtended strand (participates in β ladder)trans-66.1129.2177.7176.60000110.3L61 D62 H65 H75C59-L61 PolarHBondContact O-N 3.07Å; C59-L61 VanDerWaalsContact O-N 3.16Å; C59-L61 PolarHBondContact SG-N 3.21Å; C59-D62 WeakPolarHBondContact CB-O 3.15Å; C59-D62 CarbonylContact O-C 3.53Å; C59-D62 VanDerWaalsContact O-C 3.25Å; C59-D62 PolarHBondContact O-N 3.02Å; C59-H65 WeakPolarHBondContact CB-CE1 3.32Å; C59-H65 WeakPolarHBondContact CB-NE2 3.42Å; C59-H65 PolarHBondContact N-O 3.03Å; C59-H65 VanDerWaalsContact SG-CE1 3.59Å; C59-H65 PolarHBondContact SG-NE2 3.39Å; C59-H65 VanDerWaalsContact SG-NE2 3.42Å; C59-H75 PolarHBondContact SG-NE2 3.03Å
60P91.9Very high81.1Confident86 Ų8688.2 Ų88.256%0.55845%0.451SS*.THydrogen-bonded Turntrans-62-22.1177.3-24.334.4000114.4L58 L72L58-P60 WeakPolarHBondContact O-CD 3.17Å; P60-L72 HydrophobicContact CG-CD1 3.88Å; P60-L72 HydrophobicContact CG-CD2 4.32Å
61L90.6Very high82.9Confident74 Ų7481.9 Ų81.939%0.38742%0.421SS..THydrogen-bonded Turntrans-90.6-22.9179.5-56.4177.2000113.1C59 L76 C79 R82C59-L61 PolarHBondContact O-N 3.07Å; C59-L61 VanDerWaalsContact O-N 3.16Å; C59-L61 PolarHBondContact SG-N 3.21Å; L61-L76 HydrophobicContact CD1-CD2 3.54Å; L61-L76 HydrophobicContact CD2-CD2 4.29Å; L61-L76 HydrophobicContact CG-CD2 3.57Å; L61-C79 HydrophobicContact CD1-CB 3.75Å; L61-R82 HydrophobicContact CD1-CB 3.89Å; L61-R82 HydrophobicContact CD1-CG 4.49Å
62D87.3Confident84.9Confident38 Ų3875.1 Ų75.120%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-159.4105.6176.8-178.93.2000110.2C59 K64 H65 S81C59-D62 WeakPolarHBondContact CB-O 3.15Å; C59-D62 CarbonylContact O-C 3.53Å; C59-D62 VanDerWaalsContact O-C 3.25Å; C59-D62 PolarHBondContact O-N 3.02Å; D62-K64 PolarHBondContact O-N 2.8Å; D62-K64 VanDerWaalsContact OD1-CB 3.23Å; D62-K64 WeakPolarHBondContact OD1-CB 3.47Å; D62-K64 VanDerWaalsContact OD1-CG 3.24Å; D62-K64 WeakPolarHBondContact OD1-CG 3.36Å; D62-K64 PolarHBondContact OD1-N 3.32Å; D62-H65 PolarHBondContact O-N 3.29Å; D62-H65 PolarHBondContact O-ND1 3.49Å; D62-S81 WeakPolarHBondContact CB-OG 3.49Å; D62-S81 PolarHBondContact OD2-OG 2.79Å
63P86.2Confident86.8Confident91 Ų9174 Ų7459%0.59140%0.395SS*.EExtended strand (participates in β ladder)trans-63.5-5.2179.7-23.233.9000114.7L58 H65L58-P63 WeakPolarHBondContact CD2-O 3.14Å; P63-H65 PolarHBondContact O-N 3.07Å
64K83.1Confident88.3Confident191 Ų19176.1 Ų76.183%0.8338%0.383SS*.EExtended strand (participates in β ladder)trans-73.9-11.9178.2-65.6172-176.1168.90113.8D62D62-K64 PolarHBondContact O-N 2.8Å; D62-K64 VanDerWaalsContact OD1-CB 3.23Å; D62-K64 WeakPolarHBondContact OD1-CB 3.47Å; D62-K64 VanDerWaalsContact OD1-CG 3.24Å; D62-K64 WeakPolarHBondContact OD1-CG 3.36Å; D62-K64 PolarHBondContact OD1-N 3.32Å
65H83.9Confident89Confident46 Ų4673.3 Ų73.321%0.21337%0.374CS..EExtended strand (participates in β ladder)trans-134.7162.4175.672.3-85.4000112.3C59 D62 P63 H75C59-H65 WeakPolarHBondContact CB-CE1 3.32Å; C59-H65 WeakPolarHBondContact CB-NE2 3.42Å; C59-H65 PolarHBondContact N-O 3.03Å; C59-H65 VanDerWaalsContact SG-CE1 3.59Å; C59-H65 PolarHBondContact SG-NE2 3.39Å; C59-H65 VanDerWaalsContact SG-NE2 3.42Å; D62-H65 PolarHBondContact O-N 3.29Å; D62-H65 PolarHBondContact O-ND1 3.49Å; P63-H65 PolarHBondContact O-N 3.07Å; H65-H75 AromaticContact CD2-CE1 3.71Å; H65-H75 AromaticContact CD2-NE2 3.9Å; H65-H75 AromaticContact CE1-NE2 3.88Å; H65-H75 AromaticContact NE2-CE1 3.09Å; H65-H75 PolarHBondContact NE2-CE1 3.32Å; H65-H75 AromaticContact NE2-NE2 2.94Å; H65-H75 PolarHBondContact NE2-NE2 3.38Å
66T85.6Confident89.4Confident46 Ų4670.2 Ų70.228%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-109156179.960.80000111.8R56 I57 L58R56-T66 PolarHBondContact NH1-OG1 3.46Å; I57-T66 CarbonylContact O-C 3.58Å; I57-T66 VanDerWaalsContact O-CA 3.26Å; I57-T66 WeakPolarHBondContact O-CA 3.36Å; L58-T66 HydrophobicContact CD2-CG2 4Å
67V89.1Confident89.6Confident9 Ų974.9 Ų74.96%0.05539%0.385CS..EExtended strand (participates in β ladder)trans-137.7147.4175.864.10000109.4R56 I57 E69 L72 H75R56-V67 CarbonylContact C-O 3.45Å; R56-V67 VanDerWaalsContact CA-O 3.29Å; R56-V67 WeakPolarHBondContact CA-O 3.38Å; I57-V67 HydrophobicContact CD1-CG1 4.42Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 PolarHBondContact N-O 3.16Å; I57-V67 PolarHBondContact O-N 3.14Å; V67-E69 PolarHBondContact O-N 3.34Å; V67-L72 HydrophobicContact CG1-CD1 3.75Å; V67-H75 HydrophobicContact CB-CB 4.41Å; V67-H75 HydrophobicContact CG2-CB 3.36Å; V67-H75 VanDerWaalsContact CG2-CG 3.45Å
68Y90.4Very high89.6Confident57 Ų5779.6 Ų79.622%0.22440%0.404CS..EExtended strand (participates in β ladder)trans-65.1131.8168.5-61.6-73.8000110.4R54 K55 R56 D70 Q71 L72R54-Y68 HydrophobicContact CB-CD1 3.74Å; R54-Y68 HydrophobicContact CB-CE1 3.96Å; K55-Y68 WeakPolarHBondContact O-CA 3.24Å; R56-Y68 HydrophobicContact CG-CD1 3.43Å; R56-Y68 VanDerWaalsContact CG-CD1 3.43Å; R56-Y68 HydrophobicContact CG-CE1 3.61Å; R56-Y68 HydrophobicContact CG-CG 4.12Å; R56-Y68 VanDerWaalsContact NE-CE1 3.25Å; R56-Y68 VanDerWaalsContact NE-CZ 3.27Å; R56-Y68 VanDerWaalsContact NH2-CZ 3.26Å; R56-Y68 PolarHBondContact NH2-OH 3.36Å; R56-Y68 VanDerWaalsContact NH2-OH 3.15Å; Y68-D70 VanDerWaalsContact C-N 3.27Å; Y68-D70 WeakPolarHBondContact CB-OD1 3.34Å; Y68-D70 PolarHBondContact O-N 3.38Å; Y68-Q71 CarbonylContact O-C 3.5Å; Y68-Q71 WeakPolarHBondContact O-CA 3.25Å; Y68-Q71 PolarHBondContact O-N 2.89Å; Y68-L72 PolarHBondContact O-N 2.92Å; Y68-L72 VanDerWaalsContact O-N 3.11Å
69E90.4Very high89.5Confident89 Ų8974.8 Ų74.842%0.41638%0.379SS..G310 helixtrans-55.5-43.6-177.4-176.1169.5-13800111.3K55 I57 V67 Q71 L72K55-E69 HydrophobicContact CB-CB 4.43Å; K55-E69 WeakPolarHBondContact CD-OE2 3.26Å; K55-E69 WeakPolarHBondContact CE-OE2 3.35Å; K55-E69 HydrophobicContact CG-CB 4.46Å; K55-E69 WeakPolarHBondContact CG-OE2 3.45Å; K55-E69 IonicContact NZ-OE1 3.67Å; K55-E69 PolarHBondContact NZ-OE1 2.91Å; K55-E69 IonicContact NZ-OE2 3.17Å; K55-E69 PolarHBondContact NZ-OE2 3.17Å; K55-E69 WeakPolarHBondContact O-CB 3.42Å; K55-E69 PolarHBondContact O-N 3.4Å; I57-E69 HydrophobicContact CD1-CB 4.41Å; I57-E69 HydrophobicContact CD1-CG 4.4Å; I57-E69 HydrophobicContact CG1-CB 4.47Å; I57-E69 HydrophobicContact CG2-CB 4.27Å; V67-E69 PolarHBondContact O-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.27Å; E69-L72 WeakPolarHBondContact O-CB 3.16Å; E69-L72 PolarHBondContact O-N 3.18Å
70D91.8Very high89.2Confident108 Ų10881.8 Ų81.858%0.57842%0.416SS*.G310 helixtrans-64.7-18.7176.368.7-17.6000114.3R54 Y68R54-D70 IonicContact CZ-OD1 2.98Å; R54-D70 IonicContact CZ-OD2 2.62Å; R54-D70 IonicContact NE-OD1 2.82Å; R54-D70 IonicContact NE-OD2 2.91Å; R54-D70 PolarHBondContact NE-OD2 2.86Å; R54-D70 VanDerWaalsContact NH2-CG 3.32Å; R54-D70 IonicContact NH2-OD1 3.05Å; R54-D70 PolarHBondContact NH2-OD1 3.35Å; R54-D70 IonicContact NH2-OD2 3.62Å; R54-D70 PolarHBondContact NH2-OD2 2.9Å; Y68-D70 VanDerWaalsContact C-N 3.27Å; Y68-D70 WeakPolarHBondContact CB-OD1 3.34Å; Y68-D70 PolarHBondContact O-N 3.38Å
71Q91.6Very high88.8Confident75 Ų7580 Ų8035%0.3541%0.406SS..G310 helixtrans-108.34.8178.2-67.8-171.112.200113.4R54 Y68 E69 A73 K74 H75R54-Q71 VanDerWaalsContact NH2-CD 3.32Å; Y68-Q71 CarbonylContact O-C 3.5Å; Y68-Q71 WeakPolarHBondContact O-CA 3.25Å; Y68-Q71 PolarHBondContact O-N 2.89Å; E69-Q71 PolarHBondContact O-N 3.27Å; Q71-A73 VanDerWaalsContact C-N 3.32Å; Q71-A73 PolarHBondContact O-N 2.85Å; Q71-K74 PolarHBondContact O-N 3.29Å; Q71-K74 VanDerWaalsContact O-N 3.07Å; Q71-H75 WeakPolarHBondContact O-CB 3.42Å; Q71-H75 PolarHBondContact O-N 3.13Å
72L92.2Very high88.7Confident40 Ų4081.8 Ų81.821%0.20941%0.407CS..Hα-helixtrans-53.1-48.6-176.317863.4000111.6I57 P60 V67 Y68 E69 K74 H75 L76I57-L72 HydrophobicContact CD1-CD1 4.34Å; I57-L72 HydrophobicContact CD1-CD2 3.97Å; P60-L72 HydrophobicContact CG-CD1 3.88Å; P60-L72 HydrophobicContact CG-CD2 4.32Å; V67-L72 HydrophobicContact CG1-CD1 3.75Å; Y68-L72 PolarHBondContact O-N 2.92Å; Y68-L72 VanDerWaalsContact O-N 3.11Å; E69-L72 WeakPolarHBondContact O-CB 3.16Å; E69-L72 PolarHBondContact O-N 3.18Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 2.86Å; L72-H75 CarbonylContact O-C 3.56Å; L72-H75 WeakPolarHBondContact O-CA 3.32Å; L72-H75 WeakPolarHBondContact O-CB 3.49Å; L72-H75 PolarHBondContact O-N 3.05Å; L72-H75 VanDerWaalsContact O-N 3.07Å; L72-L76 HydrophobicContact CD1-CD1 4.21Å; L72-L76 HydrophobicContact CD1-CD2 4.07Å; L72-L76 HydrophobicContact CD1-CG 3.93Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.19Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 2.78Å
73A92.3Very high88.4Confident72 Ų7287.4 Ų87.460%0.59543%0.432SS*.Hα-helixtrans-60.2-39.7-179.700000113.1Q71Q71-A73 VanDerWaalsContact C-N 3.32Å; Q71-A73 PolarHBondContact O-N 2.85Å
74K93.1Very high88.2Confident155 Ų15588.5 Ų88.567%0.67443%0.428SS*.Hα-helixtrans-70-38175.2-71-179.7-179.5174.50111.2Q71 L72 K77Q71-K74 PolarHBondContact O-N 3.29Å; Q71-K74 VanDerWaalsContact O-N 3.07Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 2.86Å; K74-K77 PolarHBondContact O-N 2.83Å
75H91.8Very high88.4Confident28 Ų2885.4 Ų85.413%0.1343%0.427CS..Hα-helixtrans-65.2-48177175.683.1000112.3C59 H65 V67 Q71 L72 K77 K78 C79C59-H75 PolarHBondContact SG-NE2 3.03Å; H65-H75 AromaticContact CD2-CE1 3.71Å; H65-H75 AromaticContact CD2-NE2 3.9Å; H65-H75 AromaticContact CE1-NE2 3.88Å; H65-H75 AromaticContact NE2-CE1 3.09Å; H65-H75 PolarHBondContact NE2-CE1 3.32Å; H65-H75 AromaticContact NE2-NE2 2.94Å; H65-H75 PolarHBondContact NE2-NE2 3.38Å; V67-H75 HydrophobicContact CB-CB 4.41Å; V67-H75 HydrophobicContact CG2-CB 3.36Å; V67-H75 VanDerWaalsContact CG2-CG 3.45Å; Q71-H75 WeakPolarHBondContact O-CB 3.42Å; Q71-H75 PolarHBondContact O-N 3.13Å; L72-H75 CarbonylContact O-C 3.56Å; L72-H75 WeakPolarHBondContact O-CA 3.32Å; L72-H75 WeakPolarHBondContact O-CB 3.49Å; L72-H75 PolarHBondContact O-N 3.05Å; L72-H75 VanDerWaalsContact O-N 3.07Å; H75-K77 PolarHBondContact O-N 3.17Å; H75-K77 VanDerWaalsContact O-N 3.09Å; H75-K78 CarbonylContact O-C 3.4Å; H75-K78 WeakPolarHBondContact O-CG 3.4Å; H75-K78 PolarHBondContact O-N 3.11Å; H75-C79 PolarHBondContact NE2-SG 3.46Å; H75-C79 WeakPolarHBondContact O-CB 3.31Å; H75-C79 PolarHBondContact O-N 3.12Å
76L91.5Very high88.7Confident57 Ų5788.1 Ų88.130%0.29844%0.438SS..Hα-helixtrans-55.5-31.8179.8-67.3175.4000111.7L61 L72 K78 R82L61-L76 HydrophobicContact CD1-CD2 3.54Å; L61-L76 HydrophobicContact CD2-CD2 4.29Å; L61-L76 HydrophobicContact CG-CD2 3.57Å; L72-L76 HydrophobicContact CD1-CD1 4.21Å; L72-L76 HydrophobicContact CD1-CD2 4.07Å; L72-L76 HydrophobicContact CD1-CG 3.93Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.19Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 2.78Å; L76-K78 VanDerWaalsContact C-N 3.33Å; L76-K78 PolarHBondContact O-N 2.94Å; L76-R82 WeakPolarHBondContact O-CD 3.32Å
77K90.8Very high89Confident157 Ų15788.2 Ų88.268%0.68344%0.44SS*.THydrogen-bonded Turntrans-72.7-16.1174.9-67.3-179.7-178.5-175.70115.2K74 H75 R82K74-K77 PolarHBondContact O-N 2.83Å; H75-K77 PolarHBondContact O-N 3.17Å; H75-K77 VanDerWaalsContact O-N 3.09Å; K77-R82 VanDerWaalsContact C-NH1 3.34Å; K77-R82 PolarHBondContact O-NH1 2.79Å; K77-R82 PolarHBondContact O-NH2 3.18Å
78K87.6Confident89.2Confident142 Ų14294.3 Ų94.362%0.61747%0.472SS*.THydrogen-bonded Turntrans-129.13.3-178.368.6-179.8178.7175.30113.7H75 L76 N80H75-K78 CarbonylContact O-C 3.4Å; H75-K78 WeakPolarHBondContact O-CG 3.4Å; H75-K78 PolarHBondContact O-N 3.11Å; L76-K78 VanDerWaalsContact C-N 3.33Å; L76-K78 PolarHBondContact O-N 2.94Å; K78-N80 PolarHBondContact O-N 3.25Å
79C87.6Confident89.4Confident8 Ų892.9 Ų92.95%0.05447%0.467CS..  trans-62.4131.7-179.1-172.20000109L61 H75 S81 R82L61-C79 HydrophobicContact CD1-CB 3.75Å; H75-C79 PolarHBondContact NE2-SG 3.46Å; H75-C79 WeakPolarHBondContact O-CB 3.31Å; H75-C79 PolarHBondContact O-N 3.12Å; C79-S81 PolarHBondContact O-N 3.19Å; C79-S81 PolarHBondContact SG-N 3.48Å; C79-R82 HydrophobicContact CB-CB 4.4Å; C79-R82 WeakPolarHBondContact O-CB 3.26Å; C79-R82 PolarHBondContact O-N 2.84Å
80N83.6Confident89.6Confident148 Ų14891 Ų9179%0.79146%0.456SS*.THydrogen-bonded Turntrans-64.6-25.3177-70.5-29.2000112.1K78 R82K78-N80 PolarHBondContact O-N 3.25Å; N80-R82 VanDerWaalsContact C-N 3.33Å
81S84.8Confident89.8Confident48 Ų4888.4 Ų88.434%0.33644%0.442SS..THydrogen-bonded Turntrans-87.50.9179.8-430000113.4D62 C79D62-S81 WeakPolarHBondContact CB-OG 3.49Å; D62-S81 PolarHBondContact OD2-OG 2.79Å; C79-S81 PolarHBondContact O-N 3.19Å; C79-S81 PolarHBondContact SG-N 3.48Å
82R87.3Confident90Very high113 Ų11391 Ų9143%0.42645%0.454SS..SBendtrans-66.8139.6171-178.9-174.555.9-171.5-9.7110.1L61 L76 K77 C79 N80 K84L61-R82 HydrophobicContact CD1-CB 3.89Å; L61-R82 HydrophobicContact CD1-CG 4.49Å; L76-R82 WeakPolarHBondContact O-CD 3.32Å; K77-R82 VanDerWaalsContact C-NH1 3.34Å; K77-R82 PolarHBondContact O-NH1 2.79Å; K77-R82 PolarHBondContact O-NH2 3.18Å; C79-R82 HydrophobicContact CB-CB 4.4Å; C79-R82 WeakPolarHBondContact O-CB 3.26Å; C79-R82 PolarHBondContact O-N 2.84Å; N80-R82 VanDerWaalsContact C-N 3.33Å; R82-K84 PolarHBondContact O-N 3.05Å
83E82.7Confident90.2Very high156 Ų15691.3 Ų91.373%0.72946%0.456SS*.PPolyproline II helixtrans-60.6120.6169.8-167.9168.9-16700110.4
84K81.9Confident90.4Very high114 Ų11490.4 Ų90.450%0.49644%0.441SS..PPolyproline II helixtrans-87.8147.5176.2-64.4180-174.5176.30108.8R82 K86R82-K84 PolarHBondContact O-N 3.05Å; K84-K86 PolarHBondContact O-N 3.41Å
85P86.6Confident90.5Very high126 Ų12683 Ų8382%0.81841%0.409SS*.PPolyproline II helixtrans-55.1132.4171.124-32.5000109.2
86K91Very high90.7Very high102 Ų10281.7 Ų81.744%0.44340%0.402SS..PPolyproline II helixtrans-72.7133-179.9-67.2169.1175.4-171.40108.3K84 Y90K84-K86 PolarHBondContact O-N 3.41Å; K86-Y90 HydrophobicContact CB-CD1 4.09Å; K86-Y90 HydrophobicContact CB-CD2 4.41Å; K86-Y90 HydrophobicContact CB-CG 3.94Å; K86-Y90 HydrophobicContact CD-CD1 3.72Å; K86-Y90 HydrophobicContact CD-CD2 4.45Å; K86-Y90 HydrophobicContact CD-CE1 3.52Å; K86-Y90 HydrophobicContact CD-CE2 4.25Å; K86-Y90 HydrophobicContact CD-CG 4.2Å; K86-Y90 HydrophobicContact CG-CD1 4.22Å; K86-Y90 HydrophobicContact CG-CD2 4.31Å; K86-Y90 HydrophobicContact CG-CE1 4.36Å; K86-Y90 HydrophobicContact CG-CE2 4.42Å; K86-Y90 HydrophobicContact CG-CG 4.21Å; K86-Y90 PolarHBondContact NZ-OH 3.05Å
87P91.1Very high90.5Very high48 Ų4880.1 Ų80.131%0.31240%0.4SS..PPolyproline II helixtrans-70.1162.8179.230-35.5000111.5F89 Y90 I240P87-F89 HydrophobicContact CB-CD1 4.09Å; P87-F89 HydrophobicContact CB-CD2 4.22Å; P87-F89 HydrophobicContact CB-CE1 3.6Å; P87-F89 HydrophobicContact CB-CE2 3.74Å; P87-F89 HydrophobicContact CB-CG 4.38Å; P87-F89 HydrophobicContact CB-CZ 3.38Å; P87-F89 HydrophobicContact CG-CD2 3.83Å; P87-F89 HydrophobicContact CG-CE1 4.14Å; P87-F89 HydrophobicContact CG-CE2 3.29Å; P87-F89 HydrophobicContact CG-CG 4.45Å; P87-F89 HydrophobicContact CG-CZ 3.45Å; P87-F89 VanDerWaalsContact CG-CZ 3.45Å; P87-F89 PolarHBondContact O-N 3.42Å; P87-F89 VanDerWaalsContact O-N 3.13Å; P87-Y90 WeakPolarHBondContact O-CB 3.24Å; P87-Y90 PolarHBondContact O-N 2.94Å; P87-I240 HydrophobicContact CG-CD1 4.48Å
88D92.5Very high90.1Very high138 Ų13879.6 Ų79.674%0.73840%0.404SS*.THydrogen-bonded Turntrans-57.7-32.8-176.8-64.5-22.4000113.5Y90 K249D88-Y90 PolarHBondContact O-N 2.83Å; D88-K249 WeakPolarHBondContact O-CD 3.46Å
89F94.4Very high89.6Confident27 Ų2780.5 Ų80.512%0.11841%0.408CS..THydrogen-bonded Turntrans-79.88.8177.354.1-101.7000114.4P87 L238 I240 L245 C246 K249 I250P87-F89 HydrophobicContact CB-CD1 4.09Å; P87-F89 HydrophobicContact CB-CD2 4.22Å; P87-F89 HydrophobicContact CB-CE1 3.6Å; P87-F89 HydrophobicContact CB-CE2 3.74Å; P87-F89 HydrophobicContact CB-CG 4.38Å; P87-F89 HydrophobicContact CB-CZ 3.38Å; P87-F89 HydrophobicContact CG-CD2 3.83Å; P87-F89 HydrophobicContact CG-CE1 4.14Å; P87-F89 HydrophobicContact CG-CE2 3.29Å; P87-F89 HydrophobicContact CG-CG 4.45Å; P87-F89 HydrophobicContact CG-CZ 3.45Å; P87-F89 VanDerWaalsContact CG-CZ 3.45Å; P87-F89 PolarHBondContact O-N 3.42Å; P87-F89 VanDerWaalsContact O-N 3.13Å; F89-L238 HydrophobicContact CD2-CD1 4.32Å; F89-L238 HydrophobicContact CE1-CD1 4.49Å; F89-L238 HydrophobicContact CE1-CD2 3.84Å; F89-L238 HydrophobicContact CE2-CB 4.16Å; F89-L238 HydrophobicContact CE2-CD1 4.08Å; F89-L238 HydrophobicContact CE2-CD2 4.29Å; F89-L238 HydrophobicContact CE2-CG 4.41Å; F89-L238 HydrophobicContact CZ-CB 4.21Å; F89-L238 HydrophobicContact CZ-CD1 4.19Å; F89-L238 HydrophobicContact CZ-CD2 3.62Å; F89-L238 HydrophobicContact CZ-CG 4.22Å; F89-I240 HydrophobicContact CD2-CD1 3.66Å; F89-I240 HydrophobicContact CE2-CB 4.27Å; F89-I240 HydrophobicContact CE2-CD1 3.79Å; F89-I240 HydrophobicContact CE2-CG2 4.18Å; F89-L245 HydrophobicContact CB-CD1 4.42Å; F89-L245 HydrophobicContact CD2-CD1 3.75Å; F89-L245 HydrophobicContact CE2-CD1 4.49Å; F89-L245 HydrophobicContact CG-CD1 4.39Å; F89-C246 PolarHBondContact O-N 2.77Å; F89-K249 HydrophobicContact CB-CB 3.96Å; F89-I250 HydrophobicContact CB-CG1 3.96Å; F89-I250 HydrophobicContact CD1-CG1 4.37Å; F89-I250 HydrophobicContact CG-CG1 4.23Å
90Y96.4Very high88.5Confident48 Ų4882.4 Ų82.419%0.18842%0.418CS..BIsolated β-bridgetrans-86123.1170.5-177.8-80.6000110.9K86 P87 D88 Q92 I240 H244K86-Y90 HydrophobicContact CB-CD1 4.09Å; K86-Y90 HydrophobicContact CB-CD2 4.41Å; K86-Y90 HydrophobicContact CB-CG 3.94Å; K86-Y90 HydrophobicContact CD-CD1 3.72Å; K86-Y90 HydrophobicContact CD-CD2 4.45Å; K86-Y90 HydrophobicContact CD-CE1 3.52Å; K86-Y90 HydrophobicContact CD-CE2 4.25Å; K86-Y90 HydrophobicContact CD-CG 4.2Å; K86-Y90 HydrophobicContact CG-CD1 4.22Å; K86-Y90 HydrophobicContact CG-CD2 4.31Å; K86-Y90 HydrophobicContact CG-CE1 4.36Å; K86-Y90 HydrophobicContact CG-CE2 4.42Å; K86-Y90 HydrophobicContact CG-CG 4.21Å; K86-Y90 PolarHBondContact NZ-OH 3.05Å; P87-Y90 WeakPolarHBondContact O-CB 3.24Å; P87-Y90 PolarHBondContact O-N 2.94Å; D88-Y90 PolarHBondContact O-N 2.83Å; Y90-Q92 HydrophobicContact CE1-CB 3.94Å; Y90-I240 HydrophobicContact CD2-CD1 4.12Å; Y90-I240 HydrophobicContact CD2-CG1 4.49Å; Y90-H244 WeakPolarHBondContact CA-O 3.05Å; Y90-H244 HydrophobicContact CD2-CB 3.66Å; Y90-H244 HydrophobicContact CE2-CB 3.48Å; Y90-H244 VanDerWaalsContact CE2-CB 3.48Å; Y90-H244 AromaticContact CE2-CD2 3.39Å; Y90-H244 WeakPolarHBondContact CE2-CD2 3.43Å; Y90-H244 AromaticContact CE2-CG 3.55Å; Y90-H244 HydrophobicContact CG-CB 4.34Å; Y90-H244 AromaticContact CZ-CD2 3.86Å; Y90-H244 AromaticContact CZ-CG 3.86Å
91I95.8Very high87.2Confident55 Ų5584.5 Ų84.528%0.28242%0.423SS..  trans-132.4118.1165.4-59.1-179.6000107.1D93 I94 H244 C246 K249I91-D93 PolarHBondContact O-N 2.61Å; I91-I94 HydrophobicContact CB-CB 3.99Å; I91-I94 HydrophobicContact CB-CD1 4.1Å; I91-I94 HydrophobicContact CB-CG1 4.45Å; I91-I94 HydrophobicContact CB-CG2 4.26Å; I91-I94 HydrophobicContact CD1-CD1 3.86Å; I91-I94 HydrophobicContact CG2-CB 3.9Å; I91-I94 HydrophobicContact CG2-CD1 4.12Å; I91-I94 HydrophobicContact CG2-CG1 4.17Å; I91-I94 PolarHBondContact O-N 3.02Å; I91-H244 PolarHBondContact N-O 2.6Å; I91-H244 CarbonylContact O-C 3.6Å; I91-H244 WeakPolarHBondContact O-CA 3.35Å; I91-H244 VanDerWaalsContact O-O 3.12Å; I91-C246 HydrophobicContact CB-CB 4.48Å; I91-C246 HydrophobicContact CD1-CB 3.69Å; I91-C246 HydrophobicContact CG1-CB 3.96Å; I91-K249 HydrophobicContact CD1-CD 4.13Å; I91-K249 HydrophobicContact CG1-CD 4.41Å
92Q95.8Very high85.8Confident129 Ų12986.5 Ų86.560%0.60343%0.433SS*.THydrogen-bonded Turntrans-56.7133.4-175.4-173.7169.7-700111Y90 I94Y90-Q92 HydrophobicContact CE1-CB 3.94Å; Q92-I94 PolarHBondContact O-N 3.4Å
93D95.5Very high84.4Confident47 Ų4788.6 Ų88.625%0.25145%0.448SS..THydrogen-bonded Turntrans51.917177.4-67.22.4000117.5I91 N95 A96 Q243 H244 R343I91-D93 PolarHBondContact O-N 2.61Å; D93-N95 PolarHBondContact O-N 3.31Å; D93-N95 VanDerWaalsContact O-N 3.11Å; D93-A96 HydrophobicContact CB-CB 3.8Å; D93-A96 VanDerWaalsContact O-CB 3.27Å; D93-A96 WeakPolarHBondContact O-CB 3.3Å; D93-A96 PolarHBondContact O-N 2.82Å; D93-Q243 CarbonylContact C-O 3.5Å; D93-Q243 PolarHBondContact OD1-NE2 2.93Å; D93-H244 PolarHBondContact N-ND1 2.75Å; D93-H244 IonicContact OD1-CE1 3.68Å; D93-H244 PolarHBondContact OD1-CE1 3.01Å; D93-H244 IonicContact OD1-ND1 3.06Å; D93-R343 IonicContact OD2-CZ 3.45Å; D93-R343 IonicContact OD2-NH2 3.72Å; D93-R343 PolarHBondContact OD2-NH2 3.3Å
94I95.9Very high83.4Confident52 Ų5284 Ų8427%0.26743%0.427SS..THydrogen-bonded Turntrans-59-31.5-173.9-159.5-175.9000113.6I91 Q92 Q243 C246 T282I91-I94 HydrophobicContact CB-CB 3.99Å; I91-I94 HydrophobicContact CB-CD1 4.1Å; I91-I94 HydrophobicContact CB-CG1 4.45Å; I91-I94 HydrophobicContact CB-CG2 4.26Å; I91-I94 HydrophobicContact CD1-CD1 3.86Å; I91-I94 HydrophobicContact CG2-CB 3.9Å; I91-I94 HydrophobicContact CG2-CD1 4.12Å; I91-I94 HydrophobicContact CG2-CG1 4.17Å; I91-I94 PolarHBondContact O-N 3.02Å; Q92-I94 PolarHBondContact O-N 3.4Å; I94-Q243 PolarHBondContact N-O 3.43Å; I94-C246 HydrophobicContact CD1-CB 4.12Å; I94-T282 HydrophobicContact CD1-CG2 3.95Å; I94-T282 HydrophobicContact CG1-CG2 3.74Å
95N96.9Very high82.5Confident0 Ų081.8 Ų81.80%043%0.425CS..THydrogen-bonded Turntrans-104.14.2177.9-58-50000112.8D93 G97 I242 Q243 L245 L274 R277 C278 T282D93-N95 PolarHBondContact O-N 3.31Å; D93-N95 VanDerWaalsContact O-N 3.11Å; N95-G97 PolarHBondContact O-N 2.98Å; N95-I242 PolarHBondContact ND2-O 3.29Å; N95-Q243 PolarHBondContact N-O 3Å; N95-Q243 VanDerWaalsContact N-O 3.09Å; N95-L245 PolarHBondContact ND2-O 3.48Å; N95-L274 HydrophobicContact CB-CD2 4.23Å; N95-L274 WeakPolarHBondContact O-CD2 3.42Å; N95-R277 HydrophobicContact CB-CB 4.33Å; N95-R277 PolarHBondContact O-NH1 3.06Å; N95-C278 WeakPolarHBondContact OD1-CA 3.14Å; N95-C278 PolarHBondContact OD1-N 3.28Å; N95-T282 WeakPolarHBondContact OD1-CG2 3.25Å; N95-T282 PolarHBondContact OD1-OG1 3.26Å
96A94Very high81.2Confident0 Ų085 Ų850%043%0.429CS..SBendtrans-69.5-16.1-173.600000113.5D93 Q243 R277 H344D93-A96 HydrophobicContact CB-CB 3.8Å; D93-A96 VanDerWaalsContact O-CB 3.27Å; D93-A96 WeakPolarHBondContact O-CB 3.3Å; D93-A96 PolarHBondContact O-N 2.82Å; A96-Q243 HydrophobicContact CB-CG 3.89Å; A96-R277 PolarHBondContact O-NH1 2.71Å; A96-R277 VanDerWaalsContact O-NH1 3.11Å; A96-H344 PolarHBondContact O-CD2 3.12Å
97G87.7Confident79.9Confident24 Ų2488.5 Ų88.525%0.24745%0.447CS..  trans78170.9-171.100000112N95 R277N95-G97 PolarHBondContact O-N 2.98Å; G97-R277 VanDerWaalsContact CA-CZ 3.45Å; G97-R277 VanDerWaalsContact N-NH1 3.17Å
98L82.9Confident79.4Confident146 Ų14688.4 Ų88.476%0.76444%0.443SS*.  trans-64.7138.5176.2-62.3174.3000110.3D100 K348L98-D100 PolarHBondContact O-N 3.09Å; L98-D100 VanDerWaalsContact O-N 3.13Å; L98-K348 PolarHBondContact O-NZ 3.22Å
99K76.4Confident79Confident162 Ų16284.8 Ų84.870%0.70443%0.426SS*.  trans-68.3106.9165-68.6-175.6-179.7-178.30106.7
100D66.1Low78.7Confident48 Ų4886.5 Ų86.526%0.25744%0.44SS..  trans-70.9129.3168.8-92.9-49.6000108.6L98 T102 K348 R352L98-D100 PolarHBondContact O-N 3.09Å; L98-D100 VanDerWaalsContact O-N 3.13Å; D100-T102 PolarHBondContact O-N 2.92Å; D100-K348 WeakPolarHBondContact OD2-CD 3.44Å; D100-K348 WeakPolarHBondContact OD2-CE 3.17Å; D100-K348 IonicContact OD2-NZ 3.84Å; D100-K348 PolarHBondContact OD2-NZ 3.11Å; D100-R352 IonicContact OD1-CZ 3.72Å; D100-R352 IonicContact OD1-NH2 2.83Å; D100-R352 PolarHBondContact OD1-NH2 2.95Å; D100-R352 IonicContact OD2-CZ 3.94Å; D100-R352 IonicContact OD2-NH2 3.12Å; D100-R352 PolarHBondContact OD2-NH2 3.31Å
101E54.5Low78.2Confident192 Ų19285.5 Ų85.590%0.89744%0.437SS*.SBendtrans-71-10.8171.6-64.6-171.6166.800112.7E103E101-E103 PolarHBondContact O-N 3.03Å
102T56.2Low77.7Confident90 Ų9086.3 Ų86.355%0.55245%0.448SS*.SBendtrans-767516756.40000108.9D100D100-T102 PolarHBondContact O-N 2.92Å
103E57.8Low77.4Confident157 Ų15783.7 Ų83.773%0.73444%0.444SS*.PPolyproline II helixtrans-57.1140.3174.8-68.5-175.2157.500110E101E101-E103 PolarHBondContact O-N 3.03Å
104I62.7Low77Confident59 Ų5982.7 Ų82.730%0.30344%0.439SS..PPolyproline II helixtrans-57.9125.6165.8-65.2171.9000105.9E106 L108 W342 A358I104-E106 PolarHBondContact O-N 3.01Å; I104-L108 HydrophobicContact CG2-CD1 3.2Å; I104-L108 HydrophobicContact CG2-CG 3.63Å; I104-W342 HydrophobicContact CD1-CB 4.4Å; I104-A358 HydrophobicContact CG1-CB 3.82Å
105P62Low76.8Confident68 Ų6883 Ų8344%0.44245%0.445SS..PPolyproline II helixtrans-51.3135.1179.7-24.432000110.3Q107 L108 V359P105-Q107 PolarHBondContact O-N 3.1Å; P105-L108 PolarHBondContact O-N 3.2Å; P105-V359 HydrophobicContact CG-CG2 4Å
106E60.3Low76.4Confident193 Ų19388.3 Ų88.390%0.90247%0.47SS*.THydrogen-bonded Turntrans-56.3-13.4-178.6-65.8-179.1152.600113.4I104I104-E106 PolarHBondContact O-N 3.01Å
107Q62Low76.3Confident176 Ų17695.7 Ų95.782%0.82250%0.504SS*.THydrogen-bonded Turntrans-112.237.5-174.6-64180-9.300114.4P105 V109P105-Q107 PolarHBondContact O-N 3.1Å; Q107-V109 PolarHBondContact O-N 3.42Å
108L80.9Confident76.5Confident45 Ų4599.2 Ų99.224%0.23652%0.515CS..PPolyproline II helixtrans-70121.6167.9-71.3-166.7000111I104 P105 V359 H362 Y363I104-L108 HydrophobicContact CG2-CD1 3.2Å; I104-L108 HydrophobicContact CG2-CG 3.63Å; P105-L108 PolarHBondContact O-N 3.2Å; L108-V359 HydrophobicContact CD2-CG1 4.01Å; L108-V359 HydrophobicContact CD2-CG2 4.36Å; L108-H362 HydrophobicContact CD1-CB 3.65Å; L108-H362 VanDerWaalsContact CD1-CD2 3.46Å; L108-H362 WeakPolarHBondContact CD1-CD2 3.25Å; L108-Y363 HydrophobicContact CD2-CE2 4.11Å
109V84.9Confident77Confident63 Ų6393.4 Ų93.438%0.38248%0.484SS..PPolyproline II helixtrans-86.6152175.4-59.80000111.5Q107 L114 Y363Q107-V109 PolarHBondContact O-N 3.42Å; V109-L114 HydrophobicContact CG2-CD2 3.72Å; V109-L114 HydrophobicContact CG2-CG 4.47Å; V109-Y363 WeakPolarHBondContact O-CE1 3.37Å; V109-Y363 PolarHBondContact O-OH 3.09Å; V109-Y363 VanDerWaalsContact O-OH 3.14Å
110P86.9Confident77.8Confident62 Ų6291.8 Ų91.840%0.40348%0.479SS..PPolyproline II helixtrans-55.8155.5171.1-23.934.5000112.7S112 S113P110-S112 PolarHBondContact O-N 3.38Å; P110-S113 WeakPolarHBondContact O-CB 3.46Å; P110-S113 PolarHBondContact O-N 2.75Å
111I86.8Confident79.2Confident27 Ų2796 Ų9614%0.13850%0.495CS..G310 helixtrans-58.6-35.7178.1-64.4165.3000111.6S113 L114 Y363 R366 M367 W370I111-S113 PolarHBondContact O-N 2.96Å; I111-L114 HydrophobicContact CG2-CD1 4.42Å; I111-L114 PolarHBondContact O-N 3.18Å; I111-Y363 HydrophobicContact CG1-CD1 3.97Å; I111-Y363 HydrophobicContact CG1-CE1 4.47Å; I111-R366 HydrophobicContact CD1-CB 3.46Å; I111-R366 VanDerWaalsContact CD1-CB 3.46Å; I111-R366 HydrophobicContact CG1-CB 4.4Å; I111-M367 HydrophobicContact CD1-CG 3.7Å; I111-W370 HydrophobicContact CD1-CZ2 4.42Å; I111-W370 HydrophobicContact CG2-CH2 4.32Å; I111-W370 HydrophobicContact CG2-CZ2 3.86Å
112S85.8Confident81.1Confident72 Ų7287.6 Ų87.650%0.50346%0.456SS..G310 helixtrans-63.6-17.3177.345.60000113.6P110P110-S112 PolarHBondContact O-N 3.38Å
113S88.4Confident83Confident74 Ų7483.9 Ų83.952%0.51743%0.433SS..G310 helixtrans-100.30.4179.2-500000113.7P110 I111P110-S113 WeakPolarHBondContact O-CB 3.46Å; P110-S113 PolarHBondContact O-N 2.75Å; I111-S113 PolarHBondContact O-N 2.96Å
114L88.4Confident84.9Confident27 Ų2783.9 Ų83.914%0.14143%0.431CS..SBendtrans-76.6142.5176.8-65.3176.8000110.9V109 I111 Q118 L122 Y363V109-L114 HydrophobicContact CG2-CD2 3.72Å; V109-L114 HydrophobicContact CG2-CG 4.47Å; I111-L114 HydrophobicContact CG2-CD1 4.42Å; I111-L114 PolarHBondContact O-N 3.18Å; L114-Q118 HydrophobicContact CB-CB 4.35Å; L114-Q118 HydrophobicContact CD2-CB 4.4Å; L114-L122 HydrophobicContact CD1-CD1 3.64Å; L114-Y363 HydrophobicContact CD1-CD1 4Å; L114-Y363 HydrophobicContact CD1-CE1 3.8Å; L114-Y363 HydrophobicContact CD2-CE1 4.17Å; L114-Y363 HydrophobicContact CG-CE1 4.3Å
115S90.9Very high86.5Confident57 Ų5784.6 Ų84.640%0.39943%0.431SS..  trans-67.7158.5168.275.60000111.2E117 Q118 L119S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 2.82Å; S115-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 VanDerWaalsContact O-N 3.14Å; S115-Q118 VanDerWaalsContact OG-CG 3.29Å; S115-Q118 WeakPolarHBondContact OG-CG 3.47Å; S115-Q118 PolarHBondContact OG-N 3.49Å; S115-Q118 PolarHBondContact OG-OE1 3.37Å; S115-L119 PolarHBondContact O-N 3.24Å
116E89.1Confident88.2Confident112 Ų11281.4 Ų81.452%0.52341%0.41SS..Hα-helixtrans-56.6-42.8177.4-64.7-176.2-179.500111.9Q118 L119 E120 L418E116-Q118 PolarHBondContact O-N 3.08Å; E116-L119 PolarHBondContact O-N 2.97Å; E116-E120 WeakPolarHBondContact O-CB 3.37Å; E116-E120 PolarHBondContact O-N 2.88Å; E116-L418 HydrophobicContact CB-CD2 4.18Å; E116-L418 HydrophobicContact CG-CD2 4.24Å
117E91.8Very high89.9Confident155 Ų15578.6 Ų78.672%0.72439%0.392SS*.Hα-helixtrans-61.7-41.8177.2-171.6-171.4170.900112.2S115 K121S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 2.82Å; E117-K121 VanDerWaalsContact O-CB 3.3Å; E117-K121 WeakPolarHBondContact O-CB 3.38Å; E117-K121 PolarHBondContact O-N 2.88Å
118Q92Very high91.6Very high99 Ų9977.2 Ų77.246%0.46338%0.383SS..Hα-helixtrans-64.7-44177.2-74174.3-34.900111.3L114 S115 E116 K121 L122L114-Q118 HydrophobicContact CB-CB 4.35Å; L114-Q118 HydrophobicContact CD2-CB 4.4Å; S115-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 VanDerWaalsContact O-N 3.14Å; S115-Q118 VanDerWaalsContact OG-CG 3.29Å; S115-Q118 WeakPolarHBondContact OG-CG 3.47Å; S115-Q118 PolarHBondContact OG-N 3.49Å; S115-Q118 PolarHBondContact OG-OE1 3.37Å; E116-Q118 PolarHBondContact O-N 3.08Å; Q118-K121 PolarHBondContact O-N 3.45Å; Q118-L122 WeakPolarHBondContact O-CG 3.4Å; Q118-L122 PolarHBondContact O-N 3.46Å
119L92.8Very high92.3Very high24 Ų2475.4 Ų75.413%0.12637%0.374CS..Hα-helixtrans-65.7-43.8178.3179.356.5000111.5S115 E116 K121 L122 I123 M367 W370 L418S115-L119 PolarHBondContact O-N 3.24Å; E116-L119 PolarHBondContact O-N 2.97Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.24Å; L119-L122 WeakPolarHBondContact O-CB 3.39Å; L119-L122 PolarHBondContact O-N 3.01Å; L119-I123 HydrophobicContact CD1-CD1 4.02Å; L119-I123 HydrophobicContact CD1-CG1 4.31Å; L119-I123 HydrophobicContact CG-CD1 3.93Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.82Å; L119-M367 HydrophobicContact CD1-SD 4.05Å; L119-W370 HydrophobicContact CD1-CH2 4.12Å; L119-L418 HydrophobicContact CD2-CD2 4.05Å
120E93.6Very high92.7Very high128 Ų12872.9 Ų72.960%0.59836%0.36SS*.Hα-helixtrans-61.5-42.1176.2-171.2178.6-178.100111.4E116 L122 I123 K124E116-E120 WeakPolarHBondContact O-CB 3.37Å; E116-E120 PolarHBondContact O-N 2.88Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.42Å; E120-I123 PolarHBondContact O-N 3.48Å; E120-K124 WeakPolarHBondContact O-CB 3.5Å; E120-K124 PolarHBondContact O-N 2.82Å
121K95Very high93Very high135 Ų13576.9 Ų76.959%0.58737%0.373SS*.Hα-helixtrans-60.5-41.6175-173.1176.6-177.1175.80112.2E117 Q118 L119 K124 K125E117-K121 VanDerWaalsContact O-CB 3.3Å; E117-K121 WeakPolarHBondContact O-CB 3.38Å; E117-K121 PolarHBondContact O-N 2.88Å; Q118-K121 PolarHBondContact O-N 3.45Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.24Å; K121-K124 PolarHBondContact O-N 3Å; K121-K125 WeakPolarHBondContact O-CG 3.36Å; K121-K125 PolarHBondContact O-N 3.35Å
122L95.6Very high92.9Very high16 Ų1679.8 Ų79.88%0.08441%0.41CS..Hα-helixtrans-63.6-44.7174.7-74170000111.6L114 Q118 L119 E120 K124 K125 L126 Y363 F364 M367L114-L122 HydrophobicContact CD1-CD1 3.64Å; Q118-L122 WeakPolarHBondContact O-CG 3.4Å; Q118-L122 PolarHBondContact O-N 3.46Å; L119-L122 WeakPolarHBondContact O-CB 3.39Å; L119-L122 PolarHBondContact O-N 3.01Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.42Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.89Å; L122-K125 PolarHBondContact O-N 2.96Å; L122-L126 WeakPolarHBondContact O-CB 3.27Å; L122-L126 PolarHBondContact O-N 2.83Å; L122-Y363 HydrophobicContact CD1-CD1 4.25Å; L122-Y363 HydrophobicContact CD1-CD2 3.91Å; L122-Y363 HydrophobicContact CD1-CG 3.76Å; L122-Y363 HydrophobicContact CD2-CD2 4.02Å; L122-Y363 HydrophobicContact CD2-CG 4.39Å; L122-F364 HydrophobicContact CD2-CE1 4.44Å; L122-M367 HydrophobicContact CB-CE 4.47Å
123I95.5Very high93Very high13 Ų1377.9 Ų77.97%0.06739%0.394CS..Hα-helixtrans-64.7-39.5178.2-68164.5000110.8L119 E120 L126 R127 L419 I427L119-I123 HydrophobicContact CD1-CD1 4.02Å; L119-I123 HydrophobicContact CD1-CG1 4.31Å; L119-I123 HydrophobicContact CG-CD1 3.93Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.82Å; E120-I123 PolarHBondContact O-N 3.48Å; I123-L126 WeakPolarHBondContact O-CB 3.21Å; I123-L126 PolarHBondContact O-N 2.93Å; I123-R127 HydrophobicContact CG2-CG 4.38Å; I123-R127 WeakPolarHBondContact O-CB 3.09Å; I123-R127 WeakPolarHBondContact O-CG 3.35Å; I123-R127 PolarHBondContact O-N 2.9Å; I123-L419 HydrophobicContact CD1-CD1 3.72Å; I123-L419 HydrophobicContact CD1-CD2 4.37Å; I123-I427 HydrophobicContact CD1-CD1 3.78Å; I123-I427 HydrophobicContact CG1-CD1 4.08Å; I123-I427 HydrophobicContact CG2-CD1 4.28Å
124K96.6Very high92.6Very high157 Ų15779.3 Ų79.368%0.68340%0.396SS*.Hα-helixtrans-63.3-43.6175.5-172.6174.5-178174.30111.6E120 K121 L122 R127 K128E120-K124 WeakPolarHBondContact O-CB 3.5Å; E120-K124 PolarHBondContact O-N 2.82Å; K121-K124 PolarHBondContact O-N 3Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.89Å; K124-R127 PolarHBondContact O-N 3.03Å; K124-K128 WeakPolarHBondContact O-CB 3.31Å; K124-K128 PolarHBondContact O-N 3.1Å
125K97.4Very high91.8Very high73 Ų7381.9 Ų81.932%0.31742%0.416SS..Hα-helixtrans-59.7-46.3172.8-77.7-177.7172-176.60111.6K121 L122 K128 A129 L356 E360 F364K121-K125 WeakPolarHBondContact O-CG 3.36Å; K121-K125 PolarHBondContact O-N 3.35Å; L122-K125 PolarHBondContact O-N 2.96Å; K125-K128 PolarHBondContact O-N 3.26Å; K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 2.95Å; K125-L356 HydrophobicContact CB-CD2 4.27Å; K125-E360 HydrophobicContact CD-CG 3.95Å; K125-E360 IonicContact NZ-OE1 2.88Å; K125-E360 PolarHBondContact NZ-OE1 3.49Å; K125-F364 HydrophobicContact CB-CZ 4.27Å
126L97.3Very high91.4Very high1 Ų183.6 Ų83.61%0.00542%0.424CS..Hα-helixtrans-59.4-49.5177.1175.766.3000111.6L122 I123 K128 A129 S130 F364 I427 L430 C431 L434L122-L126 WeakPolarHBondContact O-CB 3.27Å; L122-L126 PolarHBondContact O-N 2.83Å; I123-L126 WeakPolarHBondContact O-CB 3.21Å; I123-L126 PolarHBondContact O-N 2.93Å; L126-K128 PolarHBondContact O-N 2.89Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-S130 WeakPolarHBondContact O-CB 3.38Å; L126-S130 PolarHBondContact O-N 3.37Å; L126-S130 PolarHBondContact O-OG 3.29Å; L126-S130 VanDerWaalsContact O-OG 3.1Å; L126-F364 HydrophobicContact CB-CD1 4.49Å; L126-F364 HydrophobicContact CB-CE1 3.83Å; L126-F364 HydrophobicContact CB-CE2 4.28Å; L126-F364 HydrophobicContact CB-CZ 3.71Å; L126-F364 HydrophobicContact CD1-CD2 4.1Å; L126-F364 HydrophobicContact CD1-CE2 4.1Å; L126-F364 HydrophobicContact CD1-CG 4.31Å; L126-F364 HydrophobicContact CD1-CZ 4.33Å; L126-I427 HydrophobicContact CD2-CG2 3.82Å; L126-L430 HydrophobicContact CD1-CB 4.46Å; L126-L430 HydrophobicContact CD2-CB 4.11Å; L126-L430 HydrophobicContact CG-CB 4.32Å; L126-C431 WeakPolarHBondContact CD2-SG 3.42Å; L126-L434 HydrophobicContact CD1-CB 4.4Å; L126-L434 HydrophobicContact CD1-CD2 3.75Å
127R96.1Very high91.4Very high134 Ų13479.4 Ų79.451%0.50641%0.405SS..Hα-helixtrans-59.3-47.2179.4-73.9180-176-159.84111I123 K124 S130 E131I123-R127 HydrophobicContact CG2-CG 4.38Å; I123-R127 WeakPolarHBondContact O-CB 3.09Å; I123-R127 WeakPolarHBondContact O-CG 3.35Å; I123-R127 PolarHBondContact O-N 2.9Å; K124-R127 PolarHBondContact O-N 3.03Å; R127-S130 CarbonylContact O-C 3.55Å; R127-S130 PolarHBondContact O-N 3.45Å; R127-S130 VanDerWaalsContact O-N 3.16Å; R127-E131 PolarHBondContact O-N 2.86Å; R127-E131 VanDerWaalsContact O-N 3.12Å
128K96.8Very high91.4Very high147 Ų14779.3 Ų79.364%0.63940%0.402SS*.Hα-helixtrans-59.5-47.1176.5-174.5-177.4178.8-174.60112.1K124 K125 L126 S130 E131K124-K128 WeakPolarHBondContact O-CB 3.31Å; K124-K128 PolarHBondContact O-N 3.1Å; K125-K128 PolarHBondContact O-N 3.26Å; L126-K128 PolarHBondContact O-N 2.89Å; K128-S130 PolarHBondContact O-N 2.98Å; K128-E131 WeakPolarHBondContact O-CB 3.26Å; K128-E131 PolarHBondContact O-N 3.4Å
129A96.1Very high91.3Very high7 Ų780.2 Ų80.26%0.05841%0.41CS..Hα-helixtrans-65.3-23.6178.600000113.3K125 L126 L354 L356 L434K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 2.95Å; L126-A129 PolarHBondContact O-N 2.9Å; A129-L354 HydrophobicContact CB-CB 4.45Å; A129-L354 HydrophobicContact CB-CD1 4.1Å; A129-L356 HydrophobicContact CB-CD1 3.7Å; A129-L356 HydrophobicContact CB-CG 4.46Å; A129-L434 HydrophobicContact CB-CD1 4.1Å; A129-L434 HydrophobicContact CB-CD2 4.01Å
130S94.7Very high91.3Very high11 Ų1181.7 Ų81.78%0.07742%0.417CS..THydrogen-bonded Turntrans-96.53177.4-620000113.7L126 R127 K128 G132 L133L126-S130 WeakPolarHBondContact O-CB 3.38Å; L126-S130 PolarHBondContact O-N 3.37Å; L126-S130 PolarHBondContact O-OG 3.29Å; L126-S130 VanDerWaalsContact O-OG 3.1Å; R127-S130 CarbonylContact O-C 3.55Å; R127-S130 PolarHBondContact O-N 3.45Å; R127-S130 VanDerWaalsContact O-N 3.16Å; K128-S130 PolarHBondContact O-N 2.98Å; S130-G132 PolarHBondContact O-N 3.27Å; S130-L133 WeakPolarHBondContact O-CB 3.34Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-L133 VanDerWaalsContact O-N 3.14Å
131E92.1Very high91.3Very high145 Ų14579.5 Ų79.568%0.67841%0.408SS*.THydrogen-bonded Turntrans-60.3130.5174.8-76.7169.1-166.600110.1R127 K128 L133R127-E131 PolarHBondContact O-N 2.86Å; R127-E131 VanDerWaalsContact O-N 3.12Å; K128-E131 WeakPolarHBondContact O-CB 3.26Å; K128-E131 PolarHBondContact O-N 3.4Å; E131-L133 PolarHBondContact O-N 2.81Å
132G84.5Confident91.3Very high88 Ų8876.4 Ų76.491%0.90740%0.396SS*.THydrogen-bonded Turntrans79.1-5-177.900000115.1S130S130-G132 PolarHBondContact O-N 3.27Å
133L87.9Confident91.3Very high33 Ų3379.4 Ų79.417%0.17342%0.419CS..  trans-72.6132.3169.4-58.3-171.6000109.9S130 E131 S135 L433 L434 Q437S130-L133 WeakPolarHBondContact O-CB 3.34Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-L133 VanDerWaalsContact O-N 3.14Å; E131-L133 PolarHBondContact O-N 2.81Å; L133-S135 PolarHBondContact O-N 3.36Å; L133-L433 HydrophobicContact CB-CD2 4.01Å; L133-L433 HydrophobicContact CD1-CG 4.32Å; L133-L434 HydrophobicContact CD1-CD1 4.03Å; L133-Q437 HydrophobicContact CD1-CB 4.31Å; L133-Q437 HydrophobicContact CD1-CG 4.46Å; L133-Q437 HydrophobicContact CD2-CB 4.45Å; L133-Q437 HydrophobicContact CD2-CG 3.75Å
134N79.8Confident91.4Very high104 Ų10479.4 Ų79.456%0.55642%0.418SS*.  trans-69.1104172.8-178.314.1000109.3T136N134-T136 VanDerWaalsContact CG-O 3.27Å; N134-T136 PolarHBondContact ND2-O 3.46Å; N134-T136 PolarHBondContact O-N 3.39Å; N134-T136 PolarHBondContact OD1-N 2.93Å; N134-T136 PolarHBondContact OD1-O 3.22Å
135S73.1Confident91.3Very high81 Ų8176.6 Ų76.657%0.56642%0.416SS*.SBendtrans-66.3-15.7-178.758.10000113.8L133L133-S135 PolarHBondContact O-N 3.36Å
136T82.6Confident91.2Very high93 Ų9374.3 Ų74.357%0.57141%0.411SS*.SBendtrans-117.5106.3-177.6-52.80000110.1N134N134-T136 VanDerWaalsContact CG-O 3.27Å; N134-T136 PolarHBondContact ND2-O 3.46Å; N134-T136 PolarHBondContact O-N 3.39Å; N134-T136 PolarHBondContact OD1-N 2.93Å; N134-T136 PolarHBondContact OD1-O 3.22Å
137L88.7Confident91.1Very high24 Ų2474.3 Ų74.313%0.12641%0.411CS..PPolyproline II helixtrans-71.3153.6172.9-54.9179.4000110.6L433 L452 Y454 V465L137-L433 HydrophobicContact CD2-CD1 4.31Å; L137-L452 HydrophobicContact CD1-CB 3.91Å; L137-L452 HydrophobicContact CD2-CB 3.75Å; L137-L452 HydrophobicContact CG-CB 4.45Å; L137-Y454 HydrophobicContact CB-CD2 3.84Å; L137-Y454 HydrophobicContact CB-CE1 4.48Å; L137-Y454 HydrophobicContact CB-CE2 3.68Å; L137-Y454 HydrophobicContact CB-CG 4.31Å; L137-Y454 HydrophobicContact CD1-CD1 4.46Å; L137-Y454 HydrophobicContact CD1-CE1 4.14Å; L137-Y454 HydrophobicContact CG-CE2 4.39Å; L137-Y454 WeakPolarHBondContact O-CD2 3.33Å; L137-V465 HydrophobicContact CD1-CB 4.4Å; L137-V465 HydrophobicContact CD1-CG1 3.69Å; L137-V465 HydrophobicContact CD1-CG2 3.83Å
138K91.1Very high90.9Very high153 Ų15373.2 Ų73.267%0.66541%0.411SS*.EExtended strand (participates in β ladder)trans-73.2140.9175.9-66.4-178.7-179.9178.30110.3H140 Q453 Y454K138-H140 PolarHBondContact O-N 3.43Å; K138-Q453 WeakPolarHBondContact O-CA 3.13Å; K138-Q453 WeakPolarHBondContact O-CB 3.44Å; K138-Y454 PolarHBondContact O-N 2.99Å
139D91.1Very high90.7Very high117 Ų11772.7 Ų72.763%0.62642%0.415SS*.EExtended strand (participates in β ladder)trans-76121.4171.2-66.5-42.3000110.6Y454D139-Y454 WeakPolarHBondContact OD1-CB 3.36Å; D139-Y454 WeakPolarHBondContact OD1-CD2 3.45Å
140H91.8Very high90.5Very high56 Ų5673.5 Ų73.526%0.25942%0.422SS..  trans-135.958.1174.3-78.1-41.6000109.9K138 M142 N173 K176 Q453 Y454K138-H140 PolarHBondContact O-N 3.43Å; H140-M142 PolarHBondContact O-N 3.3Å; H140-N173 PolarHBondContact O-ND2 2.74Å; H140-K176 PolarHBondContact ND1-NZ 2.89Å; H140-Q453 HydrophobicContact CB-CB 4.18Å; H140-Q453 HydrophobicContact CB-CG 4.28Å; H140-Q453 PolarHBondContact CD2-OE1 2.89Å; H140-Y454 CarbonylContact C-O 3.56Å; H140-Y454 VanDerWaalsContact C-O 3.31Å; H140-Y454 PolarHBondContact N-O 3.28Å
141I94.2Very high90.4Very high82 Ų8275 Ų7542%0.42143%0.429SS..  trans-77.4107.1173.5-52.3177.4000107.8D457I141-D457 HydrophobicContact CD1-CB 4.43Å
142M94.8Very high90.4Very high69 Ų6973.1 Ų73.134%0.3442%0.424SS..  trans-103.6173.6178.2-57.7-77.281.900109.9H140 S169 N173 K176H140-M142 PolarHBondContact O-N 3.3Å; M142-S169 PolarHBondContact N-OG 2.95Å; M142-S169 VanDerWaalsContact N-OG 3.11Å; M142-S169 WeakPolarHBondContact O-CA 3.39Å; M142-S169 WeakPolarHBondContact O-CB 2.79Å; M142-N173 WeakPolarHBondContact CG-ND2 3.28Å; M142-K176 HydrophobicContact SD-CD 4.12Å
143S95.4Very high90.8Very high79 Ų7972.1 Ų72.155%0.55240%0.398SS*.  trans-148.8141.1165.6-171.60000108.2
144H97.1Very high90.8Very high13 Ų1376.5 Ų76.56%0.0643%0.428CS..  trans-107.7135.2-179-170.8-81.7000110.9A146 L147 A168 L171 E175 A203H144-A146 WeakPolarHBondContact ND1-CB 3.31Å; H144-A146 PolarHBondContact ND1-N 3.46Å; H144-A146 PolarHBondContact O-N 3.23Å; H144-A146 VanDerWaalsContact O-N 3.09Å; H144-L147 PolarHBondContact O-N 3.32Å; H144-L147 VanDerWaalsContact O-N 3.08Å; H144-A168 PolarHBondContact N-O 3.17Å; H144-L171 HydrophobicContact CB-CB 4.02Å; H144-L171 HydrophobicContact CB-CD2 3.81Å; H144-L171 HydrophobicContact CB-CG 3.74Å; H144-E175 IonicContact CD2-OE2 2.94Å; H144-E175 PolarHBondContact CD2-OE2 2.83Å; H144-E175 IonicContact NE2-OE1 3.99Å; H144-E175 IonicContact NE2-OE2 2.66Å; H144-E175 PolarHBondContact NE2-OE2 3.02Å; H144-A203 WeakPolarHBondContact CE1-CB 3.36Å
145P95.4Very high91.3Very high99 Ų9980.1 Ų80.164%0.64344%0.439SS*.G310 helixtrans-55.3-30.1-177.8-2835.3000114.9L147 H148P145-L147 PolarHBondContact O-N 3.48Å; P145-H148 VanDerWaalsContact O-CB 3.25Å; P145-H148 WeakPolarHBondContact O-CB 3.33Å; P145-H148 PolarHBondContact O-N 2.97Å
146A94.2Very high92Very high25 Ų2578.7 Ų78.721%0.20743%0.425CS..G310 helixtrans-55-22176.600000114.7H144 L171 W199 I202 A203H144-A146 WeakPolarHBondContact ND1-CB 3.31Å; H144-A146 PolarHBondContact ND1-N 3.46Å; H144-A146 PolarHBondContact O-N 3.23Å; H144-A146 VanDerWaalsContact O-N 3.09Å; A146-L171 HydrophobicContact CB-CD2 4.15Å; A146-W199 WeakPolarHBondContact O-CZ3 3.48Å; A146-I202 HydrophobicContact CB-CB 4.43Å; A146-I202 HydrophobicContact CB-CG2 3.82Å; A146-A203 HydrophobicContact CB-CB 4.29Å
147L94.9Very high92.2Very high0 Ų076.4 Ų76.40%042%0.42CS..G310 helixtrans-103.52.9177-70.987.4000113.3H144 P145 D149 A150 L151 L164 Q167 A168 L171 W199H144-L147 PolarHBondContact O-N 3.32Å; H144-L147 VanDerWaalsContact O-N 3.08Å; P145-L147 PolarHBondContact O-N 3.48Å; L147-D149 PolarHBondContact O-N 2.95Å; L147-A150 PolarHBondContact O-N 3.39Å; L147-L151 HydrophobicContact CB-CD1 4.07Å; L147-L151 HydrophobicContact CB-CG 4.29Å; L147-L151 WeakPolarHBondContact O-CB 3.48Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.48Å; L147-L164 HydrophobicContact CD2-CD2 4.2Å; L147-Q167 HydrophobicContact CD2-CB 3.91Å; L147-A168 HydrophobicContact CB-CB 4.09Å; L147-A168 HydrophobicContact CD1-CB 4.38Å; L147-A168 HydrophobicContact CD2-CB 3.98Å; L147-A168 HydrophobicContact CG-CB 4.36Å; L147-L171 HydrophobicContact CD1-CD2 3.54Å; L147-W199 HydrophobicContact CD1-CB 3.83Å; L147-W199 HydrophobicContact CD1-CD2 3.9Å; L147-W199 HydrophobicContact CD1-CE3 4.02Å; L147-W199 HydrophobicContact CD1-CG 3.81Å; L147-W199 HydrophobicContact CD2-CD2 3.74Å; L147-W199 HydrophobicContact CD2-CE3 4.36Å; L147-W199 HydrophobicContact CD2-CG 3.8Å; L147-W199 HydrophobicContact CD2-CZ2 4.35Å; L147-W199 HydrophobicContact CG-CB 4.39Å; L147-W199 HydrophobicContact CG-CD2 3.49Å; L147-W199 VanDerWaalsContact CG-CD2 3.49Å; L147-W199 HydrophobicContact CG-CE3 3.63Å; L147-W199 HydrophobicContact CG-CG 3.82Å; L147-W199 HydrophobicContact CG-CZ2 4.4Å; L147-W199 HydrophobicContact CG-CZ3 4.16Å
148H92.7Very high92Very high112 Ų11280.8 Ų80.852%0.51944%0.443SS..Hα-helixtrans-56.7-52.5-172.2-174.478.8000112.3P145 A150 L151 N152P145-H148 VanDerWaalsContact O-CB 3.25Å; P145-H148 WeakPolarHBondContact O-CB 3.33Å; P145-H148 PolarHBondContact O-N 2.97Å; H148-A150 VanDerWaalsContact C-N 3.34Å; H148-A150 PolarHBondContact O-N 3.46Å; H148-L151 PolarHBondContact O-N 3.23Å; H148-N152 PolarHBondContact CE1-ND2 3.35Å; H148-N152 VanDerWaalsContact CE1-ND2 3.27Å; H148-N152 PolarHBondContact NE2-ND2 2.73Å; H148-N152 VanDerWaalsContact NE2-ND2 3.16Å; H148-N152 PolarHBondContact O-N 2.77Å; H148-N152 VanDerWaalsContact O-N 3.16Å; H148-N152 PolarHBondContact O-ND2 3.44Å
149D92.8Very high91.8Very high135 Ų13577.2 Ų77.272%0.72244%0.438SS*.Hα-helixtrans-63.2-43.1179.5-60.7-18.7000111.2L147 L151 N152 D153L147-D149 PolarHBondContact O-N 2.95Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 2.97Å; D149-N152 PolarHBondContact O-N 2.89Å; D149-D153 PolarHBondContact O-N 3.09Å; D149-D153 VanDerWaalsContact O-N 3.07Å
150A92.6Very high91.7Very high24 Ų2473.3 Ų73.320%0.19842%0.422CS..Hα-helixtrans-64.8-35.4179.400000112.3L147 H148 N152 N156 L164 W199L147-A150 PolarHBondContact O-N 3.39Å; H148-A150 VanDerWaalsContact C-N 3.34Å; H148-A150 PolarHBondContact O-N 3.46Å; A150-N152 VanDerWaalsContact C-N 3.33Å; A150-N156 PolarHBondContact O-ND2 3.5Å; A150-L164 HydrophobicContact CB-CD2 4.17Å; A150-L164 VanDerWaalsContact O-CD1 3.31Å; A150-L164 WeakPolarHBondContact O-CD1 3.11Å; A150-W199 HydrophobicContact CB-CH2 3.4Å; A150-W199 HydrophobicContact CB-CZ2 3.9Å; A150-W199 HydrophobicContact CB-CZ3 4.22Å
151L92.4Very high91.7Very high42 Ų4271.9 Ų71.922%0.2242%0.419CS..Hα-helixtrans-69.8-31.1176.4-79.7164.6000112.6L147 H148 D149 L164 K165 A168L147-L151 HydrophobicContact CB-CD1 4.07Å; L147-L151 HydrophobicContact CB-CG 4.29Å; L147-L151 WeakPolarHBondContact O-CB 3.48Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.48Å; H148-L151 PolarHBondContact O-N 3.23Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 2.97Å; L151-L164 HydrophobicContact CD2-CB 3.59Å; L151-L164 HydrophobicContact CG-CB 4.27Å; L151-K165 HydrophobicContact CD2-CG 3.78Å; L151-A168 HydrophobicContact CD1-CB 3.93Å
152N92.2Very high91.6Very high106 Ų10672.6 Ų72.657%0.56742%0.42SS*.Hα-helixtrans-94.80.6-177-66.7-33.7000113.5H148 D149 A150 P154H148-N152 PolarHBondContact CE1-ND2 3.35Å; H148-N152 VanDerWaalsContact CE1-ND2 3.27Å; H148-N152 PolarHBondContact NE2-ND2 2.73Å; H148-N152 VanDerWaalsContact NE2-ND2 3.16Å; H148-N152 PolarHBondContact O-N 2.77Å; H148-N152 VanDerWaalsContact O-N 3.16Å; H148-N152 PolarHBondContact O-ND2 3.44Å; D149-N152 PolarHBondContact O-N 2.89Å; A150-N152 VanDerWaalsContact C-N 3.33Å; N152-P154 VanDerWaalsContact O-CD 3.32Å; N152-P154 WeakPolarHBondContact O-CD 3.47Å
153D92.4Very high91.5Very high67 Ų6771.9 Ų71.936%0.35842%0.415SS..  trans-65.1116.9177.1-173.5-17.3000110.2D149 K155 N156D149-D153 PolarHBondContact O-N 3.09Å; D149-D153 VanDerWaalsContact O-N 3.07Å; D153-K155 PolarHBondContact O-N 3.13Å; D153-K155 VanDerWaalsContact O-N 3.12Å; D153-K155 VanDerWaalsContact OD1-CB 3.26Å; D153-K155 WeakPolarHBondContact OD1-CB 3.39Å; D153-K155 WeakPolarHBondContact OD1-CG 3.1Å; D153-K155 PolarHBondContact OD1-N 3.43Å; D153-N156 WeakPolarHBondContact O-CB 3.46Å; D153-N156 PolarHBondContact O-N 3.44Å; D153-N156 VanDerWaalsContact O-N 3.12Å; D153-N156 PolarHBondContact O-ND2 3.11Å; D153-N156 VanDerWaalsContact O-ND2 3.15Å
154P88.1Confident91.6Very high126 Ų12668.9 Ų68.982%0.81839%0.393SS*.THydrogen-bonded Turntrans-67.1-11.8-178.329.2-36.8000113.3N152 N156N152-P154 VanDerWaalsContact O-CD 3.32Å; N152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-N156 VanDerWaalsContact C-N 3.28Å
155K90.9Very high91.5Very high179 Ų17973.4 Ų73.478%0.77841%0.412SS*.THydrogen-bonded Turntrans-78.7-12.2175.7-61.6176-178.81750112.9D153 G157D153-K155 PolarHBondContact O-N 3.13Å; D153-K155 VanDerWaalsContact O-N 3.12Å; D153-K155 VanDerWaalsContact OD1-CB 3.26Å; D153-K155 WeakPolarHBondContact OD1-CB 3.39Å; D153-K155 WeakPolarHBondContact OD1-CG 3.1Å; D153-K155 PolarHBondContact OD1-N 3.43Å; K155-G157 PolarHBondContact O-N 2.66Å
156N87.3Confident91.5Very high51 Ų5169 Ų6927%0.27338%0.383SS..  trans-69124.8179-71.8-42.5000111.6A150 D153 P154 A160A150-N156 PolarHBondContact O-ND2 3.5Å; D153-N156 WeakPolarHBondContact O-CB 3.46Å; D153-N156 PolarHBondContact O-N 3.44Å; D153-N156 VanDerWaalsContact O-N 3.12Å; D153-N156 PolarHBondContact O-ND2 3.11Å; D153-N156 VanDerWaalsContact O-ND2 3.15Å; P154-N156 VanDerWaalsContact C-N 3.28Å; N156-A160 HydrophobicContact CB-CB 4.3Å
157G86.7Confident91.7Very high45 Ų4567.9 Ų67.946%0.46437%0.374SS..  trans-72165.5162.900000112.5K155 S159 A160 A161K155-G157 PolarHBondContact O-N 2.66Å; G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.96Å; G157-S159 VanDerWaalsContact O-N 3.15Å; G157-A160 WeakPolarHBondContact O-CB 3.37Å; G157-A160 PolarHBondContact O-N 2.94Å; G157-A161 PolarHBondContact O-N 2.92Å
158D84.9Confident91.8Very high116 Ų11667.9 Ų67.962%0.6237%0.374SS*.Hα-helixtrans-53-39.7-177.5-62.3-43.3000113.4A161 K162 R389D158-A161 PolarHBondContact O-N 3.24Å; D158-K162 WeakPolarHBondContact O-CG 3.33Å; D158-K162 PolarHBondContact O-N 2.93Å; D158-R389 IonicContact OD2-NH2 2.66Å
159S86.4Confident92.1Very high78 Ų7862.6 Ų62.655%0.54535%0.35SS..Hα-helixtrans-65.8-45178-179.40000112.3G157 A161 K162 H163G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.96Å; G157-S159 VanDerWaalsContact O-N 3.15Å; S159-A161 PolarHBondContact O-N 3.29Å; S159-K162 PolarHBondContact O-N 2.98Å; S159-H163 PolarHBondContact O-CD2 2.94Å; S159-H163 VanDerWaalsContact O-CD2 3.3Å; S159-H163 PolarHBondContact O-N 2.96Å; S159-H163 VanDerWaalsContact O-N 3.07Å
160A88.8Confident92.3Very high35 Ų3556.1 Ų56.129%0.28932%0.315SS..Hα-helixtrans-62.6-4517700000110.7N156 G157 K162 H163 L164N156-A160 HydrophobicContact CB-CB 4.3Å; G157-A160 WeakPolarHBondContact O-CB 3.37Å; G157-A160 PolarHBondContact O-N 2.94Å; A160-K162 VanDerWaalsContact C-N 3.35Å; A160-K162 PolarHBondContact O-N 2.78Å; A160-H163 PolarHBondContact O-N 3.13Å; A160-L164 VanDerWaalsContact O-CG 3.31Å; A160-L164 WeakPolarHBondContact O-CG 3.21Å; A160-L164 PolarHBondContact O-N 3.32Å
161A91.4Very high92.6Very high26 Ų2655 Ų5522%0.21531%0.306CS..Hα-helixtrans-58.6-43.7176.600000112.2G157 D158 S159 H163 L164 K165G157-A161 PolarHBondContact O-N 2.92Å; D158-A161 PolarHBondContact O-N 3.24Å; S159-A161 PolarHBondContact O-N 3.29Å; A161-H163 PolarHBondContact O-N 3.23Å; A161-L164 PolarHBondContact O-N 3.04Å; A161-K165 WeakPolarHBondContact O-CG 3.42Å; A161-K165 PolarHBondContact O-N 3.42Å
162K93.3Very high92.8Very high98 Ų9853.2 Ų53.243%0.42630%0.298SS..Hα-helixtrans-61.4-42.7175.6-75.5178.2174.4-169.20112.5D158 S159 A160 Q166 L459 V460D158-K162 WeakPolarHBondContact O-CG 3.33Å; D158-K162 PolarHBondContact O-N 2.93Å; S159-K162 PolarHBondContact O-N 2.98Å; A160-K162 VanDerWaalsContact C-N 3.35Å; A160-K162 PolarHBondContact O-N 2.78Å; K162-Q166 WeakPolarHBondContact O-CG 3.36Å; K162-Q166 PolarHBondContact O-N 3.28Å; K162-Q166 PolarHBondContact O-NE2 3.27Å; K162-L459 WeakPolarHBondContact CE-O 3.37Å; K162-V460 HydrophobicContact CB-CG1 4.15Å; K162-V460 WeakPolarHBondContact CD-O 3.2Å; K162-V460 HydrophobicContact CG-CG1 4.26Å; K162-V460 WeakPolarHBondContact O-CG1 3.39Å
163H92.7Very high93.1Very high53 Ų5348.3 Ų48.325%0.24527%0.271CS..Hα-helixtrans-68.4-36.6176.9-77.1-53.7000113.1S159 A160 A161 Q167 K265S159-H163 PolarHBondContact O-CD2 2.94Å; S159-H163 VanDerWaalsContact O-CD2 3.3Å; S159-H163 PolarHBondContact O-N 2.96Å; S159-H163 VanDerWaalsContact O-N 3.07Å; A160-H163 PolarHBondContact O-N 3.13Å; A161-H163 PolarHBondContact O-N 3.23Å; H163-Q167 WeakPolarHBondContact O-CG 3.42Å; H163-Q167 PolarHBondContact O-N 3.22Å; H163-Q167 VanDerWaalsContact O-N 3.08Å; H163-Q167 PolarHBondContact O-NE2 3.41Å; H163-K265 PolarHBondContact ND1-NZ 3.31Å
164L95.6Very high93.4Very high17 Ų1745.1 Ų45.19%0.08925%0.254CS..Hα-helixtrans-66.7-44.6176.6-72167.2000111L147 A150 L151 A160 A161 Q166 Q167 A168 W199L147-L164 HydrophobicContact CD2-CD2 4.2Å; A150-L164 HydrophobicContact CB-CD2 4.17Å; A150-L164 VanDerWaalsContact O-CD1 3.31Å; A150-L164 WeakPolarHBondContact O-CD1 3.11Å; L151-L164 HydrophobicContact CD2-CB 3.59Å; L151-L164 HydrophobicContact CG-CB 4.27Å; A160-L164 VanDerWaalsContact O-CG 3.31Å; A160-L164 WeakPolarHBondContact O-CG 3.21Å; A160-L164 PolarHBondContact O-N 3.32Å; A161-L164 PolarHBondContact O-N 3.04Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 2.93Å; L164-Q167 PolarHBondContact O-N 3.47Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.21Å; L164-W199 HydrophobicContact CD2-CZ2 3.73Å
165K95.9Very high93.8Very high107 Ų10743.8 Ų43.847%0.46524%0.237SC..Hα-helixtrans-57.8-43.3175.8-74.3177.2-179.1-177.70112.2L151 A161 A168 S169 V460L151-K165 HydrophobicContact CD2-CG 3.78Å; A161-K165 WeakPolarHBondContact O-CG 3.42Å; A161-K165 PolarHBondContact O-N 3.42Å; K165-A168 PolarHBondContact O-N 3.43Å; K165-S169 PolarHBondContact O-N 3.34Å; K165-S169 VanDerWaalsContact O-N 3.11Å; K165-V460 HydrophobicContact CB-CG1 4.03Å; K165-V460 HydrophobicContact CD-CG2 3.81Å
166Q96.5Very high94.1Very high6 Ų640.4 Ų40.43%0.02822%0.222CC..Hα-helixtrans-62.2-48.4175.8-73.6172.898.700112K162 L164 A168 S169 I170 H266 Y455 T456 V460 S461K162-Q166 WeakPolarHBondContact O-CG 3.36Å; K162-Q166 PolarHBondContact O-N 3.28Å; K162-Q166 PolarHBondContact O-NE2 3.27Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 2.93Å; Q166-A168 PolarHBondContact O-N 2.95Å; Q166-S169 PolarHBondContact O-N 3.32Å; Q166-I170 VanDerWaalsContact O-CG1 3.31Å; Q166-I170 WeakPolarHBondContact O-CG1 3.48Å; Q166-I170 PolarHBondContact O-N 3.15Å; Q166-H266 PolarHBondContact OE1-CE1 3.21Å; Q166-H266 PolarHBondContact OE1-NE2 3.19Å; Q166-Y455 HydrophobicContact CB-CE2 3.94Å; Q166-Y455 HydrophobicContact CG-CE2 4.02Å; Q166-Y455 PolarHBondContact OE1-OH 2.95Å; Q166-Y455 VanDerWaalsContact OE1-OH 3.12Å; Q166-T456 HydrophobicContact CG-CG2 4.1Å; Q166-V460 HydrophobicContact CG-CG1 3.9Å; Q166-S461 VanDerWaalsContact OE1-CB 3.32Å; Q166-S461 PolarHBondContact OE1-OG 3.41Å
167Q97.1Very high94.5Very high2 Ų239.9 Ų39.91%0.00922%0.22CC..Hα-helixtrans-64.7-38.5179-72.9166.984.500112.4L147 H163 L164 I170 L171 K195 L196 K265L147-Q167 HydrophobicContact CD2-CB 3.91Å; H163-Q167 WeakPolarHBondContact O-CG 3.42Å; H163-Q167 PolarHBondContact O-N 3.22Å; H163-Q167 VanDerWaalsContact O-N 3.08Å; H163-Q167 PolarHBondContact O-NE2 3.41Å; L164-Q167 PolarHBondContact O-N 3.47Å; Q167-I170 PolarHBondContact O-N 2.99Å; Q167-L171 VanDerWaalsContact O-CB 3.32Å; Q167-L171 WeakPolarHBondContact O-CB 3.09Å; Q167-L171 PolarHBondContact O-N 3.15Å; Q167-K195 VanDerWaalsContact OE1-C 3.22Å; Q167-K195 PolarHBondContact OE1-O 2.92Å; Q167-L196 HydrophobicContact CB-CD1 4.45Å; Q167-L196 HydrophobicContact CG-CD1 4.35Å; Q167-K265 HydrophobicContact CG-CD 3.66Å; Q167-K265 HydrophobicContact CG-CG 4.49Å
168A97.5Very high95Very high1 Ų146.3 Ų46.31%0.00824%0.235CC..Hα-helixtrans-62.1-43.6177.600000111.7H144 L147 L151 L164 K165 Q166 G172H144-A168 PolarHBondContact N-O 3.17Å; L147-A168 HydrophobicContact CB-CB 4.09Å; L147-A168 HydrophobicContact CD1-CB 4.38Å; L147-A168 HydrophobicContact CD2-CB 3.98Å; L147-A168 HydrophobicContact CG-CB 4.36Å; L151-A168 HydrophobicContact CD1-CB 3.93Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.21Å; K165-A168 PolarHBondContact O-N 3.43Å; Q166-A168 PolarHBondContact O-N 2.95Å; A168-G172 PolarHBondContact O-N 2.99Å
169S97.8Very high95.6Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-70.8-40.5177.2-179.90000112.9M142 K165 Q166 L171 G172 N173 Y455M142-S169 PolarHBondContact N-OG 2.95Å; M142-S169 VanDerWaalsContact N-OG 3.11Å; M142-S169 WeakPolarHBondContact O-CA 3.39Å; M142-S169 WeakPolarHBondContact O-CB 2.79Å; K165-S169 PolarHBondContact O-N 3.34Å; K165-S169 VanDerWaalsContact O-N 3.11Å; Q166-S169 PolarHBondContact O-N 3.32Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 3.25Å; S169-G172 PolarHBondContact O-N 2.98Å; S169-N173 PolarHBondContact O-N 2.98Å; S169-N173 PolarHBondContact O-ND2 3.39Å; S169-N173 PolarHBondContact OG-ND2 2.66Å; S169-Y455 WeakPolarHBondContact CB-O 3.5Å; S169-Y455 PolarHBondContact OG-O 3.48Å
170I98.1Very high96Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-59-49.2174.6-68.6167.8000109.6Q166 Q167 G172 N173 I174 L196 K265 V331 A333 Y455 L466Q166-I170 VanDerWaalsContact O-CG1 3.31Å; Q166-I170 WeakPolarHBondContact O-CG1 3.48Å; Q166-I170 PolarHBondContact O-N 3.15Å; Q167-I170 PolarHBondContact O-N 2.99Å; I170-G172 PolarHBondContact O-N 3.45Å; I170-N173 PolarHBondContact O-N 2.94Å; I170-N173 VanDerWaalsContact O-N 3.12Å; I170-I174 HydrophobicContact CG2-CD1 4.07Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.47Å; I170-I174 PolarHBondContact O-N 3.22Å; I170-L196 HydrophobicContact CB-CD1 4.21Å; I170-L196 HydrophobicContact CG2-CD1 3.83Å; I170-L196 HydrophobicContact CG2-CD2 4.05Å; I170-K265 HydrophobicContact CD1-CB 3.99Å; I170-K265 HydrophobicContact CD1-CG 3.76Å; I170-V331 HydrophobicContact CG2-CG1 4.04Å; I170-A333 HydrophobicContact CD1-CB 4Å; I170-Y455 HydrophobicContact CD1-CD2 4.44Å; I170-Y455 HydrophobicContact CD1-CE2 3.91Å; I170-Y455 HydrophobicContact CG1-CD2 3.77Å; I170-Y455 HydrophobicContact CG1-CE2 3.75Å; I170-L466 HydrophobicContact CG1-CD1 4.09Å
171L98.3Very high96.1Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-61.3-41.9178.2-177.959.5000112.5H144 A146 L147 Q167 S169 N173 I174 E175 L180 W199 V200 A203H144-L171 HydrophobicContact CB-CB 4.02Å; H144-L171 HydrophobicContact CB-CD2 3.81Å; H144-L171 HydrophobicContact CB-CG 3.74Å; A146-L171 HydrophobicContact CB-CD2 4.15Å; L147-L171 HydrophobicContact CD1-CD2 3.54Å; Q167-L171 VanDerWaalsContact O-CB 3.32Å; Q167-L171 WeakPolarHBondContact O-CB 3.09Å; Q167-L171 PolarHBondContact O-N 3.15Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 3.25Å; L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.17Å; L171-I174 WeakPolarHBondContact O-CB 3.22Å; L171-I174 PolarHBondContact O-N 3.46Å; L171-I174 VanDerWaalsContact O-N 3.15Å; L171-E175 PolarHBondContact O-N 3.42Å; L171-L180 HydrophobicContact CD1-CD1 4.11Å; L171-L180 HydrophobicContact CD1-CD2 4.04Å; L171-W199 HydrophobicContact CD2-CB 3.94Å; L171-V200 HydrophobicContact CD1-CB 4.34Å; L171-V200 HydrophobicContact CD1-CG2 3.76Å; L171-A203 HydrophobicContact CD1-CB 4.21Å; L171-A203 HydrophobicContact CD2-CB 4.12Å
172G98Very high96Very high5 Ų540.5 Ų40.55%0.05220%0.196CC..Hα-helixtrans-62-34.4174.900000112.8A168 S169 I170 E175 K176A168-G172 PolarHBondContact O-N 2.99Å; S169-G172 PolarHBondContact O-N 2.98Å; I170-G172 PolarHBondContact O-N 3.45Å; G172-E175 PolarHBondContact O-N 3.05Å; G172-K176 WeakPolarHBondContact O-CB 3Å; G172-K176 PolarHBondContact O-N 2.98Å
173N98Very high95.9Very high2 Ų242.8 Ų42.81%0.01120%0.203CC..Hα-helixtrans-71.5-37.3173-80.4-73.7000112.6H140 M142 S169 I170 L171 E175 K176 L177 Q453 L466H140-N173 PolarHBondContact O-ND2 2.74Å; M142-N173 WeakPolarHBondContact CG-ND2 3.28Å; S169-N173 PolarHBondContact O-N 2.98Å; S169-N173 PolarHBondContact O-ND2 3.39Å; S169-N173 PolarHBondContact OG-ND2 2.66Å; I170-N173 PolarHBondContact O-N 2.94Å; I170-N173 VanDerWaalsContact O-N 3.12Å; L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.17Å; N173-E175 VanDerWaalsContact C-N 3.3Å; N173-E175 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact O-N 2.59Å; N173-L177 WeakPolarHBondContact O-CB 3.35Å; N173-L177 WeakPolarHBondContact O-CG 3.46Å; N173-L177 PolarHBondContact O-N 3.11Å; N173-Q453 VanDerWaalsContact CG-NE2 3.32Å; N173-Q453 PolarHBondContact OD1-NE2 3.17Å; N173-L466 HydrophobicContact CB-CD2 3.83Å
174I98.1Very high95.9Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-59.5-43.3172.4-62.7168.3000110.3I170 L171 L177 K178 L179 L180 F186 V200 I263 V331I170-I174 HydrophobicContact CG2-CD1 4.07Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.47Å; I170-I174 PolarHBondContact O-N 3.22Å; L171-I174 WeakPolarHBondContact O-CB 3.22Å; L171-I174 PolarHBondContact O-N 3.46Å; L171-I174 VanDerWaalsContact O-N 3.15Å; I174-L177 PolarHBondContact O-N 3.47Å; I174-K178 PolarHBondContact O-N 2.89Å; I174-L179 HydrophobicContact CG2-CB 3.7Å; I174-L179 WeakPolarHBondContact O-CB 3.31Å; I174-L179 PolarHBondContact O-N 2.9Å; I174-L180 HydrophobicContact CB-CD2 4.39Å; I174-L180 HydrophobicContact CG2-CD2 3.48Å; I174-L180 VanDerWaalsContact CG2-CD2 3.48Å; I174-L180 HydrophobicContact CG2-CG 3.88Å; I174-F186 HydrophobicContact CG2-CE1 4.19Å; I174-V200 HydrophobicContact CD1-CG2 4.16Å; I174-I263 HydrophobicContact CD1-CG2 3.84Å; I174-V331 HydrophobicContact CG1-CB 4.07Å; I174-V331 HydrophobicContact CG1-CG1 3.98Å; I174-V331 HydrophobicContact CG1-CG2 3.96Å
175E97.2Very high95.9Very high98 Ų9842.7 Ų42.746%0.45820%0.199SC..Hα-helixtrans-63.7-49.3175.9-172.7175.5-14500112.1H144 L171 G172 N173 L177 K178 L180H144-E175 IonicContact CD2-OE2 2.94Å; H144-E175 PolarHBondContact CD2-OE2 2.83Å; H144-E175 IonicContact NE2-OE1 3.99Å; H144-E175 IonicContact NE2-OE2 2.66Å; H144-E175 PolarHBondContact NE2-OE2 3.02Å; L171-E175 PolarHBondContact O-N 3.42Å; G172-E175 PolarHBondContact O-N 3.05Å; N173-E175 VanDerWaalsContact C-N 3.3Å; N173-E175 PolarHBondContact O-N 3.06Å; E175-L177 PolarHBondContact O-N 3.37Å; E175-K178 WeakPolarHBondContact O-CA 3.39Å; E175-K178 PolarHBondContact O-N 3.21Å; E175-L180 HydrophobicContact CB-CD1 3.65Å; E175-L180 HydrophobicContact CB-CG 4.25Å; E175-L180 HydrophobicContact CG-CD1 4.03Å
176K96.6Very high96Very high108 Ų10837.6 Ų37.647%0.4718%0.177SC..Hα-helixtrans-56.4-37.3178.1-178.9-178.1175.8-173.20112.5H140 M142 G172 N173 K178H140-K176 PolarHBondContact ND1-NZ 2.89Å; M142-K176 HydrophobicContact SD-CD 4.12Å; G172-K176 WeakPolarHBondContact O-CB 3Å; G172-K176 PolarHBondContact O-N 2.98Å; N173-K176 PolarHBondContact O-N 2.59Å; K176-K178 PolarHBondContact O-N 2.96Å
177L96.7Very high96.1Very high41 Ų4137.3 Ų37.322%0.21518%0.175CC..THydrogen-bonded Turntrans-77.22.6176.4-66.9170000113.4N173 I174 E175 L179 V331 T468 L470N173-L177 WeakPolarHBondContact O-CB 3.35Å; N173-L177 WeakPolarHBondContact O-CG 3.46Å; N173-L177 PolarHBondContact O-N 3.11Å; I174-L177 PolarHBondContact O-N 3.47Å; E175-L177 PolarHBondContact O-N 3.37Å; L177-L179 HydrophobicContact CB-CD1 3.83Å; L177-L179 HydrophobicContact CB-CG 3.89Å; L177-L179 HydrophobicContact CD1-CD1 4.07Å; L177-L179 PolarHBondContact O-N 2.96Å; L177-V331 HydrophobicContact CD1-CG2 3.77Å; L177-T468 HydrophobicContact CD1-CG2 3.84Å; L177-L470 HydrophobicContact CB-CD2 4.43Å; L177-L470 HydrophobicContact CD2-CD1 3.95Å; L177-L470 HydrophobicContact CD2-CG 4.29Å
178K96.5Very high96.1Very high180 Ų18037.6 Ų37.678%0.78318%0.177SC*.THydrogen-bonded Turntrans57.933.4-178.4-54.3-179-179.9179.70112.9I174 E175 K176I174-K178 PolarHBondContact O-N 2.89Å; E175-K178 WeakPolarHBondContact O-CA 3.39Å; E175-K178 PolarHBondContact O-N 3.21Å; K176-K178 PolarHBondContact O-N 2.96Å
179L96.5Very high96.2Very high5 Ų537.6 Ų37.63%0.02618%0.176CC..  trans-89.5-18.6178.9-65.3172.2000112.4I174 L177 G181 V261 A328 V331 L470I174-L179 HydrophobicContact CG2-CB 3.7Å; I174-L179 WeakPolarHBondContact O-CB 3.31Å; I174-L179 PolarHBondContact O-N 2.9Å; L177-L179 HydrophobicContact CB-CD1 3.83Å; L177-L179 HydrophobicContact CB-CG 3.89Å; L177-L179 HydrophobicContact CD1-CD1 4.07Å; L177-L179 PolarHBondContact O-N 2.96Å; L179-G181 PolarHBondContact O-N 3.06Å; L179-V261 HydrophobicContact CB-CG1 4.25Å; L179-V261 HydrophobicContact CB-CG2 4.37Å; L179-V261 HydrophobicContact CD1-CG1 3.98Å; L179-V261 HydrophobicContact CD2-CG2 4.28Å; L179-A328 HydrophobicContact CD2-CB 4.22Å; L179-A328 WeakPolarHBondContact CD2-O 3.27Å; L179-V331 HydrophobicContact CD1-CG2 3.75Å; L179-L470 HydrophobicContact CD1-CD2 4.21Å; L179-L470 HydrophobicContact CD2-CD2 3.8Å; L179-L470 HydrophobicContact CG-CD2 4.21Å
180L95.4Very high96.1Very high35 Ų3539.2 Ų39.218%0.18319%0.193CC..  trans-74.1109.2170.3-61.9-172.5000109.6L171 I174 E175 F186 V200 A203 L204L171-L180 HydrophobicContact CD1-CD1 4.11Å; L171-L180 HydrophobicContact CD1-CD2 4.04Å; I174-L180 HydrophobicContact CB-CD2 4.39Å; I174-L180 HydrophobicContact CG2-CD2 3.48Å; I174-L180 VanDerWaalsContact CG2-CD2 3.48Å; I174-L180 HydrophobicContact CG2-CG 3.88Å; E175-L180 HydrophobicContact CB-CD1 3.65Å; E175-L180 HydrophobicContact CB-CG 4.25Å; E175-L180 HydrophobicContact CG-CD1 4.03Å; L180-F186 HydrophobicContact CD2-CE1 4.46Å; L180-F186 HydrophobicContact CD2-CZ 4.21Å; L180-V200 HydrophobicContact CD2-CG1 3.96Å; L180-A203 HydrophobicContact CD1-CB 4.02Å; L180-L204 HydrophobicContact CB-CD2 3.87Å; L180-L204 HydrophobicContact CD2-CD1 4.33Å; L180-L204 HydrophobicContact CD2-CD2 4.35Å; L180-L204 HydrophobicContact CD2-CG 4.25Å
181G90.3Very high95.9Very high16 Ų1639.4 Ų39.417%0.16520%0.195CC..  trans-168.7169.4177.700000112.9L179 R184L179-G181 PolarHBondContact O-N 3.06Å; G181-R184 WeakPolarHBondContact O-CG 3.37Å
182P90.9Very high95.6Very high76 Ų7640.3 Ų40.349%0.49420%0.204SC..SBendtrans-67.8164.8176.631.7-36.3000111.1R184 A207 E208P182-R184 VanDerWaalsContact C-N 3.35Å; P182-R184 PolarHBondContact O-N 3.32Å; P182-A207 HydrophobicContact CB-CB 4.42Å; P182-E208 CarbonylContact C-O 3.56Å; P182-E208 WeakPolarHBondContact CA-O 3.27Å; P182-E208 WeakPolarHBondContact CB-O 3.42Å
183R90.8Very high95.3Very high147 Ų14741.8 Ų41.856%0.55521%0.209SC*.SBendtrans54.148.4177-59-175.963.6-174.6-3.2112.9E208 K209 L258R183-E208 PolarHBondContact N-O 3.13Å; R183-K209 WeakPolarHBondContact CA-O 3.42Å; R183-K209 HydrophobicContact CG-CB 4.04Å; R183-K209 HydrophobicContact CG-CD 4.07Å; R183-L258 HydrophobicContact CB-CD2 4.05Å
184R92.9Very high95Very high67 Ų6741.7 Ų41.725%0.25321%0.209SC..  trans-123150.9176.7-69.8-66.2-169.8-118.95.3110.5G181 P182 F186 V210 H211 P259G181-R184 WeakPolarHBondContact O-CG 3.37Å; P182-R184 VanDerWaalsContact C-N 3.35Å; P182-R184 PolarHBondContact O-N 3.32Å; R184-F186 HydrophobicContact CB-CD2 4.36Å; R184-F186 HydrophobicContact CB-CE2 3.78Å; R184-F186 HydrophobicContact CB-CZ 4.36Å; R184-V210 WeakPolarHBondContact O-CA 3.47Å; R184-H211 PolarHBondContact O-N 2.83Å; R184-P259 VanDerWaalsContact NH1-CG 3.3Å
185C95.8Very high94.8Very high0 Ų044.6 Ų44.60%022%0.221CC..EExtended strand (participates in β ladder)trans-114.7116.6165.7-171.60000109.6H211 I213 L253 L258 P259 V260 V261C185-H211 CarbonylContact C-O 3.54Å; C185-H211 WeakPolarHBondContact CA-O 3.4Å; C185-H211 HydrophobicContact CB-CB 4.26Å; C185-I213 VanDerWaalsContact SG-CD1 3.55Å; C185-L253 HydrophobicContact CB-CD2 3.63Å; C185-L253 VanDerWaalsContact SG-CD2 3.55Å; C185-L258 HydrophobicContact CB-CB 4.14Å; C185-P259 PolarHBondContact N-O 3.23Å; C185-P259 VanDerWaalsContact N-O 3.07Å; C185-V260 HydrophobicContact CB-CG2 4.33Å; C185-V260 CarbonylContact O-C 3.44Å; C185-V260 VanDerWaalsContact O-CA 3.25Å; C185-V260 WeakPolarHBondContact O-CA 3.45Å; C185-V261 PolarHBondContact O-N 3.22Å
186F97.6Very high94.8Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-88.8126174.1-68.7-92.2000109.2I174 L180 R184 V200 L204 V210 H211 F212 I213 V261 I263I174-F186 HydrophobicContact CG2-CE1 4.19Å; L180-F186 HydrophobicContact CD2-CE1 4.46Å; L180-F186 HydrophobicContact CD2-CZ 4.21Å; R184-F186 HydrophobicContact CB-CD2 4.36Å; R184-F186 HydrophobicContact CB-CE2 3.78Å; R184-F186 HydrophobicContact CB-CZ 4.36Å; F186-V200 HydrophobicContact CD1-CG1 3.92Å; F186-V200 HydrophobicContact CD2-CG1 4.1Å; F186-V200 HydrophobicContact CE1-CG1 3.79Å; F186-V200 HydrophobicContact CE2-CG1 3.99Å; F186-V200 HydrophobicContact CG-CG1 4.08Å; F186-V200 HydrophobicContact CZ-CG1 3.84Å; F186-L204 HydrophobicContact CD2-CD1 4.28Å; F186-L204 HydrophobicContact CE2-CD1 3.39Å; F186-L204 HydrophobicContact CZ-CD1 3.79Å; F186-V210 HydrophobicContact CD2-CG1 3.88Å; F186-V210 HydrophobicContact CE2-CG1 3.94Å; F186-H211 PolarHBondContact N-O 3.09Å; F186-F212 HydrophobicContact CB-CD1 3.69Å; F186-F212 HydrophobicContact CB-CE1 3.89Å; F186-F212 HydrophobicContact CD2-CD1 4.32Å; F186-F212 AromaticContact CD2-CE1 3.78Å; F186-F212 HydrophobicContact CD2-CE1 3.78Å; F186-F212 HydrophobicContact CD2-CZ 4.24Å; F186-F212 HydrophobicContact CG-CD1 4.28Å; F186-F212 AromaticContact CG-CE1 3.96Å; F186-F212 HydrophobicContact CG-CE1 3.96Å; F186-F212 CarbonylContact O-C 3.48Å; F186-F212 WeakPolarHBondContact O-CA 3.44Å; F186-I213 PolarHBondContact O-N 3.18Å; F186-V261 WeakPolarHBondContact CA-O 3.47Å; F186-V261 HydrophobicContact CD1-CB 3.72Å; F186-V261 HydrophobicContact CD1-CG1 4.01Å; F186-V261 HydrophobicContact CD1-CG2 4.38Å; F186-V261 HydrophobicContact CE1-CB 3.78Å; F186-V261 HydrophobicContact CE1-CG1 3.89Å; F186-V261 HydrophobicContact CE1-CG2 4.03Å; F186-V261 HydrophobicContact CG-CB 4.45Å; F186-V261 HydrophobicContact CZ-CG2 4.37Å; F186-I263 HydrophobicContact CB-CD1 4.39Å; F186-I263 HydrophobicContact CD1-CD1 4.33Å; F186-I263 HydrophobicContact CD1-CG2 4.34Å
187V98.1Very high94.7Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-109.9106174.7-1760000107.9F189 I213 V215 L247 V260 V261 I263V187-F189 HydrophobicContact CB-CE2 4.06Å; V187-F189 HydrophobicContact CB-CZ 4.4Å; V187-F189 HydrophobicContact CG1-CD1 4.41Å; V187-F189 HydrophobicContact CG1-CD2 4.07Å; V187-F189 HydrophobicContact CG1-CE1 4.01Å; V187-F189 HydrophobicContact CG1-CE2 3.61Å; V187-F189 HydrophobicContact CG1-CG 4.46Å; V187-F189 HydrophobicContact CG1-CZ 3.59Å; V187-F189 PolarHBondContact O-N 2.79Å; V187-I213 CarbonylContact C-O 3.53Å; V187-I213 WeakPolarHBondContact CA-O 3.5Å; V187-I213 HydrophobicContact CG1-CB 4.5Å; V187-I213 HydrophobicContact CG1-CG2 4.43Å; V187-I213 HydrophobicContact CG2-CB 4.2Å; V187-I213 HydrophobicContact CG2-CD1 4.33Å; V187-V215 HydrophobicContact CG1-CG2 3.89Å; V187-L247 HydrophobicContact CG1-CD2 4.38Å; V187-V260 HydrophobicContact CB-CG1 4.31Å; V187-V260 HydrophobicContact CG2-CG1 3.65Å; V187-V261 PolarHBondContact N-O 3.42Å; V187-I263 PolarHBondContact O-N 3.42Å
188E98.1Very high94.6Very high8 Ų834.6 Ų34.64%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-87.5106.6174.9-171.2179.8168.900109.4A191 L196 S197 I213 V215 I263E188-A191 HydrophobicContact CB-CB 4.14Å; E188-A191 HydrophobicContact CG-CB 3.87Å; E188-L196 WeakPolarHBondContact OE1-CB 3.5Å; E188-S197 WeakPolarHBondContact CB-OG 3.37Å; E188-S197 WeakPolarHBondContact OE2-CB 3.31Å; E188-S197 PolarHBondContact OE2-N 2.98Å; E188-S197 PolarHBondContact OE2-OG 2.92Å; E188-I213 PolarHBondContact N-O 3.28Å; E188-V215 PolarHBondContact O-N 2.89Å; E188-I263 WeakPolarHBondContact CA-O 3.37Å; E188-I263 HydrophobicContact CB-CD1 4.24Å; E188-I263 HydrophobicContact CB-CG1 3.91Å; E188-I263 HydrophobicContact CG-CG1 4.19Å
189F97.9Very high94.6Very high1 Ų127.5 Ų27.50%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-83.3132175.3-67.6-81.9000110.1V187 V215 I242 L245 L247 I263 L267 A275 C278 L279V187-F189 HydrophobicContact CB-CE2 4.06Å; V187-F189 HydrophobicContact CB-CZ 4.4Å; V187-F189 HydrophobicContact CG1-CD1 4.41Å; V187-F189 HydrophobicContact CG1-CD2 4.07Å; V187-F189 HydrophobicContact CG1-CE1 4.01Å; V187-F189 HydrophobicContact CG1-CE2 3.61Å; V187-F189 HydrophobicContact CG1-CG 4.46Å; V187-F189 HydrophobicContact CG1-CZ 3.59Å; V187-F189 PolarHBondContact O-N 2.79Å; F189-V215 HydrophobicContact CD1-CB 4.32Å; F189-V215 HydrophobicContact CD1-CG1 4.5Å; F189-V215 HydrophobicContact CD1-CG2 4.4Å; F189-I242 HydrophobicContact CB-CD1 4.03Å; F189-I242 HydrophobicContact CD1-CD1 3.72Å; F189-I242 HydrophobicContact CD1-CG1 3.96Å; F189-I242 HydrophobicContact CD1-CG2 4.06Å; F189-I242 HydrophobicContact CE1-CG2 4.03Å; F189-I242 HydrophobicContact CG-CD1 4.31Å; F189-L245 HydrophobicContact CE1-CD2 4.32Å; F189-L247 HydrophobicContact CZ-CD1 4.47Å; F189-I263 PolarHBondContact N-O 3.02Å; F189-L267 HydrophobicContact CB-CD1 3.87Å; F189-L267 HydrophobicContact CB-CD2 3.66Å; F189-L267 HydrophobicContact CB-CG 4.43Å; F189-L267 HydrophobicContact CG-CD2 4.47Å; F189-A275 HydrophobicContact CB-CB 4.2Å; F189-A275 HydrophobicContact CD1-CB 3.8Å; F189-A275 HydrophobicContact CD2-CB 3.88Å; F189-A275 HydrophobicContact CE1-CB 4.05Å; F189-A275 HydrophobicContact CE2-CB 4.14Å; F189-A275 HydrophobicContact CG-CB 3.69Å; F189-A275 HydrophobicContact CZ-CB 4.21Å; F189-C278 HydrophobicContact CE1-CB 4.28Å; F189-C278 HydrophobicContact CZ-CB 4.33Å; F189-L279 HydrophobicContact CE2-CD1 3.9Å; F189-L279 HydrophobicContact CE2-CD2 3.93Å; F189-L279 HydrophobicContact CE2-CG 3.86Å; F189-L279 HydrophobicContact CZ-CD2 4.1Å; F189-L279 HydrophobicContact CZ-CG 4.01Å
190G95.5Very high94.6Very high34 Ų3427.3 Ų27.335%0.35114%0.142SC..THydrogen-bonded Turntrans6646.7-174.500000111.2G192 V215G190-G192 PolarHBondContact O-N 2.97Å; G190-G192 VanDerWaalsContact O-N 3.16Å; G190-V215 WeakPolarHBondContact CA-O 3.47Å; G190-V215 PolarHBondContact N-O 3.31Å
191A94.3Very high94.5Very high4 Ų425.8 Ų25.83%0.03314%0.135CC..  trans-64.4-22.2-167.400000114.1E188 K193 G194 L214 V215E188-A191 HydrophobicContact CB-CB 4.14Å; E188-A191 HydrophobicContact CG-CB 3.87Å; A191-K193 PolarHBondContact O-N 3.15Å; A191-G194 WeakPolarHBondContact O-CA 3.41Å; A191-G194 PolarHBondContact O-N 2.84Å; A191-L214 HydrophobicContact CB-CB 3.73Å; A191-L214 HydrophobicContact CB-CD2 4.16Å; A191-L214 HydrophobicContact CB-CG 4.21Å; A191-V215 PolarHBondContact N-O 3.06Å
192G92.5Very high94.6Very high20 Ų2027.6 Ų27.621%0.20614%0.14CC..THydrogen-bonded Turntrans53.3-115.1-178.400000111.4G190 E216 T220 R237G190-G192 PolarHBondContact O-N 2.97Å; G190-G192 VanDerWaalsContact O-N 3.16Å; G192-E216 VanDerWaalsContact CA-OE2 3.25Å; G192-E216 WeakPolarHBondContact CA-OE2 3.45Å; G192-E216 PolarHBondContact N-OE2 3.06Å; G192-T220 PolarHBondContact O-OG1 2.95Å; G192-R237 PolarHBondContact O-NH1 3.47Å; G192-R237 PolarHBondContact O-NH2 2.72Å
193K91.1Very high94.8Very high36 Ų3625.4 Ų25.416%0.15713%0.128CC..THydrogen-bonded Turntrans-79.5-9.1176.6-66.4179.3-179.7173.30114.6A191 K195 V224 E398A191-K193 PolarHBondContact O-N 3.15Å; K193-K195 HydrophobicContact CB-CG 4.2Å; K193-V224 WeakPolarHBondContact O-CG2 3.4Å; K193-V224 PolarHBondContact O-N 3.48Å; K193-E398 IonicContact NZ-OE1 2.73Å; K193-E398 PolarHBondContact NZ-OE1 2.75Å; K193-E398 IonicContact NZ-OE2 3.64Å; K193-E398 PolarHBondContact NZ-OE2 2.9Å
194G92.8Very high94.9Very high0 Ų019.1 Ų19.10%011%0.105CC..  trans81.418.9-178.700000115.1A191 L196 H198 L214 V224A191-G194 WeakPolarHBondContact O-CA 3.41Å; A191-G194 PolarHBondContact O-N 2.84Å; G194-L196 PolarHBondContact O-N 3.12Å; G194-H198 WeakPolarHBondContact O-CB 3.45Å; G194-H198 PolarHBondContact O-N 3.44Å; G194-H198 VanDerWaalsContact O-N 3.11Å; G194-L214 VanDerWaalsContact CA-CD2 3.5Å; G194-V224 WeakPolarHBondContact O-CG2 3.42Å
195K94Very high94.6Very high60 Ų6022.4 Ų22.426%0.26112%0.122SC..Hα-helixtrans-68.6-32.3-172.3-64.1-173.3178.9176.20112.4Q167 K193 H198 W199 V224 E398Q167-K195 VanDerWaalsContact OE1-C 3.22Å; Q167-K195 PolarHBondContact OE1-O 2.92Å; K193-K195 HydrophobicContact CB-CG 4.2Å; K195-H198 WeakPolarHBondContact O-CB 3.4Å; K195-H198 PolarHBondContact O-N 3.45Å; K195-W199 PolarHBondContact O-N 3.06Å; K195-V224 HydrophobicContact CG-CG1 4.39Å; K195-E398 IonicContact NZ-OE1 2.74Å; K195-E398 PolarHBondContact NZ-OE1 2.9Å
196L96.2Very high94.1Very high2 Ų229 Ų291%0.0116%0.157CC..Hα-helixtrans-68.7-49.3179.9-176.763.4000111Q167 I170 E188 G194 H198 W199 V200 I263Q167-L196 HydrophobicContact CB-CD1 4.45Å; Q167-L196 HydrophobicContact CG-CD1 4.35Å; I170-L196 HydrophobicContact CB-CD1 4.21Å; I170-L196 HydrophobicContact CG2-CD1 3.83Å; I170-L196 HydrophobicContact CG2-CD2 4.05Å; E188-L196 WeakPolarHBondContact OE1-CB 3.5Å; G194-L196 PolarHBondContact O-N 3.12Å; L196-H198 PolarHBondContact O-N 3.32Å; L196-W199 PolarHBondContact O-N 2.73Å; L196-W199 VanDerWaalsContact O-N 3.13Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 3.37Å; L196-I263 HydrophobicContact CD2-CB 4.02Å; L196-I263 HydrophobicContact CD2-CD1 3.94Å; L196-I263 HydrophobicContact CD2-CG1 4.04Å; L196-I263 HydrophobicContact CG-CD1 4.04Å
197S95.6Very high93.7Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-59.1-35.9174.3-63.30000112.6E188 W199 V200 D201E188-S197 WeakPolarHBondContact CB-OG 3.37Å; E188-S197 WeakPolarHBondContact OE2-CB 3.31Å; E188-S197 PolarHBondContact OE2-N 2.98Å; E188-S197 PolarHBondContact OE2-OG 2.92Å; S197-W199 VanDerWaalsContact C-N 3.35Å; S197-W199 PolarHBondContact O-N 2.93Å; S197-V200 PolarHBondContact O-N 3.31Å; S197-D201 PolarHBondContact O-N 3.09Å
198H94.8Very high93.2Very high35 Ų3535.5 Ų35.516%0.16219%0.19CC..Hα-helixtrans-56.7-46.6173.817084.4000112.3G194 K195 L196 D201 I202 V224 H228G194-H198 WeakPolarHBondContact O-CB 3.45Å; G194-H198 PolarHBondContact O-N 3.44Å; G194-H198 VanDerWaalsContact O-N 3.11Å; K195-H198 WeakPolarHBondContact O-CB 3.4Å; K195-H198 PolarHBondContact O-N 3.45Å; L196-H198 PolarHBondContact O-N 3.32Å; H198-D201 PolarHBondContact O-N 3.49Å; H198-I202 VanDerWaalsContact NE2-CD1 3.32Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.34Å; H198-I202 WeakPolarHBondContact O-CG1 3.46Å; H198-I202 PolarHBondContact O-N 3.06Å; H198-I202 VanDerWaalsContact O-N 3.09Å; H198-V224 HydrophobicContact CB-CG2 3.64Å; H198-H228 AromaticContact CE1-CE1 3.82Å; H198-H228 AromaticContact CE1-NE2 3.87Å; H198-H228 AromaticContact CG-CE1 3.76Å; H198-H228 AromaticContact CG-NE2 3.53Å; H198-H228 AromaticContact ND1-CE1 2.98Å; H198-H228 PolarHBondContact ND1-CE1 3.37Å; H198-H228 AromaticContact ND1-NE2 2.79Å; H198-H228 PolarHBondContact ND1-NE2 3.27Å
199W95.8Very high92.7Very high32 Ų3241 Ų4112%0.12121%0.214CC..Hα-helixtrans-71-34.5178.5-64.3118.9000113.1A146 L147 A150 L164 L171 K195 L196 S197 D201 I202 A203A146-W199 WeakPolarHBondContact O-CZ3 3.48Å; L147-W199 HydrophobicContact CD1-CB 3.83Å; L147-W199 HydrophobicContact CD1-CD2 3.9Å; L147-W199 HydrophobicContact CD1-CE3 4.02Å; L147-W199 HydrophobicContact CD1-CG 3.81Å; L147-W199 HydrophobicContact CD2-CD2 3.74Å; L147-W199 HydrophobicContact CD2-CE3 4.36Å; L147-W199 HydrophobicContact CD2-CG 3.8Å; L147-W199 HydrophobicContact CD2-CZ2 4.35Å; L147-W199 HydrophobicContact CG-CB 4.39Å; L147-W199 HydrophobicContact CG-CD2 3.49Å; L147-W199 VanDerWaalsContact CG-CD2 3.49Å; L147-W199 HydrophobicContact CG-CE3 3.63Å; L147-W199 HydrophobicContact CG-CG 3.82Å; L147-W199 HydrophobicContact CG-CZ2 4.4Å; L147-W199 HydrophobicContact CG-CZ3 4.16Å; A150-W199 HydrophobicContact CB-CH2 3.4Å; A150-W199 HydrophobicContact CB-CZ2 3.9Å; A150-W199 HydrophobicContact CB-CZ3 4.22Å; L164-W199 HydrophobicContact CD2-CZ2 3.73Å; L171-W199 HydrophobicContact CD2-CB 3.94Å; K195-W199 PolarHBondContact O-N 3.06Å; L196-W199 PolarHBondContact O-N 2.73Å; L196-W199 VanDerWaalsContact O-N 3.13Å; S197-W199 VanDerWaalsContact C-N 3.35Å; S197-W199 PolarHBondContact O-N 2.93Å; W199-D201 VanDerWaalsContact C-N 3.35Å; W199-I202 HydrophobicContact CD2-CD1 4.47Å; W199-I202 HydrophobicContact CE3-CD1 3.51Å; W199-I202 HydrophobicContact CZ3-CD1 3.55Å; W199-I202 PolarHBondContact O-N 3.07Å; W199-A203 PolarHBondContact O-N 3.11Å
200V96.1Very high92.4Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-61.6-43.4172.4177.80000110.5L171 I174 L180 F186 L196 S197 I202 A203 L204 F212 I263L171-V200 HydrophobicContact CD1-CB 4.34Å; L171-V200 HydrophobicContact CD1-CG2 3.76Å; I174-V200 HydrophobicContact CD1-CG2 4.16Å; L180-V200 HydrophobicContact CD2-CG1 3.96Å; F186-V200 HydrophobicContact CD1-CG1 3.92Å; F186-V200 HydrophobicContact CD2-CG1 4.1Å; F186-V200 HydrophobicContact CE1-CG1 3.79Å; F186-V200 HydrophobicContact CE2-CG1 3.99Å; F186-V200 HydrophobicContact CG-CG1 4.08Å; F186-V200 HydrophobicContact CZ-CG1 3.84Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 3.37Å; S197-V200 PolarHBondContact O-N 3.31Å; V200-I202 VanDerWaalsContact C-N 3.32Å; V200-I202 PolarHBondContact O-N 2.82Å; V200-A203 PolarHBondContact O-N 2.85Å; V200-L204 HydrophobicContact CG1-CD1 3.74Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 WeakPolarHBondContact O-CB 3.19Å; V200-L204 WeakPolarHBondContact O-CG 3.43Å; V200-L204 PolarHBondContact O-N 3.16Å; V200-F212 HydrophobicContact CB-CE1 3.92Å; V200-F212 HydrophobicContact CB-CZ 4.46Å; V200-F212 HydrophobicContact CG1-CE1 3.68Å; V200-F212 HydrophobicContact CG1-CZ 4.08Å; V200-I263 HydrophobicContact CG2-CD1 4.18Å
201D94.1Very high92.3Very high3 Ų341.3 Ų41.32%0.01621%0.206CC..Hα-helixtrans-64.2-33175.1175.874.6000113.5S197 H198 W199 L204 K205 F212 H228 K230 S233 F235S197-D201 PolarHBondContact O-N 3.09Å; H198-D201 PolarHBondContact O-N 3.49Å; W199-D201 VanDerWaalsContact C-N 3.35Å; D201-L204 CarbonylContact O-C 3.44Å; D201-L204 PolarHBondContact O-N 3.35Å; D201-K205 PolarHBondContact O-N 3.19Å; D201-F212 HydrophobicContact CB-CE2 3.81Å; D201-F212 HydrophobicContact CB-CZ 3.72Å; D201-H228 IonicContact OD2-CE1 2.83Å; D201-H228 PolarHBondContact OD2-CE1 3.07Å; D201-H228 IonicContact OD2-ND1 2.82Å; D201-H228 PolarHBondContact OD2-ND1 3.35Å; D201-K230 PolarHBondContact O-NZ 3.31Å; D201-K230 IonicContact OD1-NZ 3.52Å; D201-K230 IonicContact OD2-NZ 3.85Å; D201-K230 PolarHBondContact OD2-NZ 3.27Å; D201-S233 WeakPolarHBondContact OD1-CB 3.32Å; D201-S233 PolarHBondContact OD1-OG 2.93Å; D201-F235 HydrophobicContact CB-CE2 4.04Å; D201-F235 HydrophobicContact CB-CZ 3.68Å
202I92.9Very high92.3Very high54 Ų5441.1 Ų41.128%0.27720%0.204SC..Hα-helixtrans-67.6-43.7173.1-69.4169.1000110.4A146 H198 W199 V200 L204 K205A146-I202 HydrophobicContact CB-CB 4.43Å; A146-I202 HydrophobicContact CB-CG2 3.82Å; H198-I202 VanDerWaalsContact NE2-CD1 3.32Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.34Å; H198-I202 WeakPolarHBondContact O-CG1 3.46Å; H198-I202 PolarHBondContact O-N 3.06Å; H198-I202 VanDerWaalsContact O-N 3.09Å; W199-I202 HydrophobicContact CD2-CD1 4.47Å; W199-I202 HydrophobicContact CE3-CD1 3.51Å; W199-I202 HydrophobicContact CZ3-CD1 3.55Å; W199-I202 PolarHBondContact O-N 3.07Å; V200-I202 VanDerWaalsContact C-N 3.32Å; V200-I202 PolarHBondContact O-N 2.82Å; I202-L204 VanDerWaalsContact C-N 3.25Å; I202-L204 PolarHBondContact O-N 2.83Å; I202-K205 PolarHBondContact O-N 3.5Å
203A94.4Very high92.5Very high30 Ų3040.2 Ų40.225%0.24820%0.195CC..Hα-helixtrans-64.3-31.3176.200000112.7H144 A146 L171 L180 W199 V200H144-A203 WeakPolarHBondContact CE1-CB 3.36Å; A146-A203 HydrophobicContact CB-CB 4.29Å; L171-A203 HydrophobicContact CD1-CB 4.21Å; L171-A203 HydrophobicContact CD2-CB 4.12Å; L180-A203 HydrophobicContact CD1-CB 4.02Å; W199-A203 PolarHBondContact O-N 3.11Å; V200-A203 PolarHBondContact O-N 2.85Å
204L92.8Very high92.7Very high15 Ų1538.5 Ų38.58%0.07919%0.187CC..THydrogen-bonded Turntrans-95.124.2-179.6-68.1175.6000113.8L180 F186 V200 D201 I202 D206 A207 V210 F212L180-L204 HydrophobicContact CB-CD2 3.87Å; L180-L204 HydrophobicContact CD2-CD1 4.33Å; L180-L204 HydrophobicContact CD2-CD2 4.35Å; L180-L204 HydrophobicContact CD2-CG 4.25Å; F186-L204 HydrophobicContact CD2-CD1 4.28Å; F186-L204 HydrophobicContact CE2-CD1 3.39Å; F186-L204 HydrophobicContact CZ-CD1 3.79Å; V200-L204 HydrophobicContact CG1-CD1 3.74Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 WeakPolarHBondContact O-CB 3.19Å; V200-L204 WeakPolarHBondContact O-CG 3.43Å; V200-L204 PolarHBondContact O-N 3.16Å; D201-L204 CarbonylContact O-C 3.44Å; D201-L204 PolarHBondContact O-N 3.35Å; I202-L204 VanDerWaalsContact C-N 3.25Å; I202-L204 PolarHBondContact O-N 2.83Å; L204-D206 PolarHBondContact O-N 2.74Å; L204-A207 HydrophobicContact CB-CB 4.03Å; L204-A207 HydrophobicContact CD2-CB 3.93Å; L204-A207 WeakPolarHBondContact O-CB 3.34Å; L204-A207 PolarHBondContact O-N 3.29Å; L204-V210 HydrophobicContact CD1-CG1 3.83Å; L204-V210 HydrophobicContact CD1-CG2 4.26Å; L204-F212 HydrophobicContact CD1-CZ 4.43Å
205K85.6Confident92.9Very high137 Ų13738.6 Ų38.660%0.59619%0.188SC*.THydrogen-bonded Turntrans-52.7-31-174.466.5179.4-173.61790114.7D201 I202D201-K205 PolarHBondContact O-N 3.19Å; I202-K205 PolarHBondContact O-N 3.5Å
206D86.1Confident92.9Very high137 Ų13737.1 Ų37.173%0.73318%0.182SC*.THydrogen-bonded Turntrans-101.9-1-177.7-55.5-47.5000112.7L204L204-D206 PolarHBondContact O-N 2.74Å
207A88.1Confident92.6Very high15 Ų1543.1 Ų43.112%0.12421%0.208CC..  trans-85.9138.9-178.100000111.7P182 L204 V210P182-A207 HydrophobicContact CB-CB 4.42Å; L204-A207 HydrophobicContact CB-CB 4.03Å; L204-A207 HydrophobicContact CD2-CB 3.93Å; L204-A207 WeakPolarHBondContact O-CB 3.34Å; L204-A207 PolarHBondContact O-N 3.29Å; A207-V210 HydrophobicContact CB-CG2 3.81Å
208E88.1Confident92.1Very high122 Ų12247 Ų4757%0.5723%0.232SC*.SBendtrans-94.6153.2178.1-62.6-172.7171.300112.7P182 R183 V210P182-E208 CarbonylContact C-O 3.56Å; P182-E208 WeakPolarHBondContact CA-O 3.27Å; P182-E208 WeakPolarHBondContact CB-O 3.42Å; R183-E208 PolarHBondContact N-O 3.13Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.4Å
209K87.1Confident91.4Very high124 Ų12449.6 Ų49.654%0.53925%0.25SS..SBendtrans57.642.9173.3-60.1177.3179.9175.70113.1R183 H211R183-K209 WeakPolarHBondContact CA-O 3.42Å; R183-K209 HydrophobicContact CG-CB 4.04Å; R183-K209 HydrophobicContact CG-CD 4.07Å; K209-H211 PolarHBondContact O-ND1 3.08Å
210V92Very high90.6Very high1 Ų149.1 Ų49.11%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-95.3130.7175.9-173.20000109.7R184 F186 L204 A207 E208 F212 N232 S233 V234R184-V210 WeakPolarHBondContact O-CA 3.47Å; F186-V210 HydrophobicContact CD2-CG1 3.88Å; F186-V210 HydrophobicContact CE2-CG1 3.94Å; L204-V210 HydrophobicContact CD1-CG1 3.83Å; L204-V210 HydrophobicContact CD1-CG2 4.26Å; A207-V210 HydrophobicContact CB-CG2 3.81Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.4Å; V210-F212 HydrophobicContact CB-CE2 4.32Å; V210-F212 HydrophobicContact CG1-CD2 4.28Å; V210-F212 HydrophobicContact CG1-CE1 4.38Å; V210-F212 HydrophobicContact CG1-CE2 3.51Å; V210-F212 HydrophobicContact CG1-CZ 3.56Å; V210-N232 PolarHBondContact N-O 3.27Å; V210-S233 VanDerWaalsContact O-CA 3.3Å; V210-S233 WeakPolarHBondContact O-CA 3.36Å; V210-V234 PolarHBondContact O-N 2.61Å
211H93.2Very high89.5Confident40 Ų4058 Ų5819%0.18528%0.284CS..EExtended strand (participates in β ladder)trans-120146.7178-63.877.5000110.2R184 C185 F186 K209 V234 V252 L258R184-H211 PolarHBondContact O-N 2.83Å; C185-H211 CarbonylContact C-O 3.54Å; C185-H211 WeakPolarHBondContact CA-O 3.4Å; C185-H211 HydrophobicContact CB-CB 4.26Å; F186-H211 PolarHBondContact N-O 3.09Å; K209-H211 PolarHBondContact O-ND1 3.08Å; H211-V234 CarbonylContact C-O 3.48Å; H211-V252 HydrophobicContact CB-CG2 4.24Å; H211-V252 WeakPolarHBondContact CD2-CG2 3.38Å; H211-L258 HydrophobicContact CB-CD1 4.44Å; H211-L258 WeakPolarHBondContact ND1-CD1 3.25Å
212F94.9Very high88.5Confident1 Ų165 Ų650%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-127.5118.4-179.5-65.3-84.4000109.2F186 V200 D201 L204 V210 L214 V234 F235 E236F186-F212 HydrophobicContact CB-CD1 3.69Å; F186-F212 HydrophobicContact CB-CE1 3.89Å; F186-F212 HydrophobicContact CD2-CD1 4.32Å; F186-F212 AromaticContact CD2-CE1 3.78Å; F186-F212 HydrophobicContact CD2-CE1 3.78Å; F186-F212 HydrophobicContact CD2-CZ 4.24Å; F186-F212 HydrophobicContact CG-CD1 4.28Å; F186-F212 AromaticContact CG-CE1 3.96Å; F186-F212 HydrophobicContact CG-CE1 3.96Å; F186-F212 CarbonylContact O-C 3.48Å; F186-F212 WeakPolarHBondContact O-CA 3.44Å; V200-F212 HydrophobicContact CB-CE1 3.92Å; V200-F212 HydrophobicContact CB-CZ 4.46Å; V200-F212 HydrophobicContact CG1-CE1 3.68Å; V200-F212 HydrophobicContact CG1-CZ 4.08Å; D201-F212 HydrophobicContact CB-CE2 3.81Å; D201-F212 HydrophobicContact CB-CZ 3.72Å; L204-F212 HydrophobicContact CD1-CZ 4.43Å; V210-F212 HydrophobicContact CB-CE2 4.32Å; V210-F212 HydrophobicContact CG1-CD2 4.28Å; V210-F212 HydrophobicContact CG1-CE1 4.38Å; V210-F212 HydrophobicContact CG1-CE2 3.51Å; V210-F212 HydrophobicContact CG1-CZ 3.56Å; F212-L214 HydrophobicContact CB-CD1 4.04Å; F212-V234 PolarHBondContact N-O 3.36Å; F212-F235 HydrophobicContact CB-CD1 3.78Å; F212-F235 HydrophobicContact CB-CD2 4.32Å; F212-F235 HydrophobicContact CB-CE1 3.85Å; F212-F235 HydrophobicContact CB-CE2 4.39Å; F212-F235 HydrophobicContact CB-CG 4.01Å; F212-F235 HydrophobicContact CB-CZ 4.17Å; F212-F235 HydrophobicContact CD1-CE1 4.43Å; F212-F235 HydrophobicContact CD1-CZ 4.33Å; F212-F235 AromaticContact CD2-CD2 3.88Å; F212-F235 HydrophobicContact CD2-CD2 3.88Å; F212-F235 HydrophobicContact CD2-CE1 4.12Å; F212-F235 AromaticContact CD2-CE2 3.4Å; F212-F235 HydrophobicContact CD2-CE2 3.4Å; F212-F235 HydrophobicContact CD2-CG 4.43Å; F212-F235 AromaticContact CD2-CZ 3.54Å; F212-F235 HydrophobicContact CD2-CZ 3.54Å; F212-F235 AromaticContact CE2-CE2 3.86Å; F212-F235 HydrophobicContact CE2-CE2 3.86Å; F212-F235 AromaticContact CE2-CZ 3.95Å; F212-F235 HydrophobicContact CE2-CZ 3.95Å; F212-F235 HydrophobicContact CG-CD1 4.28Å; F212-F235 HydrophobicContact CG-CD2 4.41Å; F212-F235 AromaticContact CG-CE1 3.89Å; F212-F235 HydrophobicContact CG-CE1 3.89Å; F212-F235 HydrophobicContact CG-CE2 4.03Å; F212-F235 AromaticContact CG-CZ 3.75Å; F212-F235 HydrophobicContact CG-CZ 3.75Å; F212-F235 WeakPolarHBondContact O-CA 3.26Å; F212-E236 PolarHBondContact O-N 3.39Å
213I95.9Very high87.9Confident1 Ų166.5 Ų66.51%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-109.7115.7174.3-62169.6000107.8C185 F186 V187 E188 V215 E236 L238 I250 V252 L253C185-I213 VanDerWaalsContact SG-CD1 3.55Å; F186-I213 PolarHBondContact O-N 3.18Å; V187-I213 CarbonylContact C-O 3.53Å; V187-I213 WeakPolarHBondContact CA-O 3.5Å; V187-I213 HydrophobicContact CG1-CB 4.5Å; V187-I213 HydrophobicContact CG1-CG2 4.43Å; V187-I213 HydrophobicContact CG2-CB 4.2Å; V187-I213 HydrophobicContact CG2-CD1 4.33Å; E188-I213 PolarHBondContact N-O 3.28Å; I213-V215 HydrophobicContact CG2-CG2 4.05Å; I213-E236 CarbonylContact C-O 3.59Å; I213-E236 VanDerWaalsContact CA-O 3.3Å; I213-E236 WeakPolarHBondContact CA-O 3.4Å; I213-L238 HydrophobicContact CG2-CD1 3.63Å; I213-L238 HydrophobicContact CG2-CG 3.94Å; I213-I250 HydrophobicContact CD1-CD1 3.99Å; I213-I250 HydrophobicContact CD1-CG2 4.15Å; I213-I250 HydrophobicContact CG2-CD1 4.31Å; I213-V252 HydrophobicContact CD1-CG1 3.94Å; I213-V252 HydrophobicContact CG1-CG1 4.49Å; I213-L253 HydrophobicContact CD1-CD1 3.7Å; I213-L253 HydrophobicContact CD1-CD2 4.18Å; I213-L253 HydrophobicContact CD1-CG 3.77Å
214L96.4Very high87.2Confident0 Ų065.8 Ų65.80%031%0.312CS..EExtended strand (participates in β ladder)trans-103.2107-177.9-68.187.4000108.7A191 G194 F212 D225 F235 E236 R237 L238A191-L214 HydrophobicContact CB-CB 3.73Å; A191-L214 HydrophobicContact CB-CD2 4.16Å; A191-L214 HydrophobicContact CB-CG 4.21Å; G194-L214 VanDerWaalsContact CA-CD2 3.5Å; F212-L214 HydrophobicContact CB-CD1 4.04Å; L214-D225 WeakPolarHBondContact CD2-OD1 3.4Å; L214-F235 HydrophobicContact CD1-CD1 3.63Å; L214-F235 HydrophobicContact CD1-CE1 4.29Å; L214-E236 PolarHBondContact N-O 2.79Å; L214-R237 HydrophobicContact CB-CB 4.2Å; L214-R237 HydrophobicContact CB-CG 4.16Å; L214-R237 VanDerWaalsContact CD2-NH2 3.28Å; L214-R237 CarbonylContact O-C 3.58Å; L214-R237 WeakPolarHBondContact O-CA 3.4Å; L214-R237 WeakPolarHBondContact O-CG 3.16Å; L214-L238 PolarHBondContact O-N 2.82Å
215V96.5Very high86.5Confident1 Ų166.2 Ų66.21%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-96.2122.3-177.6-176.10000109.4V187 E188 F189 G190 A191 I213 I240 I242 L245V187-V215 HydrophobicContact CG1-CG2 3.89Å; E188-V215 PolarHBondContact O-N 2.89Å; F189-V215 HydrophobicContact CD1-CB 4.32Å; F189-V215 HydrophobicContact CD1-CG1 4.5Å; F189-V215 HydrophobicContact CD1-CG2 4.4Å; G190-V215 WeakPolarHBondContact CA-O 3.47Å; G190-V215 PolarHBondContact N-O 3.31Å; A191-V215 PolarHBondContact N-O 3.06Å; I213-V215 HydrophobicContact CG2-CG2 4.05Å; V215-I240 HydrophobicContact CG1-CG2 4.03Å; V215-I242 HydrophobicContact CG1-CG1 3.96Å; V215-L245 HydrophobicContact CB-CD2 4.31Å; V215-L245 HydrophobicContact CG1-CD2 3.74Å; V215-L245 HydrophobicContact CG2-CD2 3.57Å
216E94.1Very high85.6Confident29 Ų2962.7 Ų62.714%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-146.6136.6-179.7176.656.5-106.100110.9G192 V218 T220 L238 Q239 I240G192-E216 VanDerWaalsContact CA-OE2 3.25Å; G192-E216 WeakPolarHBondContact CA-OE2 3.45Å; G192-E216 PolarHBondContact N-OE2 3.06Å; E216-V218 WeakPolarHBondContact CG-O 3.49Å; E216-V218 PolarHBondContact OE1-N 3.2Å; E216-T220 HydrophobicContact CG-CG2 4.43Å; E216-L238 PolarHBondContact N-O 2.83Å; E216-Q239 CarbonylContact O-C 3.57Å; E216-Q239 WeakPolarHBondContact O-CA 3.41Å; E216-I240 CarbonylContact C-O 3.48Å; E216-I240 PolarHBondContact O-N 2.85Å
217K90.3Very high84.8Confident128 Ų12863.8 Ų63.856%0.55732%0.315SS*.SBendtrans-75.8-35.1-179.2-176.6172.4178.5160.10111.8D241K217-D241 HydrophobicContact CD-CB 4.44Å; K217-D241 WeakPolarHBondContact CD-OD2 3.49Å; K217-D241 WeakPolarHBondContact CE-OD2 3.47Å; K217-D241 HydrophobicContact CG-CB 4.48Å; K217-D241 IonicContact NZ-OD2 3.72Å; K217-D241 PolarHBondContact NZ-OD2 2.84Å
218V84.8Confident83.8Confident83 Ų8364.2 Ų64.250%0.50331%0.314SS..SBendtrans-119.8150.7-173.6-630000113.5E216 T220E216-V218 WeakPolarHBondContact CG-O 3.49Å; E216-V218 PolarHBondContact OE1-N 3.2Å; V218-T220 PolarHBondContact O-N 3.18Å
219T80.1Confident82.6Confident89 Ų8969.7 Ų69.755%0.54633%0.329SS..PPolyproline II helixtrans-69.7123.9174.953.40000111Q239T219-Q239 VanDerWaalsContact CG2-OE1 3.3Å
220T78.3Confident81.6Confident21 Ų2168 Ų6813%0.12932%0.322CS..PPolyproline II helixtrans-100.6149.1174.751.60000111.9G192 E216 V218 K223G192-T220 PolarHBondContact O-OG1 2.95Å; E216-T220 HydrophobicContact CG-CG2 4.43Å; V218-T220 PolarHBondContact O-N 3.18Å; T220-K223 WeakPolarHBondContact O-CE 3.5Å
221R73.7Confident80.4Confident186 Ų18677.9 Ų77.970%0.70237%0.365SS*.SBendtrans-88.8161.6169.5-65.9-178.3-179.9177.30.8110.1K223R221-K223 VanDerWaalsContact C-N 3.3Å; R221-K223 PolarHBondContact O-N 3.43Å
222F72.6Confident79.4Confident152 Ų15279.6 Ų79.667%0.66738%0.375SS*.SBendtrans56.941.1176.7-48.3-70000114
223K79.9Confident78.9Confident85 Ų8580.1 Ų80.137%0.3738%0.379SS..  trans-63.2135.5174.2-59174.2-174.2178.80109.6T220 R221 D225T220-K223 WeakPolarHBondContact O-CE 3.5Å; R221-K223 VanDerWaalsContact C-N 3.3Å; R221-K223 PolarHBondContact O-N 3.43Å; K223-D225 VanDerWaalsContact C-N 3.34Å
224V80.9Confident78.5Confident15 Ų1583.8 Ų83.89%0.09140%0.401CS..SBendtrans-86.7-10179.2-58.60000112.8K193 G194 K195 H198 G226 K227 H228K193-V224 WeakPolarHBondContact O-CG2 3.4Å; K193-V224 PolarHBondContact O-N 3.48Å; G194-V224 WeakPolarHBondContact O-CG2 3.42Å; K195-V224 HydrophobicContact CG-CG1 4.39Å; H198-V224 HydrophobicContact CB-CG2 3.64Å; V224-G226 PolarHBondContact O-N 3.16Å; V224-G226 VanDerWaalsContact O-N 3.17Å; V224-K227 VanDerWaalsContact O-CB 3.26Å; V224-K227 WeakPolarHBondContact O-CB 3.32Å; V224-K227 WeakPolarHBondContact O-CG 3.26Å; V224-K227 PolarHBondContact O-N 2.8Å; V224-H228 PolarHBondContact O-CD2 2.77Å
225D77.1Confident78.2Confident24 Ų2485.7 Ų85.713%0.12841%0.41CS..G310 helixtrans-53.2-40.6-177.1-24.7-34000112.5L214 K223 K227 H228 R237L214-D225 WeakPolarHBondContact CD2-OD1 3.4Å; K223-D225 VanDerWaalsContact C-N 3.34Å; D225-K227 PolarHBondContact O-N 3.08Å; D225-K227 VanDerWaalsContact O-N 3.1Å; D225-H228 PolarHBondContact O-N 3Å; D225-R237 VanDerWaalsContact CG-NH2 3.34Å; D225-R237 IonicContact OD1-CZ 2.86Å; D225-R237 IonicContact OD1-NE 2.73Å; D225-R237 IonicContact OD1-NH2 2.81Å; D225-R237 PolarHBondContact OD1-NH2 2.76Å; D225-R237 IonicContact OD2-CZ 3.92Å; D225-R237 IonicContact OD2-NE 3.88Å; D225-R237 PolarHBondContact OD2-NE 2.79Å; D225-R237 IonicContact OD2-NH2 3.4Å; D225-R237 PolarHBondContact OD2-NH2 2.99Å
226G66.6Low78Confident62 Ų6288.8 Ų88.864%0.63942%0.424SS*.G310 helixtrans-66.3-12.2-179.100000114.7V224 H228V224-G226 PolarHBondContact O-N 3.16Å; V224-G226 VanDerWaalsContact O-N 3.17Å; G226-H228 VanDerWaalsContact C-N 3.3Å
227K69.6Low78Confident161 Ų16190 Ų9070%0.743%0.428SS*.G310 helixtrans-79.4-13.7174.3-58.9-176.5177.9-176.30112.4V224 D225V224-K227 VanDerWaalsContact O-CB 3.26Å; V224-K227 WeakPolarHBondContact O-CB 3.32Å; V224-K227 WeakPolarHBondContact O-CG 3.26Å; V224-K227 PolarHBondContact O-N 2.8Å; D225-K227 PolarHBondContact O-N 3.08Å; D225-K227 VanDerWaalsContact O-N 3.1Å
228H68.6Low78.1Confident24 Ų2484.2 Ų84.211%0.11140%0.403CS..  trans-98.7105.1-178.2-57.9-85.7000110.1H198 D201 V224 D225 G226 F235H198-H228 AromaticContact CE1-CE1 3.82Å; H198-H228 AromaticContact CE1-NE2 3.87Å; H198-H228 AromaticContact CG-CE1 3.76Å; H198-H228 AromaticContact CG-NE2 3.53Å; H198-H228 AromaticContact ND1-CE1 2.98Å; H198-H228 PolarHBondContact ND1-CE1 3.37Å; H198-H228 AromaticContact ND1-NE2 2.79Å; H198-H228 PolarHBondContact ND1-NE2 3.27Å; D201-H228 IonicContact OD2-CE1 2.83Å; D201-H228 PolarHBondContact OD2-CE1 3.07Å; D201-H228 IonicContact OD2-ND1 2.82Å; D201-H228 PolarHBondContact OD2-ND1 3.35Å; V224-H228 PolarHBondContact O-CD2 2.77Å; D225-H228 PolarHBondContact O-N 3Å; G226-H228 VanDerWaalsContact C-N 3.3Å; H228-F235 HydrophobicContact CB-CD2 3.57Å; H228-F235 HydrophobicContact CB-CE2 3.52Å; H228-F235 HydrophobicContact CB-CG 4.2Å; H228-F235 HydrophobicContact CB-CZ 4.11Å; H228-F235 AromaticContact CD2-CE1 3.92Å; H228-F235 AromaticContact CD2-CZ 3.78Å; H228-F235 AromaticContact CE1-CZ 3.98Å; H228-F235 AromaticContact CG-CE2 3.54Å; H228-F235 AromaticContact CG-CZ 3.63Å; H228-F235 AromaticContact ND1-CE2 3.83Å; H228-F235 AromaticContact ND1-CZ 3.78Å
229R61.2Low78.5Confident236 Ų23685 Ų8589%0.89140%0.401SS*.  trans-128.233.3171.4-62.9-172-178.9-155.70.3111.1
230K67.2Low79.2Confident88 Ų8881.2 Ų81.238%0.38338%0.377SS..  trans-71.7147.6178.1-69.5177.3-177.2162.50109.1D201 N232D201-K230 PolarHBondContact O-NZ 3.31Å; D201-K230 IonicContact OD1-NZ 3.52Å; D201-K230 IonicContact OD2-NZ 3.85Å; D201-K230 PolarHBondContact OD2-NZ 3.27Å; K230-N232 PolarHBondContact O-N 3.42Å
231K65.8Low80Confident209 Ų20981.7 Ų81.791%0.90938%0.379SS*.THydrogen-bonded Turntrans-67.3-24.3179.9-162.5176.7179.9-176.60112.9
232N73.7Confident81.2Confident76 Ų7673.3 Ų73.341%0.40635%0.348SS..THydrogen-bonded Turntrans-105.1-5.8-169.1-63.5-6.2000114.5V210 K230V210-N232 PolarHBondContact N-O 3.27Å; K230-N232 PolarHBondContact O-N 3.42Å
233S82.9Confident82.3Confident13 Ų1367.6 Ų67.69%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-129.2138.4176.658.80000112.5D201 V210D201-S233 WeakPolarHBondContact OD1-CB 3.32Å; D201-S233 PolarHBondContact OD1-OG 2.93Å; V210-S233 VanDerWaalsContact O-CA 3.3Å; V210-S233 WeakPolarHBondContact O-CA 3.36Å
234V87.6Confident83.1Confident77 Ų7765 Ų6547%0.46731%0.313SS..EExtended strand (participates in β ladder)trans-118.2128.6-178.7-179.50000109.4V210 H211 F212V210-V234 PolarHBondContact O-N 2.61Å; H211-V234 CarbonylContact C-O 3.48Å; F212-V234 PolarHBondContact N-O 3.36Å
235F91.5Very high83.9Confident41 Ų4164.3 Ų64.318%0.1831%0.308CS..EExtended strand (participates in β ladder)trans-110.5123.5177.8-79.4-107.8000110.4D201 F212 L214 H228D201-F235 HydrophobicContact CB-CE2 4.04Å; D201-F235 HydrophobicContact CB-CZ 3.68Å; F212-F235 HydrophobicContact CB-CD1 3.78Å; F212-F235 HydrophobicContact CB-CD2 4.32Å; F212-F235 HydrophobicContact CB-CE1 3.85Å; F212-F235 HydrophobicContact CB-CE2 4.39Å; F212-F235 HydrophobicContact CB-CG 4.01Å; F212-F235 HydrophobicContact CB-CZ 4.17Å; F212-F235 HydrophobicContact CD1-CE1 4.43Å; F212-F235 HydrophobicContact CD1-CZ 4.33Å; F212-F235 AromaticContact CD2-CD2 3.88Å; F212-F235 HydrophobicContact CD2-CD2 3.88Å; F212-F235 HydrophobicContact CD2-CE1 4.12Å; F212-F235 AromaticContact CD2-CE2 3.4Å; F212-F235 HydrophobicContact CD2-CE2 3.4Å; F212-F235 HydrophobicContact CD2-CG 4.43Å; F212-F235 AromaticContact CD2-CZ 3.54Å; F212-F235 HydrophobicContact CD2-CZ 3.54Å; F212-F235 AromaticContact CE2-CE2 3.86Å; F212-F235 HydrophobicContact CE2-CE2 3.86Å; F212-F235 AromaticContact CE2-CZ 3.95Å; F212-F235 HydrophobicContact CE2-CZ 3.95Å; F212-F235 HydrophobicContact CG-CD1 4.28Å; F212-F235 HydrophobicContact CG-CD2 4.41Å; F212-F235 AromaticContact CG-CE1 3.89Å; F212-F235 HydrophobicContact CG-CE1 3.89Å; F212-F235 HydrophobicContact CG-CE2 4.03Å; F212-F235 AromaticContact CG-CZ 3.75Å; F212-F235 HydrophobicContact CG-CZ 3.75Å; F212-F235 WeakPolarHBondContact O-CA 3.26Å; L214-F235 HydrophobicContact CD1-CD1 3.63Å; L214-F235 HydrophobicContact CD1-CE1 4.29Å; H228-F235 HydrophobicContact CB-CD2 3.57Å; H228-F235 HydrophobicContact CB-CE2 3.52Å; H228-F235 HydrophobicContact CB-CG 4.2Å; H228-F235 HydrophobicContact CB-CZ 4.11Å; H228-F235 AromaticContact CD2-CE1 3.92Å; H228-F235 AromaticContact CD2-CZ 3.78Å; H228-F235 AromaticContact CE1-CZ 3.98Å; H228-F235 AromaticContact CG-CE2 3.54Å; H228-F235 AromaticContact CG-CZ 3.63Å; H228-F235 AromaticContact ND1-CE2 3.83Å; H228-F235 AromaticContact ND1-CZ 3.78Å
236E91.9Very high84.8Confident66 Ų6663.5 Ų63.531%0.30830%0.304SS..EExtended strand (participates in β ladder)trans-124.6123.9174.7-171.8178.5174.700109F212 I213 L214 L238F212-E236 PolarHBondContact O-N 3.39Å; I213-E236 CarbonylContact C-O 3.59Å; I213-E236 VanDerWaalsContact CA-O 3.3Å; I213-E236 WeakPolarHBondContact CA-O 3.4Å; L214-E236 PolarHBondContact N-O 2.79Å; E236-L238 HydrophobicContact CG-CD2 3.8Å; E236-L238 WeakPolarHBondContact OE1-CD2 3.32Å
237R93.1Very high86.2Confident54 Ų5460.5 Ų60.520%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-107123.7177-179.4177.2-71.6-91.14.7110.6G192 L214 D225G192-R237 PolarHBondContact O-NH1 3.47Å; G192-R237 PolarHBondContact O-NH2 2.72Å; L214-R237 HydrophobicContact CB-CB 4.2Å; L214-R237 HydrophobicContact CB-CG 4.16Å; L214-R237 VanDerWaalsContact CD2-NH2 3.28Å; L214-R237 CarbonylContact O-C 3.58Å; L214-R237 WeakPolarHBondContact O-CA 3.4Å; L214-R237 WeakPolarHBondContact O-CG 3.16Å; D225-R237 VanDerWaalsContact CG-NH2 3.34Å; D225-R237 IonicContact OD1-CZ 2.86Å; D225-R237 IonicContact OD1-NE 2.73Å; D225-R237 IonicContact OD1-NH2 2.81Å; D225-R237 PolarHBondContact OD1-NH2 2.76Å; D225-R237 IonicContact OD2-CZ 3.92Å; D225-R237 IonicContact OD2-NE 3.88Å; D225-R237 PolarHBondContact OD2-NE 2.79Å; D225-R237 IonicContact OD2-NH2 3.4Å; D225-R237 PolarHBondContact OD2-NH2 2.99Å
238L93.9Very high87.2Confident6 Ų654.1 Ų54.13%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-104.2116.5179.7-49.8-174000109.8F89 I213 L214 E216 E236 I240 L245 I250F89-L238 HydrophobicContact CD2-CD1 4.32Å; F89-L238 HydrophobicContact CE1-CD1 4.49Å; F89-L238 HydrophobicContact CE1-CD2 3.84Å; F89-L238 HydrophobicContact CE2-CB 4.16Å; F89-L238 HydrophobicContact CE2-CD1 4.08Å; F89-L238 HydrophobicContact CE2-CD2 4.29Å; F89-L238 HydrophobicContact CE2-CG 4.41Å; F89-L238 HydrophobicContact CZ-CB 4.21Å; F89-L238 HydrophobicContact CZ-CD1 4.19Å; F89-L238 HydrophobicContact CZ-CD2 3.62Å; F89-L238 HydrophobicContact CZ-CG 4.22Å; I213-L238 HydrophobicContact CG2-CD1 3.63Å; I213-L238 HydrophobicContact CG2-CG 3.94Å; L214-L238 PolarHBondContact O-N 2.82Å; E216-L238 PolarHBondContact N-O 2.83Å; E236-L238 HydrophobicContact CG-CD2 3.8Å; E236-L238 WeakPolarHBondContact OE1-CD2 3.32Å; L238-I240 HydrophobicContact CB-CG2 3.94Å; L238-I240 PolarHBondContact O-N 2.9Å; L238-L245 HydrophobicContact CD1-CD1 4.13Å; L238-I250 HydrophobicContact CD1-CD1 3.54Å; L238-I250 HydrophobicContact CD1-CG1 4.21Å
239Q93.4Very high88.3Confident100 Ų10057.6 Ų57.647%0.46726%0.262SS..EExtended strand (participates in β ladder)trans-85.190.2170.4-170.8-175.5-9.100109.7E216 T219E216-Q239 CarbonylContact O-C 3.57Å; E216-Q239 WeakPolarHBondContact O-CA 3.41Å; T219-Q239 VanDerWaalsContact CG2-OE1 3.3Å
240I94.2Very high89.8Confident10 Ų1046.3 Ų46.35%0.05122%0.22CC..  trans-155.2148-174.9-169.1169.6000111P87 F89 Y90 V215 E216 L238 L245P87-I240 HydrophobicContact CG-CD1 4.48Å; F89-I240 HydrophobicContact CD2-CD1 3.66Å; F89-I240 HydrophobicContact CE2-CB 4.27Å; F89-I240 HydrophobicContact CE2-CD1 3.79Å; F89-I240 HydrophobicContact CE2-CG2 4.18Å; Y90-I240 HydrophobicContact CD2-CD1 4.12Å; Y90-I240 HydrophobicContact CD2-CG1 4.49Å; V215-I240 HydrophobicContact CG1-CG2 4.03Å; E216-I240 CarbonylContact C-O 3.48Å; E216-I240 PolarHBondContact O-N 2.85Å; L238-I240 HydrophobicContact CB-CG2 3.94Å; L238-I240 PolarHBondContact O-N 2.9Å; I240-L245 HydrophobicContact CD1-CB 4.29Å; I240-L245 HydrophobicContact CD1-CD1 4.27Å; I240-L245 HydrophobicContact CG2-CB 4.32Å; I240-L245 HydrophobicContact CG2-CD1 4.05Å; I240-L245 HydrophobicContact CG2-CD2 4.39Å; I240-L245 HydrophobicContact CG2-CG 4.49Å
241D95.6Very high90.8Very high30 Ų3045.1 Ų45.116%0.1622%0.221CC..  trans-73.1131167.8-162.2-41.7000109.9K217 Q243 H244 L245K217-D241 HydrophobicContact CD-CB 4.44Å; K217-D241 WeakPolarHBondContact CD-OD2 3.49Å; K217-D241 WeakPolarHBondContact CE-OD2 3.47Å; K217-D241 HydrophobicContact CG-CB 4.48Å; K217-D241 IonicContact NZ-OD2 3.72Å; K217-D241 PolarHBondContact NZ-OD2 2.84Å; D241-Q243 HydrophobicContact CB-CB 4.49Å; D241-Q243 PolarHBondContact O-N 2.85Å; D241-Q243 VanDerWaalsContact O-N 3.1Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.49Å; D241-Q243 PolarHBondContact OD1-N 3.16Å; D241-H244 PolarHBondContact O-N 3.42Å; D241-L245 PolarHBondContact O-N 3.32Å
242I97.6Very high91.7Very high11 Ų1136.6 Ų36.66%0.05619%0.186CC..G310 helixtrans-55.6-31.1177.9-52.8170.9000110.3N95 F189 V215 H244 L245 L267 A271 L274 A275 C278N95-I242 PolarHBondContact ND2-O 3.29Å; F189-I242 HydrophobicContact CB-CD1 4.03Å; F189-I242 HydrophobicContact CD1-CD1 3.72Å; F189-I242 HydrophobicContact CD1-CG1 3.96Å; F189-I242 HydrophobicContact CD1-CG2 4.06Å; F189-I242 HydrophobicContact CE1-CG2 4.03Å; F189-I242 HydrophobicContact CG-CD1 4.31Å; V215-I242 HydrophobicContact CG1-CG1 3.96Å; I242-H244 PolarHBondContact O-N 3.39Å; I242-L245 PolarHBondContact O-N 3.11Å; I242-L267 HydrophobicContact CD1-CD1 3.97Å; I242-A271 HydrophobicContact CD1-CB 4.21Å; I242-L274 HydrophobicContact CB-CB 4.06Å; I242-L274 HydrophobicContact CG2-CB 3.75Å; I242-A275 HydrophobicContact CG2-CB 4.4Å; I242-C278 HydrophobicContact CG2-CB 4.19Å
243Q96.7Very high92.4Very high31 Ų3133 Ų3315%0.14517%0.167CC..G310 helixtrans-50.8-30174.5-174.5177.5-31.700113.5D93 I94 N95 A96 D241 L274D93-Q243 CarbonylContact C-O 3.5Å; D93-Q243 PolarHBondContact OD1-NE2 2.93Å; I94-Q243 PolarHBondContact N-O 3.43Å; N95-Q243 PolarHBondContact N-O 3Å; N95-Q243 VanDerWaalsContact N-O 3.09Å; A96-Q243 HydrophobicContact CB-CG 3.89Å; D241-Q243 HydrophobicContact CB-CB 4.49Å; D241-Q243 PolarHBondContact O-N 2.85Å; D241-Q243 VanDerWaalsContact O-N 3.1Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.49Å; D241-Q243 PolarHBondContact OD1-N 3.16Å; Q243-L274 HydrophobicContact CB-CD1 4.05Å; Q243-L274 HydrophobicContact CB-CD2 4.17Å; Q243-L274 HydrophobicContact CG-CD2 4.39Å
244H97Very high92.3Very high31 Ų3139.1 Ų39.114%0.14419%0.188CC..G310 helixtrans-114.52.6-174.5-50.1-40.6000114.3Y90 I91 D93 D241 I242Y90-H244 WeakPolarHBondContact CA-O 3.05Å; Y90-H244 HydrophobicContact CD2-CB 3.66Å; Y90-H244 HydrophobicContact CE2-CB 3.48Å; Y90-H244 VanDerWaalsContact CE2-CB 3.48Å; Y90-H244 AromaticContact CE2-CD2 3.39Å; Y90-H244 WeakPolarHBondContact CE2-CD2 3.43Å; Y90-H244 AromaticContact CE2-CG 3.55Å; Y90-H244 HydrophobicContact CG-CB 4.34Å; Y90-H244 AromaticContact CZ-CD2 3.86Å; Y90-H244 AromaticContact CZ-CG 3.86Å; I91-H244 PolarHBondContact N-O 2.6Å; I91-H244 CarbonylContact O-C 3.6Å; I91-H244 WeakPolarHBondContact O-CA 3.35Å; I91-H244 VanDerWaalsContact O-O 3.12Å; D93-H244 PolarHBondContact N-ND1 2.75Å; D93-H244 IonicContact OD1-CE1 3.68Å; D93-H244 PolarHBondContact OD1-CE1 3.01Å; D93-H244 IonicContact OD1-ND1 3.06Å; D241-H244 PolarHBondContact O-N 3.42Å; I242-H244 PolarHBondContact O-N 3.39Å
245L97.4Very high92Very high0 Ų041.9 Ų41.90%020%0.196CC..BIsolated β-bridgetrans-83121.9-173175.359.2000112F89 N95 F189 V215 L238 I240 D241 I242 L247 I250F89-L245 HydrophobicContact CB-CD1 4.42Å; F89-L245 HydrophobicContact CD2-CD1 3.75Å; F89-L245 HydrophobicContact CE2-CD1 4.49Å; F89-L245 HydrophobicContact CG-CD1 4.39Å; N95-L245 PolarHBondContact ND2-O 3.48Å; F189-L245 HydrophobicContact CE1-CD2 4.32Å; V215-L245 HydrophobicContact CB-CD2 4.31Å; V215-L245 HydrophobicContact CG1-CD2 3.74Å; V215-L245 HydrophobicContact CG2-CD2 3.57Å; L238-L245 HydrophobicContact CD1-CD1 4.13Å; I240-L245 HydrophobicContact CD1-CB 4.29Å; I240-L245 HydrophobicContact CD1-CD1 4.27Å; I240-L245 HydrophobicContact CG2-CB 4.32Å; I240-L245 HydrophobicContact CG2-CD1 4.05Å; I240-L245 HydrophobicContact CG2-CD2 4.39Å; I240-L245 HydrophobicContact CG2-CG 4.49Å; D241-L245 PolarHBondContact O-N 3.32Å; I242-L245 PolarHBondContact O-N 3.11Å; L245-L247 HydrophobicContact CD1-CD2 4.47Å; L245-L247 HydrophobicContact CD2-CD2 3.9Å; L245-L247 HydrophobicContact CG-CD2 4.13Å; L245-I250 HydrophobicContact CD1-CD1 4.31Å
246C96.3Very high91.3Very high7 Ų741.6 Ų41.65%0.04720%0.204CC..  trans-107.3102.7169.9-1750000111F89 I91 I94 N248 K249F89-C246 PolarHBondContact O-N 2.77Å; I91-C246 HydrophobicContact CB-CB 4.48Å; I91-C246 HydrophobicContact CD1-CB 3.69Å; I91-C246 HydrophobicContact CG1-CB 3.96Å; I94-C246 HydrophobicContact CD1-CB 4.12Å; C246-N248 PolarHBondContact O-N 2.82Å; C246-K249 HydrophobicContact CB-CG 4.48Å; C246-K249 PolarHBondContact O-N 2.88Å; C246-K249 VanDerWaalsContact O-N 3.15Å
247L95.2Very high90.7Very high0 Ų044.4 Ų44.40%022%0.216CC..G310 helixtrans-60.2-31.9-178.8-67.5179.3000113.2V187 F189 L245 K249 I250 L253 L279 Y283V187-L247 HydrophobicContact CG1-CD2 4.38Å; F189-L247 HydrophobicContact CZ-CD1 4.47Å; L245-L247 HydrophobicContact CD1-CD2 4.47Å; L245-L247 HydrophobicContact CD2-CD2 3.9Å; L245-L247 HydrophobicContact CG-CD2 4.13Å; L247-K249 PolarHBondContact O-N 3.48Å; L247-K249 VanDerWaalsContact O-N 3.17Å; L247-I250 HydrophobicContact CD2-CD1 3.61Å; L247-I250 WeakPolarHBondContact O-CB 3.01Å; L247-I250 PolarHBondContact O-N 2.83Å; L247-I250 VanDerWaalsContact O-N 3.07Å; L247-L253 HydrophobicContact CB-CD1 3.82Å; L247-L253 HydrophobicContact CD2-CD1 4.11Å; L247-L253 HydrophobicContact CG-CD1 4.4Å; L247-L279 HydrophobicContact CD1-CD2 4.1Å; L247-Y283 HydrophobicContact CB-CD2 3.48Å; L247-Y283 VanDerWaalsContact CB-CD2 3.48Å; L247-Y283 HydrophobicContact CB-CE2 4.15Å; L247-Y283 HydrophobicContact CB-CG 3.94Å; L247-Y283 HydrophobicContact CD1-CD1 4.49Å; L247-Y283 HydrophobicContact CD1-CD2 4.4Å; L247-Y283 HydrophobicContact CD1-CG 4.06Å
248N90.8Very high90.4Very high27 Ų2742.3 Ų42.314%0.14421%0.208CC..G310 helixtrans-64.5-19.6179.1-68-42.8000114.6C246 T282 Y283 S286C246-N248 PolarHBondContact O-N 2.82Å; N248-T282 PolarHBondContact ND2-O 3.48Å; N248-Y283 WeakPolarHBondContact OD1-CD2 3.42Å; N248-Y283 WeakPolarHBondContact OD1-CE2 3.48Å; N248-S286 WeakPolarHBondContact ND2-CB 3.43Å; N248-S286 PolarHBondContact ND2-OG 3.21Å; N248-S286 PolarHBondContact OD1-OG 3.42Å
249K92.4Very high90.3Very high96 Ų9642.8 Ų42.842%0.41721%0.212SC..G310 helixtrans-92.4-0.8178.6-73.7-164.5174.5-179.70112.7D88 F89 I91 C246 L247D88-K249 WeakPolarHBondContact O-CD 3.46Å; F89-K249 HydrophobicContact CB-CB 3.96Å; I91-K249 HydrophobicContact CD1-CD 4.13Å; I91-K249 HydrophobicContact CG1-CD 4.41Å; C246-K249 HydrophobicContact CB-CG 4.48Å; C246-K249 PolarHBondContact O-N 2.88Å; C246-K249 VanDerWaalsContact O-N 3.15Å; L247-K249 PolarHBondContact O-N 3.48Å; L247-K249 VanDerWaalsContact O-N 3.17Å
250I91.9Very high90.4Very high0 Ų038 Ų380%019%0.189CC..SBendtrans-81121.6173.3-53.7174.2000108F89 I213 L238 L245 L247 V252 L253 R254F89-I250 HydrophobicContact CB-CG1 3.96Å; F89-I250 HydrophobicContact CD1-CG1 4.37Å; F89-I250 HydrophobicContact CG-CG1 4.23Å; I213-I250 HydrophobicContact CD1-CD1 3.99Å; I213-I250 HydrophobicContact CD1-CG2 4.15Å; I213-I250 HydrophobicContact CG2-CD1 4.31Å; L238-I250 HydrophobicContact CD1-CD1 3.54Å; L238-I250 HydrophobicContact CD1-CG1 4.21Å; L245-I250 HydrophobicContact CD1-CD1 4.31Å; L247-I250 HydrophobicContact CD2-CD1 3.61Å; L247-I250 WeakPolarHBondContact O-CB 3.01Å; L247-I250 PolarHBondContact O-N 2.83Å; L247-I250 VanDerWaalsContact O-N 3.07Å; I250-V252 VanDerWaalsContact C-N 3.31Å; I250-V252 HydrophobicContact CG2-CG1 3.84Å; I250-V252 PolarHBondContact O-N 2.96Å; I250-L253 HydrophobicContact CB-CB 4.49Å; I250-L253 HydrophobicContact CB-CD1 4.41Å; I250-L253 HydrophobicContact CB-CG 4.47Å; I250-L253 HydrophobicContact CD1-CD1 4.15Å; I250-L253 PolarHBondContact O-N 2.88Å; I250-L253 VanDerWaalsContact O-N 3.07Å; I250-R254 PolarHBondContact O-N 3.29Å
251P87.6Confident90.6Very high62 Ų6237.5 Ų37.540%0.40319%0.187SC..Hα-helixtrans-52.3-45.4-173-29.335.5000113.9L253 R254 E255P251-L253 VanDerWaalsContact C-N 3.29Å; P251-L253 PolarHBondContact O-N 3.21Å; P251-R254 PolarHBondContact O-N 3.11Å; P251-E255 WeakPolarHBondContact O-CB 3.27Å; P251-E255 PolarHBondContact O-N 2.54Å
252V85.8Confident90.7Very high30 Ų3036.1 Ų36.118%0.18218%0.179CC..Hα-helixtrans-60.9-35.6-178.773.70000113.3H211 I213 I250 G256H211-V252 HydrophobicContact CB-CG2 4.24Å; H211-V252 WeakPolarHBondContact CD2-CG2 3.38Å; I213-V252 HydrophobicContact CD1-CG1 3.94Å; I213-V252 HydrophobicContact CG1-CG1 4.49Å; I250-V252 VanDerWaalsContact C-N 3.31Å; I250-V252 HydrophobicContact CG2-CG1 3.84Å; I250-V252 PolarHBondContact O-N 2.96Å; V252-G256 WeakPolarHBondContact O-CA 3.47Å; V252-G256 PolarHBondContact O-N 3.5Å
253L88.1Confident90.8Very high0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-80.8-36.7178.9-67.6-176.9000111.8C185 I213 L247 I250 P251 V260 Y283C185-L253 HydrophobicContact CB-CD2 3.63Å; C185-L253 VanDerWaalsContact SG-CD2 3.55Å; I213-L253 HydrophobicContact CD1-CD1 3.7Å; I213-L253 HydrophobicContact CD1-CD2 4.18Å; I213-L253 HydrophobicContact CD1-CG 3.77Å; L247-L253 HydrophobicContact CB-CD1 3.82Å; L247-L253 HydrophobicContact CD2-CD1 4.11Å; L247-L253 HydrophobicContact CG-CD1 4.4Å; I250-L253 HydrophobicContact CB-CB 4.49Å; I250-L253 HydrophobicContact CB-CD1 4.41Å; I250-L253 HydrophobicContact CB-CG 4.47Å; I250-L253 HydrophobicContact CD1-CD1 4.15Å; I250-L253 PolarHBondContact O-N 2.88Å; I250-L253 VanDerWaalsContact O-N 3.07Å; P251-L253 VanDerWaalsContact C-N 3.29Å; P251-L253 PolarHBondContact O-N 3.21Å; L253-V260 HydrophobicContact CD1-CG2 4.27Å; L253-V260 HydrophobicContact CD2-CG2 3.66Å; L253-Y283 HydrophobicContact CB-CE2 4.17Å; L253-Y283 HydrophobicContact CD1-CE2 4.14Å
254R81.3Confident90.8Very high142 Ų14234.1 Ų34.154%0.53617%0.17SC..Hα-helixtrans-66.1-44.6178.7-171.8-178.165.6-167.8-2.7111.9I250 P251I250-R254 PolarHBondContact O-N 3.29Å; P251-R254 PolarHBondContact O-N 3.11Å
255E81.2Confident90.6Very high135 Ų13534.6 Ų34.663%0.63117%0.172SC*.Hα-helixtrans-91.1-39.2-173.8-68.9160.2-152.800111.9P251 K257P251-E255 WeakPolarHBondContact O-CB 3.27Å; P251-E255 PolarHBondContact O-N 2.54Å; E255-K257 PolarHBondContact O-N 3.3Å
256G75.4Confident90Very high35 Ų3537.2 Ų37.236%0.36118%0.184SC..Hα-helixtrans-77.5-19.2-17400000115.2V252 L258V252-G256 WeakPolarHBondContact O-CA 3.47Å; V252-G256 PolarHBondContact O-N 3.5Å; G256-L258 PolarHBondContact O-N 2.92Å
257K80.4Confident89.5Confident126 Ų12637 Ų3755%0.54818%0.182SC..  trans40.742.8-172.2-64.7-173.6-179.7-177.60112.2E255 W324E255-K257 PolarHBondContact O-N 3.3Å; K257-W324 VanDerWaalsContact C-CZ2 3.41Å; K257-W324 HydrophobicContact CB-CH2 4.02Å; K257-W324 HydrophobicContact CB-CZ2 3.77Å; K257-W324 HydrophobicContact CG-CH2 4.37Å; K257-W324 VanDerWaalsContact O-CE2 3.26Å; K257-W324 WeakPolarHBondContact O-CZ2 3.24Å; K257-W324 PolarHBondContact O-NE1 3.08Å; K257-W324 VanDerWaalsContact O-NE1 3.09Å
258L85.3Confident89.2Confident9 Ų939.3 Ų39.35%0.04720%0.197CC..PPolyproline II helixtrans-82.5129.9180-61.3179.4000109.1R183 C185 H211 G256 V260R183-L258 HydrophobicContact CB-CD2 4.05Å; C185-L258 HydrophobicContact CB-CB 4.14Å; H211-L258 HydrophobicContact CB-CD1 4.44Å; H211-L258 WeakPolarHBondContact ND1-CD1 3.25Å; G256-L258 PolarHBondContact O-N 2.92Å; L258-V260 PolarHBondContact O-N 2.81Å
259P92.2Very high89.1Confident16 Ų1638 Ų3810%0.10419%0.19CC..PPolyproline II helixtrans-57.4129.3172.2-27.837.5000111.3R184 C185 P326 A328R184-P259 VanDerWaalsContact NH1-CG 3.3Å; C185-P259 PolarHBondContact N-O 3.23Å; C185-P259 VanDerWaalsContact N-O 3.07Å; P259-P326 CarbonylContact C-O 3.59Å; P259-P326 WeakPolarHBondContact CA-O 3.23Å; P259-A328 HydrophobicContact CB-CB 3.79Å
260V96.3Very high89.1Confident0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-86136.3-177.5168.50000110.7C185 V187 L253 L258 L279 Y283 P326 V327 A328C185-V260 HydrophobicContact CB-CG2 4.33Å; C185-V260 CarbonylContact O-C 3.44Å; C185-V260 VanDerWaalsContact O-CA 3.25Å; C185-V260 WeakPolarHBondContact O-CA 3.45Å; V187-V260 HydrophobicContact CB-CG1 4.31Å; V187-V260 HydrophobicContact CG2-CG1 3.65Å; L253-V260 HydrophobicContact CD1-CG2 4.27Å; L253-V260 HydrophobicContact CD2-CG2 3.66Å; L258-V260 PolarHBondContact O-N 2.81Å; V260-L279 HydrophobicContact CG1-CD2 3.6Å; V260-Y283 HydrophobicContact CB-CD1 4.46Å; V260-Y283 HydrophobicContact CB-CE1 3.85Å; V260-Y283 HydrophobicContact CG2-CD1 4.25Å; V260-Y283 HydrophobicContact CG2-CE1 3.39Å; V260-P326 PolarHBondContact N-O 3.4Å; V260-V327 CarbonylContact O-C 3.59Å; V260-V327 WeakPolarHBondContact O-CA 3.44Å; V260-A328 PolarHBondContact O-N 3.12Å
261V98.1Very high89.3Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-113.4112.1166.6-173.20000108.3L179 C185 F186 V187 I263 A328 G329L179-V261 HydrophobicContact CB-CG1 4.25Å; L179-V261 HydrophobicContact CB-CG2 4.37Å; L179-V261 HydrophobicContact CD1-CG1 3.98Å; L179-V261 HydrophobicContact CD2-CG2 4.28Å; C185-V261 PolarHBondContact O-N 3.22Å; F186-V261 WeakPolarHBondContact CA-O 3.47Å; F186-V261 HydrophobicContact CD1-CB 3.72Å; F186-V261 HydrophobicContact CD1-CG1 4.01Å; F186-V261 HydrophobicContact CD1-CG2 4.38Å; F186-V261 HydrophobicContact CE1-CB 3.78Å; F186-V261 HydrophobicContact CE1-CG1 3.89Å; F186-V261 HydrophobicContact CE1-CG2 4.03Å; F186-V261 HydrophobicContact CG-CB 4.45Å; F186-V261 HydrophobicContact CZ-CG2 4.37Å; V187-V261 PolarHBondContact N-O 3.42Å; V261-I263 HydrophobicContact CG1-CG2 3.94Å; V261-A328 HydrophobicContact CG2-CB 4.09Å; V261-G329 WeakPolarHBondContact CA-O 3.32Å
262G98.4Very high89.8Confident0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-83.3121.7177.500000111G329 I330 V331G262-G329 PolarHBondContact N-O 3.27Å; G262-I330 CarbonylContact O-C 3.41Å; G262-I330 WeakPolarHBondContact O-CA 3.34Å; G262-V331 PolarHBondContact O-N 3.01Å
263I98.6Very high90.3Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-127.5152.4-177.465.5178.9000112.5I174 F186 V187 E188 F189 L196 V200 V261 V331I174-I263 HydrophobicContact CD1-CG2 3.84Å; F186-I263 HydrophobicContact CB-CD1 4.39Å; F186-I263 HydrophobicContact CD1-CD1 4.33Å; F186-I263 HydrophobicContact CD1-CG2 4.34Å; V187-I263 PolarHBondContact O-N 3.42Å; E188-I263 WeakPolarHBondContact CA-O 3.37Å; E188-I263 HydrophobicContact CB-CD1 4.24Å; E188-I263 HydrophobicContact CB-CG1 3.91Å; E188-I263 HydrophobicContact CG-CG1 4.19Å; F189-I263 PolarHBondContact N-O 3.02Å; L196-I263 HydrophobicContact CD2-CB 4.02Å; L196-I263 HydrophobicContact CD2-CD1 3.94Å; L196-I263 HydrophobicContact CD2-CG1 4.04Å; L196-I263 HydrophobicContact CG-CD1 4.04Å; V200-I263 HydrophobicContact CG2-CD1 4.18Å; V261-I263 HydrophobicContact CG1-CG2 3.94Å; I263-V331 CarbonylContact C-O 3.31Å; I263-V331 VanDerWaalsContact CA-O 3.26Å; I263-V331 WeakPolarHBondContact CA-O 3.39Å; I263-V331 HydrophobicContact CG2-CB 4.46Å
264G97.1Very high90.8Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-166.5138.9173.600000113.4V331 I332 A333G264-V331 PolarHBondContact N-O 2.77Å; G264-I332 WeakPolarHBondContact O-CA 3.46Å; G264-A333 PolarHBondContact O-N 2.88Å
265K92.9Very high91.6Very high42 Ų4226.5 Ų26.518%0.18314%0.141CC..EExtended strand (participates in β ladder)trans-89.6-38.7178.7-171.1-170.678.1-174.80113.5H163 Q167 I170 A333H163-K265 PolarHBondContact ND1-NZ 3.31Å; Q167-K265 HydrophobicContact CG-CD 3.66Å; Q167-K265 HydrophobicContact CG-CG 4.49Å; I170-K265 HydrophobicContact CD1-CB 3.99Å; I170-K265 HydrophobicContact CD1-CG 3.76Å; K265-A333 WeakPolarHBondContact O-CB 3.24Å
266H83.6Confident92.4Very high55 Ų5520.1 Ų20.126%0.25511%0.111SC..EExtended strand (participates in β ladder)trans-148.272.8177.9-67.3-53.1000108.8Q166 C268 C335Q166-H266 PolarHBondContact OE1-CE1 3.21Å; Q166-H266 PolarHBondContact OE1-NE2 3.19Å; H266-C268 PolarHBondContact O-N 2.91Å; H266-C268 VanDerWaalsContact O-N 3.08Å; H266-C268 PolarHBondContact O-SG 3.01Å; H266-C335 VanDerWaalsContact CA-SG 3.51Å
267L87.5Confident93.5Very high3 Ų319 Ų192%0.01610%0.096CC..EExtended strand (participates in β ladder)trans-84.389.3-179.8-167.758.2000109.5F189 I242 A271 T272 A275 I332F189-L267 HydrophobicContact CB-CD1 3.87Å; F189-L267 HydrophobicContact CB-CD2 3.66Å; F189-L267 HydrophobicContact CB-CG 4.43Å; F189-L267 HydrophobicContact CG-CD2 4.47Å; I242-L267 HydrophobicContact CD1-CD1 3.97Å; L267-A271 HydrophobicContact CD1-CB 3.52Å; L267-A271 WeakPolarHBondContact CD2-O 3.38Å; L267-A271 HydrophobicContact CG-CB 3.81Å; L267-T272 PolarHBondContact O-OG1 3.2Å; L267-A275 HydrophobicContact CD2-CB 3.6Å; L267-I332 HydrophobicContact CB-CG2 3.78Å; L267-I332 HydrophobicContact CD2-CD1 4.13Å; L267-I332 HydrophobicContact CD2-CG2 4.1Å
268C87.1Confident94.3Very high47 Ų4713 Ų1332%0.3187%0.07SC..EExtended strand (participates in β ladder)trans-68.7132.4-164.6-61.60000114.1H266 M270 A271 C335 C336H266-C268 PolarHBondContact O-N 2.91Å; H266-C268 VanDerWaalsContact O-N 3.08Å; H266-C268 PolarHBondContact O-SG 3.01Å; C268-M270 PolarHBondContact O-N 2.84Å; C268-A271 VanDerWaalsContact O-CB 3.27Å; C268-A271 WeakPolarHBondContact O-CB 3.32Å; C268-A271 PolarHBondContact O-N 3.38Å; C268-C335 PolarHBondContact SG-SG 2.93Å; C268-C336 HydrophobicContact CB-CB 3.89Å; C268-C336 VanDerWaalsContact SG-SG 3.62Å
269G89.2Confident94.8Very high0 Ų012.6 Ų12.60%07%0.068CC..THydrogen-bonded Turntrans57.8-131.4166.900000113.1A271 T272 C335 C336G269-A271 PolarHBondContact O-N 2.97Å; G269-T272 PolarHBondContact O-N 3.36Å; G269-C335 PolarHBondContact N-O 3.44Å; G269-C335 VanDerWaalsContact N-O 3.14Å; G269-C336 WeakPolarHBondContact CA-O 3.33Å
270M93Very high95Very high65 Ų6512.2 Ų12.232%0.327%0.065SC..Hα-helixtrans-56.8-22.1179.765.6178.565.700114.5C268 T272 D273 L274 R339 D341 H344C268-M270 PolarHBondContact O-N 2.84Å; M270-T272 PolarHBondContact O-N 2.78Å; M270-D273 PolarHBondContact O-N 2.94Å; M270-D273 VanDerWaalsContact O-N 3.15Å; M270-L274 HydrophobicContact CG-CD1 4.37Å; M270-L274 VanDerWaalsContact O-CG 3.28Å; M270-L274 WeakPolarHBondContact O-CG 3.48Å; M270-L274 PolarHBondContact O-N 3.09Å; M270-R339 PolarHBondContact N-O 2.93Å; M270-R339 VanDerWaalsContact N-O 3.15Å; M270-D341 HydrophobicContact CE-CB 3.57Å; M270-H344 HydrophobicContact CB-CB 3.88Å
271A96.4Very high94.8Very high21 Ų2115.7 Ų15.717%0.1748%0.082CC..Hα-helixtrans-62-30.7-179.300000112.2I242 L267 C268 G269 A275I242-A271 HydrophobicContact CD1-CB 4.21Å; L267-A271 HydrophobicContact CD1-CB 3.52Å; L267-A271 WeakPolarHBondContact CD2-O 3.38Å; L267-A271 HydrophobicContact CG-CB 3.81Å; C268-A271 VanDerWaalsContact O-CB 3.27Å; C268-A271 WeakPolarHBondContact O-CB 3.32Å; C268-A271 PolarHBondContact O-N 3.38Å; G269-A271 PolarHBondContact O-N 2.97Å; A271-A275 WeakPolarHBondContact O-CB 3.03Å; A271-A275 PolarHBondContact O-N 2.95Å
272T97.2Very high94.4Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-62.9-51.5174.2-72.90000110.3L267 G269 M270 L274 A275 L276 L334L267-T272 PolarHBondContact O-OG1 3.2Å; G269-T272 PolarHBondContact O-N 3.36Å; M270-T272 PolarHBondContact O-N 2.78Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 3.42Å; T272-A275 PolarHBondContact O-N 3.26Å; T272-A275 VanDerWaalsContact O-N 3.15Å; T272-L276 HydrophobicContact CG2-CD1 4.35Å; T272-L276 WeakPolarHBondContact O-CG 3.35Å; T272-L276 PolarHBondContact O-N 3.31Å; T272-L334 HydrophobicContact CG2-CD2 3.75Å
273D97.8Very high94Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-66.5-38.2-176.9-53.2-79000111.6M270 A275 L276 R277 H344 Y345 V346 R439M270-D273 PolarHBondContact O-N 2.94Å; M270-D273 VanDerWaalsContact O-N 3.15Å; D273-A275 PolarHBondContact O-N 3Å; D273-L276 PolarHBondContact O-N 2.89Å; D273-R277 PolarHBondContact O-N 2.62Å; D273-R277 VanDerWaalsContact O-N 3.08Å; D273-H344 WeakPolarHBondContact CB-O 3.4Å; D273-Y345 WeakPolarHBondContact OD1-CD2 3.47Å; D273-V346 HydrophobicContact CB-CG1 4.12Å; D273-R439 IonicContact OD1-CZ 2.79Å; D273-R439 IonicContact OD1-NE 3.93Å; D273-R439 PolarHBondContact OD1-NE 3.25Å; D273-R439 IonicContact OD1-NH2 2.79Å; D273-R439 IonicContact OD2-CZ 2.77Å; D273-R439 IonicContact OD2-NE 2.91Å; D273-R439 IonicContact OD2-NH2 3.33Å; D273-R439 PolarHBondContact OD2-NH2 3.28Å
274L98Very high93.5Very high3 Ų317.3 Ų17.32%0.0169%0.092CC..Hα-helixtrans-59.6-42.9171-68.9174.6000112.3N95 I242 Q243 M270 T272 R277 C278 H344N95-L274 HydrophobicContact CB-CD2 4.23Å; N95-L274 WeakPolarHBondContact O-CD2 3.42Å; I242-L274 HydrophobicContact CB-CB 4.06Å; I242-L274 HydrophobicContact CG2-CB 3.75Å; Q243-L274 HydrophobicContact CB-CD1 4.05Å; Q243-L274 HydrophobicContact CB-CD2 4.17Å; Q243-L274 HydrophobicContact CG-CD2 4.39Å; M270-L274 HydrophobicContact CG-CD1 4.37Å; M270-L274 VanDerWaalsContact O-CG 3.28Å; M270-L274 WeakPolarHBondContact O-CG 3.48Å; M270-L274 PolarHBondContact O-N 3.09Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 3.42Å; L274-R277 PolarHBondContact O-N 3.37Å; L274-C278 VanDerWaalsContact O-CB 3.26Å; L274-C278 WeakPolarHBondContact O-CB 3.49Å; L274-C278 PolarHBondContact O-N 2.9Å; L274-H344 HydrophobicContact CD2-CB 4.49Å
275A98.3Very high92.8Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-69-38.3178.700000112.3F189 I242 L267 A271 T272 D273 C278 L279F189-A275 HydrophobicContact CB-CB 4.2Å; F189-A275 HydrophobicContact CD1-CB 3.8Å; F189-A275 HydrophobicContact CD2-CB 3.88Å; F189-A275 HydrophobicContact CE1-CB 4.05Å; F189-A275 HydrophobicContact CE2-CB 4.14Å; F189-A275 HydrophobicContact CG-CB 3.69Å; F189-A275 HydrophobicContact CZ-CB 4.21Å; I242-A275 HydrophobicContact CG2-CB 4.4Å; L267-A275 HydrophobicContact CD2-CB 3.6Å; A271-A275 WeakPolarHBondContact O-CB 3.03Å; A271-A275 PolarHBondContact O-N 2.95Å; T272-A275 PolarHBondContact O-N 3.26Å; T272-A275 VanDerWaalsContact O-N 3.15Å; D273-A275 PolarHBondContact O-N 3Å; A275-C278 WeakPolarHBondContact O-CB 3.31Å; A275-C278 PolarHBondContact O-N 2.99Å; A275-L279 WeakPolarHBondContact O-CG 3.38Å; A275-L279 PolarHBondContact O-N 3.23Å
276L97.9Very high92.3Very high0 Ų017.4 Ų17.40%010%0.1CC..Hα-helixtrans-61-45.4174.6-67.4-179.3000111.2T272 D273 L279 I280 I330 I332 V346 R439 Y442 L443 L467T272-L276 HydrophobicContact CG2-CD1 4.35Å; T272-L276 WeakPolarHBondContact O-CG 3.35Å; T272-L276 PolarHBondContact O-N 3.31Å; D273-L276 PolarHBondContact O-N 2.89Å; L276-L279 PolarHBondContact O-N 3.39Å; L276-I280 VanDerWaalsContact O-CB 3.31Å; L276-I280 WeakPolarHBondContact O-CB 3.5Å; L276-I280 WeakPolarHBondContact O-CD1 3.16Å; L276-I280 WeakPolarHBondContact O-CG1 3.46Å; L276-I280 PolarHBondContact O-N 2.98Å; L276-I330 HydrophobicContact CD2-CD1 4.03Å; L276-I330 HydrophobicContact CD2-CG2 4.15Å; L276-I332 HydrophobicContact CD2-CD1 4.47Å; L276-V346 HydrophobicContact CB-CG1 4.48Å; L276-V346 HydrophobicContact CD1-CG2 4Å; L276-R439 HydrophobicContact CD1-CB 4.25Å; L276-R439 HydrophobicContact CD1-CG 4.3Å; L276-Y442 HydrophobicContact CB-CE1 4.13Å; L276-L443 HydrophobicContact CD2-CD1 4.38Å; L276-L443 HydrophobicContact CD2-CD2 4.28Å; L276-L467 HydrophobicContact CD1-CD2 4.27Å; L276-L467 HydrophobicContact CD2-CD2 4.41Å
277R97.2Very high92Very high12 Ų1215.8 Ų15.85%0.0459%0.093CC..Hα-helixtrans-63.8-41.1173-66.3-162.6-164.3114.4-4.8112.4N95 A96 G97 D273 L274 L279 I280 E281 T282 R343 H344 Y345 V346N95-R277 HydrophobicContact CB-CB 4.33Å; N95-R277 PolarHBondContact O-NH1 3.06Å; A96-R277 PolarHBondContact O-NH1 2.71Å; A96-R277 VanDerWaalsContact O-NH1 3.11Å; G97-R277 VanDerWaalsContact CA-CZ 3.45Å; G97-R277 VanDerWaalsContact N-NH1 3.17Å; D273-R277 PolarHBondContact O-N 2.62Å; D273-R277 VanDerWaalsContact O-N 3.08Å; L274-R277 PolarHBondContact O-N 3.37Å; R277-L279 VanDerWaalsContact C-N 3.32Å; R277-L279 PolarHBondContact O-N 2.89Å; R277-I280 PolarHBondContact O-N 2.95Å; R277-E281 WeakPolarHBondContact CD-OE2 3.11Å; R277-E281 PolarHBondContact O-N 3.15Å; R277-T282 PolarHBondContact O-N 2.84Å; R277-T282 VanDerWaalsContact O-N 3.12Å; R277-R343 PolarHBondContact NH2-O 2.65Å; R277-H344 PolarHBondContact NH1-O 3.16Å; R277-H344 PolarHBondContact NH2-O 3.2Å; R277-Y345 PolarHBondContact NH2-O 3.28Å; R277-V346 HydrophobicContact CG-CG1 3.62Å
278C97.6Very high91.1Very high0 Ų022.3 Ų22.30%012%0.123CC..Iπ-helixtrans-56.9-44.1177.7-172.10000112.5N95 F189 I242 L274 A275 T282 Y283N95-C278 WeakPolarHBondContact OD1-CA 3.14Å; N95-C278 PolarHBondContact OD1-N 3.28Å; F189-C278 HydrophobicContact CE1-CB 4.28Å; F189-C278 HydrophobicContact CZ-CB 4.33Å; I242-C278 HydrophobicContact CG2-CB 4.19Å; L274-C278 VanDerWaalsContact O-CB 3.26Å; L274-C278 WeakPolarHBondContact O-CB 3.49Å; L274-C278 PolarHBondContact O-N 2.9Å; A275-C278 WeakPolarHBondContact O-CB 3.31Å; A275-C278 PolarHBondContact O-N 2.99Å; C278-T282 WeakPolarHBondContact CA-OG1 3.33Å; C278-T282 PolarHBondContact O-OG1 3.18Å; C278-T282 VanDerWaalsContact O-OG1 3.05Å; C278-Y283 WeakPolarHBondContact O-CB 3.16Å; C278-Y283 PolarHBondContact O-N 3.37Å; C278-Y283 VanDerWaalsContact O-N 3.11Å
279L97.1Very high89.7Confident0 Ų027.1 Ų27.10%014%0.141CC..Iπ-helixtrans-73.3-41.1178.7-70.4169.5000112.6F189 L247 V260 A275 L276 R277 Y283 A284 V327 I330F189-L279 HydrophobicContact CE2-CD1 3.9Å; F189-L279 HydrophobicContact CE2-CD2 3.93Å; F189-L279 HydrophobicContact CE2-CG 3.86Å; F189-L279 HydrophobicContact CZ-CD2 4.1Å; F189-L279 HydrophobicContact CZ-CG 4.01Å; L247-L279 HydrophobicContact CD1-CD2 4.1Å; V260-L279 HydrophobicContact CG1-CD2 3.6Å; A275-L279 WeakPolarHBondContact O-CG 3.38Å; A275-L279 PolarHBondContact O-N 3.23Å; L276-L279 PolarHBondContact O-N 3.39Å; R277-L279 VanDerWaalsContact C-N 3.32Å; R277-L279 PolarHBondContact O-N 2.89Å; L279-Y283 WeakPolarHBondContact O-CB 3.46Å; L279-A284 WeakPolarHBondContact O-CB 3.04Å; L279-A284 PolarHBondContact O-N 2.95Å; L279-V327 HydrophobicContact CB-CG2 4.33Å; L279-V327 WeakPolarHBondContact O-CG2 3.1Å; L279-I330 HydrophobicContact CD1-CD1 3.97Å; L279-I330 HydrophobicContact CD1-CG1 3.99Å; L279-I330 HydrophobicContact CD1-CG2 4.39Å
280I94.7Very high88Confident9 Ų933.5 Ų33.55%0.04617%0.165CC..Iπ-helixtrans-100-52-164.4-62165000111.9L276 R277 A284 A285 I330 Y442 L443 K446 F448L276-I280 VanDerWaalsContact O-CB 3.31Å; L276-I280 WeakPolarHBondContact O-CB 3.5Å; L276-I280 WeakPolarHBondContact O-CD1 3.16Å; L276-I280 WeakPolarHBondContact O-CG1 3.46Å; L276-I280 PolarHBondContact O-N 2.98Å; R277-I280 PolarHBondContact O-N 2.95Å; I280-A284 WeakPolarHBondContact O-CB 3.33Å; I280-A285 PolarHBondContact O-N 3.11Å; I280-A285 VanDerWaalsContact O-N 3.14Å; I280-I330 HydrophobicContact CD1-CD1 4.12Å; I280-I330 HydrophobicContact CG1-CD1 4.44Å; I280-Y442 HydrophobicContact CD1-CE1 3.92Å; I280-L443 HydrophobicContact CD1-CD2 3.36Å; I280-K446 HydrophobicContact CG2-CB 3.61Å; I280-K446 HydrophobicContact CG2-CD 3.86Å; I280-K446 HydrophobicContact CG2-CG 3.69Å; I280-F448 HydrophobicContact CD1-CE2 4.4Å; I280-F448 HydrophobicContact CG1-CE2 4.11Å; I280-F448 HydrophobicContact CG1-CZ 4.43Å
281E92.4Very high86Confident73 Ų7337.2 Ų37.234%0.34119%0.186SC..Iπ-helixtrans-85.3-36.1-172.3-62.3-169.6153.100112.2R277 A285 Y442 K446R277-E281 WeakPolarHBondContact CD-OE2 3.11Å; R277-E281 PolarHBondContact O-N 3.15Å; E281-A285 VanDerWaalsContact O-CB 3.25Å; E281-A285 WeakPolarHBondContact O-CB 3.39Å; E281-Y442 VanDerWaalsContact CD-OH 3.31Å; E281-Y442 VanDerWaalsContact CG-OH 3.24Å; E281-Y442 WeakPolarHBondContact CG-OH 3.37Å; E281-Y442 PolarHBondContact OE1-OH 2.85Å; E281-K446 WeakPolarHBondContact OE1-CE 3.21Å; E281-K446 IonicContact OE1-NZ 2.85Å; E281-K446 PolarHBondContact OE1-NZ 3.41Å
282T89.5Confident83.4Confident21 Ų2144.2 Ų44.213%0.12922%0.215CC..Iπ-helixtrans-99.3-37.1-175.863.90000111.9I94 N95 N248 R277 C278I94-T282 HydrophobicContact CD1-CG2 3.95Å; I94-T282 HydrophobicContact CG1-CG2 3.74Å; N95-T282 WeakPolarHBondContact OD1-CG2 3.25Å; N95-T282 PolarHBondContact OD1-OG1 3.26Å; N248-T282 PolarHBondContact ND2-O 3.48Å; R277-T282 PolarHBondContact O-N 2.84Å; R277-T282 VanDerWaalsContact O-N 3.12Å; C278-T282 WeakPolarHBondContact CA-OG1 3.33Å; C278-T282 PolarHBondContact O-OG1 3.18Å; C278-T282 VanDerWaalsContact O-OG1 3.05Å
283Y90.1Very high80.2Confident0 Ų052.4 Ų52.40%025%0.253CS..Iπ-helixtrans-84.4-64.8176.1-174-113.7000112.8L247 N248 L253 V260 C278 L279 S286 F287 P326 V327L247-Y283 HydrophobicContact CB-CD2 3.48Å; L247-Y283 VanDerWaalsContact CB-CD2 3.48Å; L247-Y283 HydrophobicContact CB-CE2 4.15Å; L247-Y283 HydrophobicContact CB-CG 3.94Å; L247-Y283 HydrophobicContact CD1-CD1 4.49Å; L247-Y283 HydrophobicContact CD1-CD2 4.4Å; L247-Y283 HydrophobicContact CD1-CG 4.06Å; N248-Y283 WeakPolarHBondContact OD1-CD2 3.42Å; N248-Y283 WeakPolarHBondContact OD1-CE2 3.48Å; L253-Y283 HydrophobicContact CB-CE2 4.17Å; L253-Y283 HydrophobicContact CD1-CE2 4.14Å; V260-Y283 HydrophobicContact CB-CD1 4.46Å; V260-Y283 HydrophobicContact CB-CE1 3.85Å; V260-Y283 HydrophobicContact CG2-CD1 4.25Å; V260-Y283 HydrophobicContact CG2-CE1 3.39Å; C278-Y283 WeakPolarHBondContact O-CB 3.16Å; C278-Y283 PolarHBondContact O-N 3.37Å; C278-Y283 VanDerWaalsContact O-N 3.11Å; L279-Y283 WeakPolarHBondContact O-CB 3.46Å; Y283-S286 PolarHBondContact O-N 3.05Å; Y283-S286 PolarHBondContact O-OG 2.88Å; Y283-F287 HydrophobicContact CD2-CE2 4.1Å; Y283-F287 HydrophobicContact CE1-CE2 4.33Å; Y283-F287 AromaticContact CE2-CE2 3.72Å; Y283-F287 HydrophobicContact CE2-CE2 3.72Å; Y283-F287 HydrophobicContact CE2-CZ 4.15Å; Y283-F287 AromaticContact CZ-CE2 3.84Å; Y283-F287 VanDerWaalsContact O-CD2 3.3Å; Y283-F287 WeakPolarHBondContact O-CD2 3.07Å; Y283-P326 HydrophobicContact CD1-CB 4.41Å; Y283-P326 HydrophobicContact CE1-CB 3.96Å; Y283-P326 WeakPolarHBondContact CE1-O 3.39Å; Y283-V327 HydrophobicContact CD1-CG2 3.91Å; Y283-V327 HydrophobicContact CE1-CG2 4.4Å
284A87.8Confident77.3Confident12 Ų1257.7 Ų57.710%0.09929%0.287CS..Iπ-helixtrans-62.6-47.2-173.500000113.6L279 I280 S286 F287 P326 V327L279-A284 WeakPolarHBondContact O-CB 3.04Å; L279-A284 PolarHBondContact O-N 2.95Å; I280-A284 WeakPolarHBondContact O-CB 3.33Å; A284-S286 PolarHBondContact O-N 3.14Å; A284-S286 VanDerWaalsContact O-N 3.16Å; A284-F287 PolarHBondContact O-N 3.13Å; A284-P326 HydrophobicContact CB-CG 3.7Å; A284-V327 HydrophobicContact CB-CG2 4.18Å
285A83.9Confident74.4Confident26 Ų2665.9 Ų65.922%0.21533%0.33CS..Hα-helixtrans-59.5-29.7-178.700000113.6I280 E281 F287 E288 E289I280-A285 PolarHBondContact O-N 3.11Å; I280-A285 VanDerWaalsContact O-N 3.14Å; E281-A285 VanDerWaalsContact O-CB 3.25Å; E281-A285 WeakPolarHBondContact O-CB 3.39Å; A285-F287 PolarHBondContact O-N 2.84Å; A285-F287 VanDerWaalsContact O-N 3.07Å; A285-E288 PolarHBondContact O-N 3.39Å; A285-E289 PolarHBondContact O-N 3.29Å
286S81.4Confident71.3Confident19 Ų1970.3 Ų70.313%0.13337%0.367CS..Hα-helixtrans-62.6-17.9177.178.90000114.2N248 Y283 A284 R290N248-S286 WeakPolarHBondContact ND2-CB 3.43Å; N248-S286 PolarHBondContact ND2-OG 3.21Å; N248-S286 PolarHBondContact OD1-OG 3.42Å; Y283-S286 PolarHBondContact O-N 3.05Å; Y283-S286 PolarHBondContact O-OG 2.88Å; A284-S286 PolarHBondContact O-N 3.14Å; A284-S286 VanDerWaalsContact O-N 3.16Å; S286-R290 PolarHBondContact O-NE 3.48Å; S286-R290 PolarHBondContact O-NH2 3.44Å; S286-R290 PolarHBondContact OG-NH2 3.07Å
287F77Confident68.4Low21 Ų2179.9 Ų79.99%0.09241%0.409CS..Hα-helixtrans-92.4-19.2175.5-65.6-82.9000112.8Y283 A284 A285 N291 W324 P326Y283-F287 HydrophobicContact CD2-CE2 4.1Å; Y283-F287 HydrophobicContact CE1-CE2 4.33Å; Y283-F287 AromaticContact CE2-CE2 3.72Å; Y283-F287 HydrophobicContact CE2-CE2 3.72Å; Y283-F287 HydrophobicContact CE2-CZ 4.15Å; Y283-F287 AromaticContact CZ-CE2 3.84Å; Y283-F287 VanDerWaalsContact O-CD2 3.3Å; Y283-F287 WeakPolarHBondContact O-CD2 3.07Å; A284-F287 PolarHBondContact O-N 3.13Å; A285-F287 PolarHBondContact O-N 2.84Å; A285-F287 VanDerWaalsContact O-N 3.07Å; F287-N291 PolarHBondContact O-ND2 3.47Å; F287-W324 HydrophobicContact CB-CZ3 4.36Å; F287-W324 AromaticContact CD1-CH2 3.84Å; F287-W324 HydrophobicContact CD1-CH2 3.84Å; F287-W324 AromaticContact CD1-CZ3 3.37Å; F287-W324 HydrophobicContact CD1-CZ3 3.37Å; F287-W324 HydrophobicContact CD2-CH2 4.41Å; F287-W324 HydrophobicContact CD2-CZ3 4.32Å; F287-W324 AromaticContact CE1-CH2 3.52Å; F287-W324 HydrophobicContact CE1-CH2 3.52Å; F287-W324 AromaticContact CE1-CZ3 3.55Å; F287-W324 HydrophobicContact CE1-CZ3 3.55Å; F287-W324 HydrophobicContact CE2-CH2 4.17Å; F287-W324 HydrophobicContact CE2-CZ3 4.5Å; F287-W324 HydrophobicContact CG-CH2 4.25Å; F287-W324 AromaticContact CG-CZ3 3.77Å; F287-W324 HydrophobicContact CG-CZ3 3.77Å; F287-W324 AromaticContact CZ-CH2 3.72Å; F287-W324 HydrophobicContact CZ-CH2 3.72Å; F287-W324 HydrophobicContact CZ-CZ3 4.14Å; F287-P326 HydrophobicContact CB-CG 4.48Å; F287-P326 HydrophobicContact CD2-CB 3.64Å; F287-P326 HydrophobicContact CD2-CG 4.06Å; F287-P326 HydrophobicContact CE2-CB 3.96Å; F287-P326 HydrophobicContact CG-CB 4.28Å
288E69.3Low65.3Low139 Ų13990.8 Ų90.865%0.6545%0.45SS*.Hα-helixtrans-75.8-46.8173.3-63.8179.317000109.9A285 R290 N291A285-E288 PolarHBondContact O-N 3.39Å; E288-R290 VanDerWaalsContact C-N 3.28Å; E288-R290 PolarHBondContact O-N 3.49Å; E288-N291 PolarHBondContact O-N 3.27Å; E288-N291 VanDerWaalsContact O-N 3.1Å
289E57.9Low62.3Low149 Ų14998.1 Ų98.170%0.69649%0.488SS*.G310 helixtrans-60.9-32.4177.7-67.4177.7173.800113.5A285 E292A285-E289 PolarHBondContact O-N 3.29Å; E289-E292 PolarHBondContact O-N 2.91Å
290R54.4Low59.2Low134 Ų134107.6 Ų107.651%0.50653%0.529SS..G310 helixtrans-75.7-21177.7-79.5-170.6-68.9-114.1-8.7114.2S286 E288 E292S286-R290 PolarHBondContact O-NE 3.48Å; S286-R290 PolarHBondContact O-NH2 3.44Å; S286-R290 PolarHBondContact OG-NH2 3.07Å; E288-R290 VanDerWaalsContact C-N 3.28Å; E288-R290 PolarHBondContact O-N 3.49Å; R290-E292 VanDerWaalsContact C-N 3.31Å
291N50.4Low56.1Low143 Ų143114.9 Ų114.977%0.76557%0.568SS**G310 helixtrans-84.7-9.6177.1-70.9-29.3000112.2F287 E288F287-N291 PolarHBondContact O-ND2 3.47Å; E288-N291 PolarHBondContact O-N 3.27Å; E288-N291 VanDerWaalsContact O-N 3.1Å
292E40.9Very low53.3Low167 Ų167118.2 Ų118.278%0.7859%0.588SS**G310 helixtrans-110.635178.8-65.2-166.1161.700113.2E289 R290E289-E292 PolarHBondContact O-N 2.91Å; R290-E292 VanDerWaalsContact C-N 3.31Å
293E30.6Very low50.5Low172 Ų172125.7 Ų125.780%0.80462%0.619SS**  trans-62.9133.6172.9-111.4-176.2-178.800110.9L295E293-L295 PolarHBondContact O-N 3.09Å
294P37.1Very low47.6Very low111 Ų111132 Ų13272%0.72166%0.658SS**  trans-71134.6-166.827-31.3000110.5A296P294-A296 PolarHBondContact O-N 3.05Å
295L35.8Very low45Very low175 Ų175139.9 Ų139.992%0.91669%0.692SS**  trans-40.799.3170.2-82.4156.8000110.2E293 K297E293-L295 PolarHBondContact O-N 3.09Å; L295-K297 PolarHBondContact O-N 2.98Å; L295-K297 VanDerWaalsContact O-N 3.09Å
296A34.9Very low42.5Very low94 Ų94147.5 Ų147.578%0.77772%0.721SS**  trans-55.9121.3176.700000107.8P294 R298P294-A296 PolarHBondContact O-N 3.05Å; A296-R298 PolarHBondContact O-N 2.82Å
297K35.9Very low40Very low201 Ų201155.4 Ų155.487%0.87476%0.756SS**  trans-50.9107.6176-75.6176.6177.4174.60108.7L295 I299L295-K297 PolarHBondContact O-N 2.98Å; L295-K297 VanDerWaalsContact O-N 3.09Å; K297-I299 PolarHBondContact O-N 3.18Å
298R32.7Very low37.7Very low240 Ų240161.6 Ų161.691%0.90679%0.788SS**  trans-58.1106.6170.8-143.2174.7-170.7168.61107.2A296 K300A296-R298 PolarHBondContact O-N 2.82Å; R298-K300 PolarHBondContact O-N 3.12Å; R298-K300 VanDerWaalsContact O-N 3.13Å
299I33.8Very low35.9Very low155 Ų155166.2 Ų166.280%0.79580%0.801SS**  trans-61.8114.5163.2-66.4175.1000105.5K297 N301K297-I299 PolarHBondContact O-N 3.18Å; I299-N301 PolarHBondContact O-N 3.3Å; I299-N301 VanDerWaalsContact O-N 3.13Å
300K33.3Very low34.7Very low199 Ų199164.6 Ų164.687%0.86580%0.802SS**  trans-59.4111.6168.2-89.1179.5170.4-179.90107.5R298R298-K300 PolarHBondContact O-N 3.12Å; R298-K300 VanDerWaalsContact O-N 3.13Å
301N28.3Very low33.6Very low162 Ų162166.5 Ų166.587%0.86682%0.821SS**  trans-123.3120.3143-100.8-6.3000107.7I299I299-N301 PolarHBondContact O-N 3.3Å; I299-N301 VanDerWaalsContact O-N 3.13Å
302D33.4Very low32.5Very low142 Ų142164.4 Ų164.476%0.75982%0.824SS**  trans-79.4153.5-177.2-164.67.8000109.8
303K31.6Very low32.2Very low178 Ų178166.4 Ų166.477%0.77483%0.83SS**  trans77.2108.7178.7-48.5172.4-177.1-179.50113.4
304T28.1Very low32.4Very low134 Ų134167.4 Ų167.482%0.82283%0.834SS**  -163.6115.460.3-50.20000107.3
305E34Very low32.2Very low176 Ų176165.9 Ų165.982%0.82284%0.839SS**  trans-79.6146.9165.1-73.2-176.6156.700109.7
306K31Very low31.9Very low186 Ų186164.7 Ų164.781%0.80983%0.833SS**  trans103.6137.4163.9-61.1173.8-179.7176.30114.4
307E28.8Very low31.9Very low186 Ų186168.3 Ų168.387%0.86984%0.835SS**  trans82.3102.4-170.6-52.3177.9-177.300110.3
308I30.1Very low31.9Very low150 Ų150168.1 Ų168.177%0.76983%0.833SS**  -152.8108.350-72.5153.2000108.2T310I308-T310 WeakPolarHBondContact CG2-O 3.36Å
309Y31.8Very low32Very low237 Ų237163.5 Ų163.593%0.92983%0.827SS**  trans-101.268.5164.4-108.5-80.9000108.2
310T31.9Very low32Very low115 Ų115161.8 Ų161.871%0.70682%0.823SS**  trans-171.8139.2154-5.20000109.7I308I308-T310 WeakPolarHBondContact CG2-O 3.36Å
311L32Very low32.3Very low173 Ų173158 Ų15891%0.90682%0.819SS**SBendtrans95.272.3173.6-53.1164000116
312A27.5Very low33.2Very low100 Ų100159 Ų15983%0.82682%0.819SS**  178.185.7119.900000109.1E314A312-E314 PolarHBondContact O-N 3.28Å
313K34.3Very low34.5Very low208 Ų208159.6 Ų159.690%0.90481%0.814SS**  trans-71.3109.9147.6-86.3-177.1174.6179.80105.3
314E33.4Very low36.4Very low193 Ų193155.4 Ų155.490%0.90279%0.794SS**  trans-169118.2146.2-106163.2-151.700109.2A312A312-E314 PolarHBondContact O-N 3.28Å
315G32.8Very low39Very low80 Ų80151.2 Ų151.283%0.82577%0.766SS**  trans69.580.1164.200000117.2
316N30.2Very low41.8Very low149 Ų149143.6 Ų143.680%0.79773%0.732SS**  trans-13178.7154.8-147.72.5000108.6K318N316-K318 PolarHBondContact O-N 3.1Å
317E35.3Very low44.9Very low171 Ų171134.9 Ų134.980%0.79969%0.694SS**  trans-52.7120.5155.2-78.2-176.7157.100106.6N319E317-N319 VanDerWaalsContact C-N 3.29Å; E317-N319 PolarHBondContact O-N 2.95Å
318K36.1Very low48.1Very low196 Ų196126.6 Ų126.685%0.85266%0.658SS**  trans-59.495.1175.8-67174.6178.1177.30107.6N316 V320N316-K318 PolarHBondContact O-N 3.1Å; K318-V320 PolarHBondContact O-N 3.16Å
319N35.3Very low51.3Low143 Ų143119.4 Ų119.477%0.76562%0.621SS**  trans-66.384.8164.6-80.9-42000107.3E317 P321E317-N319 VanDerWaalsContact C-N 3.29Å; E317-N319 PolarHBondContact O-N 2.95Å; N319-P321 WeakPolarHBondContact O-CD 3.2Å
320V33.1Very low54.5Low119 Ų119108.1 Ų108.172%0.72158%0.577SS**  trans-53.7120.5152.5-179.60000104.6K318 E322K318-V320 PolarHBondContact O-N 3.16Å; V320-E322 PolarHBondContact O-N 2.91Å
321P40.3Very low57.6Low119 Ų119102.7 Ų102.777%0.77354%0.543SS*.  trans-61.7105.2178.4-16.628.8000107.1N319 K323N319-P321 WeakPolarHBondContact O-CD 3.2Å; P321-K323 PolarHBondContact O-N 3.39Å; P321-K323 VanDerWaalsContact O-N 3.08Å
322E45.9Very low60.8Low185 Ų18594.4 Ų94.486%0.86450%0.5SS*.  trans-54.3121.7168-83-171.8154.300106.6V320 W324V320-E322 PolarHBondContact O-N 2.91Å; E322-W324 VanDerWaalsContact C-N 3.32Å; E322-W324 PolarHBondContact O-N 3.42Å
323K60.4Low64.1Low153 Ų15389.7 Ų89.767%0.66546%0.461SS*.  trans-62.494.7-179-170.2176.1-179179.90108.5P321 N325P321-K323 PolarHBondContact O-N 3.39Å; P321-K323 VanDerWaalsContact O-N 3.08Å; K323-N325 PolarHBondContact O-N 2.92Å
324W71.8Confident67Low90 Ų9079.8 Ų79.834%0.34142%0.418SS..  trans-77.5113-179.9174.173.2000109.4K257 F287 E322 P326K257-W324 VanDerWaalsContact C-CZ2 3.41Å; K257-W324 HydrophobicContact CB-CH2 4.02Å; K257-W324 HydrophobicContact CB-CZ2 3.77Å; K257-W324 HydrophobicContact CG-CH2 4.37Å; K257-W324 VanDerWaalsContact O-CE2 3.26Å; K257-W324 WeakPolarHBondContact O-CZ2 3.24Å; K257-W324 PolarHBondContact O-NE1 3.08Å; K257-W324 VanDerWaalsContact O-NE1 3.09Å; F287-W324 HydrophobicContact CB-CZ3 4.36Å; F287-W324 AromaticContact CD1-CH2 3.84Å; F287-W324 HydrophobicContact CD1-CH2 3.84Å; F287-W324 AromaticContact CD1-CZ3 3.37Å; F287-W324 HydrophobicContact CD1-CZ3 3.37Å; F287-W324 HydrophobicContact CD2-CH2 4.41Å; F287-W324 HydrophobicContact CD2-CZ3 4.32Å; F287-W324 AromaticContact CE1-CH2 3.52Å; F287-W324 HydrophobicContact CE1-CH2 3.52Å; F287-W324 AromaticContact CE1-CZ3 3.55Å; F287-W324 HydrophobicContact CE1-CZ3 3.55Å; F287-W324 HydrophobicContact CE2-CH2 4.17Å; F287-W324 HydrophobicContact CE2-CZ3 4.5Å; F287-W324 HydrophobicContact CG-CH2 4.25Å; F287-W324 AromaticContact CG-CZ3 3.77Å; F287-W324 HydrophobicContact CG-CZ3 3.77Å; F287-W324 AromaticContact CZ-CH2 3.72Å; F287-W324 HydrophobicContact CZ-CH2 3.72Å; F287-W324 HydrophobicContact CZ-CZ3 4.14Å; E322-W324 VanDerWaalsContact C-N 3.32Å; E322-W324 PolarHBondContact O-N 3.42Å; W324-P326 HydrophobicContact CH2-CB 3.93Å; W324-P326 HydrophobicContact CZ2-CB 4.37Å; W324-P326 HydrophobicContact CZ3-CB 4.14Å
325N84.4Confident69.8Low47 Ų4770.7 Ų70.725%0.25138%0.376SS..  trans-85.9119.6174.1-68.9-43000109.5K323 V327 P471K323-N325 PolarHBondContact O-N 2.92Å; N325-V327 PolarHBondContact O-N 3.15Å; N325-P471 HydrophobicContact CB-CB 4.42Å; N325-P471 HydrophobicContact CB-CG 4.11Å
326P91.9Very high72.6Confident16 Ų1668.1 Ų68.110%0.10434%0.344CS..SBendtrans-65.1-30-178.525.3-34000112P259 V260 Y283 A284 F287 W324P259-P326 CarbonylContact C-O 3.59Å; P259-P326 WeakPolarHBondContact CA-O 3.23Å; V260-P326 PolarHBondContact N-O 3.4Å; Y283-P326 HydrophobicContact CD1-CB 4.41Å; Y283-P326 HydrophobicContact CE1-CB 3.96Å; Y283-P326 WeakPolarHBondContact CE1-O 3.39Å; A284-P326 HydrophobicContact CB-CG 3.7Å; F287-P326 HydrophobicContact CB-CG 4.48Å; F287-P326 HydrophobicContact CD2-CB 3.64Å; F287-P326 HydrophobicContact CD2-CG 4.06Å; F287-P326 HydrophobicContact CE2-CB 3.96Å; F287-P326 HydrophobicContact CG-CB 4.28Å; W324-P326 HydrophobicContact CH2-CB 3.93Å; W324-P326 HydrophobicContact CZ2-CB 4.37Å; W324-P326 HydrophobicContact CZ3-CB 4.14Å
327V95.6Very high75.7Confident2 Ų261.1 Ų61.11%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-109.8114.6172.7-179.30000108.4V260 L279 Y283 A284 N325 I330 F448 P471V260-V327 CarbonylContact O-C 3.59Å; V260-V327 WeakPolarHBondContact O-CA 3.44Å; L279-V327 HydrophobicContact CB-CG2 4.33Å; L279-V327 WeakPolarHBondContact O-CG2 3.1Å; Y283-V327 HydrophobicContact CD1-CG2 3.91Å; Y283-V327 HydrophobicContact CE1-CG2 4.4Å; A284-V327 HydrophobicContact CB-CG2 4.18Å; N325-V327 PolarHBondContact O-N 3.15Å; V327-I330 HydrophobicContact CG1-CG1 4.17Å; V327-F448 HydrophobicContact CB-CE1 4.39Å; V327-F448 HydrophobicContact CB-CZ 4.13Å; V327-F448 HydrophobicContact CG1-CE1 4.09Å; V327-F448 HydrophobicContact CG1-CZ 4.21Å; V327-P471 WeakPolarHBondContact O-CG 3.35Å
328A95.8Very high78.3Confident12 Ų1256.7 Ų56.710%0.09929%0.286CS..EExtended strand (participates in β ladder)trans-79-30.2178.200000112.7L179 P259 V260 V261 P471L179-A328 HydrophobicContact CD2-CB 4.22Å; L179-A328 WeakPolarHBondContact CD2-O 3.27Å; P259-A328 HydrophobicContact CB-CB 3.79Å; V260-A328 PolarHBondContact O-N 3.12Å; V261-A328 HydrophobicContact CG2-CB 4.09Å; A328-P471 VanDerWaalsContact O-CD 3.25Å; A328-P471 WeakPolarHBondContact O-CD 3.38Å
329G97.6Very high81Confident0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans179.2166.717700000114.2V261 G262 A469V261-G329 WeakPolarHBondContact CA-O 3.32Å; G262-G329 PolarHBondContact N-O 3.27Å; G329-A469 CarbonylContact C-O 3.27Å; G329-A469 VanDerWaalsContact CA-O 3.24Å; G329-A469 WeakPolarHBondContact CA-O 3.42Å
330I98.6Very high83.7Confident0 Ų046.5 Ų46.50%023%0.232CC..EExtended strand (participates in β ladder)trans-129.2131.8-179.7-52.2-178.5000108.1G262 L276 L279 I280 V327 I332 L443 T468 A469G262-I330 CarbonylContact O-C 3.41Å; G262-I330 WeakPolarHBondContact O-CA 3.34Å; L276-I330 HydrophobicContact CD2-CD1 4.03Å; L276-I330 HydrophobicContact CD2-CG2 4.15Å; L279-I330 HydrophobicContact CD1-CD1 3.97Å; L279-I330 HydrophobicContact CD1-CG1 3.99Å; L279-I330 HydrophobicContact CD1-CG2 4.39Å; I280-I330 HydrophobicContact CD1-CD1 4.12Å; I280-I330 HydrophobicContact CG1-CD1 4.44Å; V327-I330 HydrophobicContact CG1-CG1 4.17Å; I330-I332 HydrophobicContact CG2-CD1 3.67Å; I330-I332 HydrophobicContact CG2-CG1 3.88Å; I330-L443 HydrophobicContact CD1-CD2 3.88Å; I330-T468 CarbonylContact O-C 3.51Å; I330-T468 WeakPolarHBondContact O-CA 3.13Å; I330-A469 HydrophobicContact CB-CB 4.15Å; I330-A469 HydrophobicContact CD1-CB 4.49Å; I330-A469 HydrophobicContact CG1-CB 4.47Å; I330-A469 PolarHBondContact N-O 3Å; I330-A469 PolarHBondContact O-N 3.41Å
331V98.5Very high86.5Confident0 Ų043.1 Ų43.10%021%0.21CC..EExtended strand (participates in β ladder)trans-141.393.1177.4-174.70000109.6I170 I174 L177 L179 G262 I263 G264 L466 L467 T468I170-V331 HydrophobicContact CG2-CG1 4.04Å; I174-V331 HydrophobicContact CG1-CB 4.07Å; I174-V331 HydrophobicContact CG1-CG1 3.98Å; I174-V331 HydrophobicContact CG1-CG2 3.96Å; L177-V331 HydrophobicContact CD1-CG2 3.77Å; L179-V331 HydrophobicContact CD1-CG2 3.75Å; G262-V331 PolarHBondContact O-N 3.01Å; I263-V331 CarbonylContact C-O 3.31Å; I263-V331 VanDerWaalsContact CA-O 3.26Å; I263-V331 WeakPolarHBondContact CA-O 3.39Å; I263-V331 HydrophobicContact CG2-CB 4.46Å; G264-V331 PolarHBondContact N-O 2.77Å; V331-L466 HydrophobicContact CG1-CD1 3.9Å; V331-L466 HydrophobicContact CG1-CD2 3.99Å; V331-L466 HydrophobicContact CG1-CG 4.21Å; V331-L467 WeakPolarHBondContact CA-O 3.49Å; V331-T468 HydrophobicContact CG1-CG2 4.35Å; V331-T468 HydrophobicContact CG2-CG2 4.49Å
332I98.3Very high89.1Confident0 Ų037.9 Ų37.90%018%0.175CC..EExtended strand (participates in β ladder)trans-125.5121.9-173.5-61.5172.9000109.7G264 L267 L276 I330 L334 L467G264-I332 WeakPolarHBondContact O-CA 3.46Å; L267-I332 HydrophobicContact CB-CG2 3.78Å; L267-I332 HydrophobicContact CD2-CD1 4.13Å; L267-I332 HydrophobicContact CD2-CG2 4.1Å; L276-I332 HydrophobicContact CD2-CD1 4.47Å; I330-I332 HydrophobicContact CG2-CD1 3.67Å; I330-I332 HydrophobicContact CG2-CG1 3.88Å; I332-L334 HydrophobicContact CG2-CD2 4.33Å; I332-L467 PolarHBondContact N-O 2.91Å; I332-L467 PolarHBondContact O-N 3.36Å
333A97.2Very high91.3Very high0 Ų032.6 Ų32.60%015%0.147CC..EExtended strand (participates in β ladder)trans-78.5121.9170.300000109.8I170 G264 K265 Y455 L466I170-A333 HydrophobicContact CD1-CB 4Å; G264-A333 PolarHBondContact O-N 2.88Å; K265-A333 WeakPolarHBondContact O-CB 3.24Å; A333-Y455 HydrophobicContact CB-CD1 4.41Å; A333-Y455 HydrophobicContact CB-CE1 3.65Å; A333-Y455 HydrophobicContact CB-CE2 4.46Å; A333-L466 HydrophobicContact CB-CD1 3.91Å
334L95.4Very high92.9Very high0 Ų025.9 Ų25.90%012%0.118CC..EExtended strand (participates in β ladder)trans-85.8134-170.9-58-179.8000110.2T272 I332 D436 L452 V465 L467T272-L334 HydrophobicContact CG2-CD2 3.75Å; I332-L334 HydrophobicContact CG2-CD2 4.33Å; L334-D436 HydrophobicContact CD1-CB 4.13Å; L334-D436 VanDerWaalsContact CD1-CG 3.41Å; L334-D436 WeakPolarHBondContact CD1-OD1 3.42Å; L334-L452 HydrophobicContact CD1-CD2 3.79Å; L334-V465 HydrophobicContact CD1-CG1 4.1Å; L334-V465 PolarHBondContact N-O 3.3Å; L334-L467 HydrophobicContact CD1-CB 3.95Å; L334-L467 HydrophobicContact CD2-CB 3.92Å; L334-L467 HydrophobicContact CD2-CD2 4.21Å; L334-L467 HydrophobicContact CG-CB 3.95Å
335C91.9Very high94.1Very high3 Ų321.6 Ų21.62%0.0210%0.102CC..EExtended strand (participates in β ladder)trans-155.5165.8177.563.90000112.5H266 C268 G269 H337 E463H266-C335 VanDerWaalsContact CA-SG 3.51Å; C268-C335 PolarHBondContact SG-SG 2.93Å; G269-C335 PolarHBondContact N-O 3.44Å; G269-C335 VanDerWaalsContact N-O 3.14Å; C335-H337 PolarHBondContact O-N 3.39Å; C335-E463 HydrophobicContact CB-CB 3.7Å; C335-E463 HydrophobicContact CB-CG 3.76Å
336C91.4Very high94.6Very high25 Ų2519.6 Ų19.617%0.1699%0.091CC..  trans56.345.7172.2-55.10000113.9C268 G269 H338 R339C268-C336 HydrophobicContact CB-CB 3.89Å; C268-C336 VanDerWaalsContact SG-SG 3.62Å; G269-C336 WeakPolarHBondContact CA-O 3.33Å; C336-H338 PolarHBondContact O-N 3.08Å; C336-R339 HydrophobicContact CB-CG 4.31Å; C336-R339 PolarHBondContact O-N 3.18Å
337H94.7Very high94.8Very high3 Ų318.9 Ų18.91%0.0149%0.086CC..G310 helixtrans-52.3-30.4176.6-6272.8000113.3C335 R339 C340 S368 K432 I435 D436C335-H337 PolarHBondContact O-N 3.39Å; H337-R339 PolarHBondContact O-N 3.32Å; H337-R339 VanDerWaalsContact O-N 3.11Å; H337-C340 VanDerWaalsContact O-CB 3.24Å; H337-C340 WeakPolarHBondContact O-CB 3.48Å; H337-C340 PolarHBondContact O-N 3.09Å; H337-C340 PolarHBondContact O-SG 3.37Å; H337-S368 WeakPolarHBondContact CB-OG 3.24Å; H337-K432 HydrophobicContact CB-CG 4.31Å; H337-I435 HydrophobicContact CB-CD1 4.22Å; H337-D436 IonicContact CD2-OD1 3.66Å; H337-D436 PolarHBondContact CD2-OD1 3.49Å; H337-D436 IonicContact CE1-OD1 2.78Å; H337-D436 IonicContact CE1-OD2 3.33Å; H337-D436 IonicContact NE2-OD1 3.01Å; H337-D436 PolarHBondContact NE2-OD1 3Å; H337-D436 IonicContact NE2-OD2 2.95Å; H337-D436 PolarHBondContact NE2-OD2 2.99Å
338H91Very high94.8Very high77 Ų7719.2 Ų19.236%0.3569%0.088SC..G310 helixtrans-64.3-6.1172.873.2-88.2000116C336 Q365 S368C336-H338 PolarHBondContact O-N 3.08Å; H338-Q365 WeakPolarHBondContact CA-O 3.24Å; H338-Q365 WeakPolarHBondContact CB-O 3.46Å; H338-Q365 PolarHBondContact O-OE1 2.85Å; H338-S368 PolarHBondContact N-OG 3.14Å
339R91.9Very high94.7Very high122 Ų12223 Ų2346%0.4610%0.104SC..G310 helixtrans-109.810.9171.7-57.1-168.7180178.80.8111.9M270 C336 H337M270-R339 PolarHBondContact N-O 2.93Å; M270-R339 VanDerWaalsContact N-O 3.15Å; C336-R339 HydrophobicContact CB-CG 4.31Å; C336-R339 PolarHBondContact O-N 3.18Å; H337-R339 PolarHBondContact O-N 3.32Å; H337-R339 VanDerWaalsContact O-N 3.11Å
340C93.1Very high94.7Very high3 Ų324.2 Ų24.22%0.0211%0.108CC..  trans-70.8158.4170.5-61.90000109.3H337 F361 Q365 R439H337-C340 VanDerWaalsContact O-CB 3.24Å; H337-C340 WeakPolarHBondContact O-CB 3.48Å; H337-C340 PolarHBondContact O-N 3.09Å; H337-C340 PolarHBondContact O-SG 3.37Å; C340-F361 HydrophobicContact CB-CE1 4.12Å; C340-F361 HydrophobicContact CB-CZ 3.77Å; C340-Q365 PolarHBondContact O-NE2 3.44Å; C340-Q365 PolarHBondContact O-OE1 3.48Å; C340-R439 PolarHBondContact SG-NH2 3.2Å; C340-R439 VanDerWaalsContact SG-NH2 3.37Å
341D91.9Very high94.6Very high48 Ų4824.2 Ų24.226%0.25711%0.108SC..  trans-138.8139.3-179.3174.7-98.8000109M270 R343 H344 Y345M270-D341 HydrophobicContact CE-CB 3.57Å; D341-R343 VanDerWaalsContact C-N 3.32Å; D341-R343 PolarHBondContact O-N 3.32Å; D341-R343 WeakPolarHBondContact OD1-CB 3.37Å; D341-R343 PolarHBondContact OD1-N 2.94Å; D341-R343 VanDerWaalsContact OD1-N 3.08Å; D341-H344 PolarHBondContact O-N 3.16Å; D341-H344 VanDerWaalsContact O-N 3.13Å; D341-H344 IonicContact OD1-CE1 3.64Å; D341-H344 IonicContact OD1-CG 3.47Å; D341-H344 IonicContact OD1-ND1 2.78Å; D341-H344 PolarHBondContact OD1-ND1 3.27Å; D341-Y345 WeakPolarHBondContact O-CB 3.28Å; D341-Y345 PolarHBondContact O-N 3.4Å
342W93.6Very high94.4Very high10 Ų1029 Ų294%0.03813%0.127CC..THydrogen-bonded Turntrans-60.8-42.2-172.8-179.4-109.3000111.6I104 H344 Y345 K348 F351 A358 F361I104-W342 HydrophobicContact CD1-CB 4.4Å; W342-H344 PolarHBondContact O-N 3.19Å; W342-Y345 HydrophobicContact CE3-CD1 4.16Å; W342-Y345 AromaticContact CZ3-CD1 3.95Å; W342-Y345 HydrophobicContact CZ3-CD1 3.95Å; W342-Y345 HydrophobicContact CZ3-CE1 4.47Å; W342-Y345 PolarHBondContact O-N 3.18Å; W342-K348 HydrophobicContact CD2-CG 4.36Å; W342-K348 HydrophobicContact CE3-CG 4.42Å; W342-K348 HydrophobicContact CH2-CB 4Å; W342-K348 HydrophobicContact CH2-CG 3.94Å; W342-K348 HydrophobicContact CZ2-CB 3.99Å; W342-K348 HydrophobicContact CZ2-CD 4.36Å; W342-K348 HydrophobicContact CZ2-CG 3.8Å; W342-K348 HydrophobicContact CZ3-CG 4.24Å; W342-K348 WeakPolarHBondContact O-CE 3.27Å; W342-F351 HydrophobicContact CH2-CB 3.76Å; W342-F351 HydrophobicContact CH2-CG 4.35Å; W342-F351 HydrophobicContact CZ3-CB 4Å; W342-F351 HydrophobicContact CZ3-CD1 4.13Å; W342-F351 HydrophobicContact CZ3-CG 4.08Å; W342-A358 HydrophobicContact CB-CB 4.31Å; W342-A358 VanDerWaalsContact CD1-CB 3.47Å; W342-A358 HydrophobicContact CD2-CB 3.96Å; W342-A358 HydrophobicContact CG-CB 3.65Å; W342-F361 HydrophobicContact CB-CD1 4.18Å; W342-F361 HydrophobicContact CD2-CB 4.44Å; W342-F361 HydrophobicContact CD2-CG 4.49Å; W342-F361 HydrophobicContact CE3-CB 3.5Å; W342-F361 VanDerWaalsContact CE3-CB 3.5Å; W342-F361 AromaticContact CE3-CD1 3.84Å; W342-F361 HydrophobicContact CE3-CD1 3.84Å; W342-F361 AromaticContact CE3-CD2 3.71Å; W342-F361 HydrophobicContact CE3-CD2 3.71Å; W342-F361 HydrophobicContact CE3-CE2 4.39Å; W342-F361 AromaticContact CE3-CG 3.4Å; W342-F361 HydrophobicContact CE3-CG 3.4Å; W342-F361 VanDerWaalsContact CE3-CG 3.4Å; W342-F361 HydrophobicContact CZ3-CB 3.74Å; W342-F361 AromaticContact CZ3-CD2 3.8Å; W342-F361 HydrophobicContact CZ3-CD2 3.8Å; W342-F361 AromaticContact CZ3-CG 3.85Å; W342-F361 HydrophobicContact CZ3-CG 3.85Å
343R92.2Very high94.3Very high73 Ų7332.9 Ų32.928%0.27516%0.158SC..THydrogen-bonded Turntrans-54.4-44.8178.3179.8-175.6169.8-175.9-5.1110.5D93 R277 D341 K348D93-R343 IonicContact OD2-CZ 3.45Å; D93-R343 IonicContact OD2-NH2 3.72Å; D93-R343 PolarHBondContact OD2-NH2 3.3Å; R277-R343 PolarHBondContact NH2-O 2.65Å; D341-R343 VanDerWaalsContact C-N 3.32Å; D341-R343 PolarHBondContact O-N 3.32Å; D341-R343 WeakPolarHBondContact OD1-CB 3.37Å; D341-R343 PolarHBondContact OD1-N 2.94Å; D341-R343 VanDerWaalsContact OD1-N 3.08Å; R343-K348 WeakPolarHBondContact O-CE 3.11Å; R343-K348 PolarHBondContact O-NZ 2.85Å
344H94.1Very high94.3Very high13 Ų1336.1 Ų36.16%0.0618%0.175CC..THydrogen-bonded Turntrans-85.5-16.2-173.4-56.498.6000114.3A96 M270 D273 L274 R277 D341 W342A96-H344 PolarHBondContact O-CD2 3.12Å; M270-H344 HydrophobicContact CB-CB 3.88Å; D273-H344 WeakPolarHBondContact CB-O 3.4Å; L274-H344 HydrophobicContact CD2-CB 4.49Å; R277-H344 PolarHBondContact NH1-O 3.16Å; R277-H344 PolarHBondContact NH2-O 3.2Å; D341-H344 PolarHBondContact O-N 3.16Å; D341-H344 VanDerWaalsContact O-N 3.13Å; D341-H344 IonicContact OD1-CE1 3.64Å; D341-H344 IonicContact OD1-CG 3.47Å; D341-H344 IonicContact OD1-ND1 2.78Å; D341-H344 PolarHBondContact OD1-ND1 3.27Å; W342-H344 PolarHBondContact O-N 3.19Å
345Y96.3Very high94.3Very high0 Ų039 Ų390%021%0.205CC..  trans-66.8135.5-176.8-175.5-124.9000112.1D273 R277 D341 W342 G347 K348 F351 F361 I435 G438 R439D273-Y345 WeakPolarHBondContact OD1-CD2 3.47Å; R277-Y345 PolarHBondContact NH2-O 3.28Å; D341-Y345 WeakPolarHBondContact O-CB 3.28Å; D341-Y345 PolarHBondContact O-N 3.4Å; W342-Y345 HydrophobicContact CE3-CD1 4.16Å; W342-Y345 AromaticContact CZ3-CD1 3.95Å; W342-Y345 HydrophobicContact CZ3-CD1 3.95Å; W342-Y345 HydrophobicContact CZ3-CE1 4.47Å; W342-Y345 PolarHBondContact O-N 3.18Å; Y345-G347 VanDerWaalsContact CE1-O 3.27Å; Y345-G347 WeakPolarHBondContact CE1-O 3.35Å; Y345-K348 HydrophobicContact CD1-CG 4.41Å; Y345-K348 WeakPolarHBondContact O-CG 3.41Å; Y345-F351 AromaticContact CE1-CD2 3.61Å; Y345-F351 HydrophobicContact CE1-CD2 3.61Å; Y345-F351 AromaticContact CE1-CE2 3.67Å; Y345-F351 HydrophobicContact CE1-CE2 3.67Å; Y345-F351 HydrophobicContact CE1-CG 4.36Å; Y345-F351 HydrophobicContact CE1-CZ 4.46Å; Y345-F351 AromaticContact CZ-CE2 3.86Å; Y345-F351 VanDerWaalsContact OH-CE2 3.32Å; Y345-F351 WeakPolarHBondContact OH-CE2 3.46Å; Y345-F361 AromaticContact CD1-CD2 3.94Å; Y345-F361 HydrophobicContact CD1-CD2 3.94Å; Y345-F361 AromaticContact CD1-CE2 3.44Å; Y345-F361 HydrophobicContact CD1-CE2 3.44Å; Y345-F361 VanDerWaalsContact CD1-CE2 3.44Å; Y345-F361 HydrophobicContact CD1-CZ 4.09Å; Y345-F361 AromaticContact CD2-CE2 3.84Å; Y345-F361 HydrophobicContact CD2-CE2 3.84Å; Y345-F361 AromaticContact CD2-CZ 3.99Å; Y345-F361 HydrophobicContact CD2-CZ 3.99Å; Y345-F361 HydrophobicContact CE1-CD2 4.06Å; Y345-F361 AromaticContact CE1-CE2 3.63Å; Y345-F361 HydrophobicContact CE1-CE2 3.63Å; Y345-F361 HydrophobicContact CE2-CE2 4.04Å; Y345-F361 HydrophobicContact CG-CD2 4.43Å; Y345-F361 AromaticContact CG-CE2 3.54Å; Y345-F361 HydrophobicContact CG-CE2 3.54Å; Y345-F361 AromaticContact CG-CZ 3.74Å; Y345-F361 HydrophobicContact CG-CZ 3.74Å; Y345-F361 AromaticContact CZ-CE2 3.93Å; Y345-I435 HydrophobicContact CD2-CG2 4.47Å; Y345-I435 HydrophobicContact CE2-CG2 3.72Å; Y345-I435 WeakPolarHBondContact OH-CA 3.44Å; Y345-I435 PolarHBondContact OH-O 3.33Å; Y345-G438 VanDerWaalsContact OH-CA 3.31Å; Y345-G438 WeakPolarHBondContact OH-CA 3.26Å; Y345-R439 HydrophobicContact CE2-CG 4.19Å
346V96.3Very high94.4Very high4 Ų439.3 Ų39.32%0.02421%0.207CC..SBendtrans-87.6-20.3-178.7-680000113.7D273 L276 R277 K348 R439 Y442D273-V346 HydrophobicContact CB-CG1 4.12Å; L276-V346 HydrophobicContact CB-CG1 4.48Å; L276-V346 HydrophobicContact CD1-CG2 4Å; R277-V346 HydrophobicContact CG-CG1 3.62Å; V346-K348 VanDerWaalsContact C-N 3.31Å; V346-K348 PolarHBondContact O-N 3.16Å; V346-R439 HydrophobicContact CG2-CB 4.48Å; V346-R439 HydrophobicContact CG2-CG 4Å; V346-Y442 HydrophobicContact CB-CD1 3.77Å; V346-Y442 HydrophobicContact CB-CD2 3.74Å; V346-Y442 HydrophobicContact CB-CE1 3.98Å; V346-Y442 HydrophobicContact CB-CE2 3.93Å; V346-Y442 HydrophobicContact CB-CG 3.64Å; V346-Y442 HydrophobicContact CG1-CD1 4.3Å; V346-Y442 HydrophobicContact CG1-CD2 4.48Å; V346-Y442 HydrophobicContact CG1-CE1 4Å; V346-Y442 HydrophobicContact CG1-CE2 4.19Å; V346-Y442 HydrophobicContact CG2-CD1 3.71Å; V346-Y442 HydrophobicContact CG2-CD2 4.42Å; V346-Y442 HydrophobicContact CG2-CE1 4.23Å; V346-Y442 HydrophobicContact CG2-CG 3.81Å; V346-Y442 WeakPolarHBondContact O-CD2 3.36Å
347G96Very high94.5Very high1 Ų139.2 Ų39.21%0.0121%0.21CC..  trans-90.631.8-177.400000114.1Y345 Y350 F351Y345-G347 VanDerWaalsContact CE1-O 3.27Å; Y345-G347 WeakPolarHBondContact CE1-O 3.35Å; G347-Y350 VanDerWaalsContact O-CB 3.31Å; G347-Y350 WeakPolarHBondContact O-CB 3.46Å; G347-Y350 PolarHBondContact O-N 3.44Å; G347-F351 PolarHBondContact O-N 3.07Å
348K95.1Very high94.4Very high10 Ų1039.6 Ų39.64%0.04321%0.213CC..Hα-helixtrans-65.2-42.4-175.1-69176.8174.9-173.40111.9L98 D100 W342 R343 Y345 V346 Y350 F351 R352L98-K348 PolarHBondContact O-NZ 3.22Å; D100-K348 WeakPolarHBondContact OD2-CD 3.44Å; D100-K348 WeakPolarHBondContact OD2-CE 3.17Å; D100-K348 IonicContact OD2-NZ 3.84Å; D100-K348 PolarHBondContact OD2-NZ 3.11Å; W342-K348 HydrophobicContact CD2-CG 4.36Å; W342-K348 HydrophobicContact CE3-CG 4.42Å; W342-K348 HydrophobicContact CH2-CB 4Å; W342-K348 HydrophobicContact CH2-CG 3.94Å; W342-K348 HydrophobicContact CZ2-CB 3.99Å; W342-K348 HydrophobicContact CZ2-CD 4.36Å; W342-K348 HydrophobicContact CZ2-CG 3.8Å; W342-K348 HydrophobicContact CZ3-CG 4.24Å; W342-K348 WeakPolarHBondContact O-CE 3.27Å; R343-K348 WeakPolarHBondContact O-CE 3.11Å; R343-K348 PolarHBondContact O-NZ 2.85Å; Y345-K348 HydrophobicContact CD1-CG 4.41Å; Y345-K348 WeakPolarHBondContact O-CG 3.41Å; V346-K348 VanDerWaalsContact C-N 3.31Å; V346-K348 PolarHBondContact O-N 3.16Å; K348-Y350 VanDerWaalsContact C-N 3.28Å; K348-Y350 PolarHBondContact O-N 3.27Å; K348-F351 PolarHBondContact O-N 2.88Å; K348-R352 WeakPolarHBondContact O-CG 3.34Å; K348-R352 PolarHBondContact O-N 3.4Å
349E94.6Very high94.5Very high91 Ų9138.1 Ų38.143%0.42521%0.21SC..Hα-helixtrans-61.2-39.9178.2-66.467.2-14600110.5R352 A353E349-R352 PolarHBondContact O-N 3Å; E349-R352 IonicContact OE1-NH1 3.51Å; E349-A353 WeakPolarHBondContact O-CB 3.39Å; E349-A353 PolarHBondContact O-N 2.86Å
350Y96.5Very high94.6Very high25 Ų2533.6 Ų33.610%0.09819%0.194CC..Hα-helixtrans-57.5-51.5173-174.6-116.1000111.7G347 K348 R352 A353 L354 L434 Q437 G438 Q441G347-Y350 VanDerWaalsContact O-CB 3.31Å; G347-Y350 WeakPolarHBondContact O-CB 3.46Å; G347-Y350 PolarHBondContact O-N 3.44Å; K348-Y350 VanDerWaalsContact C-N 3.28Å; K348-Y350 PolarHBondContact O-N 3.27Å; Y350-R352 PolarHBondContact O-N 2.69Å; Y350-A353 PolarHBondContact O-N 3.44Å; Y350-L354 HydrophobicContact CD1-CD1 4.08Å; Y350-L354 HydrophobicContact CE1-CD1 3.53Å; Y350-L354 HydrophobicContact CE2-CD1 4.14Å; Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.84Å; Y350-L434 HydrophobicContact CE1-CD1 3.82Å; Y350-Q437 HydrophobicContact CE1-CB 4Å; Y350-Q437 HydrophobicContact CE1-CG 3.96Å; Y350-Q437 HydrophobicContact CE2-CG 4.1Å; Y350-Q437 WeakPolarHBondContact OH-CG 3.4Å; Y350-G438 VanDerWaalsContact CD1-CA 3.44Å; Y350-Q441 HydrophobicContact CD2-CB 4.06Å; Y350-Q441 HydrophobicContact CD2-CG 4.23Å; Y350-Q441 HydrophobicContact CG-CB 4.45Å
351F95.9Very high94.8Very high0 Ų033.5 Ų33.50%019%0.193CC..Hα-helixtrans-62.1-44.6-180-91.8-117.7000111.4W342 Y345 G347 K348 A353 L354 G355 L356 F361 F364 L434 I435W342-F351 HydrophobicContact CH2-CB 3.76Å; W342-F351 HydrophobicContact CH2-CG 4.35Å; W342-F351 HydrophobicContact CZ3-CB 4Å; W342-F351 HydrophobicContact CZ3-CD1 4.13Å; W342-F351 HydrophobicContact CZ3-CG 4.08Å; Y345-F351 AromaticContact CE1-CD2 3.61Å; Y345-F351 HydrophobicContact CE1-CD2 3.61Å; Y345-F351 AromaticContact CE1-CE2 3.67Å; Y345-F351 HydrophobicContact CE1-CE2 3.67Å; Y345-F351 HydrophobicContact CE1-CG 4.36Å; Y345-F351 HydrophobicContact CE1-CZ 4.46Å; Y345-F351 AromaticContact CZ-CE2 3.86Å; Y345-F351 VanDerWaalsContact OH-CE2 3.32Å; Y345-F351 WeakPolarHBondContact OH-CE2 3.46Å; G347-F351 PolarHBondContact O-N 3.07Å; K348-F351 PolarHBondContact O-N 2.88Å; F351-A353 VanDerWaalsContact C-N 3.33Å; F351-A353 PolarHBondContact O-N 3.2Å; F351-L354 CarbonylContact O-C 3.53Å; F351-L354 PolarHBondContact O-N 3.35Å; F351-G355 PolarHBondContact O-N 3.37Å; F351-L356 CarbonylContact C-O 3.56Å; F351-L356 VanDerWaalsContact C-O 3.27Å; F351-L356 HydrophobicContact CB-CB 4.16Å; F351-L356 HydrophobicContact CD1-CB 3.78Å; F351-L356 HydrophobicContact CD1-CD1 3.85Å; F351-L356 HydrophobicContact CE1-CD1 4.07Å; F351-L356 HydrophobicContact CG-CB 4.33Å; F351-L356 HydrophobicContact CG-CD1 4.4Å; F351-L356 WeakPolarHBondContact O-CA 3.48Å; F351-L356 WeakPolarHBondContact O-CB 3.45Å; F351-L356 PolarHBondContact O-N 3.19Å; F351-F361 HydrophobicContact CD1-CB 4.2Å; F351-F361 HydrophobicContact CD1-CD2 4.07Å; F351-F361 HydrophobicContact CE1-CB 4.06Å; F351-F361 AromaticContact CE1-CD2 3.59Å; F351-F361 HydrophobicContact CE1-CD2 3.59Å; F351-F361 HydrophobicContact CE1-CG 4.31Å; F351-F361 HydrophobicContact CE2-CD2 4.35Å; F351-F361 AromaticContact CZ-CD2 3.75Å; F351-F361 HydrophobicContact CZ-CD2 3.75Å; F351-F361 HydrophobicContact CZ-CE2 4.31Å; F351-F364 HydrophobicContact CE1-CD2 4.09Å; F351-L434 HydrophobicContact CE1-CD2 4.33Å; F351-L434 HydrophobicContact CE2-CG 4.23Å; F351-L434 HydrophobicContact CZ-CD2 4.02Å; F351-L434 HydrophobicContact CZ-CG 3.97Å; F351-I435 HydrophobicContact CZ-CG1 4.18Å
352R95.5Very high94.8Very high102 Ų10233 Ų3339%0.38519%0.189SC..Hα-helixtrans-60-42176.8-72.4171.9178.6139.7-2.6112D100 K348 E349 Y350 L354 G355 L356D100-R352 IonicContact OD1-CZ 3.72Å; D100-R352 IonicContact OD1-NH2 2.83Å; D100-R352 PolarHBondContact OD1-NH2 2.95Å; D100-R352 IonicContact OD2-CZ 3.94Å; D100-R352 IonicContact OD2-NH2 3.12Å; D100-R352 PolarHBondContact OD2-NH2 3.31Å; K348-R352 WeakPolarHBondContact O-CG 3.34Å; K348-R352 PolarHBondContact O-N 3.4Å; E349-R352 PolarHBondContact O-N 3Å; E349-R352 IonicContact OE1-NH1 3.51Å; Y350-R352 PolarHBondContact O-N 2.69Å; R352-L354 PolarHBondContact O-N 3.35Å; R352-G355 PolarHBondContact O-N 3.37Å; R352-L356 WeakPolarHBondContact CA-O 3.35Å; R352-L356 PolarHBondContact N-O 3.15Å
353A96Very high94.9Very high81 Ų8133.2 Ų33.267%0.66919%0.19SC*.Hα-helixtrans-62.3-27.5176.600000112.8E349 Y350 F351 G355E349-A353 WeakPolarHBondContact O-CB 3.39Å; E349-A353 PolarHBondContact O-N 2.86Å; Y350-A353 PolarHBondContact O-N 3.44Å; F351-A353 VanDerWaalsContact C-N 3.33Å; F351-A353 PolarHBondContact O-N 3.2Å; A353-G355 VanDerWaalsContact C-N 3.3Å
354L96.3Very high95.1Very high67 Ų6729.8 Ų29.835%0.35118%0.177SC..THydrogen-bonded Turntrans-86.32.7174.1-62.7174.1000113.6A129 Y350 F351 R352 L356 L434A129-L354 HydrophobicContact CB-CB 4.45Å; A129-L354 HydrophobicContact CB-CD1 4.1Å; Y350-L354 HydrophobicContact CD1-CD1 4.08Å; Y350-L354 HydrophobicContact CE1-CD1 3.53Å; Y350-L354 HydrophobicContact CE2-CD1 4.14Å; Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.84Å; F351-L354 CarbonylContact O-C 3.53Å; F351-L354 PolarHBondContact O-N 3.35Å; R352-L354 PolarHBondContact O-N 3.35Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 HydrophobicContact CB-CD1 4.14Å; L354-L356 HydrophobicContact CB-CG 4.12Å; L354-L356 HydrophobicContact CD1-CD1 4.47Å; L354-L434 HydrophobicContact CD1-CD1 3.88Å
355G95.3Very high95.2Very high61 Ų6130 Ų3063%0.62918%0.178SC*.THydrogen-bonded Turntrans72.325.1-175.300000113.6F351 R352 A353F351-G355 PolarHBondContact O-N 3.37Å; R352-G355 PolarHBondContact O-N 3.37Å; A353-G355 VanDerWaalsContact C-N 3.3Å
356L95.3Very high95Very high10 Ų1035.1 Ų35.15%0.05220%0.197CC..  trans-106.8149176.8-53.6173.6000110.3K125 A129 F351 R352 L354 E360 F364 L434K125-L356 HydrophobicContact CB-CD2 4.27Å; A129-L356 HydrophobicContact CB-CD1 3.7Å; A129-L356 HydrophobicContact CB-CG 4.46Å; F351-L356 CarbonylContact C-O 3.56Å; F351-L356 VanDerWaalsContact C-O 3.27Å; F351-L356 HydrophobicContact CB-CB 4.16Å; F351-L356 HydrophobicContact CD1-CB 3.78Å; F351-L356 HydrophobicContact CD1-CD1 3.85Å; F351-L356 HydrophobicContact CE1-CD1 4.07Å; F351-L356 HydrophobicContact CG-CB 4.33Å; F351-L356 HydrophobicContact CG-CD1 4.4Å; F351-L356 WeakPolarHBondContact O-CA 3.48Å; F351-L356 WeakPolarHBondContact O-CB 3.45Å; F351-L356 PolarHBondContact O-N 3.19Å; R352-L356 WeakPolarHBondContact CA-O 3.35Å; R352-L356 PolarHBondContact N-O 3.15Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 HydrophobicContact CB-CD1 4.14Å; L354-L356 HydrophobicContact CB-CG 4.12Å; L354-L356 HydrophobicContact CD1-CD1 4.47Å; L356-E360 HydrophobicContact CB-CB 4.2Å; L356-E360 HydrophobicContact CD2-CB 4Å; L356-E360 HydrophobicContact CD2-CG 3.82Å; L356-F364 HydrophobicContact CD1-CE2 3.8Å; L356-F364 HydrophobicContact CD2-CE2 4.06Å; L356-F364 HydrophobicContact CD2-CZ 4.32Å; L356-L434 HydrophobicContact CD1-CD2 3.93Å
357G93.1Very high95Very high23 Ų2334.9 Ų34.924%0.23720%0.196CC..  trans-129.1-163176.200000113.5V359 E360 F361G357-V359 PolarHBondContact O-N 3Å; G357-E360 PolarHBondContact N-OE2 2.9Å; G357-E360 PolarHBondContact O-N 3.38Å; G357-F361 WeakPolarHBondContact O-CB 3.31Å; G357-F361 PolarHBondContact O-N 3.35Å
358A92.8Very high94.9Very high11 Ų1134.9 Ų34.99%0.09120%0.196CC..Hα-helixtrans-59.8-33.6-179.100000112.9I104 W342 H362I104-A358 HydrophobicContact CG1-CB 3.82Å; W342-A358 HydrophobicContact CB-CB 4.31Å; W342-A358 VanDerWaalsContact CD1-CB 3.47Å; W342-A358 HydrophobicContact CD2-CB 3.96Å; W342-A358 HydrophobicContact CG-CB 3.65Å; A358-H362 WeakPolarHBondContact O-CB 3.45Å; A358-H362 PolarHBondContact O-N 3.45Å
359V92.6Very high94.8Very high46 Ų4636.3 Ų36.328%0.27921%0.207SC..Hα-helixtrans-67.3-52.3178.61770000111.1P105 L108 G357 F361 H362 Y363P105-V359 HydrophobicContact CG-CG2 4Å; L108-V359 HydrophobicContact CD2-CG1 4.01Å; L108-V359 HydrophobicContact CD2-CG2 4.36Å; G357-V359 PolarHBondContact O-N 3Å; V359-F361 VanDerWaalsContact C-N 3.31Å; V359-F361 PolarHBondContact O-N 3.36Å; V359-H362 WeakPolarHBondContact O-CB 3.35Å; V359-H362 PolarHBondContact O-N 3.2Å; V359-Y363 HydrophobicContact CG1-CD2 4.09Å; V359-Y363 HydrophobicContact CG1-CE2 3.85Å; V359-Y363 VanDerWaalsContact O-CD2 3.24Å; V359-Y363 WeakPolarHBondContact O-CD2 3.49Å; V359-Y363 PolarHBondContact O-N 2.87Å
360E95.3Very high94.7Very high26 Ų2633.5 Ų33.512%0.12119%0.193CC..Hα-helixtrans-61.6-43176.6-70.476.7-162.800111.1K125 L356 G357 H362 Y363 F364K125-E360 HydrophobicContact CD-CG 3.95Å; K125-E360 IonicContact NZ-OE1 2.88Å; K125-E360 PolarHBondContact NZ-OE1 3.49Å; L356-E360 HydrophobicContact CB-CB 4.2Å; L356-E360 HydrophobicContact CD2-CB 4Å; L356-E360 HydrophobicContact CD2-CG 3.82Å; G357-E360 PolarHBondContact N-OE2 2.9Å; G357-E360 PolarHBondContact O-N 3.38Å; E360-H362 VanDerWaalsContact C-N 3.31Å; E360-H362 PolarHBondContact O-N 3.26Å; E360-Y363 PolarHBondContact O-N 2.91Å; E360-F364 HydrophobicContact CB-CD2 4.46Å; E360-F364 HydrophobicContact CB-CE2 4.05Å; E360-F364 HydrophobicContact CB-CZ 4.08Å; E360-F364 HydrophobicContact CG-CZ 4.46Å; E360-F364 WeakPolarHBondContact O-CB 3.45Å; E360-F364 WeakPolarHBondContact O-CD1 3.35Å; E360-F364 WeakPolarHBondContact O-CG 3.42Å; E360-F364 PolarHBondContact O-N 3.2Å
361F95.4Very high94.3Very high1 Ų132.5 Ų32.50%0.00419%0.19CC..Hα-helixtrans-56.7-45.7175.7-176.1-88.6000111.7C340 W342 Y345 F351 G357 V359 Y363 F364 Q365 I435C340-F361 HydrophobicContact CB-CE1 4.12Å; C340-F361 HydrophobicContact CB-CZ 3.77Å; W342-F361 HydrophobicContact CB-CD1 4.18Å; W342-F361 HydrophobicContact CD2-CB 4.44Å; W342-F361 HydrophobicContact CD2-CG 4.49Å; W342-F361 HydrophobicContact CE3-CB 3.5Å; W342-F361 VanDerWaalsContact CE3-CB 3.5Å; W342-F361 AromaticContact CE3-CD1 3.84Å; W342-F361 HydrophobicContact CE3-CD1 3.84Å; W342-F361 AromaticContact CE3-CD2 3.71Å; W342-F361 HydrophobicContact CE3-CD2 3.71Å; W342-F361 HydrophobicContact CE3-CE2 4.39Å; W342-F361 AromaticContact CE3-CG 3.4Å; W342-F361 HydrophobicContact CE3-CG 3.4Å; W342-F361 VanDerWaalsContact CE3-CG 3.4Å; W342-F361 HydrophobicContact CZ3-CB 3.74Å; W342-F361 AromaticContact CZ3-CD2 3.8Å; W342-F361 HydrophobicContact CZ3-CD2 3.8Å; W342-F361 AromaticContact CZ3-CG 3.85Å; W342-F361 HydrophobicContact CZ3-CG 3.85Å; Y345-F361 AromaticContact CD1-CD2 3.94Å; Y345-F361 HydrophobicContact CD1-CD2 3.94Å; Y345-F361 AromaticContact CD1-CE2 3.44Å; Y345-F361 HydrophobicContact CD1-CE2 3.44Å; Y345-F361 VanDerWaalsContact CD1-CE2 3.44Å; Y345-F361 HydrophobicContact CD1-CZ 4.09Å; Y345-F361 AromaticContact CD2-CE2 3.84Å; Y345-F361 HydrophobicContact CD2-CE2 3.84Å; Y345-F361 AromaticContact CD2-CZ 3.99Å; Y345-F361 HydrophobicContact CD2-CZ 3.99Å; Y345-F361 HydrophobicContact CE1-CD2 4.06Å; Y345-F361 AromaticContact CE1-CE2 3.63Å; Y345-F361 HydrophobicContact CE1-CE2 3.63Å; Y345-F361 HydrophobicContact CE2-CE2 4.04Å; Y345-F361 HydrophobicContact CG-CD2 4.43Å; Y345-F361 AromaticContact CG-CE2 3.54Å; Y345-F361 HydrophobicContact CG-CE2 3.54Å; Y345-F361 AromaticContact CG-CZ 3.74Å; Y345-F361 HydrophobicContact CG-CZ 3.74Å; Y345-F361 AromaticContact CZ-CE2 3.93Å; F351-F361 HydrophobicContact CD1-CB 4.2Å; F351-F361 HydrophobicContact CD1-CD2 4.07Å; F351-F361 HydrophobicContact CE1-CB 4.06Å; F351-F361 AromaticContact CE1-CD2 3.59Å; F351-F361 HydrophobicContact CE1-CD2 3.59Å; F351-F361 HydrophobicContact CE1-CG 4.31Å; F351-F361 HydrophobicContact CE2-CD2 4.35Å; F351-F361 AromaticContact CZ-CD2 3.75Å; F351-F361 HydrophobicContact CZ-CD2 3.75Å; F351-F361 HydrophobicContact CZ-CE2 4.31Å; G357-F361 WeakPolarHBondContact O-CB 3.31Å; G357-F361 PolarHBondContact O-N 3.35Å; V359-F361 VanDerWaalsContact C-N 3.31Å; V359-F361 PolarHBondContact O-N 3.36Å; F361-Y363 VanDerWaalsContact C-N 3.32Å; F361-Y363 PolarHBondContact O-N 2.88Å; F361-F364 PolarHBondContact O-N 2.56Å; F361-Q365 HydrophobicContact CD1-CG 4.45Å; F361-Q365 HydrophobicContact CE1-CB 4.33Å; F361-Q365 HydrophobicContact CE1-CG 4.39Å; F361-Q365 WeakPolarHBondContact O-CB 3.11Å; F361-Q365 VanDerWaalsContact O-CG 3.27Å; F361-Q365 WeakPolarHBondContact O-CG 3.45Å; F361-Q365 PolarHBondContact O-N 3.38Å; F361-I435 HydrophobicContact CE2-CG1 4.12Å; F361-I435 HydrophobicContact CE2-CG2 4.48Å
362H93.8Very high93.6Very high37 Ų3734.9 Ų34.917%0.17120%0.204CC..Hα-helixtrans-54.5-46.8176.7177.295.7000112L108 A358 V359 E360 Q365 R366L108-H362 HydrophobicContact CD1-CB 3.65Å; L108-H362 VanDerWaalsContact CD1-CD2 3.46Å; L108-H362 WeakPolarHBondContact CD1-CD2 3.25Å; A358-H362 WeakPolarHBondContact O-CB 3.45Å; A358-H362 PolarHBondContact O-N 3.45Å; V359-H362 WeakPolarHBondContact O-CB 3.35Å; V359-H362 PolarHBondContact O-N 3.2Å; E360-H362 VanDerWaalsContact C-N 3.31Å; E360-H362 PolarHBondContact O-N 3.26Å; H362-Q365 WeakPolarHBondContact O-CG 3.42Å; H362-R366 WeakPolarHBondContact NE2-CD 3.27Å; H362-R366 WeakPolarHBondContact O-CG 3.26Å; H362-R366 PolarHBondContact O-N 3.21Å
363Y95.6Very high92.2Very high16 Ų1633.4 Ų33.46%0.06321%0.209CC..Hα-helixtrans-71.7-41179-71.2-64.3000112.4L108 V109 I111 L114 L122 V359 E360 F361 Q365 R366 M367L108-Y363 HydrophobicContact CD2-CE2 4.11Å; V109-Y363 WeakPolarHBondContact O-CE1 3.37Å; V109-Y363 PolarHBondContact O-OH 3.09Å; V109-Y363 VanDerWaalsContact O-OH 3.14Å; I111-Y363 HydrophobicContact CG1-CD1 3.97Å; I111-Y363 HydrophobicContact CG1-CE1 4.47Å; L114-Y363 HydrophobicContact CD1-CD1 4Å; L114-Y363 HydrophobicContact CD1-CE1 3.8Å; L114-Y363 HydrophobicContact CD2-CE1 4.17Å; L114-Y363 HydrophobicContact CG-CE1 4.3Å; L122-Y363 HydrophobicContact CD1-CD1 4.25Å; L122-Y363 HydrophobicContact CD1-CD2 3.91Å; L122-Y363 HydrophobicContact CD1-CG 3.76Å; L122-Y363 HydrophobicContact CD2-CD2 4.02Å; L122-Y363 HydrophobicContact CD2-CG 4.39Å; V359-Y363 HydrophobicContact CG1-CD2 4.09Å; V359-Y363 HydrophobicContact CG1-CE2 3.85Å; V359-Y363 VanDerWaalsContact O-CD2 3.24Å; V359-Y363 WeakPolarHBondContact O-CD2 3.49Å; V359-Y363 PolarHBondContact O-N 2.87Å; E360-Y363 PolarHBondContact O-N 2.91Å; F361-Y363 VanDerWaalsContact C-N 3.32Å; F361-Y363 PolarHBondContact O-N 2.88Å; Y363-Q365 PolarHBondContact O-N 2.9Å; Y363-R366 PolarHBondContact O-N 3.21Å; Y363-M367 WeakPolarHBondContact O-CB 3.47Å; Y363-M367 WeakPolarHBondContact O-CG 3.29Å; Y363-M367 PolarHBondContact O-N 3.25Å
364F96.6Very high90.1Very high0 Ų031.4 Ų31.40%020%0.196CC..Hα-helixtrans-64.9-41.3-179.7-64.8-5.3000111.5L122 K125 L126 F351 L356 E360 F361 R366 M367 S368 C431 L434L122-F364 HydrophobicContact CD2-CE1 4.44Å; K125-F364 HydrophobicContact CB-CZ 4.27Å; L126-F364 HydrophobicContact CB-CD1 4.49Å; L126-F364 HydrophobicContact CB-CE1 3.83Å; L126-F364 HydrophobicContact CB-CE2 4.28Å; L126-F364 HydrophobicContact CB-CZ 3.71Å; L126-F364 HydrophobicContact CD1-CD2 4.1Å; L126-F364 HydrophobicContact CD1-CE2 4.1Å; L126-F364 HydrophobicContact CD1-CG 4.31Å; L126-F364 HydrophobicContact CD1-CZ 4.33Å; F351-F364 HydrophobicContact CE1-CD2 4.09Å; L356-F364 HydrophobicContact CD1-CE2 3.8Å; L356-F364 HydrophobicContact CD2-CE2 4.06Å; L356-F364 HydrophobicContact CD2-CZ 4.32Å; E360-F364 HydrophobicContact CB-CD2 4.46Å; E360-F364 HydrophobicContact CB-CE2 4.05Å; E360-F364 HydrophobicContact CB-CZ 4.08Å; E360-F364 HydrophobicContact CG-CZ 4.46Å; E360-F364 WeakPolarHBondContact O-CB 3.45Å; E360-F364 WeakPolarHBondContact O-CD1 3.35Å; E360-F364 WeakPolarHBondContact O-CG 3.42Å; E360-F364 PolarHBondContact O-N 3.2Å; F361-F364 PolarHBondContact O-N 2.56Å; F364-R366 VanDerWaalsContact C-N 3.3Å; F364-R366 PolarHBondContact O-N 2.91Å; F364-M367 HydrophobicContact CD1-CE 3.44Å; F364-M367 VanDerWaalsContact CD1-CE 3.44Å; F364-M367 HydrophobicContact CE1-CE 3.92Å; F364-M367 PolarHBondContact O-N 3.48Å; F364-S368 PolarHBondContact O-N 3.31Å; F364-C431 HydrophobicContact CB-CB 4.47Å; F364-C431 VanDerWaalsContact O-CB 3.27Å; F364-C431 WeakPolarHBondContact O-CB 3.46Å; F364-L434 HydrophobicContact CD2-CD2 3.73Å; F364-L434 HydrophobicContact CE2-CD2 3.79Å
365Q94.7Very high88Confident19 Ų1931.7 Ų31.79%0.08920%0.196CC..Hα-helixtrans-62.1-38.5175.268.4139.3-40.400111.7H338 C340 F361 H362 Y363 S368 I435H338-Q365 WeakPolarHBondContact CA-O 3.24Å; H338-Q365 WeakPolarHBondContact CB-O 3.46Å; H338-Q365 PolarHBondContact O-OE1 2.85Å; C340-Q365 PolarHBondContact O-NE2 3.44Å; C340-Q365 PolarHBondContact O-OE1 3.48Å; F361-Q365 HydrophobicContact CD1-CG 4.45Å; F361-Q365 HydrophobicContact CE1-CB 4.33Å; F361-Q365 HydrophobicContact CE1-CG 4.39Å; F361-Q365 WeakPolarHBondContact O-CB 3.11Å; F361-Q365 VanDerWaalsContact O-CG 3.27Å; F361-Q365 WeakPolarHBondContact O-CG 3.45Å; F361-Q365 PolarHBondContact O-N 3.38Å; H362-Q365 WeakPolarHBondContact O-CG 3.42Å; Y363-Q365 PolarHBondContact O-N 2.9Å; Q365-S368 VanDerWaalsContact O-CB 3.29Å; Q365-S368 WeakPolarHBondContact O-CB 3.42Å; Q365-S368 PolarHBondContact O-N 3.3Å; Q365-S368 PolarHBondContact O-OG 2.99Å; Q365-I435 HydrophobicContact CB-CD1 4.21Å
366R93.1Very high85.6Confident106 Ų10636.8 Ų36.840%0.420%0.197SC..Hα-helixtrans-70.9-44177.3-70.2-175.473.497.21.4111.7I111 H362 Y363 F364 S368 S369I111-R366 HydrophobicContact CD1-CB 3.46Å; I111-R366 VanDerWaalsContact CD1-CB 3.46Å; I111-R366 HydrophobicContact CG1-CB 4.4Å; H362-R366 WeakPolarHBondContact NE2-CD 3.27Å; H362-R366 WeakPolarHBondContact O-CG 3.26Å; H362-R366 PolarHBondContact O-N 3.21Å; Y363-R366 PolarHBondContact O-N 3.21Å; F364-R366 VanDerWaalsContact C-N 3.3Å; F364-R366 PolarHBondContact O-N 2.91Å; R366-S368 PolarHBondContact O-N 3.48Å; R366-S369 WeakPolarHBondContact O-CB 3.46Å; R366-S369 PolarHBondContact O-N 3.31Å; R366-S369 PolarHBondContact O-OG 3.3Å
367M94.8Very high83.1Confident0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-63.7-22175.5-71.3-167.8-66.900112.7I111 L119 L122 Y363 F364 S369 W370 I427 G428I111-M367 HydrophobicContact CD1-CG 3.7Å; L119-M367 HydrophobicContact CD1-SD 4.05Å; L122-M367 HydrophobicContact CB-CE 4.47Å; Y363-M367 WeakPolarHBondContact O-CB 3.47Å; Y363-M367 WeakPolarHBondContact O-CG 3.29Å; Y363-M367 PolarHBondContact O-N 3.25Å; F364-M367 HydrophobicContact CD1-CE 3.44Å; F364-M367 VanDerWaalsContact CD1-CE 3.44Å; F364-M367 HydrophobicContact CE1-CE 3.92Å; F364-M367 PolarHBondContact O-N 3.48Å; M367-S369 PolarHBondContact O-N 2.74Å; M367-S369 VanDerWaalsContact O-N 3.14Å; M367-W370 HydrophobicContact CB-CD2 4.19Å; M367-W370 HydrophobicContact CB-CE3 4.04Å; M367-W370 HydrophobicContact CB-CH2 4.48Å; M367-W370 HydrophobicContact CB-CZ3 4.19Å; M367-W370 HydrophobicContact CG-CD2 4.28Å; M367-W370 HydrophobicContact CG-CE3 4.07Å; M367-W370 HydrophobicContact CG-CH2 3.62Å; M367-W370 HydrophobicContact CG-CZ2 3.84Å; M367-W370 HydrophobicContact CG-CZ3 3.74Å; M367-W370 WeakPolarHBondContact O-CB 3.37Å; M367-W370 VanDerWaalsContact O-CG 3.3Å; M367-W370 PolarHBondContact O-N 3.14Å; M367-W370 HydrophobicContact SD-CE3 4.32Å; M367-W370 HydrophobicContact SD-CH2 3.57Å; M367-W370 VanDerWaalsContact SD-CH2 3.57Å; M367-W370 HydrophobicContact SD-CZ2 4.38Å; M367-W370 HydrophobicContact SD-CZ3 3.53Å; M367-W370 VanDerWaalsContact SD-CZ3 3.53Å; M367-I427 HydrophobicContact CB-CG2 4.49Å; M367-I427 HydrophobicContact SD-CG2 4.22Å; M367-G428 WeakPolarHBondContact O-CA 3.46Å
368S94.7Very high80.5Confident1 Ų147.1 Ų47.11%0.00724%0.241CC..G310 helixtrans-57.1-27.8173.980.80000113.5H337 H338 F364 Q365 R366 W370 A371 K432H337-S368 WeakPolarHBondContact CB-OG 3.24Å; H338-S368 PolarHBondContact N-OG 3.14Å; F364-S368 PolarHBondContact O-N 3.31Å; Q365-S368 VanDerWaalsContact O-CB 3.29Å; Q365-S368 WeakPolarHBondContact O-CB 3.42Å; Q365-S368 PolarHBondContact O-N 3.3Å; Q365-S368 PolarHBondContact O-OG 2.99Å; R366-S368 PolarHBondContact O-N 3.48Å; S368-W370 PolarHBondContact O-N 3.28Å; S368-A371 WeakPolarHBondContact O-CB 3.46Å; S368-A371 PolarHBondContact O-N 3.26Å; S368-K432 WeakPolarHBondContact O-CE 3.49Å
369S92.3Very high77.9Confident40 Ų4050.6 Ų50.628%0.2827%0.265SS..G310 helixtrans-63.8-23175.665.40000113R366 M367 A371 T372 C373R366-S369 WeakPolarHBondContact O-CB 3.46Å; R366-S369 PolarHBondContact O-N 3.31Å; R366-S369 PolarHBondContact O-OG 3.3Å; M367-S369 PolarHBondContact O-N 2.74Å; M367-S369 VanDerWaalsContact O-N 3.14Å; S369-A371 PolarHBondContact O-N 3.3Å; S369-A371 VanDerWaalsContact O-N 3.16Å; S369-T372 PolarHBondContact O-N 2.73Å; S369-T372 VanDerWaalsContact O-N 3.11Å; S369-T372 PolarHBondContact O-OG1 2.9Å; S369-C373 PolarHBondContact O-N 3.46Å; S369-C373 PolarHBondContact O-SG 2.96Å
370W92.9Very high75.2Confident31 Ų3154.7 Ų54.712%0.11729%0.285CS..G310 helixtrans-64.4-20.4178.6-61.5-10.8000113.5I111 L119 M367 S368 T372 C373 L419 K424 K425 I427I111-W370 HydrophobicContact CD1-CZ2 4.42Å; I111-W370 HydrophobicContact CG2-CH2 4.32Å; I111-W370 HydrophobicContact CG2-CZ2 3.86Å; L119-W370 HydrophobicContact CD1-CH2 4.12Å; M367-W370 HydrophobicContact CB-CD2 4.19Å; M367-W370 HydrophobicContact CB-CE3 4.04Å; M367-W370 HydrophobicContact CB-CH2 4.48Å; M367-W370 HydrophobicContact CB-CZ3 4.19Å; M367-W370 HydrophobicContact CG-CD2 4.28Å; M367-W370 HydrophobicContact CG-CE3 4.07Å; M367-W370 HydrophobicContact CG-CH2 3.62Å; M367-W370 HydrophobicContact CG-CZ2 3.84Å; M367-W370 HydrophobicContact CG-CZ3 3.74Å; M367-W370 WeakPolarHBondContact O-CB 3.37Å; M367-W370 VanDerWaalsContact O-CG 3.3Å; M367-W370 PolarHBondContact O-N 3.14Å; M367-W370 HydrophobicContact SD-CE3 4.32Å; M367-W370 HydrophobicContact SD-CH2 3.57Å; M367-W370 VanDerWaalsContact SD-CH2 3.57Å; M367-W370 HydrophobicContact SD-CZ2 4.38Å; M367-W370 HydrophobicContact SD-CZ3 3.53Å; M367-W370 VanDerWaalsContact SD-CZ3 3.53Å; S368-W370 PolarHBondContact O-N 3.28Å; W370-T372 PolarHBondContact O-N 2.97Å; W370-T372 VanDerWaalsContact O-N 3.15Å; W370-C373 PolarHBondContact O-N 3.1Å; W370-L419 HydrophobicContact CZ3-CD1 4.31Å; W370-K424 HydrophobicContact CB-CB 4.15Å; W370-K424 WeakPolarHBondContact CB-O 3.16Å; W370-K424 HydrophobicContact CD2-CB 4.38Å; W370-K424 HydrophobicContact CD2-CG 4.41Å; W370-K424 HydrophobicContact CE3-CB 4.26Å; W370-K424 HydrophobicContact CE3-CG 4.21Å; W370-K424 HydrophobicContact CG-CB 4.38Å; W370-K425 WeakPolarHBondContact O-CA 3.29Å; W370-I427 HydrophobicContact CE3-CB 4.11Å; W370-I427 HydrophobicContact CE3-CG2 3.7Å; W370-I427 HydrophobicContact CZ3-CB 4.39Å; W370-I427 HydrophobicContact CZ3-CD1 4.39Å; W370-I427 HydrophobicContact CZ3-CG2 3.76Å
371A87.9Confident72.3Confident5 Ų560.8 Ų60.84%0.04131%0.313CS..G310 helixtrans-59.1-24.7174.300000112.8S368 S369 K432S368-A371 WeakPolarHBondContact O-CB 3.46Å; S368-A371 PolarHBondContact O-N 3.26Å; S369-A371 PolarHBondContact O-N 3.3Å; S369-A371 VanDerWaalsContact O-N 3.16Å; A371-K432 HydrophobicContact CB-CD 4.07Å
372T82.1Confident69.3Low50 Ų5066.3 Ų66.331%0.30735%0.347SS..THydrogen-bonded Turntrans-117.6-4.2-175.862.60000113.8S369 W370 G374 L462S369-T372 PolarHBondContact O-N 2.73Å; S369-T372 VanDerWaalsContact O-N 3.11Å; S369-T372 PolarHBondContact O-OG1 2.9Å; W370-T372 PolarHBondContact O-N 2.97Å; W370-T372 VanDerWaalsContact O-N 3.15Å; T372-G374 VanDerWaalsContact C-N 3.35Å; T372-G374 PolarHBondContact O-N 3.07Å; T372-L462 HydrophobicContact CG2-CB 3.85Å; T372-L462 HydrophobicContact CG2-CD1 3.95Å
373C65Low66.5Low70 Ų7068.4 Ų68.447%0.47337%0.366SS..G310 helixtrans-63.7-27.5-174.4-77.70000115.5S369 W370 M375S369-C373 PolarHBondContact O-N 3.46Å; S369-C373 PolarHBondContact O-SG 2.96Å; W370-C373 PolarHBondContact O-N 3.1Å; C373-M375 PolarHBondContact O-N 3.47Å
374G52.7Low63.4Low39 Ų3974.5 Ų74.540%0.40240%0.4SS..G310 helixtrans-77.9-11.9-171.500000116.6T372T372-G374 VanDerWaalsContact C-N 3.35Å; T372-G374 PolarHBondContact O-N 3.07Å
375M51.9Low60.2Low73 Ų7379.3 Ų79.336%0.3643%0.434SS..G310 helixtrans-95-3.7-165.3-100.2123140.400116.3C373 K377 T378 L462C373-M375 PolarHBondContact O-N 3.47Å; M375-K377 VanDerWaalsContact C-N 3.25Å; M375-K377 PolarHBondContact O-N 3.18Å; M375-T378 PolarHBondContact O-OG1 3.31Å; M375-L462 HydrophobicContact CE-CD1 4.38Å; M375-L462 HydrophobicContact CE-CD2 3.4Å; M375-L462 HydrophobicContact CE-CG 4.49Å; M375-L462 HydrophobicContact SD-CD1 3.88Å; M375-L462 HydrophobicContact SD-CD2 3.87Å
376R46Very low57.1Low169 Ų16984.9 Ų84.964%0.63847%0.469SS*.G310 helixtrans-69.1-21.8175.1-85-170.4-94.2-171.1-5.3113.5
377K42.9Very low54.1Low170 Ų17086.4 Ų86.474%0.73949%0.49SS*.THydrogen-bonded Turntrans-75.7-37.2178.8-82.7-175.9173.8-178.20113.4M375 S379 L380M375-K377 VanDerWaalsContact C-N 3.25Å; M375-K377 PolarHBondContact O-N 3.18Å; K377-S379 PolarHBondContact O-N 3.03Å; K377-L380 PolarHBondContact O-N 3.49Å
378T38Very low51Low79 Ų7996.8 Ų96.849%0.48554%0.535SS..Hα-helixtrans-74.4-25.9-175.8430000114M375 L380 E381 T382M375-T378 PolarHBondContact O-OG1 3.31Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 3.07Å; T378-E381 PolarHBondContact O-N 2.83Å; T378-T382 PolarHBondContact O-N 3.41Å; T378-T382 PolarHBondContact O-OG1 2.88Å
379S37.9Very low47.9Very low85 Ų85107.2 Ų107.259%0.59458%0.575SS**Hα-helixtrans-73-21.4176.9-167.40000113.7K377 S383K377-S379 PolarHBondContact O-N 3.03Å; S379-S383 PolarHBondContact O-OG 3.16Å
380L36.6Very low44.9Very low132 Ų132114.7 Ų114.769%0.69161%0.605SS**Hα-helixtrans-83.3-29175.1-85151.6000112K377 T378 S383K377-L380 PolarHBondContact O-N 3.49Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 3.07Å; L380-S383 PolarHBondContact O-OG 3.01Å
381E33Very low41.8Very low153 Ų153120.5 Ų120.572%0.71564%0.639SS**Hα-helixtrans-81.7-28179.4-68.5-175.216900112.9T378 S383T378-E381 PolarHBondContact O-N 2.83Å; E381-S383 VanDerWaalsContact C-N 3.34Å
382T33Very low38.9Very low117 Ų117128.1 Ų128.172%0.71868%0.678SS**THydrogen-bonded Turntrans-82.4-6.2176.726.40000114.5T378 N384T378-T382 PolarHBondContact O-N 3.41Å; T378-T382 PolarHBondContact O-OG1 2.88Å; T382-N384 VanDerWaalsContact C-N 3.34Å
383S35.2Very low36.5Very low81 Ų81134.4 Ų134.457%0.56671%0.705SS**THydrogen-bonded Turntrans-85.9-2.3177.55.40000114S379 L380 E381S379-S383 PolarHBondContact O-OG 3.16Å; L380-S383 PolarHBondContact O-OG 3.01Å; E381-S383 VanDerWaalsContact C-N 3.34Å
384N29.6Very low34.7Very low144 Ų144138.1 Ų138.177%0.7772%0.72SS**SBendtrans-95.327.5-179.6-78.8-12.8000114.4T382T382-N384 VanDerWaalsContact C-N 3.34Å
385S29.1Very low33.8Very low102 Ų102143.2 Ų143.271%0.71374%0.737SS**SBendtrans-134.7105.4169.7-82.20000112.1
386T31.4Very low32.7Very low136 Ų136146.3 Ų146.383%0.83476%0.756SS**  trans-8.8122.2162.332.20000118.4
387T29.6Very low32Very low138 Ų138141.7 Ų141.785%0.84775%0.749SS**  -164.1128.6128.617.30000110.6R389T387-R389 PolarHBondContact O-N 3Å
388K29.8Very low31.7Very low218 Ų218138.2 Ų138.295%0.94874%0.736SS**PPolyproline II helixtrans-59.7123.1178.8-74.7174.6173.2176.20110.5
389R29.8Very low31.4Very low219 Ų219141.1 Ų141.183%0.82674%0.744SS**PPolyproline II helixtrans-94.9127.3166.7-72.1-174.5177-170.1-1.7109.3D158 T387D158-R389 IonicContact OD2-NH2 2.66Å; T387-R389 PolarHBondContact O-N 3Å
390Q27.7Very low31.4Very low197 Ų197144.3 Ų144.392%0.92175%0.749SS**PPolyproline II helixtrans-74128.3165.8-84172.8-23.200108.8N392Q390-N392 PolarHBondContact O-N 3.49Å
391D27.7Very low31.3Very low154 Ų154143.8 Ų143.882%0.82475%0.747SS**  trans-68.4114.5171-86.9-36.8000110
392N27.7Very low31.2Very low164 Ų164143.8 Ų143.888%0.87775%0.752SS**  trans-121.6112.1153.3-99.9-17000107.7Q390 N394Q390-N392 PolarHBondContact O-N 3.49Å; N392-N394 PolarHBondContact O-N 3.15Å
393Q32.9Very low31.1Very low183 Ų183140.8 Ų140.886%0.85574%0.744SS**  trans-68.1115.7178.1-68173-2.100109.8
394N26.5Very low30.9Very low148 Ų148139.5 Ų139.579%0.79174%0.743SS**  trans-126.8120.2148.2-90.4-22.9000107N392 D396N392-N394 PolarHBondContact O-N 3.15Å; N394-D396 PolarHBondContact O-N 3.12Å
395D33Very low30.7Very low145 Ų145140.9 Ų140.978%0.77574%0.739SS**  trans-74.173.8-175.9-166.95.7000110.4S397D395-S397 PolarHBondContact OD1-OG 2.88Å; D395-S397 VanDerWaalsContact OD1-OG 3.09Å
396D29.6Very low30.7Very low139 Ų139144.6 Ų144.674%0.74374%0.737SS**  trans-98.372.7163.4-88.5-33.2000108.6N394 E398N394-D396 PolarHBondContact O-N 3.12Å; D396-E398 PolarHBondContact O-N 3.12Å
397S31.8Very low30.9Very low71 Ų71142.8 Ų142.850%0.49772%0.721SS.*  trans-72.877.1167.231.50000109.6D395 E399D395-S397 PolarHBondContact OD1-OG 2.88Å; D395-S397 VanDerWaalsContact OD1-OG 3.09Å; S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.88Å
398E35.9Very low30.9Very low98 Ų98141.5 Ų141.546%0.45871%0.713SS.*  trans-68.783.7170-71.2-133.1159.900110.2K193 K195 D396 H400K193-E398 IonicContact NZ-OE1 2.73Å; K193-E398 PolarHBondContact NZ-OE1 2.75Å; K193-E398 IonicContact NZ-OE2 3.64Å; K193-E398 PolarHBondContact NZ-OE2 2.9Å; K195-E398 IonicContact NZ-OE1 2.74Å; K195-E398 PolarHBondContact NZ-OE1 2.9Å; D396-E398 PolarHBondContact O-N 3.12Å; E398-H400 PolarHBondContact O-N 3.27Å
399E31.8Very low31Very low140 Ų140137.9 Ų137.965%0.65471%0.705SS**  trans-72.8100.2161.2-69.4-174.1159.900108.6S397S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.88Å
400H38.8Very low31.3Very low152 Ų152132.7 Ų132.770%0.70469%0.693SS**SBend178.8117.2124.2-87.4-61.5000111.6E398E398-H400 PolarHBondContact O-N 3.27Å
401D33.5Very low31.6Very low120 Ų120125.7 Ų125.764%0.64267%0.674SS**  trans67.362.8142.3-133.129.4000117.8G403D401-G403 VanDerWaalsContact C-N 3.32Å; D401-G403 PolarHBondContact O-N 2.83Å
402D30.7Very low32.1Very low154 Ų154123.1 Ų123.182%0.82467%0.674SS**  -61.2109.8127.4-179.942.5000105.5G404D402-G404 PolarHBondContact O-N 2.93Å
403G32Very low32.5Very low54 Ų54122.7 Ų122.756%0.55767%0.672SS**  trans-66.841.817900000113.1D401 Y405D401-G403 VanDerWaalsContact C-N 3.32Å; D401-G403 PolarHBondContact O-N 2.83Å; G403-Y405 PolarHBondContact O-N 3.44Å
404G29.7Very low32.8Very low53 Ų53119 Ų11955%0.54667%0.666SS.*  trans-69.764.8157.900000109.8D402 R406D402-G404 PolarHBondContact O-N 2.93Å; G404-R406 PolarHBondContact O-N 2.96Å; G404-R406 VanDerWaalsContact O-N 3.13Å
405Y25.3Very low33.4Very low173 Ų173119 Ų11968%0.67867%0.665SS**  trans-55.2122.1158.6-169.3-100.2000106.1G403 I407G403-Y405 PolarHBondContact O-N 3.44Å; Y405-I407 VanDerWaalsContact C-N 3.26Å; Y405-I407 PolarHBondContact O-N 3.17Å
406R28.8Very low33.9Very low181 Ų181117.7 Ų117.768%0.68367%0.665SS**  trans-56.1102.1162.8-71.8-180178.2171.2-1.9105.1G404 T408G404-R406 PolarHBondContact O-N 2.96Å; G404-R406 VanDerWaalsContact O-N 3.13Å; R406-T408 PolarHBondContact O-N 3.14Å
407I37.4Very low35.3Very low97 Ų97114.2 Ų114.250%0.49766%0.662SS.*  trans-56.894.8158.8-60.1178.4000103.8Y405 D409Y405-I407 VanDerWaalsContact C-N 3.26Å; Y405-I407 PolarHBondContact O-N 3.17Å; I407-D409 PolarHBondContact O-N 2.72Å
408T29Very low36.9Very low111 Ų111114.8 Ų114.868%0.68166%0.659SS**  trans-76.3103.1156.746.60000103.9R406R406-T408 PolarHBondContact O-N 3.14Å
409D32.5Very low39Very low143 Ų143112 Ų11277%0.76565%0.647SS**  trans5598178.8-79.5-24000117.7I407I407-D409 PolarHBondContact O-N 2.72Å
410D34.9Very low41.7Very low110 Ų110107.9 Ų107.959%0.58863%0.633SS**  -122.5106.4105.8-98.6-31.3000103.8
411G34.9Very low44Very low49 Ų49104.7 Ų104.751%0.50563%0.625SS.*  trans-47.8142.4-179.100000110.7D413G411-D413 PolarHBondContact O-N 2.96Å
412A37.5Very low46.6Very low101 Ų101105 Ų10584%0.83562%0.622SS**SBendtrans-68.339.6166.200000111.7S414A412-S414 VanDerWaalsContact C-N 3.32Å; A412-S414 PolarHBondContact O-N 2.91Å
413D36Very low49.5Very low154 Ų154101.1 Ų101.182%0.82460%0.599SS**  trans-84.990.3161.5-80.5-20.4000106.5G411 L415G411-D413 PolarHBondContact O-N 2.96Å; D413-L415 PolarHBondContact O-N 3.24Å
414S39.6Very low52.4Low105 Ų105102.8 Ų102.873%0.73459%0.591SS**  trans-56.7103.2166-56.40000107.2A412 P416A412-S414 VanDerWaalsContact C-N 3.32Å; A412-S414 PolarHBondContact O-N 2.91Å; S414-P416 WeakPolarHBondContact O-CD 3.38Å; S414-P416 VanDerWaalsContact O-N 3.13Å
415L39.4Very low55.3Low148 Ų148104.2 Ų104.278%0.77558%0.582SS**  trans-53.8115.2146.4-110.1122.3000105.6D413 G417D413-L415 PolarHBondContact O-N 3.24Å; L415-G417 PolarHBondContact O-N 3.13Å
416P42.1Very low58.5Low119 Ų119102.7 Ų102.777%0.77358%0.579SS**  trans-67.8124.9174.7-10.126.2000108.1S414S414-P416 WeakPolarHBondContact O-CD 3.38Å; S414-P416 VanDerWaalsContact O-N 3.13Å
417G60Low61.6Low66 Ų6694.3 Ų94.368%0.6855%0.547SS*.SBendtrans96.775.7148.400000118.7L415L415-G417 PolarHBondContact O-N 3.13Å
418L66.1Low64.3Low83 Ų8389.7 Ų89.744%0.43552%0.524SS..SBendtrans-144.3-39.7149.9-167.967.6000113.3E116 L119E116-L418 HydrophobicContact CB-CD2 4.18Å; E116-L418 HydrophobicContact CG-CD2 4.24Å; L119-L418 HydrophobicContact CD2-CD2 4.05Å
419L80.1Confident67.4Low40 Ų4088.1 Ų88.121%0.20951%0.509CS..  trans-134.7130.8-179-62.4168.4000111.3I123 W370 E423 K424 I427I123-L419 HydrophobicContact CD1-CD1 3.72Å; I123-L419 HydrophobicContact CD1-CD2 4.37Å; W370-L419 HydrophobicContact CZ3-CD1 4.31Å; L419-E423 HydrophobicContact CB-CB 4.32Å; L419-E423 HydrophobicContact CD2-CB 4.18Å; L419-K424 HydrophobicContact CB-CG 3.98Å; L419-K424 HydrophobicContact CD1-CG 4.39Å; L419-I427 HydrophobicContact CD1-CD1 3.72Å; L419-I427 HydrophobicContact CD2-CD1 4.04Å
420S88.1Confident70.4Confident52 Ų5283.3 Ų83.336%0.36448%0.483SS..  trans-63.6163.2168.962.70000112.1E422 E423 K424S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.22Å; S420-E423 WeakPolarHBondContact CB-OE2 3.5Å; S420-E423 PolarHBondContact N-OE2 3.41Å; S420-E423 PolarHBondContact O-N 3.04Å; S420-E423 WeakPolarHBondContact OG-CB 3.49Å; S420-E423 VanDerWaalsContact OG-CD 3.27Å; S420-E423 WeakPolarHBondContact OG-CG 3.49Å; S420-E423 PolarHBondContact OG-N 3.43Å; S420-E423 VanDerWaalsContact OG-N 3.15Å; S420-E423 PolarHBondContact OG-OE2 2.95Å; S420-K424 PolarHBondContact O-N 2.85Å
421V87.4Confident73.4Confident86 Ų8678 Ų7852%0.52146%0.455SS..Hα-helixtrans-59.7-41.9175.8176.20000110.4K424 K425V421-K424 PolarHBondContact O-N 2.94Å; V421-K425 WeakPolarHBondContact O-CB 3.46Å; V421-K425 PolarHBondContact O-N 3.28Å
422E88.3Confident76.3Confident126 Ų12676.6 Ų76.659%0.58943%0.434SS*.Hα-helixtrans-62.4-41.3176.4-7858.9-135.400112.1S420 K425 K426S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.22Å; E422-K425 PolarHBondContact O-N 2.71Å; E422-K426 WeakPolarHBondContact O-CG 3.36Å; E422-K426 PolarHBondContact O-N 3.21Å
423E90.7Very high79Confident72 Ų7272.8 Ų72.834%0.33640%0.4SS..Hα-helixtrans-67.2-43.9176.6-75.8167.1129.200112.1L419 S420 K425 K426 I427L419-E423 HydrophobicContact CB-CB 4.32Å; L419-E423 HydrophobicContact CD2-CB 4.18Å; S420-E423 WeakPolarHBondContact CB-OE2 3.5Å; S420-E423 PolarHBondContact N-OE2 3.41Å; S420-E423 PolarHBondContact O-N 3.04Å; S420-E423 WeakPolarHBondContact OG-CB 3.49Å; S420-E423 VanDerWaalsContact OG-CD 3.27Å; S420-E423 WeakPolarHBondContact OG-CG 3.49Å; S420-E423 PolarHBondContact OG-N 3.43Å; S420-E423 VanDerWaalsContact OG-N 3.15Å; S420-E423 PolarHBondContact OG-OE2 2.95Å; E423-K425 VanDerWaalsContact C-N 3.27Å; E423-K425 PolarHBondContact O-N 3.44Å; E423-K426 PolarHBondContact O-N 3.26Å; E423-I427 WeakPolarHBondContact O-CG1 3.5Å; E423-I427 PolarHBondContact O-N 2.72Å
424K91.8Very high81.9Confident89 Ų8965.5 Ų65.539%0.38736%0.361SS..Hα-helixtrans-57.3-43.8173.8-75.1-174.4179.5-1790110.9W370 L419 S420 V421 I427 G428W370-K424 HydrophobicContact CB-CB 4.15Å; W370-K424 WeakPolarHBondContact CB-O 3.16Å; W370-K424 HydrophobicContact CD2-CB 4.38Å; W370-K424 HydrophobicContact CD2-CG 4.41Å; W370-K424 HydrophobicContact CE3-CB 4.26Å; W370-K424 HydrophobicContact CE3-CG 4.21Å; W370-K424 HydrophobicContact CG-CB 4.38Å; L419-K424 HydrophobicContact CB-CG 3.98Å; L419-K424 HydrophobicContact CD1-CG 4.39Å; S420-K424 PolarHBondContact O-N 2.85Å; V421-K424 PolarHBondContact O-N 2.94Å; K424-I427 PolarHBondContact O-N 2.81Å; K424-G428 PolarHBondContact O-N 3.16Å
425K91.8Very high84.7Confident83 Ų8360.5 Ų60.536%0.36133%0.326SS..Hα-helixtrans-60.3-47.3176.3-173.7176.8179.6-178.10111.8W370 V421 E422 E423 G428 H429W370-K425 WeakPolarHBondContact O-CA 3.29Å; V421-K425 WeakPolarHBondContact O-CB 3.46Å; V421-K425 PolarHBondContact O-N 3.28Å; E422-K425 PolarHBondContact O-N 2.71Å; E423-K425 VanDerWaalsContact C-N 3.27Å; E423-K425 PolarHBondContact O-N 3.44Å; K425-G428 PolarHBondContact O-N 3.42Å; K425-H429 WeakPolarHBondContact CE-NE2 3.47Å; K425-H429 PolarHBondContact O-CD2 3.14Å; K425-H429 PolarHBondContact O-N 3.31Å
426K91.9Very high87.4Confident142 Ų14253.6 Ų53.662%0.61729%0.29SS*.Hα-helixtrans-59.9-45.4176.3-72.9173.1-177.5177.10112.1E422 E423 G428 H429 L430E422-K426 WeakPolarHBondContact O-CG 3.36Å; E422-K426 PolarHBondContact O-N 3.21Å; E423-K426 PolarHBondContact O-N 3.26Å; K426-G428 VanDerWaalsContact C-N 3.34Å; K426-G428 PolarHBondContact O-N 3.15Å; K426-H429 PolarHBondContact O-N 3.46Å; K426-L430 WeakPolarHBondContact O-CG 3.38Å; K426-L430 PolarHBondContact O-N 3.11Å
427I94.5Very high90Very high4 Ų450.3 Ų50.32%0.02126%0.264CS..Hα-helixtrans-61.2-43.9176.7-70.5162000110.7I123 L126 M367 W370 L419 E423 K424 H429 L430 C431I123-I427 HydrophobicContact CD1-CD1 3.78Å; I123-I427 HydrophobicContact CG1-CD1 4.08Å; I123-I427 HydrophobicContact CG2-CD1 4.28Å; L126-I427 HydrophobicContact CD2-CG2 3.82Å; M367-I427 HydrophobicContact CB-CG2 4.49Å; M367-I427 HydrophobicContact SD-CG2 4.22Å; W370-I427 HydrophobicContact CE3-CB 4.11Å; W370-I427 HydrophobicContact CE3-CG2 3.7Å; W370-I427 HydrophobicContact CZ3-CB 4.39Å; W370-I427 HydrophobicContact CZ3-CD1 4.39Å; W370-I427 HydrophobicContact CZ3-CG2 3.76Å; L419-I427 HydrophobicContact CD1-CD1 3.72Å; L419-I427 HydrophobicContact CD2-CD1 4.04Å; E423-I427 WeakPolarHBondContact O-CG1 3.5Å; E423-I427 PolarHBondContact O-N 2.72Å; K424-I427 PolarHBondContact O-N 2.81Å; I427-H429 PolarHBondContact O-N 3.22Å; I427-L430 PolarHBondContact O-N 2.96Å; I427-C431 PolarHBondContact O-N 3.36Å; I427-C431 PolarHBondContact O-SG 3.35Å
428G94.8Very high91.8Very high0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-60.5-43.9176.400000112.7M367 K424 K425 K426 C431 K432M367-G428 WeakPolarHBondContact O-CA 3.46Å; K424-G428 PolarHBondContact O-N 3.16Å; K425-G428 PolarHBondContact O-N 3.42Å; K426-G428 VanDerWaalsContact C-N 3.34Å; K426-G428 PolarHBondContact O-N 3.15Å; G428-C431 WeakPolarHBondContact O-CB 3.45Å; G428-C431 PolarHBondContact O-N 3.48Å; G428-K432 WeakPolarHBondContact O-CG 3.31Å; G428-K432 PolarHBondContact O-N 2.87Å
429H93.5Very high93.3Very high78 Ų7843.2 Ų43.236%0.36121%0.211SC..Hα-helixtrans-62.5-41.9174.7-75.5-63.8000112.3K425 K426 I427 C431 K432 L433K425-H429 WeakPolarHBondContact CE-NE2 3.47Å; K425-H429 PolarHBondContact O-CD2 3.14Å; K425-H429 PolarHBondContact O-N 3.31Å; K426-H429 PolarHBondContact O-N 3.46Å; I427-H429 PolarHBondContact O-N 3.22Å; H429-C431 VanDerWaalsContact C-N 3.35Å; H429-C431 PolarHBondContact O-N 2.87Å; H429-K432 PolarHBondContact O-N 3.2Å; H429-L433 WeakPolarHBondContact O-CB 3.34Å; H429-L433 PolarHBondContact O-N 2.97Å
430L95.4Very high94.2Very high42 Ų4241.8 Ų41.822%0.2220%0.203CC..Hα-helixtrans-62.5-40.4175.4-74.2173.9000112.2L126 K426 I427 L433 L434L126-L430 HydrophobicContact CD1-CB 4.46Å; L126-L430 HydrophobicContact CD2-CB 4.11Å; L126-L430 HydrophobicContact CG-CB 4.32Å; K426-L430 WeakPolarHBondContact O-CG 3.38Å; K426-L430 PolarHBondContact O-N 3.11Å; I427-L430 PolarHBondContact O-N 2.96Å; L430-L433 PolarHBondContact O-N 3.37Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.11Å
431C96.8Very high94.6Very high0 Ų041.5 Ų41.50%020%0.196CC..Hα-helixtrans-60.7-46.1175.1-67.30000111.5L126 F364 I427 G428 H429 L434 I435L126-C431 WeakPolarHBondContact CD2-SG 3.42Å; F364-C431 HydrophobicContact CB-CB 4.47Å; F364-C431 VanDerWaalsContact O-CB 3.27Å; F364-C431 WeakPolarHBondContact O-CB 3.46Å; I427-C431 PolarHBondContact O-N 3.36Å; I427-C431 PolarHBondContact O-SG 3.35Å; G428-C431 WeakPolarHBondContact O-CB 3.45Å; G428-C431 PolarHBondContact O-N 3.48Å; H429-C431 VanDerWaalsContact C-N 3.35Å; H429-C431 PolarHBondContact O-N 2.87Å; C431-L434 PolarHBondContact O-N 3.28Å; C431-I435 WeakPolarHBondContact O-CD1 3.35Å; C431-I435 VanDerWaalsContact O-CG1 3.28Å; C431-I435 WeakPolarHBondContact O-CG1 3.36Å; C431-I435 PolarHBondContact O-N 2.76Å; C431-I435 VanDerWaalsContact O-N 3.13Å
432K95.8Very high95.1Very high19 Ų1937.8 Ų37.88%0.08317%0.173CC..Hα-helixtrans-59.1-50.3176.2-69.5-173.2171.7-164.90111.1H337 S368 A371 G428 H429 L434 I435 D436 E463H337-K432 HydrophobicContact CB-CG 4.31Å; S368-K432 WeakPolarHBondContact O-CE 3.49Å; A371-K432 HydrophobicContact CB-CD 4.07Å; G428-K432 WeakPolarHBondContact O-CG 3.31Å; G428-K432 PolarHBondContact O-N 2.87Å; H429-K432 PolarHBondContact O-N 3.2Å; K432-L434 PolarHBondContact O-N 3.15Å; K432-I435 PolarHBondContact O-N 3.46Å; K432-D436 VanDerWaalsContact O-CG 3.26Å; K432-D436 PolarHBondContact O-N 3.32Å; K432-E463 IonicContact NZ-OE1 2.88Å; K432-E463 PolarHBondContact NZ-OE1 3.41Å; K432-E463 IonicContact NZ-OE2 2.9Å; K432-E463 PolarHBondContact NZ-OE2 3.47Å
433L95.4Very high95.6Very high21 Ų2131.8 Ų31.811%0.1115%0.145CC..Hα-helixtrans-59.7-43.9-179.7-179.262.3000112.3L133 L137 H429 L430 I435 D436 Q437 L452L133-L433 HydrophobicContact CB-CD2 4.01Å; L133-L433 HydrophobicContact CD1-CG 4.32Å; L137-L433 HydrophobicContact CD2-CD1 4.31Å; H429-L433 WeakPolarHBondContact O-CB 3.34Å; H429-L433 PolarHBondContact O-N 2.97Å; L430-L433 PolarHBondContact O-N 3.37Å; L433-I435 PolarHBondContact O-N 3.09Å; L433-D436 PolarHBondContact O-N 3Å; L433-Q437 WeakPolarHBondContact O-CB 3.41Å; L433-Q437 PolarHBondContact O-N 3.24Å; L433-L452 HydrophobicContact CD1-CD1 4.44Å
434L97.2Very high95.9Very high0 Ų033.1 Ų33.10%015%0.151CC..Hα-helixtrans-63.3-42.8179.3-175.768.3000111.6L126 A129 L133 Y350 F351 L354 L356 F364 L430 C431 K432 D436 Q437 G438L126-L434 HydrophobicContact CD1-CB 4.4Å; L126-L434 HydrophobicContact CD1-CD2 3.75Å; A129-L434 HydrophobicContact CB-CD1 4.1Å; A129-L434 HydrophobicContact CB-CD2 4.01Å; L133-L434 HydrophobicContact CD1-CD1 4.03Å; Y350-L434 HydrophobicContact CE1-CD1 3.82Å; F351-L434 HydrophobicContact CE1-CD2 4.33Å; F351-L434 HydrophobicContact CE2-CG 4.23Å; F351-L434 HydrophobicContact CZ-CD2 4.02Å; F351-L434 HydrophobicContact CZ-CG 3.97Å; L354-L434 HydrophobicContact CD1-CD1 3.88Å; L356-L434 HydrophobicContact CD1-CD2 3.93Å; F364-L434 HydrophobicContact CD2-CD2 3.73Å; F364-L434 HydrophobicContact CE2-CD2 3.79Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.11Å; C431-L434 PolarHBondContact O-N 3.28Å; K432-L434 PolarHBondContact O-N 3.15Å; L434-D436 VanDerWaalsContact C-N 3.34Å; L434-Q437 PolarHBondContact O-N 3.36Å; L434-G438 PolarHBondContact O-N 2.81Å
435I97.5Very high96Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-63.7-42175.9-67.7166.9000110.5H337 Y345 F351 F361 Q365 C431 K432 L433 Q437 G438 R439H337-I435 HydrophobicContact CB-CD1 4.22Å; Y345-I435 HydrophobicContact CD2-CG2 4.47Å; Y345-I435 HydrophobicContact CE2-CG2 3.72Å; Y345-I435 WeakPolarHBondContact OH-CA 3.44Å; Y345-I435 PolarHBondContact OH-O 3.33Å; F351-I435 HydrophobicContact CZ-CG1 4.18Å; F361-I435 HydrophobicContact CE2-CG1 4.12Å; F361-I435 HydrophobicContact CE2-CG2 4.48Å; Q365-I435 HydrophobicContact CB-CD1 4.21Å; C431-I435 WeakPolarHBondContact O-CD1 3.35Å; C431-I435 VanDerWaalsContact O-CG1 3.28Å; C431-I435 WeakPolarHBondContact O-CG1 3.36Å; C431-I435 PolarHBondContact O-N 2.76Å; C431-I435 VanDerWaalsContact O-N 3.13Å; K432-I435 PolarHBondContact O-N 3.46Å; L433-I435 PolarHBondContact O-N 3.09Å; I435-Q437 VanDerWaalsContact C-N 3.34Å; I435-G438 PolarHBondContact O-N 2.88Å; I435-R439 PolarHBondContact O-N 2.99Å
436D97.1Very high96.2Very high3 Ų334.4 Ų34.42%0.01616%0.158CC..Hα-helixtrans-71.1-32179.7-65.4-25.2000112.2L334 H337 K432 L433 L434 G438 R439 I440 L452L334-D436 HydrophobicContact CD1-CB 4.13Å; L334-D436 VanDerWaalsContact CD1-CG 3.41Å; L334-D436 WeakPolarHBondContact CD1-OD1 3.42Å; H337-D436 IonicContact CD2-OD1 3.66Å; H337-D436 PolarHBondContact CD2-OD1 3.49Å; H337-D436 IonicContact CE1-OD1 2.78Å; H337-D436 IonicContact CE1-OD2 3.33Å; H337-D436 IonicContact NE2-OD1 3.01Å; H337-D436 PolarHBondContact NE2-OD1 3Å; H337-D436 IonicContact NE2-OD2 2.95Å; H337-D436 PolarHBondContact NE2-OD2 2.99Å; K432-D436 VanDerWaalsContact O-CG 3.26Å; K432-D436 PolarHBondContact O-N 3.32Å; L433-D436 PolarHBondContact O-N 3Å; L434-D436 VanDerWaalsContact C-N 3.34Å; D436-G438 VanDerWaalsContact C-N 3.31Å; D436-G438 PolarHBondContact O-N 3.46Å; D436-R439 WeakPolarHBondContact O-CA 3.32Å; D436-R439 WeakPolarHBondContact O-CB 3.48Å; D436-R439 PolarHBondContact O-N 3.24Å; D436-R439 IonicContact OD1-CZ 3.72Å; D436-R439 IonicContact OD1-NH1 3.55Å; D436-R439 PolarHBondContact OD1-NH1 3.4Å; D436-I440 WeakPolarHBondContact O-CG1 3.3Å; D436-I440 PolarHBondContact O-N 3.48Å; D436-L452 HydrophobicContact CB-CD1 3.61Å; D436-L452 HydrophobicContact CB-CD2 4.2Å
437Q96.8Very high96.3Very high50 Ų5029.1 Ų29.123%0.23415%0.145CC..Hα-helixtrans-64.6-35.4174.8-17261.816.400112.4L133 Y350 L433 L434 I435 R439 I440 Q441L133-Q437 HydrophobicContact CD1-CB 4.31Å; L133-Q437 HydrophobicContact CD1-CG 4.46Å; L133-Q437 HydrophobicContact CD2-CB 4.45Å; L133-Q437 HydrophobicContact CD2-CG 3.75Å; Y350-Q437 HydrophobicContact CE1-CB 4Å; Y350-Q437 HydrophobicContact CE1-CG 3.96Å; Y350-Q437 HydrophobicContact CE2-CG 4.1Å; Y350-Q437 WeakPolarHBondContact OH-CG 3.4Å; L433-Q437 WeakPolarHBondContact O-CB 3.41Å; L433-Q437 PolarHBondContact O-N 3.24Å; L434-Q437 PolarHBondContact O-N 3.36Å; I435-Q437 VanDerWaalsContact C-N 3.34Å; Q437-R439 VanDerWaalsContact C-N 3.28Å; Q437-R439 PolarHBondContact O-N 2.79Å; Q437-I440 WeakPolarHBondContact O-CB 3.29Å; Q437-I440 PolarHBondContact O-N 3.27Å; Q437-Q441 PolarHBondContact O-N 3.14Å
438G97.3Very high96.4Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-64.5-32.5171.800000112.8Y345 Y350 L434 I435 D436 Y442Y345-G438 VanDerWaalsContact OH-CA 3.31Å; Y345-G438 WeakPolarHBondContact OH-CA 3.26Å; Y350-G438 VanDerWaalsContact CD1-CA 3.44Å; L434-G438 PolarHBondContact O-N 2.81Å; I435-G438 PolarHBondContact O-N 2.88Å; D436-G438 VanDerWaalsContact C-N 3.31Å; D436-G438 PolarHBondContact O-N 3.46Å; G438-Y442 VanDerWaalsContact O-CB 3.31Å; G438-Y442 WeakPolarHBondContact O-CB 3.48Å; G438-Y442 PolarHBondContact O-N 3.44Å
439R97.8Very high96.5Very high1 Ų133.3 Ų33.30%0.00417%0.172CC..Hα-helixtrans-68.9-38.1172.4-62.5170.6173.6154.2-8.7111.7D273 L276 C340 Y345 V346 I435 D436 Q437 L443 L467D273-R439 IonicContact OD1-CZ 2.79Å; D273-R439 IonicContact OD1-NE 3.93Å; D273-R439 PolarHBondContact OD1-NE 3.25Å; D273-R439 IonicContact OD1-NH2 2.79Å; D273-R439 IonicContact OD2-CZ 2.77Å; D273-R439 IonicContact OD2-NE 2.91Å; D273-R439 IonicContact OD2-NH2 3.33Å; D273-R439 PolarHBondContact OD2-NH2 3.28Å; L276-R439 HydrophobicContact CD1-CB 4.25Å; L276-R439 HydrophobicContact CD1-CG 4.3Å; C340-R439 PolarHBondContact SG-NH2 3.2Å; C340-R439 VanDerWaalsContact SG-NH2 3.37Å; Y345-R439 HydrophobicContact CE2-CG 4.19Å; V346-R439 HydrophobicContact CG2-CB 4.48Å; V346-R439 HydrophobicContact CG2-CG 4Å; I435-R439 PolarHBondContact O-N 2.99Å; D436-R439 WeakPolarHBondContact O-CA 3.32Å; D436-R439 WeakPolarHBondContact O-CB 3.48Å; D436-R439 PolarHBondContact O-N 3.24Å; D436-R439 IonicContact OD1-CZ 3.72Å; D436-R439 IonicContact OD1-NH1 3.55Å; D436-R439 PolarHBondContact OD1-NH1 3.4Å; Q437-R439 VanDerWaalsContact C-N 3.28Å; Q437-R439 PolarHBondContact O-N 2.79Å; R439-L443 WeakPolarHBondContact O-CB 3.49Å; R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.19Å; R439-L467 HydrophobicContact CB-CD2 4.47Å
440I97.7Very high96.7Very high9 Ų930.5 Ų30.55%0.04616%0.161CC..Hα-helixtrans-60.8-51.4173.5-69.7-70.1000110.7D436 Q437 Y442 L443 Q444 P450 L452 L467D436-I440 WeakPolarHBondContact O-CG1 3.3Å; D436-I440 PolarHBondContact O-N 3.48Å; Q437-I440 WeakPolarHBondContact O-CB 3.29Å; Q437-I440 PolarHBondContact O-N 3.27Å; I440-Y442 VanDerWaalsContact C-N 3.33Å; I440-Y442 PolarHBondContact O-N 3.33Å; I440-L443 PolarHBondContact O-N 2.83Å; I440-Q444 WeakPolarHBondContact O-CG 3.45Å; I440-Q444 PolarHBondContact O-N 3.28Å; I440-P450 HydrophobicContact CB-CG 4.47Å; I440-P450 HydrophobicContact CD1-CB 3.69Å; I440-P450 HydrophobicContact CD1-CG 3.82Å; I440-P450 HydrophobicContact CG2-CG 4.03Å; I440-L452 HydrophobicContact CD1-CD1 4.42Å; I440-L452 HydrophobicContact CD1-CD2 4.2Å; I440-L452 HydrophobicContact CD1-CG 3.78Å; I440-L452 HydrophobicContact CG1-CD1 3.87Å; I440-L452 HydrophobicContact CG1-CD2 4.32Å; I440-L452 HydrophobicContact CG1-CG 3.79Å; I440-L467 HydrophobicContact CD1-CD1 3.67Å; I440-L467 HydrophobicContact CG1-CD1 4.5Å
441Q97.4Very high96.8Very high47 Ų4730.5 Ų30.522%0.2217%0.167CC..Hα-helixtrans-61.2-43.7179.6-164.8-149.326.800111.3Y350 Q437 L443 Q444 Q445Y350-Q441 HydrophobicContact CD2-CB 4.06Å; Y350-Q441 HydrophobicContact CD2-CG 4.23Å; Y350-Q441 HydrophobicContact CG-CB 4.45Å; Q437-Q441 PolarHBondContact O-N 3.14Å; Q441-L443 PolarHBondContact O-N 3.44Å; Q441-Q444 PolarHBondContact O-N 3.39Å; Q441-Q445 WeakPolarHBondContact O-CG 3.38Å; Q441-Q445 PolarHBondContact O-N 2.97Å
442Y97.8Very high96.8Very high8 Ų831.7 Ų31.73%0.03117%0.173CC..Hα-helixtrans-57-47.8175.7169.6-97000111.8L276 I280 E281 V346 G438 I440 Q444 Q445 K446L276-Y442 HydrophobicContact CB-CE1 4.13Å; I280-Y442 HydrophobicContact CD1-CE1 3.92Å; E281-Y442 VanDerWaalsContact CD-OH 3.31Å; E281-Y442 VanDerWaalsContact CG-OH 3.24Å; E281-Y442 WeakPolarHBondContact CG-OH 3.37Å; E281-Y442 PolarHBondContact OE1-OH 2.85Å; V346-Y442 HydrophobicContact CB-CD1 3.77Å; V346-Y442 HydrophobicContact CB-CD2 3.74Å; V346-Y442 HydrophobicContact CB-CE1 3.98Å; V346-Y442 HydrophobicContact CB-CE2 3.93Å; V346-Y442 HydrophobicContact CB-CG 3.64Å; V346-Y442 HydrophobicContact CG1-CD1 4.3Å; V346-Y442 HydrophobicContact CG1-CD2 4.48Å; V346-Y442 HydrophobicContact CG1-CE1 4Å; V346-Y442 HydrophobicContact CG1-CE2 4.19Å; V346-Y442 HydrophobicContact CG2-CD1 3.71Å; V346-Y442 HydrophobicContact CG2-CD2 4.42Å; V346-Y442 HydrophobicContact CG2-CE1 4.23Å; V346-Y442 HydrophobicContact CG2-CG 3.81Å; V346-Y442 WeakPolarHBondContact O-CD2 3.36Å; G438-Y442 VanDerWaalsContact O-CB 3.31Å; G438-Y442 WeakPolarHBondContact O-CB 3.48Å; G438-Y442 PolarHBondContact O-N 3.44Å; I440-Y442 VanDerWaalsContact C-N 3.33Å; I440-Y442 PolarHBondContact O-N 3.33Å; Y442-Q444 PolarHBondContact O-N 2.99Å; Y442-Q445 PolarHBondContact O-N 3.2Å; Y442-K446 HydrophobicContact CE1-CG 4.47Å; Y442-K446 HydrophobicContact CE2-CG 4.28Å; Y442-K446 VanDerWaalsContact O-CG 3.26Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å; Y442-K446 PolarHBondContact O-N 3.4Å
443L97.9Very high96.8Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-63-40.7177.6-79.6164.4000112.7L276 I280 I330 R439 I440 Q441 K446 G447 F448 P450 L467 A469L276-L443 HydrophobicContact CD2-CD1 4.38Å; L276-L443 HydrophobicContact CD2-CD2 4.28Å; I280-L443 HydrophobicContact CD1-CD2 3.36Å; I330-L443 HydrophobicContact CD1-CD2 3.88Å; R439-L443 WeakPolarHBondContact O-CB 3.49Å; R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.19Å; I440-L443 PolarHBondContact O-N 2.83Å; Q441-L443 PolarHBondContact O-N 3.44Å; L443-K446 CarbonylContact O-C 3.55Å; L443-K446 PolarHBondContact O-N 3.23Å; L443-G447 PolarHBondContact O-N 3.18Å; L443-F448 HydrophobicContact CB-CB 4.39Å; L443-F448 HydrophobicContact CD2-CB 4.42Å; L443-F448 HydrophobicContact CD2-CG 4.39Å; L443-F448 WeakPolarHBondContact O-CB 3.33Å; L443-F448 PolarHBondContact O-N 3.16Å; L443-P450 HydrophobicContact CB-CB 3.83Å; L443-P450 HydrophobicContact CB-CG 3.8Å; L443-P450 HydrophobicContact CD1-CB 3.83Å; L443-P450 HydrophobicContact CG-CB 4.45Å; L443-L467 HydrophobicContact CD1-CD1 3.86Å; L443-L467 HydrophobicContact CD1-CD2 3.88Å; L443-L467 HydrophobicContact CD1-CG 4.15Å; L443-A469 HydrophobicContact CD1-CB 4.13Å; L443-A469 HydrophobicContact CD2-CB 4.17Å
444Q97.1Very high96.8Very high100 Ų10032.9 Ų32.947%0.46718%0.177SC..Hα-helixtrans-61.3-45.5176.3-73.3170.7-23.200111.9I440 Q441 Y442 K446 G447 F448 P450I440-Q444 WeakPolarHBondContact O-CG 3.45Å; I440-Q444 PolarHBondContact O-N 3.28Å; Q441-Q444 PolarHBondContact O-N 3.39Å; Y442-Q444 PolarHBondContact O-N 2.99Å; Q444-K446 PolarHBondContact O-N 3.15Å; Q444-G447 PolarHBondContact O-N 3.37Å; Q444-F448 WeakPolarHBondContact CA-O 3.34Å; Q444-P450 HydrophobicContact CG-CG 3.68Å
445Q95.6Very high96.8Very high110 Ų11032.9 Ų32.951%0.51418%0.177SC..Hα-helixtrans-61.4-28.5176.8-72.3171.71.400112.5Q441 Y442 G447Q441-Q445 WeakPolarHBondContact O-CG 3.38Å; Q441-Q445 PolarHBondContact O-N 2.97Å; Y442-Q445 PolarHBondContact O-N 3.2Å; Q445-G447 VanDerWaalsContact C-N 3.28Å; Q445-G447 PolarHBondContact O-N 2.98Å
446K94.7Very high96.7Very high88 Ų8833.1 Ų33.138%0.38318%0.178SC..THydrogen-bonded Turntrans-9015177.5-59.2-71.5-171.91720113.3I280 E281 Y442 L443 Q444 F448I280-K446 HydrophobicContact CG2-CB 3.61Å; I280-K446 HydrophobicContact CG2-CD 3.86Å; I280-K446 HydrophobicContact CG2-CG 3.69Å; E281-K446 WeakPolarHBondContact OE1-CE 3.21Å; E281-K446 IonicContact OE1-NZ 2.85Å; E281-K446 PolarHBondContact OE1-NZ 3.41Å; Y442-K446 HydrophobicContact CE1-CG 4.47Å; Y442-K446 HydrophobicContact CE2-CG 4.28Å; Y442-K446 VanDerWaalsContact O-CG 3.26Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å; Y442-K446 PolarHBondContact O-N 3.4Å; L443-K446 CarbonylContact O-C 3.55Å; L443-K446 PolarHBondContact O-N 3.23Å; Q444-K446 PolarHBondContact O-N 3.15Å; K446-F448 HydrophobicContact CB-CD2 4.35Å; K446-F448 VanDerWaalsContact O-CD2 3.31Å; K446-F448 WeakPolarHBondContact O-CD2 3.41Å
447G94.6Very high96.5Very high32 Ų3236.2 Ų36.233%0.3320%0.195SC..THydrogen-bonded Turntrans79.624.2172.900000114.9L443 Q444 Q445 N472L443-G447 PolarHBondContact O-N 3.18Å; Q444-G447 PolarHBondContact O-N 3.37Å; Q445-G447 VanDerWaalsContact C-N 3.28Å; Q445-G447 PolarHBondContact O-N 2.98Å; G447-N472 WeakPolarHBondContact O-CB 3.49Å; G447-N472 VanDerWaalsContact O-CG 3.23Å; G447-N472 PolarHBondContact O-N 3.35Å; G447-N472 PolarHBondContact O-ND2 3.3Å
448F96.4Very high96.2Very high15 Ų1537 Ų377%0.06621%0.205CC..EExtended strand (participates in β ladder)trans-104.9158.4172.2-68.9-104.1000111.5I280 V327 L443 Q444 K446 P450 A469 L470 P471 N472I280-F448 HydrophobicContact CD1-CE2 4.4Å; I280-F448 HydrophobicContact CG1-CE2 4.11Å; I280-F448 HydrophobicContact CG1-CZ 4.43Å; V327-F448 HydrophobicContact CB-CE1 4.39Å; V327-F448 HydrophobicContact CB-CZ 4.13Å; V327-F448 HydrophobicContact CG1-CE1 4.09Å; V327-F448 HydrophobicContact CG1-CZ 4.21Å; L443-F448 HydrophobicContact CB-CB 4.39Å; L443-F448 HydrophobicContact CD2-CB 4.42Å; L443-F448 HydrophobicContact CD2-CG 4.39Å; L443-F448 WeakPolarHBondContact O-CB 3.33Å; L443-F448 PolarHBondContact O-N 3.16Å; Q444-F448 WeakPolarHBondContact CA-O 3.34Å; K446-F448 HydrophobicContact CB-CD2 4.35Å; K446-F448 VanDerWaalsContact O-CD2 3.31Å; K446-F448 WeakPolarHBondContact O-CD2 3.41Å; F448-P450 WeakPolarHBondContact O-CD 3.42Å; F448-A469 HydrophobicContact CB-CB 4.15Å; F448-A469 HydrophobicContact CD1-CB 4.15Å; F448-A469 HydrophobicContact CG-CB 4.48Å; F448-L470 CarbonylContact C-O 3.52Å; F448-L470 VanDerWaalsContact CA-O 3.26Å; F448-L470 WeakPolarHBondContact CA-O 3.18Å; F448-L470 WeakPolarHBondContact CB-O 3.38Å; F448-L470 VanDerWaalsContact CD1-C 3.48Å; F448-P471 HydrophobicContact CD1-CG 4.32Å; F448-P471 HydrophobicContact CE1-CB 4.47Å; F448-P471 HydrophobicContact CE1-CG 3.86Å; F448-N472 PolarHBondContact O-OD1 2.95Å
449S97.4Very high95.8Very high76 Ų7643.8 Ų43.853%0.53124%0.24SC..EExtended strand (participates in β ladder)trans-102.691.4167.1-77.40000108.5L470 N472S449-L470 PolarHBondContact N-O 2.88Å; S449-L470 PolarHBondContact O-N 3.43Å; S449-N472 WeakPolarHBondContact CB-OD1 3.15Å; S449-N472 PolarHBondContact N-OD1 2.94Å; S449-N472 PolarHBondContact OG-OD1 3.32Å
450P97.5Very high95.5Very high20 Ų2044.7 Ų44.713%0.1325%0.245CC..EExtended strand (participates in β ladder)trans-94.9157.8-177.442.2-41.6000112.8I440 L443 Q444 F448 L467 T468 A469I440-P450 HydrophobicContact CB-CG 4.47Å; I440-P450 HydrophobicContact CD1-CB 3.69Å; I440-P450 HydrophobicContact CD1-CG 3.82Å; I440-P450 HydrophobicContact CG2-CG 4.03Å; L443-P450 HydrophobicContact CB-CB 3.83Å; L443-P450 HydrophobicContact CB-CG 3.8Å; L443-P450 HydrophobicContact CD1-CB 3.83Å; L443-P450 HydrophobicContact CG-CB 4.45Å; Q444-P450 HydrophobicContact CG-CG 3.68Å; F448-P450 WeakPolarHBondContact O-CD 3.42Å; P450-L467 HydrophobicContact CB-CD1 4.44Å; P450-T468 CarbonylContact C-O 3.25Å; P450-T468 WeakPolarHBondContact CA-O 3.45Å; P450-A469 HydrophobicContact CB-CB 3.89Å
451A96.7Very high95.1Very high42 Ų4245.1 Ų45.135%0.34725%0.249SC..EExtended strand (participates in β ladder)trans-144149.3176.100000111.8L467 T468A451-L467 WeakPolarHBondContact O-CA 3.46Å; A451-T468 PolarHBondContact N-O 3.27Å; A451-T468 PolarHBondContact O-N 3.06Å
452L96.6Very high94.7Very high24 Ų2445.6 Ų45.613%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-110.2133.7168.5-63.1174.6000109.2L137 L334 L433 D436 I440 V465 L466 L467L137-L452 HydrophobicContact CD1-CB 3.91Å; L137-L452 HydrophobicContact CD2-CB 3.75Å; L137-L452 HydrophobicContact CG-CB 4.45Å; L334-L452 HydrophobicContact CD1-CD2 3.79Å; L433-L452 HydrophobicContact CD1-CD1 4.44Å; D436-L452 HydrophobicContact CB-CD1 3.61Å; D436-L452 HydrophobicContact CB-CD2 4.2Å; I440-L452 HydrophobicContact CD1-CD1 4.42Å; I440-L452 HydrophobicContact CD1-CD2 4.2Å; I440-L452 HydrophobicContact CD1-CG 3.78Å; I440-L452 HydrophobicContact CG1-CD1 3.87Å; I440-L452 HydrophobicContact CG1-CD2 4.32Å; I440-L452 HydrophobicContact CG1-CG 3.79Å; L452-V465 HydrophobicContact CB-CG1 4.31Å; L452-V465 HydrophobicContact CD2-CG1 4.03Å; L452-L466 WeakPolarHBondContact CA-O 3.19Å; L452-L467 HydrophobicContact CD2-CB 4.14Å; L452-L467 HydrophobicContact CD2-CD1 3.81Å
453Q96.1Very high94.3Very high16 Ų1646.9 Ų46.98%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-150.4151.9-178.455.9-178.154.800111.2K138 H140 N173 Y455 V465 L466K138-Q453 WeakPolarHBondContact O-CA 3.13Å; K138-Q453 WeakPolarHBondContact O-CB 3.44Å; H140-Q453 HydrophobicContact CB-CB 4.18Å; H140-Q453 HydrophobicContact CB-CG 4.28Å; H140-Q453 PolarHBondContact CD2-OE1 2.89Å; N173-Q453 VanDerWaalsContact CG-NE2 3.32Å; N173-Q453 PolarHBondContact OD1-NE2 3.17Å; Q453-Y455 PolarHBondContact O-N 3.01Å; Q453-V465 WeakPolarHBondContact O-CA 3.45Å; Q453-L466 HydrophobicContact CG-CB 4.14Å; Q453-L466 PolarHBondContact N-O 3.4Å; Q453-L466 VanDerWaalsContact N-O 3.16Å; Q453-L466 PolarHBondContact O-N 2.73Å
454Y96.6Very high94.1Very high50 Ų5047.5 Ų47.520%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-77.2119.1170.1-65.1-56.5000109.4L137 K138 D139 H140 N464 V465L137-Y454 HydrophobicContact CB-CD2 3.84Å; L137-Y454 HydrophobicContact CB-CE1 4.48Å; L137-Y454 HydrophobicContact CB-CE2 3.68Å; L137-Y454 HydrophobicContact CB-CG 4.31Å; L137-Y454 HydrophobicContact CD1-CD1 4.46Å; L137-Y454 HydrophobicContact CD1-CE1 4.14Å; L137-Y454 HydrophobicContact CG-CE2 4.39Å; L137-Y454 WeakPolarHBondContact O-CD2 3.33Å; K138-Y454 PolarHBondContact O-N 2.99Å; D139-Y454 WeakPolarHBondContact OD1-CB 3.36Å; D139-Y454 WeakPolarHBondContact OD1-CD2 3.45Å; H140-Y454 CarbonylContact C-O 3.56Å; H140-Y454 VanDerWaalsContact C-O 3.31Å; H140-Y454 PolarHBondContact N-O 3.28Å; Y454-N464 CarbonylContact C-O 3.55Å; Y454-N464 VanDerWaalsContact CA-O 3.27Å; Y454-N464 WeakPolarHBondContact CA-O 3.49Å; Y454-N464 WeakPolarHBondContact CD1-ND2 3.26Å; Y454-V465 HydrophobicContact CD1-CG2 3.99Å; Y454-V465 HydrophobicContact CE1-CG2 3.8Å
455Y96.2Very high94Very high0 Ų043.7 Ų43.70%025%0.246CC..  trans-101.6-10.3-177.679.9-81.2000113.2Q166 S169 I170 A333 Q453 E463 N464 L466Q166-Y455 HydrophobicContact CB-CE2 3.94Å; Q166-Y455 HydrophobicContact CG-CE2 4.02Å; Q166-Y455 PolarHBondContact OE1-OH 2.95Å; Q166-Y455 VanDerWaalsContact OE1-OH 3.12Å; S169-Y455 WeakPolarHBondContact CB-O 3.5Å; S169-Y455 PolarHBondContact OG-O 3.48Å; I170-Y455 HydrophobicContact CD1-CD2 4.44Å; I170-Y455 HydrophobicContact CD1-CE2 3.91Å; I170-Y455 HydrophobicContact CG1-CD2 3.77Å; I170-Y455 HydrophobicContact CG1-CE2 3.75Å; A333-Y455 HydrophobicContact CB-CD1 4.41Å; A333-Y455 HydrophobicContact CB-CE1 3.65Å; A333-Y455 HydrophobicContact CB-CE2 4.46Å; Q453-Y455 PolarHBondContact O-N 3.01Å; Y455-E463 PolarHBondContact OH-O 2.79Å; Y455-N464 VanDerWaalsContact CD1-C 3.4Å; Y455-N464 WeakPolarHBondContact CD1-O 3.5Å; Y455-N464 VanDerWaalsContact CE1-C 3.46Å; Y455-N464 PolarHBondContact N-O 2.81Å; Y455-L466 HydrophobicContact CD1-CB 3.74Å; Y455-L466 HydrophobicContact CD1-CD1 4.45Å; Y455-L466 HydrophobicContact CG-CB 3.97Å; Y455-L466 HydrophobicContact CG-CD1 4.45Å
456T94.9Very high94.1Very high5 Ų538.5 Ų38.53%0.03122%0.222CC..SBendtrans-150159.6176.2-157.90000110.7Q166 V460 N464Q166-T456 HydrophobicContact CG-CG2 4.1Å; T456-V460 HydrophobicContact CG2-CB 4.26Å; T456-V460 HydrophobicContact CG2-CG1 4.3Å; T456-V460 WeakPolarHBondContact OG1-CB 3.47Å; T456-V460 WeakPolarHBondContact OG1-CG1 3.46Å; T456-N464 HydrophobicContact CG2-CB 3.63Å; T456-N464 VanDerWaalsContact O-CB 3.31Å; T456-N464 WeakPolarHBondContact O-CB 3.35Å; T456-N464 PolarHBondContact O-ND2 2.95Å; T456-N464 VanDerWaalsContact O-ND2 3.09Å
457D93.2Very high94.2Very high68 Ų6834.3 Ų34.336%0.36420%0.204SC..  trans-65.5138.6178.1-171.3-73000110.2I141 L459 V460 S461I141-D457 HydrophobicContact CD1-CB 4.43Å; D457-L459 PolarHBondContact O-N 3.44Å; D457-L459 WeakPolarHBondContact OD1-CB 3.49Å; D457-L459 WeakPolarHBondContact OD1-CG 3.41Å; D457-L459 PolarHBondContact OD1-N 3.16Å; D457-V460 HydrophobicContact CB-CG2 4.22Å; D457-V460 WeakPolarHBondContact O-CA 3.44Å; D457-V460 WeakPolarHBondContact O-CB 3.28Å; D457-V460 PolarHBondContact O-N 3.35Å; D457-S461 PolarHBondContact O-N 2.8Å; D457-S461 VanDerWaalsContact O-N 3.16Å
458P90.4Very high94.4Very high67 Ų6733.1 Ų33.144%0.43519%0.19SC..THydrogen-bonded Turntrans-52.5-26.1175.2-27.535.1000115V460 S461 L462P458-V460 VanDerWaalsContact C-N 3.31Å; P458-S461 WeakPolarHBondContact CA-O 3.16Å; P458-S461 CarbonylContact O-C 3.54Å; P458-L462 WeakPolarHBondContact O-CD2 3.37Å
459L89.8Confident94.5Very high141 Ų14132.4 Ų32.474%0.73819%0.187SC*.THydrogen-bonded Turntrans-70.8-26.5174.3-60.8173.9000112.6K162 D457K162-L459 WeakPolarHBondContact CE-O 3.37Å; D457-L459 PolarHBondContact O-N 3.44Å; D457-L459 WeakPolarHBondContact OD1-CB 3.49Å; D457-L459 WeakPolarHBondContact OD1-CG 3.41Å; D457-L459 PolarHBondContact OD1-N 3.16Å
460V90.6Very high94.5Very high20 Ų2031.1 Ų31.112%0.12117%0.174CC..THydrogen-bonded Turntrans-79.5-50174.11770000110.1K162 K165 Q166 T456 D457 P458K162-V460 HydrophobicContact CB-CG1 4.15Å; K162-V460 WeakPolarHBondContact CD-O 3.2Å; K162-V460 HydrophobicContact CG-CG1 4.26Å; K162-V460 WeakPolarHBondContact O-CG1 3.39Å; K165-V460 HydrophobicContact CB-CG1 4.03Å; K165-V460 HydrophobicContact CD-CG2 3.81Å; Q166-V460 HydrophobicContact CG-CG1 3.9Å; T456-V460 HydrophobicContact CG2-CB 4.26Å; T456-V460 HydrophobicContact CG2-CG1 4.3Å; T456-V460 WeakPolarHBondContact OG1-CB 3.47Å; T456-V460 WeakPolarHBondContact OG1-CG1 3.46Å; D457-V460 HydrophobicContact CB-CG2 4.22Å; D457-V460 WeakPolarHBondContact O-CA 3.44Å; D457-V460 WeakPolarHBondContact O-CB 3.28Å; D457-V460 PolarHBondContact O-N 3.35Å; P458-V460 VanDerWaalsContact C-N 3.31Å
461S90.6Very high94.3Very high18 Ų1830.9 Ų30.913%0.12617%0.172CC..  trans-151.4138.5178-179.10000110.5Q166 D457 P458 E463 N464Q166-S461 VanDerWaalsContact OE1-CB 3.32Å; Q166-S461 PolarHBondContact OE1-OG 3.41Å; D457-S461 PolarHBondContact O-N 2.8Å; D457-S461 VanDerWaalsContact O-N 3.16Å; P458-S461 WeakPolarHBondContact CA-O 3.16Å; P458-S461 CarbonylContact O-C 3.54Å; S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact OG-N 2.68Å; S461-E463 VanDerWaalsContact OG-N 3.1Å; S461-E463 PolarHBondContact OG-O 3.46Å; S461-N464 WeakPolarHBondContact O-CB 3.49Å
462L87.8Confident94.1Very high57 Ų5732.2 Ų32.230%0.29817%0.174SC..SBendtrans-79.5-14.3170.5-57.5178.4000112.7T372 M375 P458T372-L462 HydrophobicContact CG2-CB 3.85Å; T372-L462 HydrophobicContact CG2-CD1 3.95Å; M375-L462 HydrophobicContact CE-CD1 4.38Å; M375-L462 HydrophobicContact CE-CD2 3.4Å; M375-L462 HydrophobicContact CE-CG 4.49Å; M375-L462 HydrophobicContact SD-CD1 3.88Å; M375-L462 HydrophobicContact SD-CD2 3.87Å; P458-L462 WeakPolarHBondContact O-CD2 3.37Å
463E88.9Confident93Very high35 Ų3538.5 Ų38.516%0.16420%0.202CC..  trans-99.773.8171.5-56.6-62.6165.600107.5C335 K432 Y455 S461C335-E463 HydrophobicContact CB-CB 3.7Å; C335-E463 HydrophobicContact CB-CG 3.76Å; K432-E463 IonicContact NZ-OE1 2.88Å; K432-E463 PolarHBondContact NZ-OE1 3.41Å; K432-E463 IonicContact NZ-OE2 2.9Å; K432-E463 PolarHBondContact NZ-OE2 3.47Å; Y455-E463 PolarHBondContact OH-O 2.79Å; S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact OG-N 2.68Å; S461-E463 VanDerWaalsContact OG-N 3.1Å; S461-E463 PolarHBondContact OG-O 3.46Å
464N93.6Very high90.8Very high13 Ų1341.9 Ų41.97%0.0723%0.227CC..  trans-11216.1-168.966.7-26.6000114.2Y454 Y455 T456 S461Y454-N464 CarbonylContact C-O 3.55Å; Y454-N464 VanDerWaalsContact CA-O 3.27Å; Y454-N464 WeakPolarHBondContact CA-O 3.49Å; Y454-N464 WeakPolarHBondContact CD1-ND2 3.26Å; Y455-N464 VanDerWaalsContact CD1-C 3.4Å; Y455-N464 WeakPolarHBondContact CD1-O 3.5Å; Y455-N464 VanDerWaalsContact CE1-C 3.46Å; Y455-N464 PolarHBondContact N-O 2.81Å; T456-N464 HydrophobicContact CG2-CB 3.63Å; T456-N464 VanDerWaalsContact O-CB 3.31Å; T456-N464 WeakPolarHBondContact O-CB 3.35Å; T456-N464 PolarHBondContact O-ND2 2.95Å; T456-N464 VanDerWaalsContact O-ND2 3.09Å; S461-N464 WeakPolarHBondContact O-CB 3.49Å
465V95.6Very high88.1Confident21 Ų2144.5 Ų44.513%0.12725%0.253CS..EExtended strand (participates in β ladder)trans-94.1131.8176.6-1780000110.1L137 L334 L452 Q453 Y454L137-V465 HydrophobicContact CD1-CB 4.4Å; L137-V465 HydrophobicContact CD1-CG1 3.69Å; L137-V465 HydrophobicContact CD1-CG2 3.83Å; L334-V465 HydrophobicContact CD1-CG1 4.1Å; L334-V465 PolarHBondContact N-O 3.3Å; L452-V465 HydrophobicContact CB-CG1 4.31Å; L452-V465 HydrophobicContact CD2-CG1 4.03Å; Q453-V465 WeakPolarHBondContact O-CA 3.45Å; Y454-V465 HydrophobicContact CD1-CG2 3.99Å; Y454-V465 HydrophobicContact CE1-CG2 3.8Å
466L97.4Very high85Confident0 Ų049.1 Ų49.10%029%0.285CS..EExtended strand (participates in β ladder)trans-111.8126.8175-170.773000109.5I170 N173 V331 A333 L452 Q453 Y455 T468I170-L466 HydrophobicContact CG1-CD1 4.09Å; N173-L466 HydrophobicContact CB-CD2 3.83Å; V331-L466 HydrophobicContact CG1-CD1 3.9Å; V331-L466 HydrophobicContact CG1-CD2 3.99Å; V331-L466 HydrophobicContact CG1-CG 4.21Å; A333-L466 HydrophobicContact CB-CD1 3.91Å; L452-L466 WeakPolarHBondContact CA-O 3.19Å; Q453-L466 HydrophobicContact CG-CB 4.14Å; Q453-L466 PolarHBondContact N-O 3.4Å; Q453-L466 VanDerWaalsContact N-O 3.16Å; Q453-L466 PolarHBondContact O-N 2.73Å; Y455-L466 HydrophobicContact CD1-CB 3.74Å; Y455-L466 HydrophobicContact CD1-CD1 4.45Å; Y455-L466 HydrophobicContact CG-CB 3.97Å; Y455-L466 HydrophobicContact CG-CD1 4.45Å; L466-T468 HydrophobicContact CD2-CG2 3.79Å; L466-T468 HydrophobicContact CG-CG2 3.97Å
467L97.9Very high82.1Confident0 Ų054.4 Ų54.40%032%0.32CS..EExtended strand (participates in β ladder)trans-90.9120.5167177.461.1000108.8L276 V331 I332 L334 R439 I440 L443 P450 A451 L452L276-L467 HydrophobicContact CD1-CD2 4.27Å; L276-L467 HydrophobicContact CD2-CD2 4.41Å; V331-L467 WeakPolarHBondContact CA-O 3.49Å; I332-L467 PolarHBondContact N-O 2.91Å; I332-L467 PolarHBondContact O-N 3.36Å; L334-L467 HydrophobicContact CD1-CB 3.95Å; L334-L467 HydrophobicContact CD2-CB 3.92Å; L334-L467 HydrophobicContact CD2-CD2 4.21Å; L334-L467 HydrophobicContact CG-CB 3.95Å; R439-L467 HydrophobicContact CB-CD2 4.47Å; I440-L467 HydrophobicContact CD1-CD1 3.67Å; I440-L467 HydrophobicContact CG1-CD1 4.5Å; L443-L467 HydrophobicContact CD1-CD1 3.86Å; L443-L467 HydrophobicContact CD1-CD2 3.88Å; L443-L467 HydrophobicContact CD1-CG 4.15Å; P450-L467 HydrophobicContact CB-CD1 4.44Å; A451-L467 WeakPolarHBondContact O-CA 3.46Å; L452-L467 HydrophobicContact CD2-CB 4.14Å; L452-L467 HydrophobicContact CD2-CD1 3.81Å
468T98.3Very high79.3Confident7 Ų759.8 Ų59.84%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-116149.2171.2620000109.8L177 I330 V331 P450 A451 L466L177-T468 HydrophobicContact CD1-CG2 3.84Å; I330-T468 CarbonylContact O-C 3.51Å; I330-T468 WeakPolarHBondContact O-CA 3.13Å; V331-T468 HydrophobicContact CG1-CG2 4.35Å; V331-T468 HydrophobicContact CG2-CG2 4.49Å; P450-T468 CarbonylContact C-O 3.25Å; P450-T468 WeakPolarHBondContact CA-O 3.45Å; A451-T468 PolarHBondContact N-O 3.27Å; A451-T468 PolarHBondContact O-N 3.06Å; L466-T468 HydrophobicContact CD2-CG2 3.79Å; L466-T468 HydrophobicContact CG-CG2 3.97Å
469A98Very high76.7Confident1 Ų163 Ų631%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-153.3135.7172.800000111.5G329 I330 L443 F448 P450G329-A469 CarbonylContact C-O 3.27Å; G329-A469 VanDerWaalsContact CA-O 3.24Å; G329-A469 WeakPolarHBondContact CA-O 3.42Å; I330-A469 HydrophobicContact CB-CB 4.15Å; I330-A469 HydrophobicContact CD1-CB 4.49Å; I330-A469 HydrophobicContact CG1-CB 4.47Å; I330-A469 PolarHBondContact N-O 3Å; I330-A469 PolarHBondContact O-N 3.41Å; L443-A469 HydrophobicContact CD1-CB 4.13Å; L443-A469 HydrophobicContact CD2-CB 4.17Å; F448-A469 HydrophobicContact CB-CB 4.15Å; F448-A469 HydrophobicContact CD1-CB 4.15Å; F448-A469 HydrophobicContact CG-CB 4.48Å; P450-A469 HydrophobicContact CB-CB 3.89Å
470L97.1Very high74Confident48 Ų4862.8 Ų62.825%0.25137%0.366SS..EExtended strand (participates in β ladder)trans-119.6148.1172.1-64.3179.6000109.8L177 L179 F448 S449L177-L470 HydrophobicContact CB-CD2 4.43Å; L177-L470 HydrophobicContact CD2-CD1 3.95Å; L177-L470 HydrophobicContact CD2-CG 4.29Å; L179-L470 HydrophobicContact CD1-CD2 4.21Å; L179-L470 HydrophobicContact CD2-CD2 3.8Å; L179-L470 HydrophobicContact CG-CD2 4.21Å; F448-L470 CarbonylContact C-O 3.52Å; F448-L470 VanDerWaalsContact CA-O 3.26Å; F448-L470 WeakPolarHBondContact CA-O 3.18Å; F448-L470 WeakPolarHBondContact CB-O 3.38Å; F448-L470 VanDerWaalsContact CD1-C 3.48Å; S449-L470 PolarHBondContact N-O 2.88Å; S449-L470 PolarHBondContact O-N 3.43Å
471P94.6Very high71.4Confident15 Ų1569.9 Ų69.910%0.09743%0.427CS..EExtended strand (participates in β ladder)trans-57.6141.9172.3-22.832.8000111.4N325 V327 A328 F448 H473N325-P471 HydrophobicContact CB-CB 4.42Å; N325-P471 HydrophobicContact CB-CG 4.11Å; V327-P471 WeakPolarHBondContact O-CG 3.35Å; A328-P471 VanDerWaalsContact O-CD 3.25Å; A328-P471 WeakPolarHBondContact O-CD 3.38Å; F448-P471 HydrophobicContact CD1-CG 4.32Å; F448-P471 HydrophobicContact CE1-CB 4.47Å; F448-P471 HydrophobicContact CE1-CG 3.86Å; P471-H473 PolarHBondContact O-N 3.23Å
472N91.5Very high70.4Confident70 Ų7072.5 Ų72.537%0.37444%0.442SS..  trans-67116171.6-67.6-17.6000108.5G447 F448 S449 S474G447-N472 WeakPolarHBondContact O-CB 3.49Å; G447-N472 VanDerWaalsContact O-CG 3.23Å; G447-N472 PolarHBondContact O-N 3.35Å; G447-N472 PolarHBondContact O-ND2 3.3Å; F448-N472 PolarHBondContact O-OD1 2.95Å; S449-N472 WeakPolarHBondContact CB-OD1 3.15Å; S449-N472 PolarHBondContact N-OD1 2.94Å; S449-N472 PolarHBondContact OG-OD1 3.32Å; N472-S474 PolarHBondContact O-N 3.29Å
473H74.6Confident69.5Low156 Ų15673.3 Ų73.372%0.72245%0.45SS*.  trans-69.2119.1165.1-65.1-71.8000106.9P471 S475P471-H473 PolarHBondContact O-N 3.23Å; H473-S475 PolarHBondContact O-N 3.44Å
474S49.7Very low68.4Low87 Ų8775.4 Ų75.461%0.60847%0.466SS*.  trans-64.791.8167.449.50000107N472 S476N472-S474 PolarHBondContact O-N 3.29Å; S474-S476 PolarHBondContact O-N 3.31Å
475S38.7Very low66.9Low106 Ų10679.1 Ų79.174%0.74149%0.489SS*.PPolyproline II helixtrans-60.8120.6162.137.80000106.4H473H473-S475 PolarHBondContact O-N 3.44Å
476S31.1Very low65.1Low96 Ų9682.8 Ų82.867%0.67151%0.512SS*.PPolyproline II helixtrans-49.3139.9156.946.20000107.7S474 E478S474-S476 PolarHBondContact O-N 3.31Å; S476-E478 PolarHBondContact O-N 3.39Å
477P35.6Very low63Low116 Ų11688.3 Ų88.375%0.75355%0.546SS*.PPolyproline II helixtrans-53.8122.2176.622.9-30.9000107.7T479P477-T479 PolarHBondContact O-N 3.1Å
478E33.1Very low60.5Low181 Ų18194.6 Ų94.685%0.84659%0.585SS**  trans-57.2109.7171.2-77.1179.2159.600106.7S476 T480S476-E478 PolarHBondContact O-N 3.39Å; E478-T480 VanDerWaalsContact C-N 3.31Å; E478-T480 PolarHBondContact O-N 3.44Å
479T35.9Very low57.6Low135 Ų135101.3 Ų101.383%0.82863%0.626SS**  trans-63.299.8168.6-36.70000106P477 A481P477-T479 PolarHBondContact O-N 3.1Å; T479-A481 PolarHBondContact O-N 3.39Å
480T34.1Very low54.2Low136 Ų136109.7 Ų109.783%0.83468%0.678SS**  trans-59.2108.6165.744.90000107.3E478E478-T480 VanDerWaalsContact C-N 3.31Å; E478-T480 PolarHBondContact O-N 3.44Å
481A34.5Very low50.3Low170 Ų170115.3 Ų115.3100%1.40572%0.717SS**  trans-86.80165.700000109.7T479T479-A481 PolarHBondContact O-N 3.39Å

Retrieved 481 of 481 residues in 130.5 ms (Link to these results)

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