A0A096NUZ1_PAPAN Loading...

CCM2 like scaffold protein

AlphaFold DB , UniProt , Accession A0A096NUZ1, Species PAPAN (Papio anubis, Olive baboon), Gene CCM2L, Length 431 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
1M36.6Very low36.8Very low242 Ų242164.1 Ų164.1100%1.19283%0.829SS**  0126.40-81.3174.7160.500107.7
2E35.5Very low36.9Very low176 Ų176164.8 Ų164.882%0.82282%0.823SS**  trans-83.7147170.6-46.8109.7119.200111.1
3Y32.6Very low37Very low220 Ų220163.5 Ų163.586%0.86383%0.829SS**  -166.5132.9122.459.1-88.3000108.4
4E33Very low37.2Very low155 Ų155158.1 Ų158.172%0.72481%0.813SS**  cis77.296.646.4-83.9-75.693.200115.9
5V37.8Very low37.8Very low94 Ų94155.1 Ų155.157%0.5781%0.808SS**  102.3151.7114.1109.10000122.7
6K37.5Very low38.5Very low176 Ų176156.3 Ų156.377%0.76581%0.814SS**  trans7791161.7-77.8157.2-156.4153.30122
7K43.8Very low39.3Very low210 Ų210160.9 Ų160.991%0.91382%0.818SS**  31.8117.3115.7-66.1173.7178.71670119.2
8G35.5Very low40.2Very low81 Ų81164.8 Ų164.884%0.83582%0.821SS**  trans-117.2150.5144.700000110.6
9K39.7Very low40.3Very low196 Ų196163.6 Ų163.685%0.85282%0.817SS**  trans-129.6134.2-174.1-114.5-175.6-178.5179.20112.9
10K39.7Very low40.3Very low175 Ų175161 Ų16176%0.76181%0.809SS**  trans53.7102.5157.3-64.7-172.6172.6-169.90118.4
11G33.6Very low40.4Very low80 Ų80161.2 Ų161.283%0.82581%0.806SS**  -98.5137.2127.500000108.2
12F37.5Very low40.8Very low173 Ų173155.3 Ų155.376%0.75979%0.785SS**  trans-147.596.3-173.9-144.1-76.8000111.2
13V38.8Very low41.3Very low147 Ų147156.9 Ų156.989%0.89179%0.789SS**  trans-137134.8166.4-172.90000108.1
14S39.5Very low41.8Very low88 Ų88150.5 Ų150.562%0.61578%0.783SS**  trans-99.9-167.1-175.3-30.90000110.2
15P45.8Very low42.2Very low113 Ų113146.4 Ų146.473%0.73478%0.781SS**  cis-133.9137.6-25.430.6-11.8000113.3
16I49.8Very low42.9Very low175 Ų175153.8 Ų153.890%0.89780%0.799SS**  trans-124120.2153.4-61.9-176.7000108.5
17R51.5Low43.1Very low235 Ų235156.9 Ų156.989%0.88781%0.806SS**  trans-71.5137.4-177.7-75.5180170.5175-3.2110.4L19R17-L19 PolarHBondContact O-N 3.12Å; R17-L19 VanDerWaalsContact O-N 3.12Å
18R54.8Low42.9Very low231 Ų231151.7 Ų151.787%0.87280%0.802SS**  trans-58.9109.9171-76.3176.3173.1163.3-4.5110.8V20R18-V20 HydrophobicContact CB-CG2 4.17Å; R18-V20 HydrophobicContact CG-CG2 4.36Å
19L42.3Very low42.9Very low141 Ų141152 Ų15274%0.73880%0.797SS**  trans-95.571.7152.1-78.9172.3000108.8R17 F21R17-L19 PolarHBondContact O-N 3.12Å; R17-L19 VanDerWaalsContact O-N 3.12Å; L19-F21 VanDerWaalsContact C-N 3.34Å; L19-F21 HydrophobicContact CB-CE2 4.04Å; L19-F21 HydrophobicContact CB-CZ 4.44Å; L19-F21 PolarHBondContact O-N 3.13Å; L19-F21 VanDerWaalsContact O-N 3.13Å
20V41.7Very low42.6Very low111 Ų111148.2 Ų148.267%0.67379%0.794SS**  trans-7892.1166176.60000106.8R18 P22R18-V20 HydrophobicContact CB-CG2 4.17Å; R18-V20 HydrophobicContact CG-CG2 4.36Å; V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.29Å
21F42.3Very low42.9Very low166 Ų166151.7 Ų151.773%0.72880%0.802SS**  trans-61.3119.6168.6-66.4-83.1000108.6L19 K23L19-F21 VanDerWaalsContact C-N 3.34Å; L19-F21 HydrophobicContact CB-CE2 4.04Å; L19-F21 HydrophobicContact CB-CZ 4.44Å; L19-F21 PolarHBondContact O-N 3.13Å; L19-F21 VanDerWaalsContact O-N 3.13Å; F21-K23 PolarHBondContact O-N 3.21Å
22P43.3Very low43.4Very low118 Ų118152.1 Ų152.177%0.76679%0.793SS**  trans-61.2125.1173.7-2033000108.3V20 A24V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-A24 VanDerWaalsContact C-N 3.3Å; P22-A24 PolarHBondContact O-N 3.11Å
23K47.5Very low43.9Very low209 Ų209149.4 Ų149.491%0.90980%0.795SS**  trans-65.691.2179.2-176.2172.4-178.2172.70108.9F21 G25F21-K23 PolarHBondContact O-N 3.21Å; K23-G25 PolarHBondContact O-N 2.79Å; K23-G25 VanDerWaalsContact O-N 3.11Å
24A42Very low44.7Very low87 Ų87147.1 Ų147.172%0.71978%0.781SS**  trans-53.2119.3-176.100000109.8P22 R26P22-A24 VanDerWaalsContact C-N 3.3Å; P22-A24 PolarHBondContact O-N 3.11Å; A24-R26 PolarHBondContact O-N 3.29Å
25G41.5Very low45.7Very low68 Ų68148.6 Ų148.670%0.70179%0.791SS**  trans-57.3129.8173.500000108.6K23 R27K23-G25 PolarHBondContact O-N 2.79Å; K23-G25 VanDerWaalsContact O-N 3.11Å; G25-R27 PolarHBondContact O-N 2.75Å
26R51.8Low47.3Very low250 Ų250147.1 Ų147.194%0.94377%0.771SS**  trans-66.386.7175.9-73.3-165.7-77-156.1-1.4108.9A24 A28A24-R26 PolarHBondContact O-N 3.29Å; R26-A28 PolarHBondContact O-N 3.03Å
27R43Very low49.1Very low240 Ų240141.2 Ų141.291%0.90674%0.738SS**  trans-48.3128.1157.4-80.6-175.9169.5178.1-3.7106.3G25 A29G25-R27 PolarHBondContact O-N 2.75Å; R27-A29 PolarHBondContact O-N 3.28Å
28A40Very low50.9Low101 Ų101135.5 Ų135.584%0.83573%0.731SS**  trans-59.1115170.900000107.3R26 C30R26-A28 PolarHBondContact O-N 3.03Å; A28-C30 PolarHBondContact O-N 3.18Å
29A35.3Very low52.6Low87 Ų87126.1 Ų126.172%0.71970%0.698SS**  trans-60.5126.5170.300000107.2R27 R31R27-A29 PolarHBondContact O-N 3.28Å; A29-R31 PolarHBondContact O-N 3.28Å
30C33.9Very low54.9Low117 Ų117122.8 Ų122.879%0.79168%0.678SS**  trans-60.6123.9178.8-156.30000108.1A28 S32A28-C30 PolarHBondContact O-N 3.18Å; C30-S32 PolarHBondContact O-N 2.9Å
31R44.3Very low57.1Low249 Ų249120.8 Ų120.894%0.9467%0.669SS**SBendtrans-80.970.8-172.1-80.7-176.9162.2-171.6-5111.2A29A29-R31 PolarHBondContact O-N 3.28Å
32S45Very low59.3Low89 Ų89116 Ų11662%0.62265%0.65SS**  trans-124.121169.758.50000112.2C30 V34C30-S32 PolarHBondContact O-N 2.9Å; S32-V34 PolarHBondContact O-N 2.82Å
33S47.2Very low61.3Low115 Ų115114.9 Ų114.980%0.80464%0.643SS**  trans-76.953.8-179.267.30000113.3
34V56.7Low63.1Low100 Ų100106 Ų10661%0.60661%0.605SS**  trans-65127.7144.3178.90000105.3S32 R36S32-V34 PolarHBondContact O-N 2.82Å; V34-R36 PolarHBondContact O-N 2.84Å
35S60.3Low65.2Low119 Ų119110.1 Ų110.183%0.83260%0.603SS**  trans-74.776.7179.555.50000110.2R37S35-R37 PolarHBondContact O-N 3.15Å
36R79.6Confident66.9Low82 Ų82111.1 Ų111.131%0.30960%0.597SS.*PPolyproline II helixtrans-49.4128.8173.2-72.8173.9170.7-172-1109.2V34 D108 D124V34-R36 PolarHBondContact O-N 2.84Å; R36-D108 IonicContact CZ-OD2 2.7Å; R36-D108 IonicContact NH1-OD2 3.45Å; R36-D108 PolarHBondContact NH1-OD2 3.05Å; R36-D108 IonicContact NH2-OD2 3.56Å; R36-D108 PolarHBondContact NH2-OD2 3.43Å; R36-D108 VanDerWaalsContact NH2-OD2 3.13Å; R36-D124 IonicContact CZ-OD1 3.13Å; R36-D124 VanDerWaalsContact CZ-OD1 3.3Å; R36-D124 IonicContact CZ-OD2 3.39Å; R36-D124 IonicContact NE-OD1 3.3Å; R36-D124 PolarHBondContact NE-OD1 3.15Å; R36-D124 IonicContact NE-OD2 3.74Å; R36-D124 VanDerWaalsContact NH2-CG 3.25Å; R36-D124 IonicContact NH2-OD1 2.59Å; R36-D124 PolarHBondContact NH2-OD1 3.47Å; R36-D124 VanDerWaalsContact NH2-OD1 3.07Å; R36-D124 IonicContact NH2-OD2 2.71Å; R36-D124 PolarHBondContact NH2-OD2 3.34Å
37R87.9Confident67.9Low51 Ų51104.1 Ų104.119%0.19258%0.584CS.*PPolyproline II helixtrans-65.3156.2-178.566.7163.2179.690.37.3111.8S35 E62 R123 E126S35-R37 PolarHBondContact O-N 3.15Å; R37-E62 IonicContact CZ-OE1 3.02Å; R37-E62 IonicContact CZ-OE2 3.92Å; R37-E62 IonicContact NH1-OE1 3.98Å; R37-E62 IonicContact NH1-OE2 2.8Å; R37-E62 PolarHBondContact NH1-OE2 2.71Å; R37-E62 IonicContact NH2-OE1 2.73Å; R37-E62 PolarHBondContact NH2-OE1 2.82Å; R37-E62 IonicContact NH2-OE2 3.33Å; R37-E62 PolarHBondContact NH2-OE2 2.79Å; R37-R123 PolarHBondContact O-NH1 2.8Å; R37-R123 PolarHBondContact O-NH2 2.85Å; R37-E126 IonicContact CZ-OE1 3.15Å; R37-E126 IonicContact NE-OE1 2.66Å; R37-E126 PolarHBondContact NE-OE1 3.13Å; R37-E126 IonicContact NE-OE2 2.74Å; R37-E126 IonicContact NH2-OE1 2.71Å; R37-E126 PolarHBondContact NH2-OE1 2.59Å
38P88Confident69.4Low114 Ų11497.5 Ų97.574%0.7457%0.567SS**PPolyproline II helixtrans-54.6145.4165.4-23.334.4000111.7
39L90.6Very high71.4Confident35 Ų3593.3 Ų93.318%0.18353%0.529CS..PPolyproline II helixtrans-74.9145.9169.2-58.3-178.1000110.1S41 E62 E64 I110L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.38Å; L39-E62 WeakPolarHBondContact CA-OE2 3.23Å; L39-E62 HydrophobicContact CB-CB 4.01Å; L39-E62 HydrophobicContact CD2-CB 4.37Å; L39-E64 HydrophobicContact CD1-CB 3.88Å; L39-E64 HydrophobicContact CD1-CG 3.83Å; L39-E64 HydrophobicContact CD2-CG 4.39Å; L39-I110 HydrophobicContact CD2-CD1 3.82Å; L39-I110 HydrophobicContact CD2-CG1 3.86Å; L39-I110 HydrophobicContact CD2-CG2 4.02Å
40H90.2Very high73.8Confident70 Ų7095.3 Ų95.332%0.32453%0.527SS..  trans-74.382.5167.3-169.634.6000109.8D59 Y60 E62H40-D59 IonicContact CD2-OD1 3.12Å; H40-D59 IonicContact CD2-OD2 3.7Å; H40-D59 IonicContact CE1-OD2 2.72Å; H40-D59 VanDerWaalsContact NE2-CG 3.3Å; H40-D59 IonicContact NE2-OD1 3.57Å; H40-D59 PolarHBondContact NE2-OD1 3.47Å; H40-D59 IonicContact NE2-OD2 2.74Å; H40-D59 PolarHBondContact NE2-OD2 3.29Å; H40-Y60 HydrophobicContact CB-CE2 4.25Å; H40-Y60 AromaticContact CD2-CE2 3.97Å; H40-Y60 AromaticContact CD2-CZ 3.92Å; H40-Y60 PolarHBondContact CD2-O 3.21Å; H40-Y60 PolarHBondContact NE2-O 3.16Å; H40-E62 HydrophobicContact CB-CB 4.44Å; H40-E62 HydrophobicContact CB-CG 4.16Å; H40-E62 PolarHBondContact N-OE2 2.78Å; H40-E62 PolarHBondContact O-N 2.66Å
41S89.5Confident76.4Confident69 Ų6990.4 Ų90.448%0.48349%0.493SS..  trans-131.2145.4-173.462.40000112.7L39 E62L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.38Å; S41-E62 WeakPolarHBondContact CB-O 3.45Å
42M87.1Confident78.3Confident67 Ų6783 Ų8333%0.3347%0.472SS..  trans-112.2140.9177.9-169.117071.500109.4L44 I51 I55 L61M42-L44 HydrophobicContact CB-CD2 4.5Å; M42-L44 HydrophobicContact CE-CD2 3.64Å; M42-L44 HydrophobicContact CG-CD2 4.48Å; M42-L44 PolarHBondContact O-N 2.77Å; M42-I51 HydrophobicContact CE-CB 4.45Å; M42-I51 HydrophobicContact CE-CD1 3.72Å; M42-I51 HydrophobicContact CE-CG1 3.74Å; M42-I51 HydrophobicContact CE-CG2 4.43Å; M42-I55 HydrophobicContact CE-CD1 3.93Å; M42-I55 HydrophobicContact SD-CD1 3.95Å; M42-L61 HydrophobicContact CB-CD2 4.19Å
43P85.6Confident80.3Confident94 Ų9481.5 Ų81.561%0.6146%0.46SS*.  trans-74.2117.417728.9-33.9000110.9
44L86.4Confident82Confident21 Ų2181.3 Ų81.311%0.1145%0.447CS..  trans-106.5157.3176.2-48.1-177.5000110.6M42 Y49 I51 E314 L318M42-L44 HydrophobicContact CB-CD2 4.5Å; M42-L44 HydrophobicContact CE-CD2 3.64Å; M42-L44 HydrophobicContact CG-CD2 4.48Å; M42-L44 PolarHBondContact O-N 2.77Å; L44-Y49 HydrophobicContact CB-CD1 4.01Å; L44-I51 HydrophobicContact CD1-CD1 3.75Å; L44-I51 HydrophobicContact CD1-CG1 3.88Å; L44-I51 HydrophobicContact CD2-CD1 3.68Å; L44-I51 HydrophobicContact CD2-CG1 3.5Å; L44-I51 VanDerWaalsContact CD2-CG1 3.5Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; L44-I51 HydrophobicContact CG-CG1 4.36Å; L44-E314 HydrophobicContact CB-CG 4.43Å; L44-E314 WeakPolarHBondContact CB-OE1 3.39Å; L44-E314 HydrophobicContact CD1-CG 3.86Å; L44-E314 WeakPolarHBondContact CD1-OE1 3.42Å; L44-E314 WeakPolarHBondContact CG-OE1 3.44Å; L44-L318 HydrophobicContact CD1-CD1 4Å; L44-L318 HydrophobicContact CD1-CD2 3.7Å; L44-L318 HydrophobicContact CD1-CG 4.06Å
45Y84.7Confident83.5Confident175 Ų17578.8 Ų78.869%0.68643%0.429SS*.  trans-125137.6-175.1-61.9-80.7000111.2Y49Y45-Y49 WeakPolarHBondContact O-CA 3.29Å; Y45-Y49 PolarHBondContact O-N 3.07Å
46P78.6Confident84.8Confident88 Ų8873.1 Ų73.157%0.57139%0.39SS*.THydrogen-bonded Turntrans-62.9159.4172.5-15.627.1000112Y49P46-Y49 HydrophobicContact CB-CE1 4.28Å; P46-Y49 HydrophobicContact CB-CE2 4.46Å; P46-Y49 HydrophobicContact CG-CE1 3.79Å
47P73.1Confident85.2Confident104 Ų10472 Ų7268%0.67539%0.39SS*.THydrogen-bonded Turncis-85.7-274.831.4-31.4000114.1Y49P47-Y49 VanDerWaalsContact O-CD2 3.31Å; P47-Y49 WeakPolarHBondContact O-CD2 3.48Å; P47-Y49 WeakPolarHBondContact O-CE2 3.48Å
48D72.7Confident85Confident100 Ų10074.6 Ų74.654%0.53542%0.415SS..THydrogen-bonded Turntrans-95.6-11.3-164.2-51.7-54.2000114L50D48-L50 VanDerWaalsContact C-N 3.25Å; D48-L50 HydrophobicContact CB-CD1 4.43Å; D48-L50 HydrophobicContact CB-CD2 3.81Å; D48-L50 HydrophobicContact CB-CG 3.8Å; D48-L50 PolarHBondContact O-N 2.74Å
49Y83.6Confident85.2Confident14 Ų1472.1 Ų72.16%0.05540%0.395CS..  trans47.644.1179.3-54.3-85.3000113.7L44 Y45 P46 P47 D310 E313 E314 A317 Q321L44-Y49 HydrophobicContact CB-CD1 4.01Å; Y45-Y49 WeakPolarHBondContact O-CA 3.29Å; Y45-Y49 PolarHBondContact O-N 3.07Å; P46-Y49 HydrophobicContact CB-CE1 4.28Å; P46-Y49 HydrophobicContact CB-CE2 4.46Å; P46-Y49 HydrophobicContact CG-CE1 3.79Å; P47-Y49 VanDerWaalsContact O-CD2 3.31Å; P47-Y49 WeakPolarHBondContact O-CD2 3.48Å; P47-Y49 WeakPolarHBondContact O-CE2 3.48Å; Y49-D310 PolarHBondContact OH-O 3.23Å; Y49-E313 HydrophobicContact CE2-CB 4.04Å; Y49-E314 HydrophobicContact CD1-CB 3.82Å; Y49-E314 HydrophobicContact CD1-CG 3.74Å; Y49-E314 HydrophobicContact CD2-CB 4.5Å; Y49-E314 HydrophobicContact CE1-CB 3.87Å; Y49-E314 HydrophobicContact CE1-CG 4.23Å; Y49-E314 HydrophobicContact CG-CB 4.13Å; Y49-E314 HydrophobicContact CG-CG 4.11Å; Y49-A317 HydrophobicContact CD2-CB 3.91Å; Y49-A317 HydrophobicContact CG-CB 4.34Å; Y49-Q321 PolarHBondContact O-NE2 3.43Å
50L84.9Confident85.2Confident128 Ų12872.6 Ų72.667%0.6740%0.395SS*.  trans-66141.8-172-60.4178.4000113.3D48D48-L50 VanDerWaalsContact C-N 3.25Å; D48-L50 HydrophobicContact CB-CD1 4.43Å; D48-L50 HydrophobicContact CB-CD2 3.81Å; D48-L50 HydrophobicContact CB-CG 3.8Å; D48-L50 PolarHBondContact O-N 2.74Å
51I87.8Confident85.3Confident15 Ų1569.7 Ų69.78%0.07738%0.381CS..  trans-128.8148.8174.5-73-155.7000110.2M42 L44 P53 I55 L56 L61 L318M42-I51 HydrophobicContact CE-CB 4.45Å; M42-I51 HydrophobicContact CE-CD1 3.72Å; M42-I51 HydrophobicContact CE-CG1 3.74Å; M42-I51 HydrophobicContact CE-CG2 4.43Å; L44-I51 HydrophobicContact CD1-CD1 3.75Å; L44-I51 HydrophobicContact CD1-CG1 3.88Å; L44-I51 HydrophobicContact CD2-CD1 3.68Å; L44-I51 HydrophobicContact CD2-CG1 3.5Å; L44-I51 VanDerWaalsContact CD2-CG1 3.5Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; L44-I51 HydrophobicContact CG-CG1 4.36Å; I51-P53 VanDerWaalsContact O-CD 3.3Å; I51-P53 WeakPolarHBondContact O-CD 3.46Å; I51-I55 HydrophobicContact CG2-CB 4.09Å; I51-I55 HydrophobicContact CG2-CD1 4.37Å; I51-L56 HydrophobicContact CG2-CD1 4.16Å; I51-L56 HydrophobicContact CG2-CG 4.09Å; I51-L61 HydrophobicContact CD1-CD1 3.13Å; I51-L318 HydrophobicContact CB-CD2 4.44Å; I51-L318 HydrophobicContact CD1-CD2 3.38Å; I51-L318 HydrophobicContact CG1-CD2 3.77Å
52D85.9Confident85.6Confident92 Ų9266.4 Ų66.449%0.49236%0.358SS..  trans-63.5117.3165.3176.7-2.9000109.9Q54 I55D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.44Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; D52-I55 HydrophobicContact CB-CD1 4.14Å; D52-I55 HydrophobicContact CB-CG1 4.24Å; D52-I55 WeakPolarHBondContact O-CB 3.39Å; D52-I55 PolarHBondContact O-N 3.39Å
53P85.4Confident85.9Confident59 Ų5964.5 Ų64.538%0.38335%0.348SS..Hα-helixtrans-50.3-28.4179.1-3138.6000115I51 I55 L56 L57 I325I51-P53 VanDerWaalsContact O-CD 3.3Å; I51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-I55 PolarHBondContact O-N 3.23Å; P53-L56 PolarHBondContact O-N 3.33Å; P53-L56 VanDerWaalsContact O-N 3.13Å; P53-L57 WeakPolarHBondContact O-CG 3.19Å; P53-L57 PolarHBondContact O-N 3.42Å; P53-L57 VanDerWaalsContact O-N 3.1Å; P53-I325 HydrophobicContact CB-CD1 3.73Å; P53-I325 HydrophobicContact CB-CG1 4.04Å; P53-I325 HydrophobicContact CG-CD1 4.4Å
54Q84.4Confident86.3Confident110 Ų11064.9 Ų64.951%0.51434%0.342SS..Hα-helixtrans-61.7-32.2177.5-59.4-55.9-38.500112.5D52 L56 L57 C58D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.44Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; Q54-L57 PolarHBondContact O-N 3.38Å; Q54-C58 WeakPolarHBondContact O-CB 3.32Å; Q54-C58 PolarHBondContact O-N 3.41Å
55I87.4Confident86.7Confident47 Ų4764.2 Ų64.224%0.24134%0.339CS..Hα-helixtrans-64.9-40.9175.9-59.8174.7000110.2M42 I51 D52 P53 L57 D59 L61M42-I55 HydrophobicContact CE-CD1 3.93Å; M42-I55 HydrophobicContact SD-CD1 3.95Å; I51-I55 HydrophobicContact CG2-CB 4.09Å; I51-I55 HydrophobicContact CG2-CD1 4.37Å; D52-I55 HydrophobicContact CB-CD1 4.14Å; D52-I55 HydrophobicContact CB-CG1 4.24Å; D52-I55 WeakPolarHBondContact O-CB 3.39Å; D52-I55 PolarHBondContact O-N 3.39Å; P53-I55 PolarHBondContact O-N 3.23Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-D59 HydrophobicContact CG2-CB 4.47Å; I55-D59 CarbonylContact O-C 3.56Å; I55-D59 VanDerWaalsContact O-CA 3.27Å; I55-D59 WeakPolarHBondContact O-CA 3.19Å; I55-D59 VanDerWaalsContact O-CB 3.32Å; I55-D59 WeakPolarHBondContact O-CB 3.41Å; I55-D59 PolarHBondContact O-N 3.46Å; I55-L61 HydrophobicContact CG2-CD1 4.19Å; I55-L61 HydrophobicContact CG2-CD2 4.42Å; I55-L61 HydrophobicContact CG2-CG 4.28Å
56L86.8Confident87.2Confident1 Ų158.5 Ų58.51%0.00532%0.317CS..Hα-helixtrans-75.4-22.5179.6-66.6168.1000113.1I51 P53 Q54 L61 A115 Q321 V322 I325I51-L56 HydrophobicContact CG2-CD1 4.16Å; I51-L56 HydrophobicContact CG2-CG 4.09Å; P53-L56 PolarHBondContact O-N 3.33Å; P53-L56 VanDerWaalsContact O-N 3.13Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; L56-A115 WeakPolarHBondContact O-CB 3.42Å; L56-A115 PolarHBondContact O-N 3.46Å; L56-Q321 HydrophobicContact CD1-CB 4.3Å; L56-V322 HydrophobicContact CD1-CG2 4.01Å; L56-V322 HydrophobicContact CD2-CG2 4.08Å; L56-V322 HydrophobicContact CG-CG2 4.44Å; L56-I325 HydrophobicContact CB-CD1 4.03Å; L56-I325 HydrophobicContact CD1-CD1 3.81Å
57L87.9Confident87.9Confident58 Ų5855.6 Ų55.630%0.30430%0.296SS..Hα-helixtrans-86.5-42.7178.6-72.9166.7000113.2P53 Q54 I55 A115 R116 I325P53-L57 WeakPolarHBondContact O-CG 3.19Å; P53-L57 PolarHBondContact O-N 3.42Å; P53-L57 VanDerWaalsContact O-N 3.1Å; Q54-L57 PolarHBondContact O-N 3.38Å; I55-L57 VanDerWaalsContact C-N 3.34Å; L57-A115 HydrophobicContact CD2-CB 4.01Å; L57-R116 PolarHBondContact O-NH1 2.82Å; L57-R116 PolarHBondContact O-NH2 3.34Å; L57-R116 VanDerWaalsContact O-NH2 3.15Å; L57-I325 HydrophobicContact CD1-CG2 4.36Å; L57-I325 HydrophobicContact CD2-CG2 3.71Å; L57-I325 HydrophobicContact CG-CG2 4.08Å
58C85Confident88.9Confident106 Ų10651.4 Ų51.472%0.71627%0.268SS*.Hα-helixtrans-98.8-22.9-174.3-66.30000113.9Q54Q54-C58 WeakPolarHBondContact O-CB 3.32Å; Q54-C58 PolarHBondContact O-N 3.41Å
59D90.6Very high89.8Confident62 Ų6247 Ų4733%0.33225%0.246SC..SBendtrans-131.6-165-175.8-159.4-1.4000110.6H40 I55H40-D59 IonicContact CD2-OD1 3.12Å; H40-D59 IonicContact CD2-OD2 3.7Å; H40-D59 IonicContact CE1-OD2 2.72Å; H40-D59 VanDerWaalsContact NE2-CG 3.3Å; H40-D59 IonicContact NE2-OD1 3.57Å; H40-D59 PolarHBondContact NE2-OD1 3.47Å; H40-D59 IonicContact NE2-OD2 2.74Å; H40-D59 PolarHBondContact NE2-OD2 3.29Å; I55-D59 HydrophobicContact CG2-CB 4.47Å; I55-D59 CarbonylContact O-C 3.56Å; I55-D59 VanDerWaalsContact O-CA 3.27Å; I55-D59 WeakPolarHBondContact O-CA 3.19Å; I55-D59 VanDerWaalsContact O-CB 3.32Å; I55-D59 WeakPolarHBondContact O-CB 3.41Å; I55-D59 PolarHBondContact O-N 3.46Å
60Y91.2Very high90.1Very high45 Ų4548 Ų4818%0.17625%0.251CS..  trans-140.5163.9177.860-74.2000110.7H40 E62 S112 L113 W350H40-Y60 HydrophobicContact CB-CE2 4.25Å; H40-Y60 AromaticContact CD2-CE2 3.97Å; H40-Y60 AromaticContact CD2-CZ 3.92Å; H40-Y60 PolarHBondContact CD2-O 3.21Å; H40-Y60 PolarHBondContact NE2-O 3.16Å; Y60-E62 HydrophobicContact CD2-CG 4Å; Y60-E62 HydrophobicContact CE2-CG 4.01Å; Y60-S112 WeakPolarHBondContact CD2-OG 3.34Å; Y60-L113 CarbonylContact C-O 3.2Å; Y60-L113 VanDerWaalsContact CA-O 3.25Å; Y60-L113 WeakPolarHBondContact CA-O 3.34Å; Y60-L113 WeakPolarHBondContact CB-O 3.4Å; Y60-W350 PolarHBondContact OH-NE1 3.49Å
61L93.6Very high90.4Very high8 Ų842.4 Ų42.44%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-133.5131.5177.7-71.1167000111.6M42 I51 I55 L56 S112 L113M42-L61 HydrophobicContact CB-CD2 4.19Å; I51-L61 HydrophobicContact CD1-CD1 3.13Å; I55-L61 HydrophobicContact CG2-CD1 4.19Å; I55-L61 HydrophobicContact CG2-CD2 4.42Å; I55-L61 HydrophobicContact CG2-CG 4.28Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; L61-S112 CarbonylContact O-C 3.55Å; L61-S112 WeakPolarHBondContact O-CA 3.17Å; L61-L113 PolarHBondContact N-O 3.5Å; L61-L113 PolarHBondContact O-N 3.02Å
62E95.1Very high90.5Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-104.2130.9-173.5-69.4-175.7145.900112.2R37 L39 H40 S41 Y60 I110 L111R37-E62 IonicContact CZ-OE1 3.02Å; R37-E62 IonicContact CZ-OE2 3.92Å; R37-E62 IonicContact NH1-OE1 3.98Å; R37-E62 IonicContact NH1-OE2 2.8Å; R37-E62 PolarHBondContact NH1-OE2 2.71Å; R37-E62 IonicContact NH2-OE1 2.73Å; R37-E62 PolarHBondContact NH2-OE1 2.82Å; R37-E62 IonicContact NH2-OE2 3.33Å; R37-E62 PolarHBondContact NH2-OE2 2.79Å; L39-E62 WeakPolarHBondContact CA-OE2 3.23Å; L39-E62 HydrophobicContact CB-CB 4.01Å; L39-E62 HydrophobicContact CD2-CB 4.37Å; H40-E62 HydrophobicContact CB-CB 4.44Å; H40-E62 HydrophobicContact CB-CG 4.16Å; H40-E62 PolarHBondContact N-OE2 2.78Å; H40-E62 PolarHBondContact O-N 2.66Å; S41-E62 WeakPolarHBondContact CB-O 3.45Å; Y60-E62 HydrophobicContact CD2-CG 4Å; Y60-E62 HydrophobicContact CE2-CG 4.01Å; E62-I110 HydrophobicContact CB-CG2 3.63Å; E62-I110 HydrophobicContact CG-CG2 3.71Å; E62-L111 WeakPolarHBondContact CA-O 3.23Å
63K93.7Very high90.3Very high28 Ų2848.9 Ų48.912%0.12225%0.246CC..EExtended strand (participates in β ladder)trans-123.4139.1172.7-63.3-65.2178.8174.70110.4I110 L111 E314K63-I110 WeakPolarHBondContact O-CA 3.23Å; K63-L111 PolarHBondContact N-O 2.77Å; K63-L111 PolarHBondContact O-N 2.93Å; K63-E314 WeakPolarHBondContact CE-OE2 3.27Å; K63-E314 IonicContact NZ-OE1 2.68Å; K63-E314 PolarHBondContact NZ-OE1 3.34Å; K63-E314 IonicContact NZ-OE2 3.68Å; K63-E314 PolarHBondContact NZ-OE2 3.1Å
64E93.1Very high90.4Very high101 Ų10146.7 Ų46.747%0.47223%0.231SC..EExtended strand (participates in β ladder)trans-78.1121.6172.8-111.1161.4-14800109.6L39 R123L39-E64 HydrophobicContact CD1-CB 3.88Å; L39-E64 HydrophobicContact CD1-CG 3.83Å; L39-E64 HydrophobicContact CD2-CG 4.39Å; E64-R123 IonicContact OE1-CZ 2.8Å; E64-R123 IonicContact OE1-NE 2.78Å; E64-R123 PolarHBondContact OE1-NE 2.8Å; E64-R123 IonicContact OE1-NH2 2.65Å; E64-R123 PolarHBondContact OE1-NH2 3.11Å
65V94.9Very high90.4Very high7 Ų744.8 Ų44.84%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-132.8-179.8177.7-60.10000108.9S109 L111 L120 L304 A305 V306V65-S109 PolarHBondContact N-O 2.82Å; V65-S109 PolarHBondContact O-N 3.13Å; V65-L111 HydrophobicContact CG1-CB 4.09Å; V65-L111 HydrophobicContact CG1-CD2 4.42Å; V65-L111 HydrophobicContact CG2-CB 3.86Å; V65-L120 HydrophobicContact CG2-CD1 3.82Å; V65-L304 HydrophobicContact CG2-CD1 4.42Å; V65-L304 HydrophobicContact CG2-CD2 4.33Å; V65-A305 CarbonylContact C-O 3.51Å; V65-A305 WeakPolarHBondContact CA-O 3.19Å; V65-V306 HydrophobicContact CG1-CG2 4.38Å
66K94.8Very high90.2Very high55 Ų5544.6 Ų44.624%0.23923%0.23CC..EExtended strand (participates in β ladder)trans-124.2129167.7-63176.7-179.9-73.30109.5L68 T103 T104 Q107 D108 L304 A305K66-L68 HydrophobicContact CB-CD2 4.43Å; K66-L68 PolarHBondContact O-N 3.47Å; K66-T103 HydrophobicContact CD-CG2 4.18Å; K66-T104 PolarHBondContact NZ-O 3.49Å; K66-Q107 CarbonylContact C-O 3.57Å; K66-Q107 WeakPolarHBondContact CA-O 2.98Å; K66-Q107 HydrophobicContact CB-CB 4.32Å; K66-D108 IonicContact NZ-OD1 3.31Å; K66-D108 PolarHBondContact NZ-OD1 3.33Å; K66-L304 CarbonylContact O-C 3.59Å; K66-L304 WeakPolarHBondContact O-CA 3.38Å; K66-A305 HydrophobicContact CB-CB 4.3Å; K66-A305 PolarHBondContact N-O 2.76Å; K66-A305 PolarHBondContact O-N 2.95Å
67F94.9Very high90Very high28 Ų2849.4 Ų49.412%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-80117.9173.9-178.5-126.6000109.3G69 H70 Q107 S109 L120 W122 I129 L130 V302 L304F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; F67-H70 HydrophobicContact CE2-CB 4.34Å; F67-H70 HydrophobicContact CZ-CB 4.02Å; F67-Q107 PolarHBondContact N-O 3.23Å; F67-S109 PolarHBondContact N-OG 2.87Å; F67-L120 HydrophobicContact CB-CD2 4.02Å; F67-L120 HydrophobicContact CD2-CD2 3.44Å; F67-L120 VanDerWaalsContact CD2-CD2 3.44Å; F67-L120 HydrophobicContact CE2-CD2 4.04Å; F67-L120 HydrophobicContact CG-CD2 3.81Å; F67-W122 HydrophobicContact CB-CH2 4.41Å; F67-W122 HydrophobicContact CB-CZ3 4.25Å; F67-W122 AromaticContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CZ2 4.34Å; F67-W122 HydrophobicContact CD1-CZ3 4.47Å; F67-I129 HydrophobicContact CB-CD1 4.34Å; F67-I129 HydrophobicContact CD1-CD1 4.25Å; F67-I129 HydrophobicContact CD1-CG2 4.05Å; F67-I129 HydrophobicContact CE1-CG2 3.79Å; F67-I129 HydrophobicContact CG-CD1 4.43Å; F67-I129 HydrophobicContact CZ-CG2 4.29Å; F67-L130 HydrophobicContact CE2-CD1 3.65Å; F67-L130 HydrophobicContact CZ-CD1 3.89Å; F67-V302 HydrophobicContact CE2-CG1 4.28Å; F67-L304 HydrophobicContact CD2-CD2 4.02Å
68L92.6Very high89.8Confident15 Ų1547.3 Ų47.38%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-93.3-37175.6-54-165.7000111.4K66 L99 P100 T103 L150 I303 A305K66-L68 HydrophobicContact CB-CD2 4.43Å; K66-L68 PolarHBondContact O-N 3.47Å; L68-L99 HydrophobicContact CB-CD2 4.39Å; L68-P100 HydrophobicContact CB-CG 4.08Å; L68-P100 HydrophobicContact CD2-CG 4.23Å; L68-P100 WeakPolarHBondContact O-CD 3.42Å; L68-T103 HydrophobicContact CD2-CG2 3.96Å; L68-L150 HydrophobicContact CD1-CD2 3.73Å; L68-I303 HydrophobicContact CB-CB 4.33Å; L68-I303 HydrophobicContact CB-CG2 4.11Å; L68-I303 HydrophobicContact CD1-CG2 4.12Å; L68-I303 HydrophobicContact CG-CG2 4.44Å; L68-I303 PolarHBondContact N-O 2.86Å; L68-A305 HydrophobicContact CD1-CB 4.14Å; L68-A305 HydrophobicContact CD2-CB 4.08Å; L68-A305 HydrophobicContact CG-CB 4.19Å
69G91.3Very high89.7Confident8 Ų845.5 Ų45.58%0.08224%0.236CC..EExtended strand (participates in β ladder)trans165.3178.7175.900000113.4F67 I303F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; G69-I303 PolarHBondContact N-O 2.87Å; G69-I303 PolarHBondContact O-N 3.47Å
70H91.1Very high89.3Confident35 Ų3543.6 Ų43.616%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-127.1112.7178.6176.1-129.1000107.9F67 L130 V159 N300F67-H70 HydrophobicContact CE2-CB 4.34Å; F67-H70 HydrophobicContact CZ-CB 4.02Å; H70-L130 HydrophobicContact CB-CD1 4.49Å; H70-V159 PolarHBondContact CE1-O 3.45Å; H70-V159 PolarHBondContact NE2-O 2.95Å; H70-N300 PolarHBondContact CE1-ND2 3.42Å; H70-N300 WeakPolarHBondContact NE2-CB 3.3Å; H70-N300 PolarHBondContact NE2-ND2 2.71Å
71L90.8Very high89Confident11 Ų1143.6 Ų43.66%0.05823%0.234CC..EExtended strand (participates in β ladder)trans-95.9117.7179.8-57.6-178.2000109V74 L89 A93 E98 L99 N300 L301 I303L71-V74 HydrophobicContact CB-CG2 4.06Å; L71-L89 HydrophobicContact CD1-CD2 3.45Å; L71-L89 VanDerWaalsContact CD1-CD2 3.45Å; L71-A93 HydrophobicContact CD1-CB 3.82Å; L71-A93 HydrophobicContact CD2-CB 3.85Å; L71-E98 HydrophobicContact CD2-CB 4.21Å; L71-L99 HydrophobicContact CD1-CD1 4.13Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CD2-CG 4.11Å; L71-N300 CarbonylContact O-C 3.59Å; L71-N300 VanDerWaalsContact O-CA 3.31Å; L71-N300 WeakPolarHBondContact O-CA 3.19Å; L71-L301 HydrophobicContact CB-CB 4.36Å; L71-L301 PolarHBondContact N-O 2.74Å; L71-L301 PolarHBondContact O-N 3.25Å; L71-I303 HydrophobicContact CD1-CG1 4.35Å; L71-I303 HydrophobicContact CG-CG1 4.34Å
72T89.4Confident88.7Confident64 Ų6444.5 Ų44.539%0.39324%0.241SC..EExtended strand (participates in β ladder)trans-96.3167.8175.954.40000110.9V74 N300T72-V74 PolarHBondContact O-N 2.91Å; T72-V74 VanDerWaalsContact O-N 3.15Å; T72-N300 WeakPolarHBondContact CA-OD1 3.2Å
73W83.3Confident88.3Confident179 Ų17946.9 Ų46.968%0.67825%0.25SC*.EExtended strand (participates in β ladder)trans59.424.9176.4-50.1102.2000115.3Y298W73-Y298 HydrophobicContact CB-CD1 4.49Å; W73-Y298 HydrophobicContact CE3-CD2 4.23Å; W73-Y298 HydrophobicContact CE3-CG 4.15Å; W73-Y298 WeakPolarHBondContact O-CD1 3.29Å
74V86.6Confident88.2Confident12 Ų1250.8 Ų50.87%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-74.5136.4172.9173.60000109.1L71 T72 S76 L78 L89 Y298 C299 L301L71-V74 HydrophobicContact CB-CG2 4.06Å; T72-V74 PolarHBondContact O-N 2.91Å; T72-V74 VanDerWaalsContact O-N 3.15Å; V74-S76 PolarHBondContact O-N 3.48Å; V74-L78 HydrophobicContact CG1-CB 4.32Å; V74-L78 HydrophobicContact CG1-CD2 3.52Å; V74-L89 HydrophobicContact CB-CD1 4.43Å; V74-L89 HydrophobicContact CG1-CD1 3.59Å; V74-L89 HydrophobicContact CG2-CD1 4.08Å; V74-L89 HydrophobicContact CG2-CD2 4.41Å; V74-Y298 CarbonylContact O-C 3.48Å; V74-Y298 VanDerWaalsContact O-CA 3.32Å; V74-Y298 WeakPolarHBondContact O-CA 3.32Å; V74-C299 WeakPolarHBondContact CB-O 3.46Å; V74-C299 PolarHBondContact N-O 2.92Å; V74-C299 PolarHBondContact O-N 3.27Å; V74-C299 PolarHBondContact O-SG 3.11Å; V74-L301 HydrophobicContact CB-CG 4.32Å; V74-L301 HydrophobicContact CG1-CD1 4.04Å; V74-L301 HydrophobicContact CG1-CG 4.15Å; V74-L301 HydrophobicContact CG2-CD1 4.12Å; V74-L301 HydrophobicContact CG2-CG 4.08Å
75T84.6Confident88Confident71 Ų7149.8 Ų49.844%0.43627%0.267SS..EExtended strand (participates in β ladder)trans-60125.7-178.351.30000111.6S77 L78T75-S77 PolarHBondContact O-N 2.87Å; T75-S77 VanDerWaalsContact O-N 3.11Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 PolarHBondContact O-N 3.07Å
76S82Confident87.8Confident43 Ų4349.7 Ų49.730%0.30127%0.266SS..THydrogen-bonded Turntrans-62.9-21.5-17668.40000113.7V74 L78 K154 D296 A297V74-S76 PolarHBondContact O-N 3.48Å; S76-L78 PolarHBondContact O-N 3.08Å; S76-K154 PolarHBondContact O-NZ 3.49Å; S76-D296 WeakPolarHBondContact CB-O 3.35Å; S76-D296 PolarHBondContact OG-O 2.89Å; S76-A297 PolarHBondContact N-O 2.96Å; S76-A297 VanDerWaalsContact OG-C 3.26Å; S76-A297 WeakPolarHBondContact OG-CA 3.48Å; S76-A297 PolarHBondContact OG-O 3.35Å
77S83.1Confident87.6Confident102 Ų10247.9 Ų47.971%0.71326%0.259SS*.THydrogen-bonded Turntrans-67.2-14.7171.454.20000114.7T75 N79T75-S77 PolarHBondContact O-N 2.87Å; T75-S77 VanDerWaalsContact O-N 3.11Å; S77-N79 PolarHBondContact O-N 3.46Å
78L84.6Confident87.5Confident13 Ų1353.6 Ų53.67%0.06829%0.286CS..  trans-53.8125.6177.9176.469.6000110.6V74 T75 S76 P80 E85 L86 L89 K154 L301V74-L78 HydrophobicContact CG1-CB 4.32Å; V74-L78 HydrophobicContact CG1-CD2 3.52Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 PolarHBondContact O-N 3.07Å; S76-L78 PolarHBondContact O-N 3.08Å; L78-P80 VanDerWaalsContact O-CD 3.29Å; L78-P80 WeakPolarHBondContact O-CD 3.25Å; L78-E85 HydrophobicContact CD1-CB 3.7Å; L78-L86 HydrophobicContact CD2-CD2 3.95Å; L78-L89 HydrophobicContact CD2-CD1 4.03Å; L78-K154 PolarHBondContact O-NZ 3.33Å; L78-L301 HydrophobicContact CD2-CD1 3.83Å; L78-L301 HydrophobicContact CD2-CD2 4.33Å
79N82.3Confident87.4Confident68 Ų6854.8 Ų54.836%0.36429%0.293SS..  trans-81.9111.5-176.4-178.22.9000110.5S77 S81 S82 E85S77-N79 PolarHBondContact O-N 3.46Å; N79-S81 PolarHBondContact O-N 3.04Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 WeakPolarHBondContact OD1-CB 3.37Å; N79-S81 PolarHBondContact OD1-N 3.39Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; N79-S82 WeakPolarHBondContact O-CB 3.42Å; N79-S82 PolarHBondContact O-N 2.84Å; N79-E85 WeakPolarHBondContact CB-OE2 3.27Å; N79-E85 PolarHBondContact N-OE2 2.93Å; N79-E85 VanDerWaalsContact N-OE2 3.1Å
80P82.6Confident87.4Confident23 Ų2354.6 Ų54.615%0.14929%0.29CS..THydrogen-bonded Turntrans-65-16.1179.730.1-36.1000112.6L78 L86 A139 S141 K154 H196L78-P80 VanDerWaalsContact O-CD 3.29Å; L78-P80 WeakPolarHBondContact O-CD 3.25Å; P80-L86 WeakPolarHBondContact O-CD1 3.47Å; P80-A139 HydrophobicContact CB-CB 3.52Å; P80-A139 HydrophobicContact CG-CB 3.61Å; P80-S141 WeakPolarHBondContact O-CB 3.31Å; P80-S141 PolarHBondContact O-OG 3.39Å; P80-K154 HydrophobicContact CB-CD 4.34Å; P80-K154 HydrophobicContact CG-CD 4.45Å; P80-H196 PolarHBondContact O-CE1 3.27Å
81S85.1Confident87.4Confident45 Ų4556.1 Ų56.132%0.31530%0.299SS..THydrogen-bonded Turntrans-80.6-15.9174.2-54.50000113.4N79 R83 H196 I198N79-S81 PolarHBondContact O-N 3.04Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 WeakPolarHBondContact OD1-CB 3.37Å; N79-S81 PolarHBondContact OD1-N 3.39Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; S81-R83 PolarHBondContact O-N 2.93Å; S81-H196 PolarHBondContact O-CE1 2.94Å; S81-H196 PolarHBondContact O-ND1 3.43Å; S81-I198 VanDerWaalsContact CB-CD1 3.5Å
82S86.6Confident87.4Confident27 Ų2758.7 Ų58.719%0.18932%0.315CS..  trans-93.897.9-170.9-168.80000111.7N79 D84 E85 L86N79-S82 WeakPolarHBondContact O-CB 3.42Å; N79-S82 PolarHBondContact O-N 2.84Å; S82-D84 VanDerWaalsContact C-N 3.26Å; S82-D84 PolarHBondContact O-N 3.19Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-OE1 2.91Å; S82-L86 WeakPolarHBondContact O-CD1 3.32Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.45Å; S82-L86 VanDerWaalsContact O-N 3.17Å
83R87.8Confident87.4Confident49 Ų4955.9 Ų55.919%0.18530%0.298CS..Hα-helixtrans-53.6-42.1179.6174.7176.3178.8-78.5-4.8112.6S81 L86 L87 L143 Q144S81-R83 PolarHBondContact O-N 2.93Å; R83-L86 PolarHBondContact O-N 2.77Å; R83-L87 HydrophobicContact CG-CD1 3.75Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.47Å; R83-L87 VanDerWaalsContact O-CG 3.3Å; R83-L87 WeakPolarHBondContact O-CG 3.24Å; R83-L87 PolarHBondContact O-N 3.06Å; R83-L143 HydrophobicContact CB-CD2 4.07Å; R83-L143 HydrophobicContact CG-CD2 3.88Å; R83-Q144 PolarHBondContact NH2-O 3.32Å
84D90.1Very high87.7Confident110 Ų11048.9 Ų48.959%0.58827%0.272SS*.Hα-helixtrans-80.5-32.7-170.2-60.4-19.7000112S82 Q88S82-D84 VanDerWaalsContact C-N 3.26Å; S82-D84 PolarHBondContact O-N 3.19Å; D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.48Å; D84-Q88 PolarHBondContact O-N 3.33Å
85E89.1Confident87.9Confident81 Ų8155.6 Ų55.638%0.37930%0.302SS..Hα-helixtrans-61.9-46.5168.1-72.9163.4-124.900111.2L78 N79 S82 Q88 L89L78-E85 HydrophobicContact CD1-CB 3.7Å; N79-E85 WeakPolarHBondContact CB-OE2 3.27Å; N79-E85 PolarHBondContact N-OE2 2.93Å; N79-E85 VanDerWaalsContact N-OE2 3.1Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-OE1 2.91Å; E85-Q88 PolarHBondContact O-N 2.9Å; E85-L89 WeakPolarHBondContact O-CB 3.49Å; E85-L89 PolarHBondContact O-N 3.16Å
86L90.4Very high88.1Confident4 Ų457.6 Ų57.62%0.02131%0.31CS..Hα-helixtrans-63.3-44.4179.7-75.3162.8000111.9L78 P80 S82 R83 L89 L90 L143 V152 L301L78-L86 HydrophobicContact CD2-CD2 3.95Å; P80-L86 WeakPolarHBondContact O-CD1 3.47Å; S82-L86 WeakPolarHBondContact O-CD1 3.32Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.45Å; S82-L86 VanDerWaalsContact O-N 3.17Å; R83-L86 PolarHBondContact O-N 2.77Å; L86-L89 PolarHBondContact O-N 2.72Å; L86-L90 WeakPolarHBondContact O-CB 3.5Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 2.79Å; L86-L143 HydrophobicContact CB-CD1 3.79Å; L86-L143 HydrophobicContact CB-CD2 4.22Å; L86-L143 HydrophobicContact CD1-CD1 4.14Å; L86-L143 HydrophobicContact CD1-CD2 4.05Å; L86-L143 HydrophobicContact CD1-CG 4.45Å; L86-L143 HydrophobicContact CG-CD1 4.46Å; L86-V152 HydrophobicContact CD2-CG1 4.31Å; L86-L301 HydrophobicContact CD2-CD1 4.33Å
87L91.7Very high88.2Confident17 Ų1764.3 Ų64.39%0.08933%0.334CS..Hα-helixtrans-66.7-42.1177-71.7171.1000112.2R83 L89 L90 D91 D145R83-L87 HydrophobicContact CG-CD1 3.75Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.47Å; R83-L87 VanDerWaalsContact O-CG 3.3Å; R83-L87 WeakPolarHBondContact O-CG 3.24Å; R83-L87 PolarHBondContact O-N 3.06Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L87-L90 PolarHBondContact O-N 3.07Å; L87-D91 WeakPolarHBondContact O-CB 3.47Å; L87-D91 PolarHBondContact O-N 2.91Å; L87-D145 HydrophobicContact CD2-CB 3.98Å
88Q91.6Very high88.2Confident148 Ų14865.3 Ų65.369%0.69233%0.327SS*.Hα-helixtrans-59.4-38.5175.7-174-176-50.100111.8D84 E85 T92D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.48Å; D84-Q88 PolarHBondContact O-N 3.33Å; E85-Q88 PolarHBondContact O-N 2.9Å; Q88-T92 WeakPolarHBondContact O-CB 3.48Å; Q88-T92 PolarHBondContact O-N 2.69Å; Q88-T92 VanDerWaalsContact O-N 3.11Å; Q88-T92 PolarHBondContact O-OG1 3.44Å
89L91.1Very high88.3Confident41 Ų4165 Ų6522%0.21533%0.326CS..Hα-helixtrans-69.3-46175.6-172.3152.5000111.8L71 V74 L78 E85 L86 L87 D91 T92 A93 L301L71-L89 HydrophobicContact CD1-CD2 3.45Å; L71-L89 VanDerWaalsContact CD1-CD2 3.45Å; V74-L89 HydrophobicContact CB-CD1 4.43Å; V74-L89 HydrophobicContact CG1-CD1 3.59Å; V74-L89 HydrophobicContact CG2-CD1 4.08Å; V74-L89 HydrophobicContact CG2-CD2 4.41Å; L78-L89 HydrophobicContact CD2-CD1 4.03Å; E85-L89 WeakPolarHBondContact O-CB 3.49Å; E85-L89 PolarHBondContact O-N 3.16Å; L86-L89 PolarHBondContact O-N 2.72Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.22Å; L89-T92 WeakPolarHBondContact O-CB 3.48Å; L89-T92 PolarHBondContact O-N 3.19Å; L89-T92 VanDerWaalsContact O-N 3.13Å; L89-A93 PolarHBondContact O-N 2.72Å; L89-L301 HydrophobicContact CD1-CD1 4.42Å; L89-L301 HydrophobicContact CD2-CD1 3.93Å
90L90.9Very high88.4Confident3 Ų363.5 Ų63.52%0.01632%0.319CS..Hα-helixtrans-59.9-42176.8-72.1169.5000112L86 L87 T92 A93 R94 L99 L143 L150 I303L86-L90 WeakPolarHBondContact O-CB 3.5Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 2.79Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L87-L90 PolarHBondContact O-N 3.07Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.16Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 WeakPolarHBondContact O-CD 3.38Å; L90-R94 WeakPolarHBondContact O-CG 3.25Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-L99 HydrophobicContact CD2-CD1 3.45Å; L90-L99 VanDerWaalsContact CD2-CD1 3.45Å; L90-L143 HydrophobicContact CD1-CD1 4.01Å; L90-L150 HydrophobicContact CD1-CD1 3.94Å; L90-I303 HydrophobicContact CD2-CD1 3.81Å; L90-I303 HydrophobicContact CD2-CG1 3.91Å; L90-I303 HydrophobicContact CD2-CG2 3.89Å
91D91.4Very high88.2Confident68 Ų6869 Ų6936%0.36435%0.347SS..Hα-helixtrans-70-27.7176.9-74.6-18.6000112.8L87 L89 R94 Q95L87-D91 WeakPolarHBondContact O-CB 3.47Å; L87-D91 PolarHBondContact O-N 2.91Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.22Å; D91-R94 WeakPolarHBondContact OD1-CD 3.12Å; D91-R94 IonicContact OD1-CZ 2.77Å; D91-R94 IonicContact OD1-NE 3.95Å; D91-R94 IonicContact OD1-NH1 3.07Å; D91-R94 PolarHBondContact OD1-NH1 2.84Å; D91-Q95 VanDerWaalsContact O-CG 3.23Å; D91-Q95 WeakPolarHBondContact O-CG 3.49Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 VanDerWaalsContact O-N 3.08Å; D91-Q95 PolarHBondContact O-NE2 2.9Å
92T90.9Very high87.8Confident65 Ų6575 Ų7540%0.39937%0.367SS..Hα-helixtrans-68.9-49.2170.4-55.50000110.4Q88 L89 L90 R94 Q95 L96Q88-T92 WeakPolarHBondContact O-CB 3.48Å; Q88-T92 PolarHBondContact O-N 2.69Å; Q88-T92 VanDerWaalsContact O-N 3.11Å; Q88-T92 PolarHBondContact O-OG1 3.44Å; L89-T92 WeakPolarHBondContact O-CB 3.48Å; L89-T92 PolarHBondContact O-N 3.19Å; L89-T92 VanDerWaalsContact O-N 3.13Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.16Å; T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.68Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.49Å; T92-L96 HydrophobicContact CG2-CD1 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å
93A90.1Very high87.6Confident4 Ų476.3 Ų76.33%0.03337%0.374CS..Hα-helixtrans-61.9-33.9176.700000112.8L71 L89 L90 L96 K97 E98 L99L71-A93 HydrophobicContact CD1-CB 3.82Å; L71-A93 HydrophobicContact CD2-CB 3.85Å; L89-A93 PolarHBondContact O-N 2.72Å; L90-A93 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 3.49Å; A93-K97 PolarHBondContact O-N 2.86Å; A93-E98 HydrophobicContact CB-CB 4.36Å; A93-E98 PolarHBondContact O-N 2.71Å; A93-L99 HydrophobicContact CB-CD1 3.95Å; A93-L99 HydrophobicContact CB-CG 3.97Å; A93-L99 PolarHBondContact O-N 2.99Å
94R89.5Confident87.4Confident33 Ų3376.4 Ų76.413%0.12538%0.38CS..Hα-helixtrans-64.9-40.9170.8-75.8163173.6172.2-3.1112.9L90 D91 T92 K97 L99 L101 D145L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 WeakPolarHBondContact O-CD 3.38Å; L90-R94 WeakPolarHBondContact O-CG 3.25Å; L90-R94 PolarHBondContact O-N 3.19Å; D91-R94 WeakPolarHBondContact OD1-CD 3.12Å; D91-R94 IonicContact OD1-CZ 2.77Å; D91-R94 IonicContact OD1-NE 3.95Å; D91-R94 IonicContact OD1-NH1 3.07Å; D91-R94 PolarHBondContact OD1-NH1 2.84Å; T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.68Å; R94-K97 PolarHBondContact O-N 3.28Å; R94-K97 VanDerWaalsContact O-N 3.16Å; R94-L99 HydrophobicContact CG-CB 4.11Å; R94-L101 HydrophobicContact CB-CD2 3.86Å; R94-L101 HydrophobicContact CG-CD2 4.12Å; R94-D145 IonicContact CZ-OD2 2.75Å; R94-D145 IonicContact NH1-OD2 3.18Å; R94-D145 PolarHBondContact NH1-OD2 2.94Å; R94-D145 IonicContact NH2-OD2 3.59Å; R94-D145 PolarHBondContact NH2-OD2 2.91Å
95Q91.1Very high87Confident152 Ų15274.1 Ų74.171%0.7138%0.376SS*.Hα-helixtrans-66.6-37.9175.3-74.7164.961.500111.8D91 T92 K97D91-Q95 VanDerWaalsContact O-CG 3.23Å; D91-Q95 WeakPolarHBondContact O-CG 3.49Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 VanDerWaalsContact O-N 3.08Å; D91-Q95 PolarHBondContact O-NE2 2.9Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.49Å; Q95-K97 PolarHBondContact O-N 2.93Å
96L88.1Confident86.8Confident114 Ų11477.7 Ų77.760%0.59739%0.393SS*.Hα-helixtrans-72-10.7172.4-63.8175000113.5T92 A93 E98T92-L96 HydrophobicContact CG2-CD1 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 3.49Å; L96-E98 HydrophobicContact CB-CG 4.04Å; L96-E98 PolarHBondContact O-N 2.85Å
97K83.4Confident86.7Confident184 Ų18478.9 Ų78.980%0.840%0.399SS*.THydrogen-bonded Turntrans66.418.3-176-49.1173.7-174.31690114.8A93 R94 Q95 L99A93-K97 PolarHBondContact O-N 2.86Å; R94-K97 PolarHBondContact O-N 3.28Å; R94-K97 VanDerWaalsContact O-N 3.16Å; Q95-K97 PolarHBondContact O-N 2.93Å; K97-L99 VanDerWaalsContact C-N 3.29Å
98E84.5Confident86.8Confident122 Ų12279.4 Ų79.457%0.5740%0.402SS*.SBendtrans-70.9-28.7171.4-62176.6152.800111.3L71 A93 L96L71-E98 HydrophobicContact CD2-CB 4.21Å; A93-E98 HydrophobicContact CB-CB 4.36Å; A93-E98 PolarHBondContact O-N 2.71Å; L96-E98 HydrophobicContact CB-CG 4.04Å; L96-E98 PolarHBondContact O-N 2.85Å
99L86.3Confident87Confident8 Ų872.4 Ų72.44%0.04237%0.369CS..SBendtrans-113.3143.2173.7-67.4-177.8000113L68 L71 L90 A93 R94 K97 I303L68-L99 HydrophobicContact CB-CD2 4.39Å; L71-L99 HydrophobicContact CD1-CD1 4.13Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CD2-CG 4.11Å; L90-L99 HydrophobicContact CD2-CD1 3.45Å; L90-L99 VanDerWaalsContact CD2-CD1 3.45Å; A93-L99 HydrophobicContact CB-CD1 3.95Å; A93-L99 HydrophobicContact CB-CG 3.97Å; A93-L99 PolarHBondContact O-N 2.99Å; R94-L99 HydrophobicContact CG-CB 4.11Å; K97-L99 VanDerWaalsContact C-N 3.29Å; L99-I303 HydrophobicContact CD1-CG1 4.25Å; L99-I303 HydrophobicContact CD2-CB 4.43Å; L99-I303 HydrophobicContact CD2-CG1 4.3Å
100P83.8Confident87.2Confident36 Ų3670.4 Ų70.423%0.23436%0.359CS..  trans-70.9129.8177.729.8-35.7000111.8L68 K102 Q107L68-P100 HydrophobicContact CB-CG 4.08Å; L68-P100 HydrophobicContact CD2-CG 4.23Å; L68-P100 WeakPolarHBondContact O-CD 3.42Å; P100-K102 PolarHBondContact O-N 2.87Å; P100-Q107 VanDerWaalsContact CB-NE2 3.33Å
101L78.3Confident87.4Confident137 Ų13770.3 Ų70.372%0.71736%0.358SS*.SBendtrans-69.7-13.2175.2-68.7170.3000114.1R94R94-L101 HydrophobicContact CB-CD2 3.86Å; R94-L101 HydrophobicContact CG-CD2 4.12Å
102K77.1Confident87.6Confident172 Ų17267.2 Ų67.275%0.74834%0.342SS*.SBendtrans-145.1137-179-65.4-176.4-178.61770109.9P100 T104P100-K102 PolarHBondContact O-N 2.87Å; K102-T104 PolarHBondContact O-N 2.96Å
103T81.8Confident87.7Confident54 Ų5464.2 Ų64.233%0.33132%0.323SS..  trans-75.1119.2176.156.50000111.1K66 L68 Q107 L148 A305K66-T103 HydrophobicContact CD-CG2 4.18Å; L68-T103 HydrophobicContact CD2-CG2 3.96Å; T103-Q107 VanDerWaalsContact CA-OE1 3.26Å; T103-L148 HydrophobicContact CG2-CD1 4.27Å; T103-L148 HydrophobicContact CG2-CD2 3.75Å; T103-A305 HydrophobicContact CG2-CB 4.27Å
104T84.6Confident87.7Confident51 Ų5164.6 Ų64.631%0.31333%0.325SS..  trans-93.7-177.7174.673.80000111.4K66 K102 E106 Q107K66-T104 PolarHBondContact NZ-O 3.49Å; K102-T104 PolarHBondContact O-N 2.96Å; T104-E106 PolarHBondContact OG1-N 2.98Å; T104-E106 PolarHBondContact OG1-OE2 2.96Å; T104-Q107 PolarHBondContact OG1-N 2.85Å
105A81.8Confident87.7Confident62 Ų6263.5 Ų63.551%0.51232%0.323SS..SBendtrans-89.6-19.3170.100000112.6Q107 D108A105-Q107 PolarHBondContact O-N 2.94Å; A105-D108 VanDerWaalsContact O-CB 3.29Å; A105-D108 WeakPolarHBondContact O-CB 3.31Å; A105-D108 PolarHBondContact O-N 3.38Å
106E84.4Confident87.5Confident156 Ų15664.3 Ų64.373%0.72932%0.32SS*.THydrogen-bonded Turntrans-68.5-24.2173.5-58.8141.5161.200111.2T104 D108 W122T104-E106 PolarHBondContact OG1-N 2.98Å; T104-E106 PolarHBondContact OG1-OE2 2.96Å; E106-D108 PolarHBondContact O-N 2.73Å; E106-W122 WeakPolarHBondContact O-CZ3 3.47Å
107Q88.3Confident87.6Confident30 Ų3059.4 Ų59.414%0.1430%0.295CS..THydrogen-bonded Turntrans-78.1-3.9175.9-72.2162-0.600113.6K66 F67 P100 T103 T104 A105 S109K66-Q107 CarbonylContact C-O 3.57Å; K66-Q107 WeakPolarHBondContact CA-O 2.98Å; K66-Q107 HydrophobicContact CB-CB 4.32Å; F67-Q107 PolarHBondContact N-O 3.23Å; P100-Q107 VanDerWaalsContact CB-NE2 3.33Å; T103-Q107 VanDerWaalsContact CA-OE1 3.26Å; T104-Q107 PolarHBondContact OG1-N 2.85Å; A105-Q107 PolarHBondContact O-N 2.94Å; Q107-S109 PolarHBondContact O-N 2.98Å
108D93.9Very high88.1Confident28 Ų2850.7 Ų50.715%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-60.4125.7179.2-69.2-10.4000110.7R36 K66 A105 E106 R123R36-D108 IonicContact CZ-OD2 2.7Å; R36-D108 IonicContact NH1-OD2 3.45Å; R36-D108 PolarHBondContact NH1-OD2 3.05Å; R36-D108 IonicContact NH2-OD2 3.56Å; R36-D108 PolarHBondContact NH2-OD2 3.43Å; R36-D108 VanDerWaalsContact NH2-OD2 3.13Å; K66-D108 IonicContact NZ-OD1 3.31Å; K66-D108 PolarHBondContact NZ-OD1 3.33Å; A105-D108 VanDerWaalsContact O-CB 3.29Å; A105-D108 WeakPolarHBondContact O-CB 3.31Å; A105-D108 PolarHBondContact O-N 3.38Å; E106-D108 PolarHBondContact O-N 2.73Å; D108-R123 HydrophobicContact CB-CB 3.67Å; D108-R123 HydrophobicContact CB-CG 4.21Å; D108-R123 WeakPolarHBondContact O-CB 3.44Å; D108-R123 PolarHBondContact O-N 3.03Å
109S94.9Very high88.6Confident0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-141.1159179.853.20000112.1V65 F67 Q107 T121V65-S109 PolarHBondContact N-O 2.82Å; V65-S109 PolarHBondContact O-N 3.13Å; F67-S109 PolarHBondContact N-OG 2.87Å; Q107-S109 PolarHBondContact O-N 2.98Å; S109-T121 CarbonylContact C-O 3.55Å; S109-T121 VanDerWaalsContact CA-O 3.23Å; S109-T121 WeakPolarHBondContact CA-O 3.46Å; S109-T121 VanDerWaalsContact CB-O 3.23Å; S109-T121 WeakPolarHBondContact CB-O 3.47Å
110I95.5Very high89Confident0 Ų045.3 Ų45.30%023%0.232CC..EExtended strand (participates in β ladder)trans-102.6123.7174.3-50.8174.5000107.4L39 E62 K63 L120 T121 R123L39-I110 HydrophobicContact CD2-CD1 3.82Å; L39-I110 HydrophobicContact CD2-CG1 3.86Å; L39-I110 HydrophobicContact CD2-CG2 4.02Å; E62-I110 HydrophobicContact CB-CG2 3.63Å; E62-I110 HydrophobicContact CG-CG2 3.71Å; K63-I110 WeakPolarHBondContact O-CA 3.23Å; I110-L120 WeakPolarHBondContact O-CA 3.5Å; I110-T121 PolarHBondContact N-O 2.91Å; I110-T121 PolarHBondContact O-N 2.88Å; I110-T121 PolarHBondContact O-OG1 3.47Å; I110-R123 VanDerWaalsContact CG1-CD 3.4Å
111L95.9Very high89.5Confident1 Ų143.7 Ų43.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-93109.7166179.863.1000108.3E62 K63 V65 L113 L118 L120 L151 L304E62-L111 WeakPolarHBondContact CA-O 3.23Å; K63-L111 PolarHBondContact N-O 2.77Å; K63-L111 PolarHBondContact O-N 2.93Å; V65-L111 HydrophobicContact CG1-CB 4.09Å; V65-L111 HydrophobicContact CG1-CD2 4.42Å; V65-L111 HydrophobicContact CG2-CB 3.86Å; L111-L113 HydrophobicContact CD1-CD2 4.2Å; L111-L113 HydrophobicContact CD2-CD2 3.78Å; L111-L113 HydrophobicContact CG-CD2 3.7Å; L111-L113 HydrophobicContact CG-CG 4.31Å; L111-L118 HydrophobicContact CD1-CB 4.15Å; L111-L120 HydrophobicContact CB-CD1 4.23Å; L111-L120 HydrophobicContact CD1-CD1 4.24Å; L111-L151 HydrophobicContact CD2-CD2 4.3Å; L111-L304 HydrophobicContact CD1-CD1 4.44Å; L111-L304 HydrophobicContact CD2-CD1 3.97Å
112S95.4Very high90.3Very high3 Ų340.8 Ų40.82%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-97.7104.6177.2160.90000109.2Y60 L61 L118 L119Y60-S112 WeakPolarHBondContact CD2-OG 3.34Å; L61-S112 CarbonylContact O-C 3.55Å; L61-S112 WeakPolarHBondContact O-CA 3.17Å; S112-L118 WeakPolarHBondContact O-CA 3.36Å; S112-L119 PolarHBondContact N-O 3.45Å; S112-L119 PolarHBondContact O-N 2.95Å
113L93.3Very high90.9Very high1 Ų133.2 Ų33.21%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-85.9135.9-179-54173.3000111Y60 L61 L111 L118 L318 I319Y60-L113 CarbonylContact C-O 3.2Å; Y60-L113 VanDerWaalsContact CA-O 3.25Å; Y60-L113 WeakPolarHBondContact CA-O 3.34Å; Y60-L113 WeakPolarHBondContact CB-O 3.4Å; L61-L113 PolarHBondContact N-O 3.5Å; L61-L113 PolarHBondContact O-N 3.02Å; L111-L113 HydrophobicContact CD1-CD2 4.2Å; L111-L113 HydrophobicContact CD2-CD2 3.78Å; L111-L113 HydrophobicContact CG-CD2 3.7Å; L111-L113 HydrophobicContact CG-CG 4.31Å; L113-L118 HydrophobicContact CB-CD2 4.39Å; L113-L118 HydrophobicContact CD2-CD1 4.01Å; L113-L118 HydrophobicContact CD2-CD2 3.73Å; L113-L118 HydrophobicContact CD2-CG 4.31Å; L113-L318 HydrophobicContact CD1-CB 3.75Å; L113-L318 HydrophobicContact CD1-CD1 3.68Å; L113-L318 HydrophobicContact CD1-CG 4.37Å; L113-I319 HydrophobicContact CD2-CD1 4.38Å; L113-I319 HydrophobicContact CD2-CG1 4.1Å
114S90.4Very high91.2Very high12 Ų1234.6 Ų34.68%0.08417%0.174CC..  trans-153.8163.4169.674.40000109.8R116 C117 T134S114-R116 PolarHBondContact O-N 3.31Å; S114-R116 PolarHBondContact OG-N 2.75Å; S114-C117 PolarHBondContact N-O 2.7Å; S114-C117 PolarHBondContact OG-N 2.8Å; S114-C117 PolarHBondContact OG-O 3.01Å; S114-T134 VanDerWaalsContact O-CG2 3.31Å; S114-T134 WeakPolarHBondContact O-CG2 3.34Å
115A88.6Confident91.3Very high10 Ų1036.7 Ų36.78%0.08318%0.183CC..SBendtrans-65.3-17177.400000114.2L56 L57 T134 I325 I326L56-A115 WeakPolarHBondContact O-CB 3.42Å; L56-A115 PolarHBondContact O-N 3.46Å; L57-A115 HydrophobicContact CD2-CB 4.01Å; A115-T134 PolarHBondContact O-OG1 3.47Å; A115-I325 HydrophobicContact CB-CG2 4.42Å; A115-I326 WeakPolarHBondContact O-CD1 3.09Å
116R86.8Confident91.6Very high169 Ų16935.9 Ų35.964%0.63817%0.169SC*.SBendtrans-92.2-41.6-179.1-60.5-176.1-175.981.48.4113.3L57 S114 T134L57-R116 PolarHBondContact O-NH1 2.82Å; L57-R116 PolarHBondContact O-NH2 3.34Å; L57-R116 VanDerWaalsContact O-NH2 3.15Å; S114-R116 PolarHBondContact O-N 3.31Å; S114-R116 PolarHBondContact OG-N 2.75Å; R116-T134 PolarHBondContact O-N 2.95Å; R116-T134 PolarHBondContact O-OG1 2.88Å
117C91Very high91.9Very high12 Ų1232.2 Ų32.28%0.08115%0.151CC..EExtended strand (participates in β ladder)trans-164.3153.3-178.453.10000111.1S114 R131 I132S114-C117 PolarHBondContact N-O 2.7Å; S114-C117 PolarHBondContact OG-N 2.8Å; S114-C117 PolarHBondContact OG-O 3.01Å; C117-R131 HydrophobicContact CB-CG 4.39Å; C117-I132 CarbonylContact C-O 3.48Å; C117-I132 WeakPolarHBondContact CA-O 3.44Å; C117-I132 VanDerWaalsContact CB-O 3.28Å; C117-I132 WeakPolarHBondContact CB-O 3.32Å
118L93.6Very high92.1Very high1 Ų133 Ų331%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-93.5130.7165-40.7-171.5000108.1L111 S112 L113 I132 T134 I137 L153 I319L111-L118 HydrophobicContact CD1-CB 4.15Å; S112-L118 WeakPolarHBondContact O-CA 3.36Å; L113-L118 HydrophobicContact CB-CD2 4.39Å; L113-L118 HydrophobicContact CD2-CD1 4.01Å; L113-L118 HydrophobicContact CD2-CD2 3.73Å; L113-L118 HydrophobicContact CD2-CG 4.31Å; L118-I132 HydrophobicContact CB-CB 4.4Å; L118-I132 PolarHBondContact N-O 3.2Å; L118-I132 PolarHBondContact O-N 2.97Å; L118-T134 HydrophobicContact CD2-CG2 4.06Å; L118-I137 HydrophobicContact CD1-CD1 3.45Å; L118-I137 VanDerWaalsContact CD1-CD1 3.45Å; L118-I137 HydrophobicContact CG-CD1 3.77Å; L118-L153 HydrophobicContact CD1-CD1 4.03Å; L118-I319 HydrophobicContact CD1-CD1 4.13Å; L118-I319 HydrophobicContact CD1-CG1 4.28Å
119L95Very high92Very high13 Ų1332.4 Ų32.47%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-112.5124.4178-58.1174.6000109S112 L128 R131S112-L119 PolarHBondContact N-O 3.45Å; S112-L119 PolarHBondContact O-N 2.95Å; L119-L128 HydrophobicContact CB-CD1 4.11Å; L119-L128 HydrophobicContact CD2-CD1 4.06Å; L119-R131 HydrophobicContact CD2-CB 3.77Å; L119-R131 HydrophobicContact CD2-CG 3.61Å
120L95Very high91.9Very high3 Ų332.4 Ų32.42%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-104.8116.9174.8-166.873.1000109V65 F67 I110 L111 I129 L130 L304V65-L120 HydrophobicContact CG2-CD1 3.82Å; F67-L120 HydrophobicContact CB-CD2 4.02Å; F67-L120 HydrophobicContact CD2-CD2 3.44Å; F67-L120 VanDerWaalsContact CD2-CD2 3.44Å; F67-L120 HydrophobicContact CE2-CD2 4.04Å; F67-L120 HydrophobicContact CG-CD2 3.81Å; I110-L120 WeakPolarHBondContact O-CA 3.5Å; L111-L120 HydrophobicContact CB-CD1 4.23Å; L111-L120 HydrophobicContact CD1-CD1 4.24Å; L120-I129 HydrophobicContact CD2-CD1 4.18Å; L120-I129 HydrophobicContact CG-CD1 4.13Å; L120-I129 WeakPolarHBondContact O-CB 3.44Å; L120-I129 PolarHBondContact O-N 2.65Å; L120-L130 HydrophobicContact CB-CB 4.17Å; L120-L130 HydrophobicContact CD2-CD1 4.07Å; L120-L130 PolarHBondContact N-O 3.12Å; L120-L130 PolarHBondContact O-N 3.47Å; L120-L304 HydrophobicContact CD1-CD1 4.48Å; L120-L304 HydrophobicContact CD1-CD2 3.84Å; L120-L304 HydrophobicContact CD2-CD2 3.84Å
121T94.7Very high91.8Very high3 Ų337.3 Ų37.32%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-124.1143.8-177.347.10000111.7S109 I110 E127 L128S109-T121 CarbonylContact C-O 3.55Å; S109-T121 VanDerWaalsContact CA-O 3.23Å; S109-T121 WeakPolarHBondContact CA-O 3.46Å; S109-T121 VanDerWaalsContact CB-O 3.23Å; S109-T121 WeakPolarHBondContact CB-O 3.47Å; I110-T121 PolarHBondContact N-O 2.91Å; I110-T121 PolarHBondContact O-N 2.88Å; I110-T121 PolarHBondContact O-OG1 3.47Å; T121-E127 CarbonylContact C-O 3.48Å; T121-E127 WeakPolarHBondContact CA-O 3.46Å; T121-E127 WeakPolarHBondContact CB-O 3.43Å; T121-L128 HydrophobicContact CG2-CB 4.34Å; T121-L128 HydrophobicContact CG2-CD1 3.99Å
122W93.8Very high91.6Very high75 Ų7537.3 Ų37.328%0.28417%0.172SC..EExtended strand (participates in β ladder)trans-63.4142.8175.8-74.6128.4000112.2F67 E106 D124 N125 E126 E127 I129F67-W122 HydrophobicContact CB-CH2 4.41Å; F67-W122 HydrophobicContact CB-CZ3 4.25Å; F67-W122 AromaticContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CZ2 4.34Å; F67-W122 HydrophobicContact CD1-CZ3 4.47Å; E106-W122 WeakPolarHBondContact O-CZ3 3.47Å; W122-D124 PolarHBondContact O-N 3.32Å; W122-N125 WeakPolarHBondContact CB-OD1 3.49Å; W122-E126 WeakPolarHBondContact O-CA 3.44Å; W122-E126 PolarHBondContact O-N 3.19Å; W122-E127 PolarHBondContact N-O 3.06Å; W122-I129 HydrophobicContact CD2-CD1 3.37Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 3.56Å; W122-I129 HydrophobicContact CG-CD1 3.88Å; W122-I129 HydrophobicContact CG-CG1 3.93Å; W122-I129 HydrophobicContact CH2-CD1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.85Å; W122-I129 HydrophobicContact CZ2-CG1 4.35Å; W122-I129 HydrophobicContact CZ3-CD1 3.85Å
123R90.9Very high91.3Very high14 Ų1438.5 Ų38.55%0.05318%0.179CC..THydrogen-bonded Turntrans-75.7-22.2-172.5-169.659.5175.3117.7-6.2114.9R37 E64 D108 I110R37-R123 PolarHBondContact O-NH1 2.8Å; R37-R123 PolarHBondContact O-NH2 2.85Å; E64-R123 IonicContact OE1-CZ 2.8Å; E64-R123 IonicContact OE1-NE 2.78Å; E64-R123 PolarHBondContact OE1-NE 2.8Å; E64-R123 IonicContact OE1-NH2 2.65Å; E64-R123 PolarHBondContact OE1-NH2 3.11Å; D108-R123 HydrophobicContact CB-CB 3.67Å; D108-R123 HydrophobicContact CB-CG 4.21Å; D108-R123 WeakPolarHBondContact O-CB 3.44Å; D108-R123 PolarHBondContact O-N 3.03Å; I110-R123 VanDerWaalsContact CG1-CD 3.4Å
124D88.4Confident91.1Very high83 Ų8338.7 Ų38.744%0.44418%0.181SC..THydrogen-bonded Turntrans-99.3-30.9-173.4-73.2-49.5000115.1R36 W122R36-D124 IonicContact CZ-OD1 3.13Å; R36-D124 VanDerWaalsContact CZ-OD1 3.3Å; R36-D124 IonicContact CZ-OD2 3.39Å; R36-D124 IonicContact NE-OD1 3.3Å; R36-D124 PolarHBondContact NE-OD1 3.15Å; R36-D124 IonicContact NE-OD2 3.74Å; R36-D124 VanDerWaalsContact NH2-CG 3.25Å; R36-D124 IonicContact NH2-OD1 2.59Å; R36-D124 PolarHBondContact NH2-OD1 3.47Å; R36-D124 VanDerWaalsContact NH2-OD1 3.07Å; R36-D124 IonicContact NH2-OD2 2.71Å; R36-D124 PolarHBondContact NH2-OD2 3.34Å; W122-D124 PolarHBondContact O-N 3.32Å
125N86.7Confident90.8Very high94 Ų9443.4 Ų43.450%0.50320%0.201SC..THydrogen-bonded Turntrans-116.4-7176.173.9-11.7000114.1W122 E127W122-N125 WeakPolarHBondContact CB-OD1 3.49Å; N125-E127 WeakPolarHBondContact ND2-CB 3.43Å; N125-E127 PolarHBondContact ND2-OE2 3.39Å; N125-E127 PolarHBondContact O-N 2.94Å; N125-E127 VanDerWaalsContact OD1-CB 3.29Å; N125-E127 WeakPolarHBondContact OD1-CB 3.42Å; N125-E127 PolarHBondContact OD1-N 3.37Å; N125-E127 VanDerWaalsContact OD1-N 3.16Å
126E87.1Confident90.8Very high46 Ų4645.3 Ų45.322%0.21521%0.208CC..  trans60.519.7-179.6-50.5-163.582.700115R37 W122 W350R37-E126 IonicContact CZ-OE1 3.15Å; R37-E126 IonicContact NE-OE1 2.66Å; R37-E126 PolarHBondContact NE-OE1 3.13Å; R37-E126 IonicContact NE-OE2 2.74Å; R37-E126 IonicContact NH2-OE1 2.71Å; R37-E126 PolarHBondContact NH2-OE1 2.59Å; W122-E126 WeakPolarHBondContact O-CA 3.44Å; W122-E126 PolarHBondContact O-N 3.19Å; E126-W350 VanDerWaalsContact OE1-CH2 3.3Å; E126-W350 WeakPolarHBondContact OE1-CH2 3.41Å; E126-W350 WeakPolarHBondContact OE1-CZ3 3.46Å; E126-W350 WeakPolarHBondContact OE2-CZ3 3.33Å
127E91.1Very high90.9Very high78 Ų7837.7 Ų37.736%0.36418%0.18SC..  trans-70.2144.5174.1-177175.4-155.300111.5T121 W122 N125T121-E127 CarbonylContact C-O 3.48Å; T121-E127 WeakPolarHBondContact CA-O 3.46Å; T121-E127 WeakPolarHBondContact CB-O 3.43Å; W122-E127 PolarHBondContact N-O 3.06Å; N125-E127 WeakPolarHBondContact ND2-CB 3.43Å; N125-E127 PolarHBondContact ND2-OE2 3.39Å; N125-E127 PolarHBondContact O-N 2.94Å; N125-E127 VanDerWaalsContact OD1-CB 3.29Å; N125-E127 WeakPolarHBondContact OD1-CB 3.42Å; N125-E127 PolarHBondContact OD1-N 3.37Å; N125-E127 VanDerWaalsContact OD1-N 3.16Å
128L91.8Very high90.8Very high48 Ų4839.7 Ų39.725%0.25120%0.197SC..EExtended strand (participates in β ladder)trans-81.2119.9-177.6-177.766.8000111L119 T121 L130 R131 V162L119-L128 HydrophobicContact CB-CD1 4.11Å; L119-L128 HydrophobicContact CD2-CD1 4.06Å; T121-L128 HydrophobicContact CG2-CB 4.34Å; T121-L128 HydrophobicContact CG2-CD1 3.99Å; L128-L130 WeakPolarHBondContact CD1-O 3.37Å; L128-R131 HydrophobicContact CD2-CB 4.33Å; L128-V162 HydrophobicContact CD2-CG2 4.09Å; L128-V162 HydrophobicContact CG-CG2 4.19Å
129I92.3Very high90.6Very high15 Ų1539.7 Ų39.78%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-87.2-53.5176.9-41.7176.1000109.7F67 L120 W122 V162F67-I129 HydrophobicContact CB-CD1 4.34Å; F67-I129 HydrophobicContact CD1-CD1 4.25Å; F67-I129 HydrophobicContact CD1-CG2 4.05Å; F67-I129 HydrophobicContact CE1-CG2 3.79Å; F67-I129 HydrophobicContact CG-CD1 4.43Å; F67-I129 HydrophobicContact CZ-CG2 4.29Å; L120-I129 HydrophobicContact CD2-CD1 4.18Å; L120-I129 HydrophobicContact CG-CD1 4.13Å; L120-I129 WeakPolarHBondContact O-CB 3.44Å; L120-I129 PolarHBondContact O-N 2.65Å; W122-I129 HydrophobicContact CD2-CD1 3.37Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 3.56Å; W122-I129 HydrophobicContact CG-CD1 3.88Å; W122-I129 HydrophobicContact CG-CG1 3.93Å; W122-I129 HydrophobicContact CH2-CD1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.85Å; W122-I129 HydrophobicContact CZ2-CG1 4.35Å; W122-I129 HydrophobicContact CZ3-CD1 3.85Å; I129-V162 PolarHBondContact O-N 3.34Å
130L92.3Very high90.4Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-141.6138.1-173.8-71.5162.6000109.7F67 H70 L120 L128 I132 V159 P161 V302F67-L130 HydrophobicContact CE2-CD1 3.65Å; F67-L130 HydrophobicContact CZ-CD1 3.89Å; H70-L130 HydrophobicContact CB-CD1 4.49Å; L120-L130 HydrophobicContact CB-CB 4.17Å; L120-L130 HydrophobicContact CD2-CD1 4.07Å; L120-L130 PolarHBondContact N-O 3.12Å; L120-L130 PolarHBondContact O-N 3.47Å; L128-L130 WeakPolarHBondContact CD1-O 3.37Å; L130-I132 HydrophobicContact CB-CG1 4.48Å; L130-V159 HydrophobicContact CD2-CG1 3.84Å; L130-P161 HydrophobicContact CD2-CB 4.05Å; L130-V302 HydrophobicContact CD1-CG1 3.99Å; L130-V302 HydrophobicContact CD1-CG2 4.13Å
131R92.8Very high90.3Very high102 Ų10239 Ų3939%0.38519%0.194SC..EExtended strand (participates in β ladder)trans-117.2114.6166.5169.7174.3-178.4-151.61.2107.6C117 L119 L128C117-R131 HydrophobicContact CB-CG 4.39Å; L119-R131 HydrophobicContact CD2-CB 3.77Å; L119-R131 HydrophobicContact CD2-CG 3.61Å; L128-R131 HydrophobicContact CD2-CB 4.33Å
132I91.7Very high90.2Very high2 Ų239.2 Ų39.21%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-108.8108.2-176.3-52.2172000107.3C117 L118 L130 T134 I137 L153 T155 V159 V302C117-I132 CarbonylContact C-O 3.48Å; C117-I132 WeakPolarHBondContact CA-O 3.44Å; C117-I132 VanDerWaalsContact CB-O 3.28Å; C117-I132 WeakPolarHBondContact CB-O 3.32Å; L118-I132 HydrophobicContact CB-CB 4.4Å; L118-I132 PolarHBondContact N-O 3.2Å; L118-I132 PolarHBondContact O-N 2.97Å; L130-I132 HydrophobicContact CB-CG1 4.48Å; I132-T134 PolarHBondContact O-N 3.43Å; I132-I137 HydrophobicContact CG2-CD1 3.73Å; I132-I137 HydrophobicContact CG2-CG1 3.5Å; I132-I137 VanDerWaalsContact CG2-CG1 3.5Å; I132-L153 HydrophobicContact CD1-CD1 3.99Å; I132-T155 HydrophobicContact CG2-CG2 3.77Å; I132-V159 HydrophobicContact CG1-CG1 3.93Å; I132-V159 HydrophobicContact CG1-CG2 4.49Å; I132-V159 HydrophobicContact CG2-CG2 4.04Å; I132-V302 HydrophobicContact CD1-CB 4.44Å; I132-V302 HydrophobicContact CD1-CG1 4.42Å; I132-V302 HydrophobicContact CD1-CG2 3.91Å
133P90.3Very high90.1Very high27 Ų2735.7 Ų35.718%0.17518%0.181CC..EExtended strand (participates in β ladder)trans-59.8136.8171.7-19.232.3000109.6H135 E136P133-H135 VanDerWaalsContact CB-CE1 3.49Å; P133-H135 WeakPolarHBondContact CB-CE1 3.39Å; P133-H135 PolarHBondContact O-N 2.85Å; P133-E136 HydrophobicContact CB-CB 4.46Å; P133-E136 HydrophobicContact CB-CG 4.08Å; P133-E136 HydrophobicContact CG-CG 4.08Å; P133-E136 PolarHBondContact O-N 3.5Å
134T88.6Confident90.1Very high6 Ų637.9 Ų37.94%0.03719%0.192CC..G310 helixtrans-61.9-29.1-176.240.20000112.9S114 A115 R116 L118 I132 E136 I137 V322 I326S114-T134 VanDerWaalsContact O-CG2 3.31Å; S114-T134 WeakPolarHBondContact O-CG2 3.34Å; A115-T134 PolarHBondContact O-OG1 3.47Å; R116-T134 PolarHBondContact O-N 2.95Å; R116-T134 PolarHBondContact O-OG1 2.88Å; L118-T134 HydrophobicContact CD2-CG2 4.06Å; I132-T134 PolarHBondContact O-N 3.43Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.45Å; T134-I137 PolarHBondContact O-N 2.86Å; T134-V322 HydrophobicContact CG2-CG1 3.6Å; T134-I326 HydrophobicContact CG2-CD1 4.09Å; T134-I326 WeakPolarHBondContact OG1-CD1 3.34Å
135H85.3Confident90.1Very high111 Ų11135.1 Ų35.151%0.51418%0.177SC..G310 helixtrans-75.9-10.4175.861.8-105.2000114.8P133 Y327P133-H135 VanDerWaalsContact CB-CE1 3.49Å; P133-H135 WeakPolarHBondContact CB-CE1 3.39Å; P133-H135 PolarHBondContact O-N 2.85Å; H135-Y327 WeakPolarHBondContact CA-OH 3.4Å
136E87.9Confident90.2Very high50 Ų5036.7 Ų36.723%0.23419%0.186CC..G310 helixtrans-91-5.8173.8-69.6-172.8-172.500112.8P133 T134 T155 G156 V159P133-E136 HydrophobicContact CB-CB 4.46Å; P133-E136 HydrophobicContact CB-CG 4.08Å; P133-E136 HydrophobicContact CG-CG 4.08Å; P133-E136 PolarHBondContact O-N 3.5Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.45Å; E136-T155 CarbonylContact O-C 3.46Å; E136-T155 VanDerWaalsContact O-CA 3.23Å; E136-T155 WeakPolarHBondContact O-CA 3.46Å; E136-G156 PolarHBondContact O-N 3.46Å; E136-V159 VanDerWaalsContact OE2-CG2 3.24Å; E136-V159 WeakPolarHBondContact OE2-CG2 3.36Å; E136-V159 PolarHBondContact OE2-N 2.84Å
137I89.7Confident90.1Very high9 Ų938.7 Ų38.75%0.04621%0.21CC..EExtended strand (participates in β ladder)trans-89.6111.6-177.9-45.3-179.5000109.5L118 I132 T134 K154 T155 F323L118-I137 HydrophobicContact CD1-CD1 3.45Å; L118-I137 VanDerWaalsContact CD1-CD1 3.45Å; L118-I137 HydrophobicContact CG-CD1 3.77Å; I132-I137 HydrophobicContact CG2-CD1 3.73Å; I132-I137 HydrophobicContact CG2-CG1 3.5Å; I132-I137 VanDerWaalsContact CG2-CG1 3.5Å; T134-I137 PolarHBondContact O-N 2.86Å; I137-K154 CarbonylContact C-O 3.54Å; I137-T155 HydrophobicContact CG1-CG2 4.32Å; I137-F323 HydrophobicContact CB-CE1 4Å; I137-F323 HydrophobicContact CB-CZ 3.85Å; I137-F323 HydrophobicContact CG2-CE1 4.4Å; I137-F323 HydrophobicContact CG2-CZ 3.75Å
138A88.3Confident90Very high53 Ų5337.3 Ų37.344%0.43821%0.205SC..EExtended strand (participates in β ladder)trans-81.5-28.1179.900000113.2K154A138-K154 HydrophobicContact CB-CD 4.44Å; A138-K154 HydrophobicContact CB-CG 4.33Å; A138-K154 PolarHBondContact N-O 2.95Å
139A88.8Confident90.1Very high2 Ų236.5 Ų36.52%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-165.1158175.200000112.3P80 K154P80-A139 HydrophobicContact CB-CB 3.52Å; P80-A139 HydrophobicContact CG-CB 3.61Å; A139-K154 HydrophobicContact CB-CB 4.38Å; A139-K154 PolarHBondContact N-O 3.46Å; A139-K154 PolarHBondContact O-N 3.01Å
140A91.7Very high90.1Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-128.2125.6167.500000110.6L153 C199 I319A140-L153 HydrophobicContact CB-CD2 3.65Å; A140-C199 PolarHBondContact O-N 3.44Å; A140-I319 HydrophobicContact CB-CB 4.47Å; A140-I319 HydrophobicContact CB-CD1 4.26Å; A140-I319 HydrophobicContact CB-CG2 3.87Å
141S91.3Very high90.2Very high2 Ų235.8 Ų35.81%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-128.1134.1-172.5-60.50000111.9P80 V152P80-S141 WeakPolarHBondContact O-CB 3.31Å; P80-S141 PolarHBondContact O-OG 3.39Å; S141-V152 PolarHBondContact N-O 3.06Å; S141-V152 PolarHBondContact O-N 3.03Å
142Y93.3Very high90.3Very high7 Ų731.1 Ų31.13%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-99.8113.1174.4160.3-119.6000111H149 L150 H196 T197 R309 A312 E313Y142-H149 HydrophobicContact CE2-CB 3.86Å; Y142-H149 AromaticContact CE2-ND1 3.69Å; Y142-H149 AromaticContact CZ-ND1 3.67Å; Y142-H149 PolarHBondContact OH-ND1 3.47Å; Y142-L150 WeakPolarHBondContact CA-O 3.33Å; Y142-H196 PolarHBondContact O-CD2 3.17Å; Y142-H196 PolarHBondContact O-NE2 3.28Å; Y142-T197 WeakPolarHBondContact CD1-OG1 3.39Å; Y142-T197 PolarHBondContact N-O 3.19Å; Y142-R309 HydrophobicContact CE1-CG 4.18Å; Y142-A312 HydrophobicContact CD2-CB 3.49Å; Y142-A312 VanDerWaalsContact CD2-CB 3.49Å; Y142-A312 HydrophobicContact CE2-CB 3.84Å; Y142-A312 HydrophobicContact CG-CB 4.05Å; Y142-E313 HydrophobicContact CD1-CG 4.47Å
143L92.1Very high90.4Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-104.4132.5177.3-63.5163.5000110.6R83 L86 L90 L150 V152 H196R83-L143 HydrophobicContact CB-CD2 4.07Å; R83-L143 HydrophobicContact CG-CD2 3.88Å; L86-L143 HydrophobicContact CB-CD1 3.79Å; L86-L143 HydrophobicContact CB-CD2 4.22Å; L86-L143 HydrophobicContact CD1-CD1 4.14Å; L86-L143 HydrophobicContact CD1-CD2 4.05Å; L86-L143 HydrophobicContact CD1-CG 4.45Å; L86-L143 HydrophobicContact CG-CD1 4.46Å; L90-L143 HydrophobicContact CD1-CD1 4.01Å; L143-L150 HydrophobicContact CB-CB 4.24Å; L143-L150 PolarHBondContact N-O 2.63Å; L143-L150 PolarHBondContact O-N 2.78Å; L143-V152 HydrophobicContact CD1-CG2 3.69Å; L143-H196 VanDerWaalsContact CD2-NE2 3.34Å; L143-H196 WeakPolarHBondContact CD2-NE2 3.29Å
144Q91Very high90.5Very high61 Ų6130.9 Ų30.929%0.28518%0.175SC..EExtended strand (participates in β ladder)trans-97.6110.1165.8-162.6-176.72.800111.1R83 R194R83-Q144 PolarHBondContact NH2-O 3.32Å; Q144-R194 PolarHBondContact O-NH1 3.23Å
145D88.9Confident90.6Very high24 Ų2430.7 Ų30.713%0.12817%0.174CC..EExtended strand (participates in β ladder)trans-113.5101.3-177.5-17731.2000109.8L87 R94 A147 L148 L150L87-D145 HydrophobicContact CD2-CB 3.98Å; R94-D145 IonicContact CZ-OD2 2.75Å; R94-D145 IonicContact NH1-OD2 3.18Å; R94-D145 PolarHBondContact NH1-OD2 2.94Å; R94-D145 IonicContact NH2-OD2 3.59Å; R94-D145 PolarHBondContact NH2-OD2 2.91Å; D145-A147 PolarHBondContact O-N 3.22Å; D145-L148 PolarHBondContact N-O 2.81Å; D145-L148 PolarHBondContact O-N 3.39Å; D145-L150 HydrophobicContact CB-CD1 3.84Å; D145-L150 HydrophobicContact CB-CG 4.31Å
146D86.9Confident90.7Very high127 Ų12726.7 Ų26.768%0.67916%0.163SC*.THydrogen-bonded Turntrans43-95.1-166.3-78.5-14000114.5R194D146-R194 PolarHBondContact O-NH1 2.78Å; D146-R194 VanDerWaalsContact O-NH1 3.15Å
147A85.6Confident90.1Very high89 Ų8927.4 Ų27.474%0.73617%0.168SC*.THydrogen-bonded Turntrans-111.83-178.800000114D145D145-A147 PolarHBondContact O-N 3.22Å
148L89.8Confident88.9Confident49 Ų4929.5 Ų29.526%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-100.2136.9173.5-62179.2000110.5T103 D145 L150T103-L148 HydrophobicContact CG2-CD1 4.27Å; T103-L148 HydrophobicContact CG2-CD2 3.75Å; D145-L148 PolarHBondContact N-O 2.81Å; D145-L148 PolarHBondContact O-N 3.39Å; L148-L150 HydrophobicContact CB-CD2 4.03Å; L148-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CD1-CD2 4.41Å
149H93Very high87.9Confident30 Ų3027 Ų2714%0.13917%0.171CC..EExtended strand (participates in β ladder)trans-98.6103.4168.9-62.8-71.8000107.6Y142 A305 V306 R309Y142-H149 HydrophobicContact CE2-CB 3.86Å; Y142-H149 AromaticContact CE2-ND1 3.69Å; Y142-H149 AromaticContact CZ-ND1 3.67Å; Y142-H149 PolarHBondContact OH-ND1 3.47Å; H149-A305 CarbonylContact O-C 3.54Å; H149-A305 WeakPolarHBondContact O-CA 3.28Å; H149-V306 PolarHBondContact O-N 3.09Å; H149-R309 PolarHBondContact CD2-N 2.97Å; H149-R309 PolarHBondContact NE2-N 2.98Å
150L93.6Very high86.5Confident0 Ų032.8 Ų32.80%020%0.202CC..EExtended strand (participates in β ladder)trans-97.4133.7-176.4-57.4179.9000110.4L68 L90 Y142 L143 D145 L148 L304 A305L68-L150 HydrophobicContact CD1-CD2 3.73Å; L90-L150 HydrophobicContact CD1-CD1 3.94Å; Y142-L150 WeakPolarHBondContact CA-O 3.33Å; L143-L150 HydrophobicContact CB-CB 4.24Å; L143-L150 PolarHBondContact N-O 2.63Å; L143-L150 PolarHBondContact O-N 2.78Å; D145-L150 HydrophobicContact CB-CD1 3.84Å; D145-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CB-CD2 4.03Å; L148-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CD1-CD2 4.41Å; L150-L304 CarbonylContact C-O 3.51Å; L150-L304 VanDerWaalsContact CA-O 3.32Å; L150-L304 WeakPolarHBondContact CA-O 3.44Å; L150-A305 HydrophobicContact CD2-CB 3.88Å
151L94.6Very high85Confident0 Ų035.9 Ų35.90%022%0.222CC..EExtended strand (participates in β ladder)trans-108.7116.3169175.264000107.4L111 L153 L304 V306L111-L151 HydrophobicContact CD2-CD2 4.3Å; L151-L153 HydrophobicContact CD1-CD2 4.29Å; L151-L153 HydrophobicContact CG-CD2 4.21Å; L151-L304 HydrophobicContact CB-CB 4.3Å; L151-L304 HydrophobicContact CD2-CD1 4.35Å; L151-L304 PolarHBondContact N-O 3.39Å; L151-L304 WeakPolarHBondContact O-CB 3.41Å; L151-L304 PolarHBondContact O-N 2.92Å; L151-V306 HydrophobicContact CB-CG2 3.96Å
152V94.3Very high83.3Confident5 Ų539.2 Ų39.23%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-109.2122.7179.7178.70000108.9L86 S141 L143 L301 I303L86-V152 HydrophobicContact CD2-CG1 4.31Å; S141-V152 PolarHBondContact N-O 3.06Å; S141-V152 PolarHBondContact O-N 3.03Å; L143-V152 HydrophobicContact CD1-CG2 3.69Å; V152-L301 HydrophobicContact CG1-CB 4.36Å; V152-L301 HydrophobicContact CG1-CD2 4.13Å; V152-I303 HydrophobicContact CB-CD1 4.49Å; V152-I303 HydrophobicContact CG1-CD1 3.87Å; V152-I303 HydrophobicContact CG2-CD1 3.99Å
153L93.8Very high80.8Confident0 Ų044 Ų440%028%0.275CS..EExtended strand (participates in β ladder)trans-102.7121.6173-49.7178.8000108.3L118 I132 A140 L151 T155 L301 V302 L304 I319L118-L153 HydrophobicContact CD1-CD1 4.03Å; I132-L153 HydrophobicContact CD1-CD1 3.99Å; A140-L153 HydrophobicContact CB-CD2 3.65Å; L151-L153 HydrophobicContact CD1-CD2 4.29Å; L151-L153 HydrophobicContact CG-CD2 4.21Å; L153-T155 HydrophobicContact CB-CG2 4.34Å; L153-L301 WeakPolarHBondContact O-CA 3.31Å; L153-V302 HydrophobicContact CB-CB 4.28Å; L153-V302 PolarHBondContact N-O 2.82Å; L153-V302 PolarHBondContact O-N 3.43Å; L153-L304 HydrophobicContact CD1-CD1 4.47Å; L153-I319 HydrophobicContact CD2-CD1 3.8Å
154K92.4Very high78.3Confident23 Ų2346.9 Ų46.910%0.130%0.298CS..EExtended strand (participates in β ladder)trans-90.3118.7172.2-176.4-179.9-178.7-179.30108.4S76 L78 P80 I137 A138 A139 C299 L301S76-K154 PolarHBondContact O-NZ 3.49Å; L78-K154 PolarHBondContact O-NZ 3.33Å; P80-K154 HydrophobicContact CB-CD 4.34Å; P80-K154 HydrophobicContact CG-CD 4.45Å; I137-K154 CarbonylContact C-O 3.54Å; A138-K154 HydrophobicContact CB-CD 4.44Å; A138-K154 HydrophobicContact CB-CG 4.33Å; A138-K154 PolarHBondContact N-O 2.95Å; A139-K154 HydrophobicContact CB-CB 4.38Å; A139-K154 PolarHBondContact N-O 3.46Å; A139-K154 PolarHBondContact O-N 3.01Å; K154-C299 VanDerWaalsContact CE-SG 3.56Å; K154-L301 HydrophobicContact CB-CD2 3.93Å; K154-L301 HydrophobicContact CG-CD2 3.99Å
155T90.7Very high75.7Confident2 Ų247.6 Ų47.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-124.9162.1-174.6670000112.3I132 E136 I137 L153 V159 C299 N300I132-T155 HydrophobicContact CG2-CG2 3.77Å; E136-T155 CarbonylContact O-C 3.46Å; E136-T155 VanDerWaalsContact O-CA 3.23Å; E136-T155 WeakPolarHBondContact O-CA 3.46Å; I137-T155 HydrophobicContact CG1-CG2 4.32Å; L153-T155 HydrophobicContact CB-CG2 4.34Å; T155-V159 HydrophobicContact CG2-CG2 4.22Å; T155-C299 WeakPolarHBondContact O-CB 3.27Å; T155-N300 PolarHBondContact N-O 2.71Å; T155-N300 PolarHBondContact O-N 2.82Å; T155-N300 WeakPolarHBondContact OG1-CB 3.45Å
156G86.3Confident73Confident28 Ų2852.6 Ų52.629%0.28935%0.353SS..  trans-63.7173.4166.100000112.8E136 G158E136-G156 PolarHBondContact O-N 3.46Å; G156-G158 VanDerWaalsContact C-N 3.25Å; G156-G158 PolarHBondContact O-N 2.92Å
157L76.6Confident70.3Confident64 Ų6454.9 Ų54.934%0.33537%0.365SS..THydrogen-bonded Turntrans-75.7-7.4-179.6-60.2177000113.9V159 P295 N300L157-V159 PolarHBondContact O-N 3.3Å; L157-P295 WeakPolarHBondContact CD1-O 3.29Å; L157-N300 WeakPolarHBondContact CD2-OD1 3.25Å
158G63.5Low67.6Low53 Ų5355.2 Ų55.255%0.54637%0.368SS..THydrogen-bonded Turntrans-73.5-10.8178.600000114.8G156 D160G156-G158 VanDerWaalsContact C-N 3.25Å; G156-G158 PolarHBondContact O-N 2.92Å; G158-D160 PolarHBondContact O-N 2.89Å; G158-D160 VanDerWaalsContact O-N 3.09Å
159V66.9Low64.7Low1 Ų158.6 Ų58.61%0.00640%0.396CS..  trans-81.485.8178-175.20000110.2H70 L130 I132 E136 T155 L157 N300H70-V159 PolarHBondContact CE1-O 3.45Å; H70-V159 PolarHBondContact NE2-O 2.95Å; L130-V159 HydrophobicContact CD2-CG1 3.84Å; I132-V159 HydrophobicContact CG1-CG1 3.93Å; I132-V159 HydrophobicContact CG1-CG2 4.49Å; I132-V159 HydrophobicContact CG2-CG2 4.04Å; E136-V159 VanDerWaalsContact OE2-CG2 3.24Å; E136-V159 WeakPolarHBondContact OE2-CG2 3.36Å; E136-V159 PolarHBondContact OE2-N 2.84Å; T155-V159 HydrophobicContact CG2-CG2 4.22Å; L157-V159 PolarHBondContact O-N 3.3Å; V159-N300 PolarHBondContact O-ND2 3.15Å
160D59.6Low62Low123 Ų12363.3 Ų63.366%0.65843%0.429SS*.PPolyproline II helixtrans-87.5141.5166.9-86.9-42000111.7G158G158-D160 PolarHBondContact O-N 2.89Å; G158-D160 VanDerWaalsContact O-N 3.09Å
161P61.8Low58.7Low66 Ų6667.5 Ų67.543%0.42947%0.472SS..BIsolated β-bridgetrans-66.2135.216829.3-33000110.1L130 P163L130-P161 HydrophobicContact CD2-CB 4.05Å; P161-P163 WeakPolarHBondContact O-CD 2.97Å
162V53.6Low55.4Low71 Ų7171.3 Ų71.343%0.4351%0.511SS..PPolyproline II helixtrans-66.5125.1175-178.20000107.8L128 I129 A164L128-V162 HydrophobicContact CD2-CG2 4.09Å; L128-V162 HydrophobicContact CG-CG2 4.19Å; I129-V162 PolarHBondContact O-N 3.34Å; V162-A164 PolarHBondContact O-N 3.02Å
163P42.5Very low52.2Low109 Ų10976.3 Ų76.371%0.70855%0.553SS**  trans-67.6110.1179.326.2-33000109.6P161 G165P161-P163 WeakPolarHBondContact O-CD 2.97Å; P163-G165 PolarHBondContact O-N 3.38Å
164A39Very low48.9Very low59 Ų5980 Ų8049%0.48859%0.591SS.*  trans-53.1130.6166.300000108.6V162 V166V162-A164 PolarHBondContact O-N 3.02Å; A164-V166 PolarHBondContact O-N 3.02Å
165G36.3Very low45.7Very low76 Ų7691 Ų9178%0.78463%0.632SS**  trans-57.2118.4-159.100000114.3P163P163-G165 PolarHBondContact O-N 3.38Å
166V32.7Very low42.5Very low130 Ų13098.2 Ų98.279%0.78867%0.67SS**  trans-123.1121172.9-73.40000110.4A164A164-V166 PolarHBondContact O-N 3.02Å
167D29.4Very low40.3Very low174 Ų174102.6 Ų102.693%0.9369%0.694SS**  trans-68.3136.6-179.6-70-65.3000112
168A29.2Very low37.8Very low97 Ų97103 Ų10380%0.80271%0.714SS**  trans-87.8113.4-174.800000112.9
169S28.2Very low36.5Very low120 Ų120106.4 Ų106.484%0.83973%0.726SS**  trans-161.9158.6153.9-89.10000113
170P37.3Very low35.3Very low129 Ų129112.4 Ų112.484%0.83877%0.765SS**  trans-112.1160.8-150.840-33.8000116.2
171G24.5Very low33.6Very low87 Ų87110 Ų11090%0.89777%0.769SS**  trans124.5122.2155.800000115.5
172G25.4Very low32Very low80 Ų80112.1 Ų112.183%0.82579%0.792SS**  trans175.6117.7173.400000111.2
173A25.8Very low30.7Very low110 Ų110113 Ų11391%0.90981%0.808SS**  trans-88.5138.4-170.500000113.1
174G24.6Very low30.5Very low77 Ų77113.9 Ų113.979%0.79481%0.813SS**  trans-73.2-171.2-169.700000118.6
175R26.2Very low29.9Very low254 Ų254118.9 Ų118.996%0.95883%0.826SS**  trans-159.9147.3165.5-122.4170.7178.9169.9-0.7112.2
176D23.1Very low29.4Very low154 Ų154124.5 Ų124.582%0.82483%0.829SS**  trans-152.1170.7172.7-131-13.4000105.3
177P40.6Very low29.2Very low120 Ų120130 Ų13078%0.77984%0.836SS**  cis-131.5-178.1-7.841.5-25.2000114.4
178G23.6Very low28.9Very low74 Ų74132.9 Ų132.976%0.76383%0.834SS**  trans162.3112.8162.400000118.9
179P35.7Very low28.8Very low123 Ų123135.6 Ų135.680%0.79984%0.84SS**  trans-117.6-166.6174.443.3-33.5000112.7
180P42.3Very low28.6Very low127 Ų127133.1 Ų133.183%0.82583%0.834SS**  cis-126.4-176.8-32.829.5-9.3000113.1
181G24.2Very low28.2Very low73 Ų73134.3 Ų134.375%0.75384%0.838SS**  trans177109163.400000120.1
182A27.9Very low28.4Very low110 Ų110134 Ų13491%0.90983%0.828SS**  trans55.3133.2150.700000123.1
183A27.2Very low28.7Very low91 Ų91139.1 Ų139.175%0.75283%0.83SS**  trans-113161157.200000109.7
184P36.8Very low29.1Very low126 Ų126138.3 Ų138.382%0.81880%0.804SS**  -135.8-168.891.541.6-28.8000111.1
185E26.2Very low29.8Very low165 Ų165145 Ų14577%0.77181%0.805SS**  cis-151.2-165.112.2-155.7-149.958.500110.7
186K26.5Very low30.1Very low194 Ų194134.8 Ų134.884%0.84377%0.768SS**  trans-127.5123167.2-74.9-174.7176.7-177.70110.5
187R27.9Very low30.9Very low245 Ų245130.6 Ų130.693%0.92575%0.748SS**  trans-108.4142.5166.4-153.6171.7-170.4-1752.8111.6
188R24.3Very low30.8Very low235 Ų235127.9 Ų127.989%0.88773%0.726SS**  trans-99.8173.8-176.4-68-179.8172.8-176.4-2.5112.6
189V25.5Very low31.5Very low153 Ų153126.1 Ų126.193%0.92770%0.701SS**  trans93.8126.6159.6-173.20000115.6
190G25.5Very low31.6Very low69 Ų69122.3 Ų122.371%0.71168%0.678SS**  trans158.446173.200000116.4A192G190-A192 PolarHBondContact O-N 3.41Å
191T29Very low31.1Very low153 Ų153121.5 Ų121.594%0.93967%0.666SS**  trans-72.1110.8177.947.50000111.8
192A27.7Very low31.5Very low81 Ų81125.2 Ų125.267%0.66967%0.669SS**  trans-135.1116.8169.700000109.8G190 R194G190-A192 PolarHBondContact O-N 3.41Å; A192-R194 PolarHBondContact O-N 2.99Å
193E32Very low32Very low187 Ų187130.7 Ų130.787%0.87467%0.666SS**  trans-69.4109.6-173.2-167.6-174137.500111.4
194R34.9Very low32.1Very low94 Ų94136.9 Ų136.936%0.35567%0.67SS.*  trans-112.2130.9170.5-81.6-169.5175.6-159.20.6110.1Q144 D146 A192Q144-R194 PolarHBondContact O-NH1 3.23Å; D146-R194 PolarHBondContact O-NH1 2.78Å; D146-R194 VanDerWaalsContact O-NH1 3.15Å; A192-R194 PolarHBondContact O-N 2.99Å
195R38.5Very low31.8Very low218 Ų218139.8 Ų139.882%0.82368%0.675SS**  trans-70.8143.9-175.9-63-178.4176.6-150.9-5.4111.4
196H32.4Very low31.9Very low39 Ų39135.2 Ų135.218%0.18167%0.672CS.*  trans-123.6136.6177.5-168.8-133.9000108.1P80 S81 Y142 L143 I198P80-H196 PolarHBondContact O-CE1 3.27Å; S81-H196 PolarHBondContact O-CE1 2.94Å; S81-H196 PolarHBondContact O-ND1 3.43Å; Y142-H196 PolarHBondContact O-CD2 3.17Å; Y142-H196 PolarHBondContact O-NE2 3.28Å; L143-H196 VanDerWaalsContact CD2-NE2 3.34Å; L143-H196 WeakPolarHBondContact CD2-NE2 3.29Å; H196-I198 WeakPolarHBondContact ND1-CG1 3.45Å
197T39.4Very low32.1Very low65 Ų65138.3 Ų138.340%0.39968%0.678SS.*EExtended strand (participates in β ladder)trans-122.8130.8175.851.90000109.3Y142Y142-T197 WeakPolarHBondContact CD1-OG1 3.39Å; Y142-T197 PolarHBondContact N-O 3.19Å
198I39.6Very low31.9Very low63 Ų63130.6 Ų130.632%0.32368%0.676SS.*EExtended strand (participates in β ladder)trans-129.9132.4-164.3-55.5144.1000107.7S81 H196 S200S81-I198 VanDerWaalsContact CB-CD1 3.5Å; H196-I198 WeakPolarHBondContact ND1-CG1 3.45Å; I198-S200 VanDerWaalsContact CG2-OG 3.26Å; I198-S200 WeakPolarHBondContact CG2-OG 3.11Å
199C38.4Very low32Very low37 Ų37123 Ų12325%0.2567%0.67CS.*EExtended strand (participates in β ladder)trans-105.489163.9-88.90000110A140 C320A140-C199 PolarHBondContact O-N 3.44Å; C199-C320 HydrophobicContact CB-CB 3.82Å; C199-C320 WeakPolarHBondContact CB-SG 3.33Å; C199-C320 WeakPolarHBondContact SG-CB 3.26Å; C199-C320 CovalentContact SG-SG 2.01Å; C199-C320 PolarHBondContact SG-SG 2.83Å
200S36.5Very low32.1Very low44 Ų44119.2 Ų119.231%0.30866%0.662SS.*  trans-118.5127.9169.8-66.40000108.9I198I198-S200 VanDerWaalsContact CG2-OG 3.26Å; I198-S200 WeakPolarHBondContact CG2-OG 3.11Å
201L33.5Very low32.1Very low109 Ų109123 Ų12357%0.57167%0.672SS**  trans-89.5113.6154.9-79.1139.7000106.3W203 F323L201-W203 PolarHBondContact O-N 3.43Å; L201-F323 HydrophobicContact CD1-CB 4.19Å
202D31.7Very low32.1Very low151 Ų151120.3 Ų120.381%0.80767%0.665SS**  trans-71.386.8-178.7-86.7-44.9000111.2R204D202-R204 PolarHBondContact O-N 2.96Å
203W37.6Very low32.1Very low226 Ų226123.7 Ų123.786%0.85667%0.667SS**  trans-72.316.7-178.960.4-81.6000114.8L201 M205L201-W203 PolarHBondContact O-N 3.43Å; W203-M205 PolarHBondContact O-N 3.08Å
204R30.1Very low31.9Very low221 Ų221120.1 Ų120.183%0.83467%0.669SS**  trans-98.855.4179.1-165.1-173.5-84-88.7-2.8113D202D202-R204 PolarHBondContact O-N 2.96Å
205M29.5Very low31.6Very low187 Ų187125.4 Ų125.492%0.92169%0.689SS**  trans-147.3115.2153.4-77-56.7160.100108.8W203W203-M205 PolarHBondContact O-N 3.08Å
206G29.9Very low31.1Very low69 Ų69119.8 Ų119.871%0.71169%0.69SS**  trans-175.1-19.3-17600000117.6
207W29.7Very low30.8Very low258 Ų258122.1 Ų122.198%0.97772%0.724SS**  trans-120.464.9178.3-74.985.8000112G209W207-G209 VanDerWaalsContact C-N 3.27Å; W207-G209 PolarHBondContact O-N 3.1Å
208G24.2Very low30.2Very low84 Ų84122.8 Ų122.887%0.86674%0.744SS**  trans-77.763.417600000113.7G210G208-G210 PolarHBondContact O-N 2.99Å
209G27.1Very low29.6Very low74 Ų74126 Ų12676%0.76377%0.772SS**  trans-75.2113.6167.600000110.4W207W207-G209 VanDerWaalsContact C-N 3.27Å; W207-G209 PolarHBondContact O-N 3.1Å
210G26.8Very low29Very low75 Ų75128.2 Ų128.277%0.77380%0.801SS**  trans-64.1134.6-166.600000115.4G208 A212G208-G210 PolarHBondContact O-N 2.99Å; G210-A212 PolarHBondContact O-N 3.44Å
211T25.9Very low28.5Very low149 Ų149130.1 Ų130.191%0.91483%0.828SS**  trans-68.4106.3167.848.20000110.8
212A28.5Very low28.1Very low96 Ų96128.7 Ų128.779%0.79384%0.839SS**  trans-91136.6165.600000110.4G210 A214G210-A212 PolarHBondContact O-N 3.44Å; A212-A214 PolarHBondContact O-N 2.91Å
213E27.7Very low27.9Very low151 Ų151126.4 Ų126.471%0.70684%0.835SS**  trans-66.3118.8176.3-77.6-17567.600111.9R215E213-R215 PolarHBondContact O-N 2.01Å; E213-R215 IonicContact OE1-CZ 2.71Å; E213-R215 IonicContact OE1-NH1 2.72Å; E213-R215 PolarHBondContact OE1-NH1 2.9Å
214A27.4Very low27.5Very low112 Ų112122 Ų12293%0.92683%0.828SS**  trans-79.881.7168.500000110.8A212A212-A214 PolarHBondContact O-N 2.91Å
215R28.6Very low27.5Very low206 Ų206117.5 Ų117.578%0.77782%0.816SS**  trans-107.2104.5175.6-107.4178.8166.1129.3-7112.7E213E213-R215 PolarHBondContact O-N 2.01Å; E213-R215 IonicContact OE1-CZ 2.71Å; E213-R215 IonicContact OE1-NH1 2.72Å; E213-R215 PolarHBondContact OE1-NH1 2.9Å
216A28.5Very low27.6Very low100 Ų100117 Ų11783%0.82680%0.804SS**  trans38.2108.1150.700000121.2
217G26.6Very low27.6Very low87 Ų87120.4 Ų120.490%0.89780%0.801SS**  trans89.9159.2131.800000118.5
218G26.7Very low27.4Very low80 Ų80119.2 Ų119.283%0.82580%0.797SS**  trans127.6103.5169.200000115.3
219S26.6Very low27.5Very low129 Ų129122 Ų12290%0.90280%0.797SS**  trans-59.8152.8163.751.50000114.3
220G26.3Very low27.5Very low84 Ų84121.4 Ų121.487%0.86679%0.79SS**  trans162.8123.1158.600000113.4
221G25.5Very low27.5Very low84 Ų84122.6 Ų122.687%0.86679%0.793SS**  trans-111.6169.2-176.500000114.9
222G26Very low27.5Very low79 Ų79127 Ų12781%0.81479%0.793SS**  trans95.9168.4171.100000115.3
223S26.7Very low27.3Very low103 Ų103126.3 Ų126.372%0.7279%0.787SS**  cis-169.5151.8-18.5-159.10000110.5
224L28.7Very low27.3Very low134 Ų134125.2 Ų125.270%0.70280%0.796SS**  trans58.1123.1160.3-100.966.2000118.8
225E30.6Very low27.3Very low127 Ų127123.5 Ų123.559%0.59379%0.789SS**  76.8147.4101.1-80.6-169.2145.100115.9
226R31.6Very low27.2Very low176 Ų176119 Ų11966%0.66479%0.79SS**  cis-155.7146.821.1-124.7155.4-147.3-85-7.1112.9
227Q29.3Very low27Very low140 Ų140126.4 Ų126.465%0.65480%0.796SS**  57.9110125.7-161.1169.1-16.900119.6
228R26.6Very low27.2Very low233 Ų233130.2 Ų130.288%0.87979%0.791SS**  57.9137.677.4-58-179.3179.5-158.21.2113.3
229V25.5Very low27.2Very low144 Ų144136.3 Ų136.387%0.87379%0.789SS**  cis-158.4157.545.4172.80000108.1
230G26.9Very low27.4Very low61 Ų61140.8 Ų140.863%0.62979%0.786SS**  cis151165.9-3.800000112.6
231A26.9Very low27.5Very low99 Ų99144.4 Ų144.482%0.81878%0.78SS**  trans65.6141.8-177.500000115.6
232R26.7Very low27.4Very low242 Ų242145.2 Ų145.291%0.91377%0.768SS**  cis-162.1162.62.2-112.2171.1-179.4172.3-0.8106.2
233A25.1Very low27.3Very low81 Ų81151 Ų15167%0.66977%0.771SS**  cis-160.8-174.5-4.600000109.7
234S27.7Very low27.2Very low128 Ų128151.2 Ų151.290%0.89577%0.773SS**  trans70.5142.6170.273.40000118.4
235G26.8Very low27Very low76 Ų76147.7 Ų147.778%0.78477%0.769SS**  trans104.5-2.3162.500000119.7W237G235-W237 PolarHBondContact O-N 2.84Å
236S26.2Very low26.8Very low113 Ų113147 Ų14779%0.7978%0.778SS**  trans-73.7114.3-170.8-169.30000114.8E238S236-E238 PolarHBondContact O-N 3.38Å
237W24.5Very low26.6Very low255 Ų255150.6 Ų150.697%0.96679%0.792SS**  trans-84.891162.9-93.582.8000110.8G235G235-W237 PolarHBondContact O-N 2.84Å
238E29.9Very low26.6Very low167 Ų167151.9 Ų151.978%0.7880%0.798SS**  trans-165.6121.3162.8-128.8178.3-147.300113.9S236S236-E238 PolarHBondContact O-N 3.38Å
239R26.4Very low26.7Very low208 Ų208150.5 Ų150.579%0.78579%0.793SS**  -174.7118.8119-174.8152.4-65.8-117.2-6.1112
240R32.8Very low27Very low223 Ų223155.6 Ų155.684%0.84280%0.796SS**  trans-62.4134.9162.9180-169.2-61.7-107.71.7109.9
241Q27.5Very low27.1Very low159 Ų159160.6 Ų160.674%0.74380%0.803SS**  trans-132.3126.6159.1-81.3-67.516.600111.1
242T24.2Very low27Very low101 Ų101159.7 Ų159.762%0.6280%0.803SS**  trans-91.2145.4162.147.20000108.7
243F23.4Very low27.2Very low201 Ų201154.3 Ų154.388%0.88280%0.803SS**  trans-162.6158.7133.7-113.5-71.3000112
244S25Very low27.3Very low108 Ų108154.3 Ų154.376%0.75581%0.811SS**  trans-97.1145.3-174.253.30000113.7
245G23.5Very low27.2Very low60 Ų60152.4 Ų152.462%0.61981%0.811SS**  trans-154.8118.5155.400000107.6
246S27.2Very low27.2Very low112 Ų112152.7 Ų152.778%0.78381%0.814SS**  cis59.79149.9-163.40000111.9
247W26.9Very low27.2Very low252 Ų252151.5 Ų151.596%0.95582%0.82SS**  trans-128.8132.2161.5-85.491.9000108.8
248E28.9Very low27.3Very low167 Ų167143.3 Ų143.378%0.7881%0.814SS**  trans-91.1175.8-166.6-66.7-17392.100113.8
249R29.7Very low27.2Very low204 Ų204140.7 Ų140.777%0.7782%0.821SS**PPolyproline II helixtrans-47.2142.5174.1-53.2168.1-129.6-124.6-0.9111.9H251R249-H251 WeakPolarHBondContact CD-NE2 3.22Å
250R30Very low27.4Very low251 Ų251134.7 Ų134.795%0.94782%0.824SS**PPolyproline II helixtrans-103.8131.4138.5-87.7-168.5172.3-138.5-1.3109.6
251H29.6Very low27.2Very low166 Ų166134 Ų13477%0.76983%0.827SS**PPolyproline II helixtrans-87.1161.3166.8-74.6-114.7000109.8R249R249-H251 WeakPolarHBondContact CD-NE2 3.22Å
252G26.1Very low28.2Very low80 Ų80132.3 Ų132.383%0.82583%0.83SS**  trans113.274141.700000118.3
253S30.6Very low28.3Very low129 Ų129131.3 Ų131.390%0.90284%0.839SS**  trans-144.615713161.90000108.2
254G27.1Very low28.4Very low81 Ų81125 Ų12584%0.83583%0.831SS**  trans-159.6171.6-171.200000114.1
255G25.9Very low28.5Very low88 Ų88125.2 Ų125.291%0.90783%0.832SS**  trans116.1123.6-173.100000111.3
256G25.8Very low28.5Very low81 Ų81132.3 Ų132.384%0.83584%0.841SS**  cis172167.1-7.800000113.3
257G26Very low28.8Very low89 Ų89131.1 Ų131.192%0.91882%0.823SS**  trans85.4155.7171.900000115.9
258G26.3Very low29.1Very low82 Ų82128.1 Ų128.185%0.84581%0.811SS**  trans120.977172.600000115.4
259A28.8Very low29.2Very low113 Ų113129.4 Ų129.493%0.93481%0.809SS**  trans-54.7157.1179.800000116.3
260G30.3Very low29.2Very low81 Ų81127.9 Ų127.984%0.83581%0.81SS**  trans152.399161.600000117.2
261K29.7Very low29Very low209 Ų209120.5 Ų120.591%0.90980%0.803SS**  trans-148.9162.3164.2-104.2-171-179.7-178.60107.5
262P46.6Very low28.8Very low124 Ų124115.8 Ų115.881%0.80580%0.799SS**  cis-134.5-173.4-19.840-23.2000113.1
263G26.4Very low29Very low79 Ų79118.4 Ų118.481%0.81481%0.805SS**  trans98.1155.515500000116.6
264G25.8Very low28.9Very low68 Ų68115.3 Ų115.370%0.70179%0.794SS**  cis131.485.1-11.200000115.8
265S27.4Very low29.3Very low113 Ų113115 Ų11579%0.7979%0.79SS**  trans-141.4117.4158.8-1570000107.1
266W23.8Very low29.7Very low210 Ų210112.9 Ų112.980%0.79577%0.769SS**  57.6126.356.7-52.1115.5000111.7
267E33.4Very low30.5Very low87 Ų87111.9 Ų111.941%0.40775%0.749SS.*  cis-155176.7-23.8-133.1-165.415400105.8R269E267-R269 IonicContact OE1-CZ 3.88Å; E267-R269 IonicContact OE1-NE 3.99Å; E267-R269 PolarHBondContact OE1-NE 2.67Å; E267-R269 IonicContact OE1-NH2 2.69Å; E267-R269 PolarHBondContact OE1-NH2 3.47Å
268R33Very low31.5Very low188 Ų188117.4 Ų117.471%0.70974%0.742SS**  cis-153.6153.634.3-117.4159.8-86.2-68.7-12.7107.2
269R31.3Very low32.8Very low194 Ų194121 Ų12173%0.73274%0.737SS**  42.3134.188.3-47.5-169.2-162-134.50.1114.5E267E267-R269 IonicContact OE1-CZ 3.88Å; E267-R269 IonicContact OE1-NE 3.99Å; E267-R269 PolarHBondContact OE1-NE 2.67Å; E267-R269 IonicContact OE1-NH2 2.69Å; E267-R269 PolarHBondContact OE1-NH2 3.47Å
270Q29.6Very low33.8Very low172 Ų172125.6 Ų125.680%0.80473%0.73SS**  cis-161.7168.98.4-114.5-104.8-1.100110.4
271A25.4Very low34.9Very low97 Ų97128.8 Ų128.880%0.80272%0.717SS**  trans63.2142.2174.300000118.1
272G26.7Very low35.5Very low66 Ų66124.8 Ų124.868%0.6870%0.701SS**  cis-176.5158.4-6.600000111.9
273S29.5Very low35.6Very low136 Ų136125.7 Ų125.795%0.95171%0.707SS**  trans59.1130.9-178.3-62.70000116
274G28.5Very low36.8Very low64 Ų64124.4 Ų124.466%0.6669%0.694SS**  cis146.975.5500000109.7R281G274-R281 PolarHBondContact O-NH2 3.37Å
275G35.8Very low38Very low73 Ų73126.5 Ų126.575%0.75370%0.695SS**  trans-149.331.9-164.600000115.4
276G34.5Very low39.2Very low45 Ų45125 Ų12546%0.46468%0.678SS.*  trans-68157.1176.700000113.4
277S42.7Very low40.7Very low59 Ų59120.9 Ų120.941%0.41368%0.679SS.*  trans-45.6153.3176.3-173.60000114.2E279 R280S277-E279 WeakPolarHBondContact CB-OE2 3.42Å; S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 VanDerWaalsContact O-N 3.13Å; S277-E279 PolarHBondContact OG-OE2 3.09Å; S277-R280 PolarHBondContact O-N 2.95Å
278W46.9Very low41.3Very low205 Ų205124 Ų12478%0.77770%0.697SS**G310 helixtrans-50.3-39.3-177.4-149.7-66.5000112.4R280 R281W278-R280 PolarHBondContact O-N 3.1Å; W278-R281 PolarHBondContact O-N 2.92Å
279E53Low41.9Very low158 Ų158120.2 Ų120.274%0.73869%0.691SS**G310 helixtrans-54.8-23.8177.5-54.1141.2145.200113.7S277S277-E279 WeakPolarHBondContact CB-OE2 3.42Å; S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 VanDerWaalsContact O-N 3.13Å; S277-E279 PolarHBondContact OG-OE2 3.09Å
280R49.3Very low42.5Very low210 Ų210116.5 Ų116.579%0.79269%0.692SS**G310 helixtrans-99.22.7-178.6-98-173.2-85.3-113.8-0.5114.7S277 W278S277-R280 PolarHBondContact O-N 2.95Å; W278-R280 PolarHBondContact O-N 3.1Å
281R54Low43.4Very low148 Ų148116.3 Ų116.356%0.55869%0.691SS**THydrogen-bonded Turntrans-112-20.3178.8-67.2-167.9-172.5-109.710.7115.2G274 W278G274-R281 PolarHBondContact O-NH2 3.37Å; W278-R281 PolarHBondContact O-N 2.92Å
282H41.3Very low44.2Very low124 Ų124118.2 Ų118.257%0.57469%0.688SS**  trans-131.1103.9-176-65.1-75.3000111.7G284H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 PolarHBondContact O-N 2.93Å
283P50.1Low45.1Very low144 Ų144120.5 Ų120.594%0.93569%0.691SS**  trans-78.777.2168.232.8-32.9000109.7
284G51.4Low45.9Very low52 Ų52116.3 Ų116.354%0.53666%0.662SS.*SBendtrans-171.6159.2177.900000111.6H282H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 PolarHBondContact O-N 2.93Å
285P51Low47Very low112 Ų112117.8 Ų117.873%0.72766%0.66SS**  trans-64.4144.7179.527.5-34.4000111.5P287P285-P287 WeakPolarHBondContact O-CD 3.45Å
286N51.9Low47.7Very low82 Ų82120.1 Ų120.144%0.43966%0.655SS.*  trans-69.9119.5178.1-179.223.1000110L288 D289N286-L288 PolarHBondContact O-N 2.76Å; N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.32Å; N286-D289 WeakPolarHBondContact CB-OD2 3.01Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.93Å
287P55.7Low49.2Very low123 Ų123119.7 Ų119.780%0.79965%0.646SS**THydrogen-bonded Turntrans-73.412.2-174.531.7-37.7000114.5P285P285-P287 WeakPolarHBondContact O-CD 3.45Å
288L45.4Very low51.1Low152 Ų152121.3 Ų121.380%0.79664%0.644SS**THydrogen-bonded Turntrans-130.25.6-180-66.3175.4000113.7N286 P290N286-L288 PolarHBondContact O-N 2.76Å; L288-P290 WeakPolarHBondContact O-CD 3.4Å
289D45.3Very low53.1Low108 Ų108111.9 Ų111.958%0.57861%0.609SS**  trans-91.3117.6167.9-82.3-53.8000110.3N286 Q291N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.32Å; N286-D289 WeakPolarHBondContact CB-OD2 3.01Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.93Å; D289-Q291 PolarHBondContact O-N 2.95Å; D289-Q291 VanDerWaalsContact O-N 3.15Å
290P45.5Very low54.9Low117 Ų117104.6 Ų104.676%0.7658%0.576SS**  trans-67.4107.9163.1-12.628.9000107.9L288 D292L288-P290 WeakPolarHBondContact O-CD 3.4Å; P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 3.36Å; P290-D292 VanDerWaalsContact O-N 3.13Å
291Q47.3Very low57Low167 Ų16794.7 Ų94.778%0.7854%0.538SS*.SBendtrans-72.5-13.2-157.6-152.9170.39.900115.4D289D289-Q291 PolarHBondContact O-N 2.95Å; D289-Q291 VanDerWaalsContact O-N 3.15Å
292D41.6Very low58.9Low137 Ų13787.7 Ų87.773%0.73351%0.512SS*.  trans-143.5127.5167.9-79.9-65.1000110P290 S294P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 3.36Å; P290-D292 VanDerWaalsContact O-N 3.13Å; D292-S294 PolarHBondContact O-N 3.2Å
293P46.3Very low61.4Low115 Ų11581.8 Ų81.875%0.74749%0.485SS*.  trans-79.175.9162.433.3-32.1000108.9
294S46.7Very low63.6Low48 Ų4875 Ų7534%0.33644%0.441SS..  trans-61.9144.3177.671.10000110.8D292 D296 A297D292-S294 PolarHBondContact O-N 3.2Å; S294-D296 PolarHBondContact O-N 3.42Å; S294-D296 VanDerWaalsContact O-N 3.14Å; S294-A297 WeakPolarHBondContact O-CB 3.17Å; S294-A297 PolarHBondContact O-N 2.88Å
295P50.9Low65.7Low95 Ų9572.7 Ų72.762%0.61742%0.417SS*.G310 helixtrans-61.2-23.8178.425-33.8000112.2L157 A297 Y298L157-P295 WeakPolarHBondContact CD1-O 3.29Å; P295-A297 PolarHBondContact O-N 2.81Å; P295-A297 VanDerWaalsContact O-N 3.15Å; P295-Y298 PolarHBondContact O-N 3.3Å
296D51.9Low67.7Low122 Ų12268 Ų6865%0.65239%0.386SS*.G310 helixtrans-65.3-10174.1-41.3-75.7000113.9S76 S294 Y298S76-D296 WeakPolarHBondContact CB-O 3.35Å; S76-D296 PolarHBondContact OG-O 2.89Å; S294-D296 PolarHBondContact O-N 3.42Å; S294-D296 VanDerWaalsContact O-N 3.14Å; D296-Y298 VanDerWaalsContact C-N 3.27Å; D296-Y298 PolarHBondContact O-N 2.86Å
297A65.7Low69.6Low35 Ų3568 Ų6829%0.28940%0.397SS..G310 helixtrans-75.2-12.1178.300000113.8S76 S294 P295S76-A297 PolarHBondContact N-O 2.96Å; S76-A297 VanDerWaalsContact OG-C 3.26Å; S76-A297 WeakPolarHBondContact OG-CA 3.48Å; S76-A297 PolarHBondContact OG-O 3.35Å; S294-A297 WeakPolarHBondContact O-CB 3.17Å; S294-A297 PolarHBondContact O-N 2.88Å; P295-A297 PolarHBondContact O-N 2.81Å; P295-A297 VanDerWaalsContact O-N 3.15Å
298Y81.6Confident71.4Confident93 Ų9366.2 Ų66.237%0.36538%0.381SS..EExtended strand (participates in β ladder)trans-128.8157.3-175.6-60.3-76.4000113W73 V74 P295 D296W73-Y298 HydrophobicContact CB-CD1 4.49Å; W73-Y298 HydrophobicContact CE3-CD2 4.23Å; W73-Y298 HydrophobicContact CE3-CG 4.15Å; W73-Y298 WeakPolarHBondContact O-CD1 3.29Å; V74-Y298 CarbonylContact O-C 3.48Å; V74-Y298 VanDerWaalsContact O-CA 3.32Å; V74-Y298 WeakPolarHBondContact O-CA 3.32Å; P295-Y298 PolarHBondContact O-N 3.3Å; D296-Y298 VanDerWaalsContact C-N 3.27Å; D296-Y298 PolarHBondContact O-N 2.86Å
299C88.4Confident73.5Confident7 Ų765.2 Ų65.25%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-147.4168.5177.666.30000109.8V74 K154 T155V74-C299 WeakPolarHBondContact CB-O 3.46Å; V74-C299 PolarHBondContact N-O 2.92Å; V74-C299 PolarHBondContact O-N 3.27Å; V74-C299 PolarHBondContact O-SG 3.11Å; K154-C299 VanDerWaalsContact CE-SG 3.56Å; T155-C299 WeakPolarHBondContact O-CB 3.27Å
300N91.6Very high75.7Confident5 Ų564.6 Ų64.63%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-108.7151.3175.4-68.1-7.2000110.3H70 L71 T72 T155 L157 V159H70-N300 PolarHBondContact CE1-ND2 3.42Å; H70-N300 WeakPolarHBondContact NE2-CB 3.3Å; H70-N300 PolarHBondContact NE2-ND2 2.71Å; L71-N300 CarbonylContact O-C 3.59Å; L71-N300 VanDerWaalsContact O-CA 3.31Å; L71-N300 WeakPolarHBondContact O-CA 3.19Å; T72-N300 WeakPolarHBondContact CA-OD1 3.2Å; T155-N300 PolarHBondContact N-O 2.71Å; T155-N300 PolarHBondContact O-N 2.82Å; T155-N300 WeakPolarHBondContact OG1-CB 3.45Å; L157-N300 WeakPolarHBondContact CD2-OD1 3.25Å; V159-N300 PolarHBondContact O-ND2 3.15Å
301L92.9Very high77.9Confident2 Ų260.2 Ų60.21%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-121.1120.1171.2-58.8-179.1000110.4L71 V74 L78 L86 L89 V152 L153 K154 I303L71-L301 HydrophobicContact CB-CB 4.36Å; L71-L301 PolarHBondContact N-O 2.74Å; L71-L301 PolarHBondContact O-N 3.25Å; V74-L301 HydrophobicContact CB-CG 4.32Å; V74-L301 HydrophobicContact CG1-CD1 4.04Å; V74-L301 HydrophobicContact CG1-CG 4.15Å; V74-L301 HydrophobicContact CG2-CD1 4.12Å; V74-L301 HydrophobicContact CG2-CG 4.08Å; L78-L301 HydrophobicContact CD2-CD1 3.83Å; L78-L301 HydrophobicContact CD2-CD2 4.33Å; L86-L301 HydrophobicContact CD2-CD1 4.33Å; L89-L301 HydrophobicContact CD1-CD1 4.42Å; L89-L301 HydrophobicContact CD2-CD1 3.93Å; V152-L301 HydrophobicContact CG1-CB 4.36Å; V152-L301 HydrophobicContact CG1-CD2 4.13Å; L153-L301 WeakPolarHBondContact O-CA 3.31Å; K154-L301 HydrophobicContact CB-CD2 3.93Å; K154-L301 HydrophobicContact CG-CD2 3.99Å; L301-I303 HydrophobicContact CB-CD1 3.72Å
302V94.3Very high80Confident1 Ų152.3 Ų52.31%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-91.8119170-179.80000108.3F67 L130 I132 L153 L304F67-V302 HydrophobicContact CE2-CG1 4.28Å; L130-V302 HydrophobicContact CD1-CG1 3.99Å; L130-V302 HydrophobicContact CD1-CG2 4.13Å; I132-V302 HydrophobicContact CD1-CB 4.44Å; I132-V302 HydrophobicContact CD1-CG1 4.42Å; I132-V302 HydrophobicContact CD1-CG2 3.91Å; L153-V302 HydrophobicContact CB-CB 4.28Å; L153-V302 PolarHBondContact N-O 2.82Å; L153-V302 PolarHBondContact O-N 3.43Å; V302-L304 HydrophobicContact CG1-CD2 4.15Å; V302-L304 HydrophobicContact CG1-CG 4.25Å
303I94.8Very high82.3Confident1 Ų147.8 Ų47.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-104.4111.6-174.3-45.5-52.6000109.7L68 G69 L71 L90 L99 V152 L301L68-I303 HydrophobicContact CB-CB 4.33Å; L68-I303 HydrophobicContact CB-CG2 4.11Å; L68-I303 HydrophobicContact CD1-CG2 4.12Å; L68-I303 HydrophobicContact CG-CG2 4.44Å; L68-I303 PolarHBondContact N-O 2.86Å; G69-I303 PolarHBondContact N-O 2.87Å; G69-I303 PolarHBondContact O-N 3.47Å; L71-I303 HydrophobicContact CD1-CG1 4.35Å; L71-I303 HydrophobicContact CG-CG1 4.34Å; L90-I303 HydrophobicContact CD2-CD1 3.81Å; L90-I303 HydrophobicContact CD2-CG1 3.91Å; L90-I303 HydrophobicContact CD2-CG2 3.89Å; L99-I303 HydrophobicContact CD1-CG1 4.25Å; L99-I303 HydrophobicContact CD2-CB 4.43Å; L99-I303 HydrophobicContact CD2-CG1 4.3Å; V152-I303 HydrophobicContact CB-CD1 4.49Å; V152-I303 HydrophobicContact CG1-CD1 3.87Å; V152-I303 HydrophobicContact CG2-CD1 3.99Å; L301-I303 HydrophobicContact CB-CD1 3.72Å
304L95.4Very high84.5Confident1 Ų143.3 Ų43.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-113.1146.8177.2-54.9176.8000110.3V65 K66 F67 L111 L120 L150 L151 L153 V302V65-L304 HydrophobicContact CG2-CD1 4.42Å; V65-L304 HydrophobicContact CG2-CD2 4.33Å; K66-L304 CarbonylContact O-C 3.59Å; K66-L304 WeakPolarHBondContact O-CA 3.38Å; F67-L304 HydrophobicContact CD2-CD2 4.02Å; L111-L304 HydrophobicContact CD1-CD1 4.44Å; L111-L304 HydrophobicContact CD2-CD1 3.97Å; L120-L304 HydrophobicContact CD1-CD1 4.48Å; L120-L304 HydrophobicContact CD1-CD2 3.84Å; L120-L304 HydrophobicContact CD2-CD2 3.84Å; L150-L304 CarbonylContact C-O 3.51Å; L150-L304 VanDerWaalsContact CA-O 3.32Å; L150-L304 WeakPolarHBondContact CA-O 3.44Å; L151-L304 HydrophobicContact CB-CB 4.3Å; L151-L304 HydrophobicContact CD2-CD1 4.35Å; L151-L304 PolarHBondContact N-O 3.39Å; L151-L304 WeakPolarHBondContact O-CB 3.41Å; L151-L304 PolarHBondContact O-N 2.92Å; L153-L304 HydrophobicContact CD1-CD1 4.47Å; V302-L304 HydrophobicContact CG1-CD2 4.15Å; V302-L304 HydrophobicContact CG1-CG 4.25Å
305A94.8Very high86.7Confident4 Ų441.1 Ų41.13%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-109.6139.4164.100000110.4V65 K66 L68 T103 H149 L150V65-A305 CarbonylContact C-O 3.51Å; V65-A305 WeakPolarHBondContact CA-O 3.19Å; K66-A305 HydrophobicContact CB-CB 4.3Å; K66-A305 PolarHBondContact N-O 2.76Å; K66-A305 PolarHBondContact O-N 2.95Å; L68-A305 HydrophobicContact CD1-CB 4.14Å; L68-A305 HydrophobicContact CD2-CB 4.08Å; L68-A305 HydrophobicContact CG-CB 4.19Å; T103-A305 HydrophobicContact CG2-CB 4.27Å; H149-A305 CarbonylContact O-C 3.54Å; H149-A305 WeakPolarHBondContact O-CA 3.28Å; L150-A305 HydrophobicContact CD2-CB 3.88Å
306V94.3Very high88.6Confident12 Ų1237 Ų377%0.07320%0.202CC..EExtended strand (participates in β ladder)trans-113.6150.3-179.8-168.70000108.5V65 H149 L151 N308 A311 A312V65-V306 HydrophobicContact CG1-CG2 4.38Å; H149-V306 PolarHBondContact O-N 3.09Å; L151-V306 HydrophobicContact CB-CG2 3.96Å; V306-N308 PolarHBondContact O-N 3.39Å; V306-A311 HydrophobicContact CG1-CB 3.63Å; V306-A312 HydrophobicContact CB-CB 4.15Å; V306-A312 HydrophobicContact CG1-CB 4.34Å; V306-A312 HydrophobicContact CG2-CB 4.16Å
307A91.7Very high90.4Very high83 Ų8332 Ų3269%0.68618%0.178SC*.SBendtrans-64.3-40.9-176.600000113.6
308N91.9Very high91.6Very high86 Ų8630.4 Ų30.446%0.4616%0.164SC..SBendtrans-133156.3-170.2-57.31.2000110.5V306 D310 A311 A312V306-N308 PolarHBondContact O-N 3.39Å; N308-D310 PolarHBondContact O-N 3.25Å; N308-A311 HydrophobicContact CB-CB 4.28Å; N308-A311 PolarHBondContact O-N 3.41Å; N308-A312 PolarHBondContact O-N 3.24Å
309R91.2Very high92.1Very high130 Ų13026 Ų2649%0.49115%0.147SC..Hα-helixtrans-52.4-52.7166.3175.9175.4174.5-156.1-15.1111.8Y142 H149 A311 A312 E313Y142-R309 HydrophobicContact CE1-CG 4.18Å; H149-R309 PolarHBondContact CD2-N 2.97Å; H149-R309 PolarHBondContact NE2-N 2.98Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 3Å; R309-A312 WeakPolarHBondContact O-CA 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.39Å; R309-A312 PolarHBondContact O-N 3.28Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 IonicContact CZ-OE1 3.19Å; R309-E313 IonicContact NE-OE1 3.53Å; R309-E313 PolarHBondContact NE-OE1 3.43Å; R309-E313 IonicContact NE-OE2 3.22Å; R309-E313 IonicContact NH2-OE1 3.75Å; R309-E313 PolarHBondContact NH2-OE1 2.92Å; R309-E313 IonicContact NH2-OE2 2.82Å; R309-E313 PolarHBondContact O-N 2.92Å
310D91.2Very high92.1Very high95 Ų9526.5 Ų26.551%0.50815%0.15SC..Hα-helixtrans-61.6-38-171.8-39.9-28.3000111.4Y49 N308 A312 E313 E314Y49-D310 PolarHBondContact OH-O 3.23Å; N308-D310 PolarHBondContact O-N 3.25Å; D310-A312 VanDerWaalsContact C-N 3.33Å; D310-A312 PolarHBondContact O-N 3.49Å; D310-E313 PolarHBondContact O-N 3.15Å; D310-E314 VanDerWaalsContact O-CB 3.25Å; D310-E314 WeakPolarHBondContact O-CB 3.24Å; D310-E314 PolarHBondContact O-N 3.32Å
311A91.6Very high91.9Very high26 Ų2627.1 Ų27.122%0.21515%0.153CC..Hα-helixtrans-71-25.7175.200000113.1V306 N308 R309 S315V306-A311 HydrophobicContact CG1-CB 3.63Å; N308-A311 HydrophobicContact CB-CB 4.28Å; N308-A311 PolarHBondContact O-N 3.41Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 3Å; A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.48Å; A311-S315 PolarHBondContact O-N 3.18Å; A311-S315 PolarHBondContact O-OG 3.45Å
312A91.3Very high91.7Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-77-41.1171.900000111.3Y142 V306 N308 R309 D310 S315 C316Y142-A312 HydrophobicContact CD2-CB 3.49Å; Y142-A312 VanDerWaalsContact CD2-CB 3.49Å; Y142-A312 HydrophobicContact CE2-CB 3.84Å; Y142-A312 HydrophobicContact CG-CB 4.05Å; V306-A312 HydrophobicContact CB-CB 4.15Å; V306-A312 HydrophobicContact CG1-CB 4.34Å; V306-A312 HydrophobicContact CG2-CB 4.16Å; N308-A312 PolarHBondContact O-N 3.24Å; R309-A312 WeakPolarHBondContact O-CA 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.39Å; R309-A312 PolarHBondContact O-N 3.28Å; D310-A312 VanDerWaalsContact C-N 3.33Å; D310-A312 PolarHBondContact O-N 3.49Å; A312-S315 PolarHBondContact O-N 2.85Å; A312-C316 WeakPolarHBondContact O-CB 3.3Å; A312-C316 PolarHBondContact O-N 3.47Å; A312-C316 PolarHBondContact O-SG 3.15Å
313E90.4Very high91.4Very high42 Ų4227.7 Ų27.720%0.19616%0.155CC..Hα-helixtrans-62.7-42.3172.5-69.2-177.2170.600111.5Y49 Y142 R309 D310 C316 A317Y49-E313 HydrophobicContact CE2-CB 4.04Å; Y142-E313 HydrophobicContact CD1-CG 4.47Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 IonicContact CZ-OE1 3.19Å; R309-E313 IonicContact NE-OE1 3.53Å; R309-E313 PolarHBondContact NE-OE1 3.43Å; R309-E313 IonicContact NE-OE2 3.22Å; R309-E313 IonicContact NH2-OE1 3.75Å; R309-E313 PolarHBondContact NH2-OE1 2.92Å; R309-E313 IonicContact NH2-OE2 2.82Å; R309-E313 PolarHBondContact O-N 2.92Å; D310-E313 PolarHBondContact O-N 3.15Å; E313-C316 PolarHBondContact O-N 3.43Å; E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 2.92Å
314E92.2Very high91Very high22 Ų2233.5 Ų33.510%0.10318%0.183CC..Hα-helixtrans-60.6-48.6172-173.3-169.9-156.200111.7L44 Y49 K63 D310 C316 A317 L318L44-E314 HydrophobicContact CB-CG 4.43Å; L44-E314 WeakPolarHBondContact CB-OE1 3.39Å; L44-E314 HydrophobicContact CD1-CG 3.86Å; L44-E314 WeakPolarHBondContact CD1-OE1 3.42Å; L44-E314 WeakPolarHBondContact CG-OE1 3.44Å; Y49-E314 HydrophobicContact CD1-CB 3.82Å; Y49-E314 HydrophobicContact CD1-CG 3.74Å; Y49-E314 HydrophobicContact CD2-CB 4.5Å; Y49-E314 HydrophobicContact CE1-CB 3.87Å; Y49-E314 HydrophobicContact CE1-CG 4.23Å; Y49-E314 HydrophobicContact CG-CB 4.13Å; Y49-E314 HydrophobicContact CG-CG 4.11Å; K63-E314 WeakPolarHBondContact CE-OE2 3.27Å; K63-E314 IonicContact NZ-OE1 2.68Å; K63-E314 PolarHBondContact NZ-OE1 3.34Å; K63-E314 IonicContact NZ-OE2 3.68Å; K63-E314 PolarHBondContact NZ-OE2 3.1Å; D310-E314 VanDerWaalsContact O-CB 3.25Å; D310-E314 WeakPolarHBondContact O-CB 3.24Å; D310-E314 PolarHBondContact O-N 3.32Å; E314-C316 VanDerWaalsContact C-N 3.32Å; E314-C316 PolarHBondContact O-N 2.75Å; E314-A317 PolarHBondContact O-N 3.32Å; E314-L318 HydrophobicContact CG-CD1 4.43Å; E314-L318 WeakPolarHBondContact O-CG 3.3Å; E314-L318 PolarHBondContact O-N 2.9Å
315S92.9Very high90.4Very high2 Ų234.4 Ų34.41%0.01419%0.187CC..Hα-helixtrans-63.7-37.9179.1-61.60000112.1A311 A312 I319A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.48Å; A311-S315 PolarHBondContact O-N 3.18Å; A311-S315 PolarHBondContact O-OG 3.45Å; A312-S315 PolarHBondContact O-N 2.85Å; S315-I319 WeakPolarHBondContact O-CD1 3.39Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 3.13Å
316C90.5Very high89.8Confident8 Ų835.9 Ų35.95%0.05419%0.194CC..Hα-helixtrans-59.6-59.1168.1-79.40000110.2A312 E313 E314 L318 I319 C320A312-C316 WeakPolarHBondContact O-CB 3.3Å; A312-C316 PolarHBondContact O-N 3.47Å; A312-C316 PolarHBondContact O-SG 3.15Å; E313-C316 PolarHBondContact O-N 3.43Å; E314-C316 VanDerWaalsContact C-N 3.32Å; E314-C316 PolarHBondContact O-N 2.75Å; C316-L318 PolarHBondContact O-N 3.29Å; C316-L318 VanDerWaalsContact O-N 3.1Å; C316-I319 CarbonylContact O-C 3.46Å; C316-I319 WeakPolarHBondContact O-CA 3.46Å; C316-I319 WeakPolarHBondContact O-CB 3.33Å; C316-I319 PolarHBondContact O-N 3.27Å; C316-C320 PolarHBondContact O-N 2.61Å; C316-C320 PolarHBondContact O-SG 3.45Å
317A89.9Confident88.9Confident18 Ų1841.2 Ų41.215%0.14921%0.214CC..Hα-helixtrans-51.3-37.8-176.200000113.4Y49 E313 E314 C320 Q321Y49-A317 HydrophobicContact CD2-CB 3.91Å; Y49-A317 HydrophobicContact CG-CB 4.34Å; E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 2.92Å; E314-A317 PolarHBondContact O-N 3.32Å; A317-C320 VanDerWaalsContact CA-SG 3.51Å; A317-C320 PolarHBondContact O-N 2.93Å; A317-Q321 WeakPolarHBondContact O-CG 3.35Å; A317-Q321 PolarHBondContact O-N 3.15Å; A317-Q321 PolarHBondContact O-NE2 3.14Å; A317-Q321 VanDerWaalsContact O-NE2 3.08Å
318L91.1Very high87.5Confident1 Ų139 Ų391%0.00520%0.199CC..Hα-helixtrans-66.9-41.4174.1-69.8176.1000113.2L44 I51 L113 E314 C316 Q321 V322L44-L318 HydrophobicContact CD1-CD1 4Å; L44-L318 HydrophobicContact CD1-CD2 3.7Å; L44-L318 HydrophobicContact CD1-CG 4.06Å; I51-L318 HydrophobicContact CB-CD2 4.44Å; I51-L318 HydrophobicContact CD1-CD2 3.38Å; I51-L318 HydrophobicContact CG1-CD2 3.77Å; L113-L318 HydrophobicContact CD1-CB 3.75Å; L113-L318 HydrophobicContact CD1-CD1 3.68Å; L113-L318 HydrophobicContact CD1-CG 4.37Å; E314-L318 HydrophobicContact CG-CD1 4.43Å; E314-L318 WeakPolarHBondContact O-CG 3.3Å; E314-L318 PolarHBondContact O-N 2.9Å; C316-L318 PolarHBondContact O-N 3.29Å; C316-L318 VanDerWaalsContact O-N 3.1Å; L318-Q321 PolarHBondContact O-N 2.78Å; L318-V322 WeakPolarHBondContact O-CG2 3.2Å; L318-V322 PolarHBondContact O-N 3.19Å
319I91.3Very high85.4Confident1 Ų142.3 Ų42.31%0.00522%0.217CC..Hα-helixtrans-67.4-36.9174.7-65167000110.6L113 L118 A140 L153 S315 C316 V322 F323L113-I319 HydrophobicContact CD2-CD1 4.38Å; L113-I319 HydrophobicContact CD2-CG1 4.1Å; L118-I319 HydrophobicContact CD1-CD1 4.13Å; L118-I319 HydrophobicContact CD1-CG1 4.28Å; A140-I319 HydrophobicContact CB-CB 4.47Å; A140-I319 HydrophobicContact CB-CD1 4.26Å; A140-I319 HydrophobicContact CB-CG2 3.87Å; L153-I319 HydrophobicContact CD2-CD1 3.8Å; S315-I319 WeakPolarHBondContact O-CD1 3.39Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 3.13Å; C316-I319 CarbonylContact O-C 3.46Å; C316-I319 WeakPolarHBondContact O-CA 3.46Å; C316-I319 WeakPolarHBondContact O-CB 3.33Å; C316-I319 PolarHBondContact O-N 3.27Å; I319-V322 PolarHBondContact O-N 3.31Å; I319-F323 HydrophobicContact CG2-CD2 4.14Å; I319-F323 HydrophobicContact CG2-CE1 4.12Å; I319-F323 HydrophobicContact CG2-CE2 3.54Å; I319-F323 HydrophobicContact CG2-CZ 3.53Å; I319-F323 WeakPolarHBondContact O-CD2 3.47Å; I319-F323 WeakPolarHBondContact O-CG 3.19Å; I319-F323 PolarHBondContact O-N 2.97Å
320C88.1Confident83.3Confident17 Ų1745.8 Ų45.812%0.11524%0.238CC..Hα-helixtrans-63.6-42173.5-24.90000111.7C199 C316 A317 F323 Q324C199-C320 HydrophobicContact CB-CB 3.82Å; C199-C320 WeakPolarHBondContact CB-SG 3.33Å; C199-C320 WeakPolarHBondContact SG-CB 3.26Å; C199-C320 CovalentContact SG-SG 2.01Å; C199-C320 PolarHBondContact SG-SG 2.83Å; C316-C320 PolarHBondContact O-N 2.61Å; C316-C320 PolarHBondContact O-SG 3.45Å; A317-C320 VanDerWaalsContact CA-SG 3.51Å; A317-C320 PolarHBondContact O-N 2.93Å; C320-F323 PolarHBondContact O-N 2.56Å; C320-Q324 WeakPolarHBondContact O-CG 3.49Å; C320-Q324 PolarHBondContact O-N 2.99Å
321Q88.7Confident81Confident18 Ų1845 Ų458%0.08424%0.24CC..Hα-helixtrans-63.9-41.8174.7-76.2168.984.300111.5Y49 L56 A317 L318 F323 Q324 I325Y49-Q321 PolarHBondContact O-NE2 3.43Å; L56-Q321 HydrophobicContact CD1-CB 4.3Å; A317-Q321 WeakPolarHBondContact O-CG 3.35Å; A317-Q321 PolarHBondContact O-N 3.15Å; A317-Q321 PolarHBondContact O-NE2 3.14Å; A317-Q321 VanDerWaalsContact O-NE2 3.08Å; L318-Q321 PolarHBondContact O-N 2.78Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.4Å; Q321-Q324 PolarHBondContact O-N 3.15Å; Q321-I325 VanDerWaalsContact O-CG1 3.3Å; Q321-I325 WeakPolarHBondContact O-CG1 3.4Å; Q321-I325 PolarHBondContact O-N 2.99Å
322V89.3Confident78.9Confident1 Ų148.3 Ų48.31%0.00625%0.253CS..Hα-helixtrans-58.3-44.1171.8163.60000111.5L56 T134 L318 I319 Q324 I325 I326L56-V322 HydrophobicContact CD1-CG2 4.01Å; L56-V322 HydrophobicContact CD2-CG2 4.08Å; L56-V322 HydrophobicContact CG-CG2 4.44Å; T134-V322 HydrophobicContact CG2-CG1 3.6Å; L318-V322 WeakPolarHBondContact O-CG2 3.2Å; L318-V322 PolarHBondContact O-N 3.19Å; I319-V322 PolarHBondContact O-N 3.31Å; V322-Q324 PolarHBondContact O-N 2.74Å; V322-I325 PolarHBondContact O-N 2.73Å; V322-I326 HydrophobicContact CG1-CD1 3.63Å; V322-I326 WeakPolarHBondContact O-CD1 3.48Å; V322-I326 VanDerWaalsContact O-CG1 3.27Å; V322-I326 WeakPolarHBondContact O-CG1 3.17Å; V322-I326 PolarHBondContact O-N 3.16Å; V322-I326 VanDerWaalsContact O-N 3.15Å
323F87.1Confident76.4Confident13 Ų1357 Ų576%0.05729%0.294CS..Hα-helixtrans-64.5-37.5174.6-64-29.1000112.9I137 L201 I319 C320 Q321 I325 I326 Y327I137-F323 HydrophobicContact CB-CE1 4Å; I137-F323 HydrophobicContact CB-CZ 3.85Å; I137-F323 HydrophobicContact CG2-CE1 4.4Å; I137-F323 HydrophobicContact CG2-CZ 3.75Å; L201-F323 HydrophobicContact CD1-CB 4.19Å; I319-F323 HydrophobicContact CG2-CD2 4.14Å; I319-F323 HydrophobicContact CG2-CE1 4.12Å; I319-F323 HydrophobicContact CG2-CE2 3.54Å; I319-F323 HydrophobicContact CG2-CZ 3.53Å; I319-F323 WeakPolarHBondContact O-CD2 3.47Å; I319-F323 WeakPolarHBondContact O-CG 3.19Å; I319-F323 PolarHBondContact O-N 2.97Å; C320-F323 PolarHBondContact O-N 2.56Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.4Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 2.95Å; F323-I326 PolarHBondContact O-N 3.12Å; F323-Y327 HydrophobicContact CB-CD2 4.11Å; F323-Y327 HydrophobicContact CD1-CD2 4.45Å; F323-Y327 HydrophobicContact CD1-CE2 4.07Å; F323-Y327 WeakPolarHBondContact O-CB 3.28Å; F323-Y327 WeakPolarHBondContact O-CD2 3.35Å; F323-Y327 PolarHBondContact O-N 3.42Å
324Q85.6Confident74Confident123 Ų12359.5 Ų59.558%0.57532%0.315SS*.Hα-helixtrans-64.2-33.3174.6-71.7167.22.800112.4C320 Q321 V322 G328C320-Q324 WeakPolarHBondContact O-CG 3.49Å; C320-Q324 PolarHBondContact O-N 2.99Å; Q321-Q324 PolarHBondContact O-N 3.15Å; V322-Q324 PolarHBondContact O-N 2.74Å; Q324-G328 VanDerWaalsContact O-CA 3.28Å; Q324-G328 WeakPolarHBondContact O-CA 3.47Å; Q324-G328 PolarHBondContact O-N 2.89Å
325I83.8Confident71.6Confident21 Ų2163.4 Ų63.411%0.10834%0.34CS..Hα-helixtrans-72-29.7175.5-66.6163.4000112.1P53 L56 L57 A115 Q321 V322 F323P53-I325 HydrophobicContact CB-CD1 3.73Å; P53-I325 HydrophobicContact CB-CG1 4.04Å; P53-I325 HydrophobicContact CG-CD1 4.4Å; L56-I325 HydrophobicContact CB-CD1 4.03Å; L56-I325 HydrophobicContact CD1-CD1 3.81Å; L57-I325 HydrophobicContact CD1-CG2 4.36Å; L57-I325 HydrophobicContact CD2-CG2 3.71Å; L57-I325 HydrophobicContact CG-CG2 4.08Å; A115-I325 HydrophobicContact CB-CG2 4.42Å; Q321-I325 VanDerWaalsContact O-CG1 3.3Å; Q321-I325 WeakPolarHBondContact O-CG1 3.4Å; Q321-I325 PolarHBondContact O-N 2.99Å; V322-I325 PolarHBondContact O-N 2.73Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 2.95Å
326I82.1Confident68.9Low34 Ų3471.4 Ų71.417%0.17438%0.383CS..Hα-helixtrans-91.9-33.6-176.6-62.2161.8000112.5A115 T134 V322 F323 I332A115-I326 WeakPolarHBondContact O-CD1 3.09Å; T134-I326 HydrophobicContact CG2-CD1 4.09Å; T134-I326 WeakPolarHBondContact OG1-CD1 3.34Å; V322-I326 HydrophobicContact CG1-CD1 3.63Å; V322-I326 WeakPolarHBondContact O-CD1 3.48Å; V322-I326 VanDerWaalsContact O-CG1 3.27Å; V322-I326 WeakPolarHBondContact O-CG1 3.17Å; V322-I326 PolarHBondContact O-N 3.16Å; V322-I326 VanDerWaalsContact O-N 3.15Å; F323-I326 PolarHBondContact O-N 3.12Å; I326-I332 WeakPolarHBondContact O-CD1 3.47Å
327Y74.3Confident66.2Low125 Ų12581.7 Ų81.749%0.4942%0.42SS..Hα-helixtrans-119.4-1.4-171.6-57-69.8000113.8H135 F323H135-Y327 WeakPolarHBondContact CA-OH 3.4Å; F323-Y327 HydrophobicContact CB-CD2 4.11Å; F323-Y327 HydrophobicContact CD1-CD2 4.45Å; F323-Y327 HydrophobicContact CD1-CE2 4.07Å; F323-Y327 WeakPolarHBondContact O-CB 3.28Å; F323-Y327 WeakPolarHBondContact O-CD2 3.35Å; F323-Y327 PolarHBondContact O-N 3.42Å
328G63.7Low63.5Low35 Ų3583.5 Ų83.536%0.36144%0.435SS..SBendtrans-84.2128.1166.500000110.6Q324Q324-G328 VanDerWaalsContact O-CA 3.28Å; Q324-G328 WeakPolarHBondContact O-CA 3.47Å; Q324-G328 PolarHBondContact O-N 2.89Å
329D48.5Very low60.8Low157 Ų15787.5 Ų87.584%0.8448%0.477SS*.THydrogen-bonded Turntrans-58.6153-176.1-75.4-60.8000114.1
330Q45.6Very low58Low202 Ų20296.7 Ų96.794%0.94451%0.513SS*.THydrogen-bonded Turntrans85.219.7166.3-45.7-172.311.200119.8
331S44.3Very low55.4Low78 Ų78101.8 Ų101.855%0.54554%0.535SS..  trans-129.5-4165.565.50000117.5E333S331-E333 PolarHBondContact O-N 2.96Å; S331-E333 VanDerWaalsContact O-N 3.16Å
332I46.6Very low52.8Low97 Ų97110.1 Ų110.150%0.49757%0.567SS.*  trans-90.852.7177-47.9-176.9000111.2I326 V335I326-I332 WeakPolarHBondContact O-CD1 3.47Å; I332-V335 HydrophobicContact CG2-CB 4.24Å; I332-V335 HydrophobicContact CG2-CG2 3.9Å
333E38.7Very low50.3Low182 Ų182115.8 Ų115.885%0.8560%0.602SS**SBendtrans-90.6117.5147.6-72.4-161.4164.300107.3S331S331-E333 PolarHBondContact O-N 2.96Å; S331-E333 VanDerWaalsContact O-N 3.16Å
334C39.8Very low47.6Very low94 Ų94118.9 Ų118.964%0.63563%0.625SS**SBendtrans96.725.7172.394.80000121.9D336 R337C334-D336 VanDerWaalsContact C-N 3.29Å; C334-R337 HydrophobicContact CB-CB 3.65Å
335V41.8Very low45.3Very low104 Ų104117.6 Ų117.663%0.6363%0.625SS**SBendtrans-65.5-39.9147.61740000109.9I332 R337I332-V335 HydrophobicContact CG2-CB 4.24Å; I332-V335 HydrophobicContact CG2-CG2 3.9Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 2.83Å
336D37.1Very low43.3Very low171 Ų171120.5 Ų120.591%0.91465%0.646SS**THydrogen-bonded Turntrans-854.5-175.6-118.60.3000115.3C334 A338C334-D336 VanDerWaalsContact C-N 3.29Å; D336-A338 VanDerWaalsContact C-N 3.31Å
337R32.5Very low41.1Very low223 Ų223127.1 Ų127.184%0.84268%0.676SS**THydrogen-bonded Turntrans-89.94176.8-150.8179.417989.22.1113C334 V335C334-R337 HydrophobicContact CB-CB 3.65Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 2.83Å
338A34.8Very low39.9Very low56 Ų56122.3 Ų122.346%0.46366%0.657SS.*  trans-134.390.7-17600000111.2D336 Y340D336-A338 VanDerWaalsContact C-N 3.31Å; A338-Y340 HydrophobicContact CB-CD2 4.02Å; A338-Y340 PolarHBondContact O-N 3.22Å
339G33.9Very low38.8Very low85 Ų85125.3 Ų125.388%0.87667%0.67SS**  trans-67.731.616400000113.8H341G339-H341 PolarHBondContact O-N 2.93Å
340Y32.2Very low38.6Very low195 Ų195121.7 Ų121.777%0.76564%0.644SS**  trans-92.190.3-175.6-79.3-89.5000110.5A338A338-Y340 HydrophobicContact CB-CD2 4.02Å; A338-Y340 PolarHBondContact O-N 3.22Å
341H33.8Very low38.3Very low124 Ų124116 Ų11657%0.57462%0.62SS**  trans53.678.7150-58.7-75.2000117.5G339 T343 S344G339-H341 PolarHBondContact O-N 2.93Å; H341-T343 PolarHBondContact O-N 3.06Å; H341-S344 PolarHBondContact O-N 3.15Å; H341-S344 VanDerWaalsContact O-N 3.16Å
342Y34.6Very low37.9Very low192 Ų192116.1 Ų116.175%0.75362%0.62SS**THydrogen-bonded Turntrans-56.2-10.1160.2-95.7-92.2000114.5
343T34.8Very low37.3Very low121 Ų121116 Ų11674%0.74263%0.628SS**THydrogen-bonded Turntrans-79.1-15177.351.60000114.6H341H341-T343 PolarHBondContact O-N 3.06Å
344S30.4Very low37.3Very low77 Ų77118.8 Ų118.854%0.53863%0.631SS.*PPolyproline II helixtrans-96.6118.6-175.4-590000111.3H341H341-S344 PolarHBondContact O-N 3.15Å; H341-S344 VanDerWaalsContact O-N 3.16Å
345T38.3Very low37.3Very low96 Ų96119.6 Ų119.659%0.58963%0.633SS**PPolyproline II helixtrans-60.7146.815440.80000108.8E347T345-E347 PolarHBondContact O-N 3.13Å
346P41.8Very low36.9Very low83 Ų83122.5 Ų122.554%0.53964%0.642SS.*PPolyproline II helixtrans-60128175.725.3-33.4000109R348P346-R348 PolarHBondContact O-N 3.13Å
347E35.7Very low36.5Very low173 Ų173118.7 Ų118.781%0.80863%0.634SS**  trans-61.2110.7-178.4-71.3-162.2151.800109.9T345 P349T345-E347 PolarHBondContact O-N 3.13Å; E347-P349 VanDerWaalsContact O-CD 3.29Å; E347-P349 WeakPolarHBondContact O-CD 3.47Å
348R50Low36.6Very low24 Ų24113.4 Ų113.49%0.09163%0.628CS.*  trans-90.6102.9174-72.5173.8170.1-162.3-6.4107.4P346 W350 L351 C352P346-R348 PolarHBondContact O-N 3.13Å; R348-W350 HydrophobicContact CB-CD2 4.37Å; R348-W350 HydrophobicContact CB-CZ2 4.14Å; R348-W350 HydrophobicContact CG-CZ2 4.07Å; R348-W350 PolarHBondContact O-N 3.05Å; R348-L351 HydrophobicContact CB-CB 4.16Å; R348-L351 HydrophobicContact CB-CD1 3.88Å; R348-L351 HydrophobicContact CG-CD1 4.36Å; R348-L351 WeakPolarHBondContact O-CB 3.32Å; R348-L351 PolarHBondContact O-N 3.05Å; R348-C352 PolarHBondContact O-N 3.37Å
349P39.8Very low36.6Very low97 Ų97122.5 Ų122.563%0.6365%0.651SS**Hα-helixtrans-62.4-27.3-167.8-24.436.2000113.5E347 S353E347-P349 VanDerWaalsContact O-CD 3.29Å; E347-P349 WeakPolarHBondContact O-CD 3.47Å; P349-S353 PolarHBondContact O-OG 3.45Å
350W44.9Very low36.6Very low81 Ų81124.2 Ų124.231%0.30764%0.644SS.*Hα-helixtrans-72.6-22.3176.450-97.7000114Y60 E126 R348Y60-W350 PolarHBondContact OH-NE1 3.49Å; E126-W350 VanDerWaalsContact OE1-CH2 3.3Å; E126-W350 WeakPolarHBondContact OE1-CH2 3.41Å; E126-W350 WeakPolarHBondContact OE1-CZ3 3.46Å; E126-W350 WeakPolarHBondContact OE2-CZ3 3.33Å; R348-W350 HydrophobicContact CB-CD2 4.37Å; R348-W350 HydrophobicContact CB-CZ2 4.14Å; R348-W350 HydrophobicContact CG-CZ2 4.07Å; R348-W350 PolarHBondContact O-N 3.05Å
351L37.7Very low36.6Very low83 Ų83120.2 Ų120.244%0.43564%0.643SS.*Hα-helixtrans-80.6-41.3173-97.8151.4000112R348 S353 R354R348-L351 HydrophobicContact CB-CB 4.16Å; R348-L351 HydrophobicContact CB-CD1 3.88Å; R348-L351 HydrophobicContact CG-CD1 4.36Å; R348-L351 WeakPolarHBondContact O-CB 3.32Å; R348-L351 PolarHBondContact O-N 3.05Å; L351-S353 PolarHBondContact O-N 2.93Å; L351-S353 VanDerWaalsContact O-N 3.12Å; L351-R354 PolarHBondContact O-N 2.82Å
352C35.7Very low36.5Very low80 Ų80122.6 Ų122.654%0.54166%0.659SS.*Hα-helixtrans-62-20.9176.8-60.80000113.1R348 R354R348-C352 PolarHBondContact O-N 3.37Å; C352-R354 PolarHBondContact O-N 3.16Å
353S35.8Very low36.3Very low96 Ų96122.8 Ų122.867%0.67166%0.663SS**THydrogen-bonded Turntrans-65.2-7-177.6-64.90000115.2P349 L351P349-S353 PolarHBondContact O-OG 3.45Å; L351-S353 PolarHBondContact O-N 2.93Å; L351-S353 VanDerWaalsContact O-N 3.12Å
354R38Very low36Very low239 Ų239126 Ų12690%0.90267%0.669SS**THydrogen-bonded Turntrans-91.7-14.7-176.4-128.8179.3-149.2-151.47.9115.9L351 C352L351-R354 PolarHBondContact O-N 2.82Å; C352-R354 PolarHBondContact O-N 3.16Å
355T40.3Very low36.1Very low112 Ų112128.2 Ų128.269%0.68768%0.679SS**SBendtrans-107.8-17.9-164.3-46.20000114.4
356M31.8Very low35.6Very low164 Ų164130.5 Ų130.581%0.80869%0.694SS**  trans-12871.2-177.1-72.2-65.6163.500112.7P358M356-P358 WeakPolarHBondContact O-CD 3.15Å
357A30.1Very low35Very low91 Ų91130.9 Ų130.975%0.75270%0.704SS**  trans-76117.116300000109.7R359A357-R359 PolarHBondContact O-N 3.03Å
358P34.8Very low34.7Very low112 Ų112127.6 Ų127.673%0.72771%0.706SS**  trans-67.6119.6179.5-18.432.4000110.5M356 T360M356-P358 WeakPolarHBondContact O-CD 3.15Å; P358-T360 VanDerWaalsContact C-N 3.3Å; P358-T360 PolarHBondContact O-N 3.38Å
359R34.5Very low33.7Very low247 Ų247137.6 Ų137.693%0.93274%0.744SS**  trans-72.783.5171.8-71.6-178.5176.2169.4-0.9109.9A357 P361A357-R359 PolarHBondContact O-N 3.03Å; R359-P361 WeakPolarHBondContact O-CD 3.48Å
360T33.3Very low33.6Very low121 Ų121138.6 Ų138.674%0.74275%0.75SS**PPolyproline II helixtrans-69.2123171.946.10000109.9P358 L362P358-T360 VanDerWaalsContact C-N 3.3Å; P358-T360 PolarHBondContact O-N 3.38Å; T360-L362 PolarHBondContact O-N 3.02Å
361P31.5Very low32.9Very low112 Ų112143.6 Ų143.673%0.72778%0.777SS**PPolyproline II helixtrans-74.6124.8-179.828.6-33000110.6R359 K363R359-P361 WeakPolarHBondContact O-CD 3.48Å; P361-K363 PolarHBondContact O-N 2.73Å
362L32.4Very low32.7Very low174 Ų174147.6 Ų147.691%0.91180%0.797SS**PPolyproline II helixtrans-56129.6170-74162.3000110.4T360T360-L362 PolarHBondContact O-N 3.02Å
363K30.6Very low32.4Very low196 Ų196151.3 Ų151.385%0.85281%0.811SS**  trans-123143.5162.8-75.9-169.2174.6-176.90109.6P361P361-K363 PolarHBondContact O-N 2.73Å
364H28.8Very low32.1Very low187 Ų187155 Ų15587%0.86682%0.815SS**  trans-76.5158.6-165.5-105.7-113.2000114.5
365V31.4Very low31.8Very low124 Ų124149 Ų14975%0.75281%0.806SS**  trans-58139.1176.6176.40000112.8A367V365-A367 HydrophobicContact CG1-CB 4.5Å
366T28.3Very low31.3Very low145 Ų145148 Ų14889%0.8981%0.808SS**  trans-127.4132.3143.5-53.60000107.9
367A30.7Very low31.9Very low91 Ų91145.6 Ų145.675%0.75281%0.805SS**  trans-99143.4-175.300000112.6V365V365-A367 HydrophobicContact CG1-CB 4.5Å
368A27.9Very low32.1Very low103 Ų103147.7 Ų147.785%0.85181%0.809SS**  trans-135.7152.7165.500000109.6
369R29.5Very low31.9Very low235 Ų235147.5 Ų147.589%0.88782%0.817SS**  trans-85.4156.2-171-87177.4166.5170.8-5.5113.3
370P38.4Very low31.8Very low117 Ų117140.8 Ų140.876%0.7681%0.814SS**  trans-80.715517934.3-36.2000112.5
371H30.5Very low31.7Very low187 Ų187139.7 Ų139.787%0.86682%0.817SS**  trans-126.7147.7161.1-76.5-84.4000110.1
372L31.9Very low31.6Very low166 Ų166139.1 Ų139.187%0.86982%0.822SS**  trans-90.1-170.3-177.8-78161000111.5
373L31Very low31.6Very low158 Ų158137.4 Ų137.483%0.82782%0.819SS**  trans87.8135.4178.2-50.8177.1000113.3
374F27.8Very low31.7Very low173 Ų173134.3 Ų134.376%0.75982%0.816SS**  cis-158.6163.8-7.7-153.2-132.5000111.4
375T31.8Very low31.7Very low115 Ų115129.3 Ų129.371%0.70681%0.807SS**  trans49.4125.2158390000122
376A31Very low31.5Very low89 Ų89129.8 Ų129.874%0.73681%0.811SS**  trans-84.9179.3148.800000110.1
377P44.9Very low31.5Very low115 Ų115134.1 Ų134.175%0.74781%0.811SS**  -14916474.641.6-23.5000117.5
378T32.4Very low31.3Very low135 Ų135134.1 Ų134.183%0.82881%0.811SS**  trans13.1126.9152.157.50000121.7
379A31.8Very low31.2Very low108 Ų108141.5 Ų141.589%0.89382%0.817SS**  -144.6137.5124.100000109.3
380A31.6Very low30.9Very low105 Ų105134.7 Ų134.787%0.86881%0.806SS**  trans-121.4133.2176.500000109.8
381A31.2Very low30.4Very low99 Ų99134.4 Ų134.482%0.81881%0.806SS**  trans-144.992.3175.300000109.6
382A29.8Very low30.2Very low100 Ų100135.2 Ų135.283%0.82680%0.803SS**  trans-98.5113.2171.100000109.1
383T32.6Very low29.8Very low137 Ų137138.4 Ų138.484%0.8480%0.804SS**  trans-109.388.1178.635.40000111A385T383-A385 PolarHBondContact O-N 3.45Å; T383-A385 VanDerWaalsContact O-N 3.16Å
384T31.6Very low29.7Very low131 Ų131137.7 Ų137.780%0.80480%0.799SS**  trans-72.899.5169.849.10000110.5V386T384-V386 PolarHBondContact O-N 3.01Å
385A29.5Very low29.5Very low82 Ų82135.4 Ų135.468%0.67880%0.799SS**  trans-85.189.917400000111.1T383 W387T383-A385 PolarHBondContact O-N 3.45Å; T383-A385 VanDerWaalsContact O-N 3.16Å; A385-W387 PolarHBondContact O-N 2.68Å
386V27.5Very low29.2Very low135 Ų135141.4 Ų141.482%0.81881%0.809SS**PPolyproline II helixtrans-72118167.61770000108.6T384T384-V386 PolarHBondContact O-N 3.01Å
387W28.3Very low28.8Very low235 Ų235142 Ų14289%0.8981%0.808SS**PPolyproline II helixtrans-101.5126.4170.1-83.569.3000110.2A385A385-W387 PolarHBondContact O-N 2.68Å
388A27Very low27.9Very low92 Ų92148.6 Ų148.676%0.7682%0.818SS**PPolyproline II helixtrans-80.2140.3-174.800000111.9S390A388-S390 PolarHBondContact O-N 3.2Å
389W24.4Very low27.6Very low257 Ų257148.1 Ų148.197%0.97382%0.819SS**PPolyproline II helixtrans-65121164.4-103.5-27.3000109.8
390S24.2Very low27.2Very low93 Ų93146.5 Ų146.565%0.6581%0.812SS**PPolyproline II helixtrans-101116.9162.9-171.60000109.3A388 Y392A388-S390 PolarHBondContact O-N 3.2Å; S390-Y392 PolarHBondContact O-N 3.3Å
391S27.2Very low27Very low110 Ų110147.5 Ų147.577%0.76981%0.808SS**  trans-86.393.2-171.8-600000112.3R393S391-R393 PolarHBondContact O-N 3.29Å
392Y26.1Very low26.6Very low204 Ų204148 Ų14880%0.881%0.805SS**  trans-79.1100.2167.8-79.6-79.8000111.3S390 I394S390-Y392 PolarHBondContact O-N 3.3Å; Y392-I394 PolarHBondContact O-N 3.07Å
393R25Very low26.6Very low234 Ų234154.6 Ų154.688%0.88381%0.809SS**  trans-69.8119.9161.3-73.7-174.7178.4-174.21109S391S391-R393 PolarHBondContact O-N 3.29Å
394I27.8Very low26.2Very low143 Ų143150.9 Ų150.973%0.73380%0.798SS**  trans-114.1104159.4-63.7179.6000107.5Y392Y392-I394 PolarHBondContact O-N 3.07Å
395T23.9Very low26.3Very low124 Ų124150.9 Ų150.976%0.76180%0.8SS**  trans-83.2119.2169.347.80000108.9
396W25.1Very low26.1Very low242 Ų242153.1 Ų153.192%0.91781%0.811SS**  trans-106.6121.3166-106.258.7000110.8
397S23.9Very low26Very low102 Ų102158.5 Ų158.571%0.71382%0.816SS**  trans-87.1134-174.750.20000111.9C399S397-C399 PolarHBondContact O-N 3.4Å; S397-C399 VanDerWaalsContact O-N 3.12Å
398R24.9Very low25.9Very low252 Ų252153 Ų15395%0.95181%0.814SS**  trans-59.1104.5175.8178.7-171-175.1-177.22.9112.4
399C26.1Very low25.8Very low125 Ų125153.4 Ų153.485%0.84581%0.811SS**  trans-119.2115.8160.4-75.70000108.8S397S397-C399 PolarHBondContact O-N 3.4Å; S397-C399 VanDerWaalsContact O-N 3.12Å
400G23.8Very low25.9Very low74 Ų74148 Ų14876%0.76380%0.801SS**  trans-117.8134.1175.300000110.5
401V27Very low26.1Very low127 Ų127151.8 Ų151.877%0.7781%0.813SS**  trans-133.2122.8169.7-176.60000107.9
402S24.1Very low26Very low109 Ų109154.6 Ų154.676%0.76281%0.814SS**  trans-89.4138.3179.353.80000111.6
403W28.6Very low25.9Very low238 Ų238150.7 Ų150.790%0.90282%0.815SS**  trans-132.9115.9162-81.892.5000111.1
404G24.2Very low26Very low59 Ų59144.2 Ų144.261%0.60880%0.804SS**  trans-89.8163.8164.600000111.1
405P34.1Very low25.9Very low132 Ų132144 Ų14486%0.85781%0.814SS**  trans-81.1153.8-171.633.1-36.2000113.4
406S24.7Very low26Very low128 Ų128141.7 Ų141.790%0.89582%0.815SS**  trans-145.3148163.5-81.50000110.9
407R26.6Very low26.1Very low248 Ų248136 Ų13694%0.93681%0.812SS**  trans-99.9143.2-177.2-55.9172.2173-164.6-2.4110.2
408S24.6Very low26.5Very low121 Ų121138.2 Ų138.285%0.84682%0.822SS**  -176.1147.1120.457.30000114.3
409S26.3Very low26.6Very low100 Ų100129.1 Ų129.170%0.69981%0.806SS**  trans-58.8164.7-179.2-32.10000117.9
410N26.2Very low26.7Very low144 Ų144136 Ų13677%0.7781%0.814SS**  trans67.9120.8150.7-54.8-13.5000119.6
411L27.5Very low26.8Very low172 Ų172136.2 Ų136.290%0.90182%0.816SS**  -164.4172.687.1-126.5100.1000113.2
412H25.9Very low26.8Very low169 Ų169136.4 Ų136.478%0.78282%0.822SS**  trans-83.7147.1177.3-108.2-111.2000113
413C24.5Very low27.5Very low122 Ų122136.8 Ų136.882%0.82482%0.821SS**  trans164.4151.4136.3-94.10000109.7
414C25.9Very low27.5Very low97 Ų97130.2 Ų130.266%0.65581%0.812SS**  cis166.4119.8-23.9-103.70000105.1
415C25.9Very low27.8Very low139 Ų139139 Ų13994%0.93983%0.827SS**  trans57.8136161.7-60.40000121
416G26.4Very low27.7Very low75 Ų75139.1 Ų139.177%0.77383%0.825SS**  trans172.563.8171.200000114.8
417S27.6Very low28.1Very low124 Ų124139.9 Ų139.987%0.86782%0.817SS**  trans-95.6103.4-173-58.80000114.5
418T30.7Very low28.4Very low148 Ų148132.8 Ų132.891%0.90881%0.812SS**  trans-165.6150.7158.322.70000109
419G27.1Very low28.6Very low60 Ų60136 Ų13662%0.61981%0.814SS**  cis158103.5-9.600000113.1
420W28.1Very low28.8Very low271 Ų271135.7 Ų135.7100%1.02782%0.817SS**  trans64.9143.6169.1-66.964000117.9
421G27Very low29.3Very low77 Ų77138.7 Ų138.779%0.79485%0.847SS**  trans150.251.1167.500000119.8
422C26.8Very low29.4Very low132 Ų132137 Ų13789%0.89284%0.844SS**  trans-81.3138.8155.9-67.60000108.9
423P38.8Very low29.6Very low116 Ų116135.3 Ų135.375%0.75385%0.848SS**  -150.6163.4104.338.8-22.4000117.1
424S28.6Very low29.9Very low101 Ų101136.1 Ų136.171%0.70685%0.849SS**  trans5387.8145-580000121.3
425R30.1Very low30.1Very low244 Ų244138.4 Ų138.492%0.92186%0.86SS**  12.3108.3110.9-169.1-171.1-154-173.28116.2
426T33.2Very low30.4Very low133 Ų133138.3 Ų138.382%0.81686%0.855SS**  trans-126.5142.7164.4-60.60000109.8
427I32.9Very low30.7Very low144 Ų144142.5 Ų142.574%0.73886%0.861SS**  trans-97.9140179.5-64.9166.8000109.1
428A32.4Very low30.9Very low100 Ų100143.9 Ų143.983%0.82686%0.86SS**  trans-132.6138163.600000109.2
429Q29.1Very low30.9Very low189 Ų189143.5 Ų143.588%0.88386%0.857SS**  trans-98.2166.9178.5-75.2-176.9-94.300112
430A30.9Very low31.2Very low93 Ų93150.5 Ų150.577%0.76988%0.876SS**  trans-46142.5177.400000115.7
431C36.8Very low31.5Very low206 Ų206139.5 Ų139.5100%1.39286%0.863SS**  -130.10114.8-78.10000107.9

Retrieved 431 of 431 residues in 413.2 ms (Link to these results)