A0A087YJT3_POEFO Loading...

Tubulin tyrosine ligase-like family, member 6

AlphaFold DB , UniProt , Accession A0A087YJT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 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
1M86.3Confident91.5Very high104 Ų10462.8 Ų62.851%0.51230%0.299SS..  0159.70-73.9158.858.300108.9Q5 K6 I7 F224M1-Q5 HydrophobicContact CB-CB 4.25Å; M1-Q5 HydrophobicContact CE-CB 3.88Å; M1-Q5 WeakPolarHBondContact CE-O 3.11Å; M1-K6 VanDerWaalsContact CE-C 3.5Å; M1-I7 HydrophobicContact CE-CB 3.68Å; M1-I7 HydrophobicContact CE-CG2 3.75Å; M1-I7 HydrophobicContact SD-CB 3.87Å; M1-I7 HydrophobicContact SD-CD1 4.3Å; M1-I7 HydrophobicContact SD-CG2 3.73Å; M1-F224 HydrophobicContact CB-CE1 4.26Å; M1-F224 HydrophobicContact SD-CE1 3.85Å; M1-F224 HydrophobicContact SD-CZ 4.2Å
2K87.9Confident91.6Very high122 Ų12258.8 Ų58.853%0.5329%0.287SS..  trans-86.1156.8172.4-64.4177.3176.9-177.50110.1Y4 Q5 H227K2-Y4 HydrophobicContact CB-CD1 4.11Å; K2-Y4 HydrophobicContact CB-CE1 3.74Å; K2-Y4 HydrophobicContact CD-CE1 3.79Å; K2-Y4 WeakPolarHBondContact CD-OH 3.21Å; K2-Y4 HydrophobicContact CG-CE1 4.39Å; K2-Y4 PolarHBondContact O-N 3.15Å; K2-Q5 HydrophobicContact CB-CG 4.28Å; K2-Q5 WeakPolarHBondContact O-CB 3.39Å; K2-Q5 PolarHBondContact O-N 3.39Å; K2-H227 PolarHBondContact O-CE1 3.43Å
3R85.9Confident91.8Very high26 Ų2654.7 Ų54.710%0.09827%0.266CS..THydrogen-bonded Turntrans-55.2-28.7-173-71.3178.667.4-152.5-13.8115.4N226 H227 S229 I292 E295 E296R3-N226 WeakPolarHBondContact CD-O 3.25Å; R3-N226 HydrophobicContact CG-CB 4.21Å; R3-N226 PolarHBondContact NE-O 3.07Å; R3-H227 VanDerWaalsContact CA-CE1 3.45Å; R3-H227 WeakPolarHBondContact CA-CE1 3.42Å; R3-H227 PolarHBondContact O-CE1 2.76Å; R3-H227 PolarHBondContact O-ND1 2.9Å; R3-S229 PolarHBondContact NH2-OG 2.99Å; R3-I292 HydrophobicContact CB-CG2 3.72Å; R3-E295 IonicContact NH2-OE2 3.75Å; R3-E295 PolarHBondContact NH2-OE2 3.17Å; R3-E296 WeakPolarHBondContact CD-OE1 3.43Å; R3-E296 IonicContact CZ-OE1 3.16Å; R3-E296 IonicContact NE-OE1 2.92Å; R3-E296 IonicContact NH1-OE1 2.9Å; R3-E296 PolarHBondContact NH1-OE1 2.9Å
4Y86.7Confident91.9Very high52 Ų5254.5 Ų54.520%0.20427%0.273CS..THydrogen-bonded Turntrans-88.20.1178.560.5-101.4000114.5K2 C287 R289 I293K2-Y4 HydrophobicContact CB-CD1 4.11Å; K2-Y4 HydrophobicContact CB-CE1 3.74Å; K2-Y4 HydrophobicContact CD-CE1 3.79Å; K2-Y4 WeakPolarHBondContact CD-OH 3.21Å; K2-Y4 HydrophobicContact CG-CE1 4.39Å; K2-Y4 PolarHBondContact O-N 3.15Å; Y4-C287 WeakPolarHBondContact CB-O 3.32Å; Y4-R289 HydrophobicContact CD1-CB 4.32Å; Y4-R289 HydrophobicContact CD1-CG 3.95Å; Y4-R289 HydrophobicContact CD2-CB 4.25Å; Y4-R289 HydrophobicContact CD2-CG 4.39Å; Y4-R289 HydrophobicContact CE1-CG 3.83Å; Y4-R289 HydrophobicContact CE2-CG 4.3Å; Y4-R289 HydrophobicContact CG-CB 4.13Å; Y4-R289 HydrophobicContact CG-CG 4.22Å; Y4-I293 HydrophobicContact CE1-CD1 4.45Å
5Q90.4Very high92Very high82 Ų8253.2 Ų53.238%0.38327%0.266SS..  trans-97139.3179.5-61-178-60.900110.8M1 K2M1-Q5 HydrophobicContact CB-CB 4.25Å; M1-Q5 HydrophobicContact CE-CB 3.88Å; M1-Q5 WeakPolarHBondContact CE-O 3.11Å; K2-Q5 HydrophobicContact CB-CG 4.28Å; K2-Q5 WeakPolarHBondContact O-CB 3.39Å; K2-Q5 PolarHBondContact O-N 3.39Å
6K92.3Very high92.3Very high44 Ų4449.9 Ų49.919%0.19125%0.249CC..  trans-112.2153.6168.4-80173.2175.4-74.70111.2M1 C230 S231 A232 F234 I282 L284 C287M1-K6 VanDerWaalsContact CE-C 3.5Å; K6-C230 WeakPolarHBondContact CE-SG 3.31Å; K6-C230 PolarHBondContact NZ-SG 2.85Å; K6-S231 PolarHBondContact NZ-O 3.27Å; K6-A232 CarbonylContact C-O 3.46Å; K6-A232 VanDerWaalsContact CA-O 3.24Å; K6-A232 WeakPolarHBondContact CA-O 3.25Å; K6-F234 HydrophobicContact CB-CD1 4.3Å; K6-F234 HydrophobicContact CB-CE1 4.19Å; K6-I282 VanDerWaalsContact CE-O 3.25Å; K6-I282 WeakPolarHBondContact CE-O 3.47Å; K6-I282 PolarHBondContact NZ-O 2.87Å; K6-L284 HydrophobicContact CD-CD2 3.74Å; K6-C287 WeakPolarHBondContact CE-SG 3.25Å
7I95.1Very high92.4Very high69 Ų6948 Ų4835%0.35424%0.242SC..BIsolated β-bridgetrans-134.4149.7172.9-167.6166.1000110.2M1 H9 A232 C233 F234M1-I7 HydrophobicContact CE-CB 3.68Å; M1-I7 HydrophobicContact CE-CG2 3.75Å; M1-I7 HydrophobicContact SD-CB 3.87Å; M1-I7 HydrophobicContact SD-CD1 4.3Å; M1-I7 HydrophobicContact SD-CG2 3.73Å; I7-H9 VanDerWaalsContact C-N 3.28Å; I7-H9 PolarHBondContact O-N 3.06Å; I7-A232 PolarHBondContact N-O 2.88Å; I7-C233 WeakPolarHBondContact O-CA 3.4Å; I7-F234 VanDerWaalsContact O-CD1 3.3Å; I7-F234 WeakPolarHBondContact O-CD1 3.44Å; I7-F234 PolarHBondContact O-N 2.86Å
8N96.2Very high92.4Very high81 Ų8150.6 Ų50.643%0.43325%0.248SC..SBendtrans-87.221.4-172.573.1-62.8000114.6F234N8-F234 CarbonylContact C-O 3.55Å; N8-F234 WeakPolarHBondContact CA-O 3.41Å; N8-F234 HydrophobicContact CB-CD2 4.46Å; N8-F234 HydrophobicContact CB-CE1 4.2Å; N8-F234 HydrophobicContact CB-CE2 3.8Å; N8-F234 HydrophobicContact CB-CZ 3.65Å; N8-F234 VanDerWaalsContact O-O 3.11Å
9H96.5Very high92.5Very high66 Ų6649.2 Ų49.231%0.30624%0.241SC..  trans-145.3145176.2-67.2-70.3000112.6I7 C233 F234 E235 H256I7-H9 VanDerWaalsContact C-N 3.28Å; I7-H9 PolarHBondContact O-N 3.06Å; H9-C233 PolarHBondContact O-SG 3.48Å; H9-F234 PolarHBondContact N-O 2.83Å; H9-E235 IonicContact CE1-OE1 2.89Å; H9-E235 IonicContact CG-OE1 2.73Å; H9-E235 IonicContact ND1-OE1 2.7Å; H9-E235 PolarHBondContact ND1-OE1 3.09Å; H9-H256 PolarHBondContact CE1-O 3.25Å; H9-H256 VanDerWaalsContact CE1-O 3.31Å
10F95.6Very high92.4Very high9 Ų947 Ų474%0.03923%0.23CC..  trans-92.7139.8169.2-71.9-94.3000112.2G12 M13 V118 C121 L216 Y220 C233 E235F10-G12 PolarHBondContact O-N 2.85Å; F10-M13 HydrophobicContact CB-CE 4.25Å; F10-M13 HydrophobicContact CD2-CE 3.92Å; F10-M13 HydrophobicContact CG-CE 4.4Å; F10-M13 PolarHBondContact O-N 2.74Å; F10-V118 HydrophobicContact CD2-CG1 4.38Å; F10-V118 HydrophobicContact CE2-CB 3.85Å; F10-V118 HydrophobicContact CE2-CG1 3.62Å; F10-V118 WeakPolarHBondContact CE2-O 3.33Å; F10-V118 HydrophobicContact CZ-CB 4.49Å; F10-V118 HydrophobicContact CZ-CG1 3.82Å; F10-C121 HydrophobicContact CD1-CB 4.3Å; F10-C121 HydrophobicContact CE1-CB 3.99Å; F10-L216 HydrophobicContact CB-CD2 3.9Å; F10-L216 HydrophobicContact CB-CG 4.47Å; F10-L216 HydrophobicContact CG-CD2 4.16Å; F10-Y220 HydrophobicContact CD1-CD2 4.23Å; F10-Y220 HydrophobicContact CE1-CD2 4.35Å; F10-C233 HydrophobicContact CD1-CB 3.42Å; F10-C233 VanDerWaalsContact CD1-CB 3.42Å; F10-C233 HydrophobicContact CD2-CB 4.04Å; F10-C233 HydrophobicContact CE1-CB 3.42Å; F10-C233 VanDerWaalsContact CE1-CB 3.42Å; F10-C233 HydrophobicContact CE2-CB 4.04Å; F10-C233 HydrophobicContact CG-CB 3.73Å; F10-C233 HydrophobicContact CZ-CB 3.73Å; F10-C233 WeakPolarHBondContact CZ-O 3.41Å; F10-E235 HydrophobicContact CD2-CB 3.71Å; F10-E235 HydrophobicContact CE2-CB 4.05Å; F10-E235 PolarHBondContact N-OE2 2.88Å
11P94Very high92.5Very high36 Ų3647.2 Ų47.223%0.23423%0.23CC..THydrogen-bonded Turntrans-67.1120.1172.630.2-35000110.3N219 C223 F224P11-N219 HydrophobicContact CB-CB 4.05Å; P11-N219 HydrophobicContact CG-CB 4.05Å; P11-N219 VanDerWaalsContact O-CB 3.28Å; P11-N219 WeakPolarHBondContact O-CB 3.33Å; P11-N219 PolarHBondContact O-ND2 2.97Å; P11-C223 HydrophobicContact CG-CB 4.43Å; P11-F224 HydrophobicContact CG-CE2 4.11Å
12G91.8Very high92.9Very high15 Ų1542.4 Ų42.416%0.15521%0.206CC..THydrogen-bonded Turntrans99.21.6-178.600000115.9F10 S14 E15F10-G12 PolarHBondContact O-N 2.85Å; G12-S14 PolarHBondContact O-N 3.5Å; G12-E15 WeakPolarHBondContact O-CB 3.15Å; G12-E15 WeakPolarHBondContact O-CG 3.34Å; G12-E15 PolarHBondContact O-N 2.95Å
13M94.8Very high93.3Very high5 Ų536.6 Ų36.63%0.02518%0.181CC..THydrogen-bonded Turntrans-59.6-16.3175.2-16663.884.600113.6F10 E15 I16 C17 V118 L209 L216 E235 L237F10-M13 HydrophobicContact CB-CE 4.25Å; F10-M13 HydrophobicContact CD2-CE 3.92Å; F10-M13 HydrophobicContact CG-CE 4.4Å; F10-M13 PolarHBondContact O-N 2.74Å; M13-E15 PolarHBondContact O-N 3.36Å; M13-E15 VanDerWaalsContact O-N 3.1Å; M13-I16 PolarHBondContact O-N 3.39Å; M13-I16 HydrophobicContact SD-CD1 3.79Å; M13-I16 HydrophobicContact SD-CG1 3.95Å; M13-C17 WeakPolarHBondContact O-CB 3.48Å; M13-C17 PolarHBondContact O-N 3.2Å; M13-C17 VanDerWaalsContact O-N 3.08Å; M13-C17 PolarHBondContact O-SG 2.74Å; M13-C17 VanDerWaalsContact O-SG 3.4Å; M13-V118 HydrophobicContact CE-CG2 4.43Å; M13-L209 HydrophobicContact SD-CD2 4.4Å; M13-L216 HydrophobicContact CE-CD2 3.59Å; M13-L216 HydrophobicContact SD-CD2 3.92Å; M13-E235 WeakPolarHBondContact CB-OE2 3.24Å; M13-E235 HydrophobicContact CE-CB 4.28Å; M13-E235 HydrophobicContact CE-CG 4.38Å; M13-E235 WeakPolarHBondContact CE-OE2 3.3Å; M13-E235 WeakPolarHBondContact CG-OE2 3.42Å; M13-L237 HydrophobicContact CE-CD1 3.9Å; M13-L237 HydrophobicContact CE-CD2 4.22Å; M13-L237 HydrophobicContact CE-CG 4.43Å; M13-L237 HydrophobicContact CG-CD2 3.85Å; M13-L237 HydrophobicContact SD-CD1 3.89Å; M13-L237 HydrophobicContact SD-CD2 4.13Å
14S92.9Very high93.6Very high52 Ų5240.9 Ų40.936%0.36420%0.197SC..Hα-helixtrans-52.9-24.4168.550.90000114.5G12 I16 C17 R18G12-S14 PolarHBondContact O-N 3.5Å; S14-I16 PolarHBondContact O-N 2.8Å; S14-C17 PolarHBondContact O-N 2.79Å; S14-R18 WeakPolarHBondContact O-CB 3.47Å; S14-R18 PolarHBondContact O-N 3.26Å
15E94.2Very high94Very high35 Ų3538.8 Ų38.816%0.16419%0.189CC..Hα-helixtrans-60.1-25.9178.2-73.2-58129.100114.7G12 M13 F21 L22 N25 A212 I215G12-E15 WeakPolarHBondContact O-CB 3.15Å; G12-E15 WeakPolarHBondContact O-CG 3.34Å; G12-E15 PolarHBondContact O-N 2.95Å; M13-E15 PolarHBondContact O-N 3.36Å; M13-E15 VanDerWaalsContact O-N 3.1Å; E15-F21 CarbonylContact O-C 3.35Å; E15-F21 VanDerWaalsContact O-C 3.22Å; E15-F21 WeakPolarHBondContact O-CB 3.39Å; E15-F21 WeakPolarHBondContact OE1-CD2 3.17Å; E15-L22 PolarHBondContact O-N 3.1Å; E15-N25 PolarHBondContact O-ND2 3.1Å; E15-N25 PolarHBondContact OE2-ND2 3.01Å; E15-A212 HydrophobicContact CB-CB 3.73Å; E15-I215 HydrophobicContact CG-CB 4.04Å; E15-I215 HydrophobicContact CG-CD1 3.64Å; E15-I215 HydrophobicContact CG-CG1 4.43Å; E15-I215 HydrophobicContact CG-CG2 3.76Å; E15-I215 WeakPolarHBondContact OE2-CD1 3.49Å
16I95.8Very high94.3Very high0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-117.2-17.7172.151.5167.2000113.1M13 S14 L22 T208 L209 A212 L237 V254M13-I16 PolarHBondContact O-N 3.39Å; M13-I16 HydrophobicContact SD-CD1 3.79Å; M13-I16 HydrophobicContact SD-CG1 3.95Å; S14-I16 PolarHBondContact O-N 2.8Å; I16-L22 HydrophobicContact CB-CD1 3.89Å; I16-L22 HydrophobicContact CG2-CD1 3.86Å; I16-L22 WeakPolarHBondContact O-CB 3.46Å; I16-T208 HydrophobicContact CB-CG2 4.35Å; I16-T208 HydrophobicContact CD1-CG2 4.42Å; I16-T208 HydrophobicContact CG2-CG2 4.02Å; I16-L209 HydrophobicContact CD1-CD2 3.68Å; I16-L209 HydrophobicContact CD1-CG 4.25Å; I16-A212 HydrophobicContact CG1-CB 4.46Å; I16-A212 HydrophobicContact CG2-CB 3.82Å; I16-L237 HydrophobicContact CD1-CD1 4.41Å; I16-V254 HydrophobicContact CD1-CG1 4.38Å
17C94.8Very high94.4Very high18 Ų1834.4 Ų34.412%0.12217%0.171CC..Hα-helixtrans-92.4-10.7-178.2-62.50000114.5M13 S14 V254 H256M13-C17 WeakPolarHBondContact O-CB 3.48Å; M13-C17 PolarHBondContact O-N 3.2Å; M13-C17 VanDerWaalsContact O-N 3.08Å; M13-C17 PolarHBondContact O-SG 2.74Å; M13-C17 VanDerWaalsContact O-SG 3.4Å; S14-C17 PolarHBondContact O-N 2.79Å; C17-V254 WeakPolarHBondContact CA-O 3.42Å; C17-H256 HydrophobicContact CB-CB 3.81Å
18R92.8Very high94.3Very high95 Ų9533.9 Ų33.936%0.35816%0.164SC..SBendtrans-93.1139163.7-71.7178.151.6135.9-4.5110.3S14 D20 F21 L22S14-R18 WeakPolarHBondContact O-CB 3.47Å; S14-R18 PolarHBondContact O-N 3.26Å; R18-D20 WeakPolarHBondContact CB-OD1 3.39Å; R18-D20 IonicContact CZ-OD1 2.69Å; R18-D20 IonicContact CZ-OD2 2.79Å; R18-D20 IonicContact NE-OD1 2.71Å; R18-D20 PolarHBondContact NE-OD1 3.19Å; R18-D20 IonicContact NE-OD2 2.65Å; R18-D20 VanDerWaalsContact NH2-CG 3.29Å; R18-D20 IonicContact NH2-OD1 2.74Å; R18-D20 PolarHBondContact NH2-OD1 2.9Å; R18-D20 VanDerWaalsContact NH2-OD1 3.08Å; R18-D20 IonicContact NH2-OD2 3.77Å; R18-D20 PolarHBondContact NH2-OD2 3.19Å; R18-D20 PolarHBondContact O-N 3Å; R18-F21 HydrophobicContact CB-CB 4.2Å; R18-F21 HydrophobicContact CB-CD2 4.46Å; R18-F21 HydrophobicContact CB-CG 4.26Å; R18-F21 PolarHBondContact O-N 3.46Å; R18-L22 WeakPolarHBondContact O-CB 3.22Å; R18-L22 PolarHBondContact O-N 3.46Å
19K93.3Very high94.2Very high23 Ų2330 Ų3010%0.114%0.144CC..Hα-helixtrans-61.7-41.5-176.3-74.2173.1170.467.30112.9A23 K68 G72 I94 E253K19-A23 WeakPolarHBondContact O-CB 3.24Å; K19-A23 PolarHBondContact O-N 3.39Å; K19-A23 VanDerWaalsContact O-N 3.12Å; K19-K68 HydrophobicContact CD-CB 4.11Å; K19-K68 HydrophobicContact CD-CD 4.46Å; K19-G72 PolarHBondContact NZ-O 3.24Å; K19-I94 HydrophobicContact CB-CD1 3.78Å; K19-I94 HydrophobicContact CB-CG1 4.11Å; K19-I94 HydrophobicContact CB-CG2 4.46Å; K19-I94 HydrophobicContact CG-CD1 4.3Å; K19-E253 WeakPolarHBondContact CE-OE2 3.41Å; K19-E253 IonicContact NZ-OE2 3.86Å; K19-E253 PolarHBondContact NZ-OE2 2.65Å
20D91.1Very high94.1Very high5 Ų529.3 Ų29.33%0.02714%0.142CC..Hα-helixtrans-70.4-43.6178.267.5-40.3000112.4R18 A23 R24 I94R18-D20 WeakPolarHBondContact CB-OD1 3.39Å; R18-D20 IonicContact CZ-OD1 2.69Å; R18-D20 IonicContact CZ-OD2 2.79Å; R18-D20 IonicContact NE-OD1 2.71Å; R18-D20 PolarHBondContact NE-OD1 3.19Å; R18-D20 IonicContact NE-OD2 2.65Å; R18-D20 VanDerWaalsContact NH2-CG 3.29Å; R18-D20 IonicContact NH2-OD1 2.74Å; R18-D20 PolarHBondContact NH2-OD1 2.9Å; R18-D20 VanDerWaalsContact NH2-OD1 3.08Å; R18-D20 IonicContact NH2-OD2 3.77Å; R18-D20 PolarHBondContact NH2-OD2 3.19Å; R18-D20 PolarHBondContact O-N 3Å; D20-A23 PolarHBondContact O-N 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.09Å; D20-R24 PolarHBondContact O-N 2.96Å; D20-R24 IonicContact OD2-CZ 3.1Å; D20-R24 IonicContact OD2-NH1 3.98Å; D20-R24 PolarHBondContact OD2-NH1 2.9Å; D20-R24 IonicContact OD2-NH2 2.79Å; D20-I94 HydrophobicContact CB-CG2 4.32Å
21F93.5Very high94Very high53 Ų5337 Ų3723%0.23218%0.175CC..Hα-helixtrans-70-41.6179.1-66.73.6000111.6E15 R18 A23 R24 N25E15-F21 CarbonylContact O-C 3.35Å; E15-F21 VanDerWaalsContact O-C 3.22Å; E15-F21 WeakPolarHBondContact O-CB 3.39Å; E15-F21 WeakPolarHBondContact OE1-CD2 3.17Å; R18-F21 HydrophobicContact CB-CB 4.2Å; R18-F21 HydrophobicContact CB-CD2 4.46Å; R18-F21 HydrophobicContact CB-CG 4.26Å; R18-F21 PolarHBondContact O-N 3.46Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.12Å; F21-R24 PolarHBondContact O-N 3.09Å; F21-N25 WeakPolarHBondContact O-CB 3.37Å; F21-N25 PolarHBondContact O-N 3.5Å; F21-N25 PolarHBondContact O-ND2 3.31Å
22L95.8Very high93.9Very high3 Ų339.1 Ų39.12%0.01618%0.184CC..Hα-helixtrans-56.3-47.3173-178.564000111.2E15 I16 R18 N25 L26 F40 T208 L251E15-L22 PolarHBondContact O-N 3.1Å; I16-L22 HydrophobicContact CB-CD1 3.89Å; I16-L22 HydrophobicContact CG2-CD1 3.86Å; I16-L22 WeakPolarHBondContact O-CB 3.46Å; R18-L22 WeakPolarHBondContact O-CB 3.22Å; R18-L22 PolarHBondContact O-N 3.46Å; L22-N25 PolarHBondContact O-N 2.91Å; L22-L26 HydrophobicContact CD1-CD1 3.54Å; L22-L26 HydrophobicContact CD1-CG 3.98Å; L22-L26 HydrophobicContact CG-CD1 3.97Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3Å; L22-L26 PolarHBondContact O-N 3.14Å; L22-F40 HydrophobicContact CD2-CE2 4.06Å; L22-F40 HydrophobicContact CD2-CZ 4.4Å; L22-F40 HydrophobicContact CG-CE2 4.37Å; L22-F40 HydrophobicContact CG-CZ 4.41Å; L22-T208 HydrophobicContact CD1-CG2 4Å; L22-L251 HydrophobicContact CD1-CD2 4.05Å; L22-L251 HydrophobicContact CD2-CD2 4.17Å
23A95.6Very high94.1Very high0 Ų039.6 Ų39.60%018%0.182CC..Hα-helixtrans-62.9-45.3178.200000112.1K19 D20 F21 N27 F40 T43K19-A23 WeakPolarHBondContact O-CB 3.24Å; K19-A23 PolarHBondContact O-N 3.39Å; K19-A23 VanDerWaalsContact O-N 3.12Å; D20-A23 PolarHBondContact O-N 3.26Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.12Å; A23-N27 WeakPolarHBondContact O-CB 3.46Å; A23-N27 PolarHBondContact O-N 2.61Å; A23-N27 PolarHBondContact O-ND2 3.24Å; A23-F40 HydrophobicContact CB-CE1 4.09Å; A23-F40 HydrophobicContact CB-CZ 4.44Å; A23-T43 HydrophobicContact CB-CG2 3.61Å
24R93.6Very high94.1Very high116 Ų11643.4 Ų43.444%0.43821%0.207SC..Hα-helixtrans-60.6-47.5175.4-71.5175.7-171.2129.510111.9D20 F21 R28D20-R24 WeakPolarHBondContact O-CG 3.09Å; D20-R24 PolarHBondContact O-N 2.96Å; D20-R24 IonicContact OD2-CZ 3.1Å; D20-R24 IonicContact OD2-NH1 3.98Å; D20-R24 PolarHBondContact OD2-NH1 2.9Å; D20-R24 IonicContact OD2-NH2 2.79Å; F21-R24 PolarHBondContact O-N 3.09Å; R24-R28 VanDerWaalsContact O-CB 3.29Å; R24-R28 WeakPolarHBondContact O-CB 3.47Å; R24-R28 PolarHBondContact O-N 2.59Å
25N94.6Very high94.1Very high7 Ų750.6 Ų50.64%0.03723%0.232CC..Hα-helixtrans-65.5-45.9-178.7-81.4-45.9000112.2E15 F21 L22 R28 M29E15-N25 PolarHBondContact O-ND2 3.1Å; E15-N25 PolarHBondContact OE2-ND2 3.01Å; F21-N25 WeakPolarHBondContact O-CB 3.37Å; F21-N25 PolarHBondContact O-N 3.5Å; F21-N25 PolarHBondContact O-ND2 3.31Å; L22-N25 PolarHBondContact O-N 2.91Å; N25-R28 WeakPolarHBondContact O-CB 3.15Å; N25-R28 PolarHBondContact O-N 3.06Å; N25-R28 PolarHBondContact OD1-NH2 2.88Å; N25-M29 WeakPolarHBondContact O-CG 3.21Å; N25-M29 PolarHBondContact O-N 3.12Å
26L95.9Very high94.1Very high3 Ų351.1 Ų51.12%0.01624%0.236CC..Hα-helixtrans-73.6-33.8179-64.2-178000112.8L22 M29 L30 Y37 F40 L251L22-L26 HydrophobicContact CD1-CD1 3.54Å; L22-L26 HydrophobicContact CD1-CG 3.98Å; L22-L26 HydrophobicContact CG-CD1 3.97Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3Å; L22-L26 PolarHBondContact O-N 3.14Å; L26-M29 PolarHBondContact O-N 3.43Å; L26-L30 VanDerWaalsContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 PolarHBondContact O-N 3Å; L26-Y37 HydrophobicContact CD2-CD1 4.18Å; L26-Y37 HydrophobicContact CD2-CE1 4.2Å; L26-F40 HydrophobicContact CB-CB 4.25Å; L26-F40 HydrophobicContact CB-CD1 4.02Å; L26-F40 HydrophobicContact CB-CG 4.26Å; L26-F40 HydrophobicContact CD1-CB 3.75Å; L26-F40 HydrophobicContact CD1-CD1 4.12Å; L26-F40 HydrophobicContact CD1-CD2 3.83Å; L26-F40 HydrophobicContact CD1-CE2 4.44Å; L26-F40 HydrophobicContact CD1-CG 3.65Å; L26-L251 HydrophobicContact CD1-CD2 3.65Å
27N94.4Very high94.1Very high31 Ų3151.3 Ų51.317%0.16624%0.236CC..Hα-helixtrans-64.6-39.1170.6-76.5-20.7000111.8A23 L30 K31 T43A23-N27 WeakPolarHBondContact O-CB 3.46Å; A23-N27 PolarHBondContact O-N 2.61Å; A23-N27 PolarHBondContact O-ND2 3.24Å; N27-L30 PolarHBondContact O-N 2.75Å; N27-K31 WeakPolarHBondContact O-CG 3.37Å; N27-K31 PolarHBondContact O-N 3.41Å; N27-T43 PolarHBondContact ND2-O 2.93Å
28R93.1Very high94.2Very high58 Ų5854.4 Ų54.422%0.21925%0.252CS..Hα-helixtrans-61.1-49.7173.3174.9177.160.894.64.8110.8R24 N25 L30 K31 L32 S211R24-R28 VanDerWaalsContact O-CB 3.29Å; R24-R28 WeakPolarHBondContact O-CB 3.47Å; R24-R28 PolarHBondContact O-N 2.59Å; N25-R28 WeakPolarHBondContact O-CB 3.15Å; N25-R28 PolarHBondContact O-N 3.06Å; N25-R28 PolarHBondContact OD1-NH2 2.88Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.89Å; R28-K31 PolarHBondContact O-N 3.1Å; R28-L32 HydrophobicContact CG-CD1 4.37Å; R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 2.83Å; R28-L32 VanDerWaalsContact O-N 3.12Å; R28-S211 PolarHBondContact NH2-O 3.5Å; R28-S211 VanDerWaalsContact NH2-O 3.07Å
29M94.4Very high94.4Very high0 Ų050.3 Ų50.30%024%0.237CC..Hα-helixtrans-66.9-32.4178.3-63.7-59.2-77.500112.8N25 L26 L32 F33 Y37N25-M29 WeakPolarHBondContact O-CG 3.21Å; N25-M29 PolarHBondContact O-N 3.12Å; L26-M29 PolarHBondContact O-N 3.43Å; M29-L32 PolarHBondContact O-N 2.79Å; M29-L32 HydrophobicContact SD-CD1 4.23Å; M29-F33 HydrophobicContact CE-CD2 3.93Å; M29-F33 HydrophobicContact CE-CE2 3.68Å; M29-F33 PolarHBondContact O-N 3.09Å; M29-F33 HydrophobicContact SD-CE2 4.39Å; M29-Y37 HydrophobicContact CB-CD1 3.31Å; M29-Y37 HydrophobicContact CB-CD2 4.15Å; M29-Y37 HydrophobicContact CB-CE1 3.42Å; M29-Y37 VanDerWaalsContact CB-CE1 3.42Å; M29-Y37 HydrophobicContact CB-CE2 4.25Å; M29-Y37 HydrophobicContact CB-CG 3.68Å; M29-Y37 HydrophobicContact CE-CE1 4.22Å; M29-Y37 HydrophobicContact CE-CE2 3.93Å; M29-Y37 WeakPolarHBondContact CE-OH 3.43Å; M29-Y37 HydrophobicContact CG-CD1 4.23Å; M29-Y37 HydrophobicContact CG-CE1 3.84Å
30L95.2Very high94.6Very high51 Ų5149.7 Ų49.727%0.26724%0.235SC..Hα-helixtrans-65.9-36.9172.1179.667000112.4L26 N27 R28 F33 P34L26-L30 VanDerWaalsContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 PolarHBondContact O-N 3Å; N27-L30 PolarHBondContact O-N 2.75Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.89Å; L30-F33 CarbonylContact O-C 3.57Å; L30-P34 WeakPolarHBondContact O-CA 3.42Å; L30-P34 WeakPolarHBondContact O-CG 3.15Å
31K92.8Very high94.8Very high171 Ų17149.8 Ų49.874%0.74324%0.235SC*.Hα-helixtrans-65.8-39.5173.5-73.4174.6-179.4-178.10111.7N27 R28N27-K31 WeakPolarHBondContact O-CG 3.37Å; N27-K31 PolarHBondContact O-N 3.41Å; R28-K31 PolarHBondContact O-N 3.1Å
32L92.3Very high94.9Very high80 Ų8052.9 Ų52.942%0.41925%0.245SC..Hα-helixtrans-75.3-37.2178.8-66.1172.5000113.2R28 M29 H357R28-L32 HydrophobicContact CG-CD1 4.37Å; R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 2.83Å; R28-L32 VanDerWaalsContact O-N 3.12Å; M29-L32 PolarHBondContact O-N 2.79Å; M29-L32 HydrophobicContact SD-CD1 4.23Å; L32-H357 HydrophobicContact CD1-CB 4.26Å
33F95Very high95Very high26 Ų2652.8 Ų52.811%0.11425%0.245CC..  trans-132.967.5-174.7-52.5-78.3000112M29 L30 K35 D36 Y37 Y354 H357M29-F33 HydrophobicContact CE-CD2 3.93Å; M29-F33 HydrophobicContact CE-CE2 3.68Å; M29-F33 PolarHBondContact O-N 3.09Å; M29-F33 HydrophobicContact SD-CE2 4.39Å; L30-F33 CarbonylContact O-C 3.57Å; F33-K35 VanDerWaalsContact C-N 3.26Å; F33-K35 PolarHBondContact O-N 3.16Å; F33-K35 VanDerWaalsContact O-N 3.13Å; F33-D36 HydrophobicContact CB-CB 4.13Å; F33-D36 PolarHBondContact O-N 3.28Å; F33-Y37 HydrophobicContact CB-CD2 3.84Å; F33-Y37 HydrophobicContact CB-CE2 4.49Å; F33-Y37 HydrophobicContact CD2-CD2 4.24Å; F33-Y37 HydrophobicContact CD2-CE2 4.21Å; F33-Y37 HydrophobicContact CG-CD2 4.4Å; F33-Y37 PolarHBondContact O-N 3.22Å; F33-Y354 HydrophobicContact CB-CE1 4.21Å; F33-Y354 AromaticContact CD1-CD1 3.93Å; F33-Y354 HydrophobicContact CD1-CD1 3.93Å; F33-Y354 AromaticContact CD1-CE1 3.86Å; F33-Y354 HydrophobicContact CD1-CE1 3.86Å; F33-Y354 AromaticContact CD2-CD1 3.74Å; F33-Y354 HydrophobicContact CD2-CD1 3.74Å; F33-Y354 HydrophobicContact CD2-CE1 4.17Å; F33-Y354 AromaticContact CE1-CD1 3.93Å; F33-Y354 HydrophobicContact CE1-CD1 3.93Å; F33-Y354 HydrophobicContact CE1-CE1 4.25Å; F33-Y354 AromaticContact CE2-CD1 3.76Å; F33-Y354 HydrophobicContact CE2-CD1 3.76Å; F33-Y354 AromaticContact CG-CD1 3.84Å; F33-Y354 HydrophobicContact CG-CD1 3.84Å; F33-Y354 AromaticContact CG-CE1 3.81Å; F33-Y354 HydrophobicContact CG-CE1 3.81Å; F33-Y354 AromaticContact CZ-CD1 3.84Å; F33-Y354 HydrophobicContact CZ-CD1 3.84Å; F33-H357 HydrophobicContact CZ-CB 4.37Å; F33-H357 AromaticContact CZ-CD2 3.7Å
34P94.4Very high95Very high85 Ų8553 Ų5355%0.55225%0.246SC*.THydrogen-bonded Turntrans-60.1-30.4-169.8-25.134.1000115.4L30L30-P34 WeakPolarHBondContact O-CA 3.42Å; L30-P34 WeakPolarHBondContact O-CG 3.15Å
35K93.8Very high95.1Very high203 Ų20347.6 Ų47.688%0.88323%0.226SC*.THydrogen-bonded Turntrans-76.1-30.6178-64.7-176.5179.3-179.80112.6F33F33-K35 VanDerWaalsContact C-N 3.26Å; F33-K35 PolarHBondContact O-N 3.16Å; F33-K35 VanDerWaalsContact O-N 3.13Å
36D94.6Very high95Very high46 Ų4647.6 Ų47.625%0.24623%0.225CC..THydrogen-bonded Turntrans-99.3-34-168.5-61-39.1000113.2F33 K207 K353 Y354F33-D36 HydrophobicContact CB-CB 4.13Å; F33-D36 PolarHBondContact O-N 3.28Å; D36-K207 PolarHBondContact O-NZ 2.93Å; D36-K353 IonicContact OD1-NZ 2.64Å; D36-K353 IonicContact OD2-NZ 3.58Å; D36-K353 PolarHBondContact OD2-NZ 3Å; D36-Y354 HydrophobicContact CB-CE1 4.04Å; D36-Y354 VanDerWaalsContact CB-OH 3.23Å; D36-Y354 WeakPolarHBondContact CB-OH 3.4Å; D36-Y354 PolarHBondContact OD2-OH 2.92Å; D36-Y354 VanDerWaalsContact OD2-OH 3.09Å
37Y95.8Very high94.9Very high3 Ų349.8 Ų49.81%0.01224%0.24CC..  trans-98.318.8-174.9-87.6-101.9000114.1L26 M29 F33 I39 K207 Y354L26-Y37 HydrophobicContact CD2-CD1 4.18Å; L26-Y37 HydrophobicContact CD2-CE1 4.2Å; M29-Y37 HydrophobicContact CB-CD1 3.31Å; M29-Y37 HydrophobicContact CB-CD2 4.15Å; M29-Y37 HydrophobicContact CB-CE1 3.42Å; M29-Y37 VanDerWaalsContact CB-CE1 3.42Å; M29-Y37 HydrophobicContact CB-CE2 4.25Å; M29-Y37 HydrophobicContact CB-CG 3.68Å; M29-Y37 HydrophobicContact CE-CE1 4.22Å; M29-Y37 HydrophobicContact CE-CE2 3.93Å; M29-Y37 WeakPolarHBondContact CE-OH 3.43Å; M29-Y37 HydrophobicContact CG-CD1 4.23Å; M29-Y37 HydrophobicContact CG-CE1 3.84Å; F33-Y37 HydrophobicContact CB-CD2 3.84Å; F33-Y37 HydrophobicContact CB-CE2 4.49Å; F33-Y37 HydrophobicContact CD2-CD2 4.24Å; F33-Y37 HydrophobicContact CD2-CE2 4.21Å; F33-Y37 HydrophobicContact CG-CD2 4.4Å; F33-Y37 PolarHBondContact O-N 3.22Å; Y37-I39 HydrophobicContact CD1-CD1 4.1Å; Y37-I39 HydrophobicContact CE1-CD1 4.45Å; Y37-I39 PolarHBondContact O-N 2.92Å; Y37-K207 HydrophobicContact CD1-CB 4.49Å; Y37-K207 HydrophobicContact CD2-CD 4.47Å; Y37-K207 HydrophobicContact CE1-CB 3.78Å; Y37-K207 HydrophobicContact CE1-CG 4.43Å; Y37-K207 HydrophobicContact CE2-CB 4.32Å; Y37-K207 HydrophobicContact CE2-CD 4.26Å; Y37-K207 HydrophobicContact CE2-CG 4.08Å; Y37-K207 PolarHBondContact OH-O 3.46Å; Y37-K207 VanDerWaalsContact OH-O 3.1Å; Y37-Y354 HydrophobicContact CD2-CD1 4.49Å; Y37-Y354 HydrophobicContact CD2-CE1 4.25Å; Y37-Y354 AromaticContact CE2-CD1 3.63Å; Y37-Y354 HydrophobicContact CE2-CD1 3.63Å; Y37-Y354 HydrophobicContact CE2-CD2 4.3Å; Y37-Y354 AromaticContact CE2-CE1 3.7Å; Y37-Y354 HydrophobicContact CE2-CE1 3.7Å; Y37-Y354 HydrophobicContact CE2-CE2 4.39Å; Y37-Y354 AromaticContact CE2-CG 3.95Å; Y37-Y354 HydrophobicContact CE2-CG 3.95Å
38N95.5Very high94.8Very high83 Ų8351.9 Ų51.944%0.44426%0.262SS..THydrogen-bonded Turntrans-73.152.9168.4-173.919.8000111.3K248N38-K248 VanDerWaalsContact O-CE 3.31Å; N38-K248 WeakPolarHBondContact O-CE 3.44Å; N38-K248 PolarHBondContact O-NZ 3.36Å
39I96.8Very high94.8Very high10 Ų1051.4 Ų51.45%0.05126%0.263CS..THydrogen-bonded Turntrans-115.6-12.2-17361.8172.8000113Y37 I204 K207 L251Y37-I39 HydrophobicContact CD1-CD1 4.1Å; Y37-I39 HydrophobicContact CE1-CD1 4.45Å; Y37-I39 PolarHBondContact O-N 2.92Å; I39-I204 HydrophobicContact CB-CD1 3.96Å; I39-I204 HydrophobicContact CB-CG1 3.79Å; I39-I204 HydrophobicContact CD1-CG2 4.44Å; I39-I204 HydrophobicContact CG2-CD1 4.26Å; I39-I204 HydrophobicContact CG2-CG1 3.76Å; I39-K207 HydrophobicContact CD1-CB 3.76Å; I39-K207 HydrophobicContact CD1-CD 4.33Å; I39-L251 PolarHBondContact O-N 2.87Å
40F97.6Very high94.7Very high10 Ų1053.2 Ų53.24%0.04427%0.271CS..SBendtrans-126.1136.4-176.1-174.5-116.4000109.2L22 A23 L26 T43 Q96 L251L22-F40 HydrophobicContact CD2-CE2 4.06Å; L22-F40 HydrophobicContact CD2-CZ 4.4Å; L22-F40 HydrophobicContact CG-CE2 4.37Å; L22-F40 HydrophobicContact CG-CZ 4.41Å; A23-F40 HydrophobicContact CB-CE1 4.09Å; A23-F40 HydrophobicContact CB-CZ 4.44Å; L26-F40 HydrophobicContact CB-CB 4.25Å; L26-F40 HydrophobicContact CB-CD1 4.02Å; L26-F40 HydrophobicContact CB-CG 4.26Å; L26-F40 HydrophobicContact CD1-CB 3.75Å; L26-F40 HydrophobicContact CD1-CD1 4.12Å; L26-F40 HydrophobicContact CD1-CD2 3.83Å; L26-F40 HydrophobicContact CD1-CE2 4.44Å; L26-F40 HydrophobicContact CD1-CG 3.65Å; F40-T43 HydrophobicContact CE1-CG2 4.32Å; F40-T43 WeakPolarHBondContact CE1-OG1 3.48Å; F40-Q96 VanDerWaalsContact CZ-NE2 3.27Å; F40-L251 HydrophobicContact CD2-CB 4.16Å; F40-L251 HydrophobicContact CD2-CD2 4.24Å; F40-L251 HydrophobicContact CD2-CG 4.36Å; F40-L251 VanDerWaalsContact CD2-O 3.3Å; F40-L251 WeakPolarHBondContact CD2-O 3.29Å
41P96.8Very high94.6Very high6 Ų654.8 Ų54.84%0.03929%0.286CS..  trans-61.7142.1176.6-21.433.5000110.7T43 Q96 V97 I99 W250 L251P41-T43 PolarHBondContact O-N 2.81Å; P41-T43 VanDerWaalsContact O-N 3.16Å; P41-T43 PolarHBondContact O-OG1 3.21Å; P41-Q96 HydrophobicContact CB-CG 3.77Å; P41-Q96 HydrophobicContact CG-CG 4.46Å; P41-V97 WeakPolarHBondContact CB-O 3.45Å; P41-I99 HydrophobicContact CG-CD1 3.84Å; P41-I99 HydrophobicContact CG-CG1 4.27Å; P41-W250 HydrophobicContact CG-CE3 4.14Å; P41-L251 WeakPolarHBondContact CD-O 3.5Å
42R95.6Very high94.6Very high118 Ų11850.6 Ų50.645%0.44527%0.271SS..  trans-55.9125.3179.4-173.9173.2-178.2161.2-1.4109.7W44 V97R42-W44 HydrophobicContact CB-CH2 4.34Å; R42-W44 HydrophobicContact CG-CH2 3.76Å; R42-W44 HydrophobicContact CG-CZ2 3.78Å; R42-W44 HydrophobicContact CG-CZ3 4.29Å; R42-W44 VanDerWaalsContact NE-CZ2 3.28Å; R42-V97 HydrophobicContact CB-CG2 4.04Å; R42-V97 PolarHBondContact O-N 2.57Å
43T96.8Very high94.6Very high2 Ų246.9 Ų46.91%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-133.5145.2-170.9-56.50000109.6A23 N27 F40 P41 I94 C95 Q96A23-T43 HydrophobicContact CB-CG2 3.61Å; N27-T43 PolarHBondContact ND2-O 2.93Å; F40-T43 HydrophobicContact CE1-CG2 4.32Å; F40-T43 WeakPolarHBondContact CE1-OG1 3.48Å; P41-T43 PolarHBondContact O-N 2.81Å; P41-T43 VanDerWaalsContact O-N 3.16Å; P41-T43 PolarHBondContact O-OG1 3.21Å; T43-I94 HydrophobicContact CG2-CB 3.87Å; T43-I94 HydrophobicContact CG2-CD1 3.96Å; T43-I94 HydrophobicContact CG2-CG1 4.48Å; T43-I94 HydrophobicContact CG2-CG2 4.36Å; T43-C95 CarbonylContact C-O 3.54Å; T43-C95 VanDerWaalsContact CA-O 3.32Å; T43-C95 WeakPolarHBondContact CA-O 3.49Å; T43-C95 WeakPolarHBondContact CG2-O 3.36Å; T43-Q96 HydrophobicContact CG2-CB 4.13Å; T43-Q96 WeakPolarHBondContact OG1-CG 3.49Å; T43-Q96 PolarHBondContact OG1-NE2 2.81Å
44W95.9Very high94.5Very high5 Ų548.4 Ų48.42%0.01926%0.259CS..EExtended strand (participates in β ladder)trans-123.1133.5177.2-62.6-97.5000108.4R42 L46 D49 F53 Y56 Y65 I94 C95 V97R42-W44 HydrophobicContact CB-CH2 4.34Å; R42-W44 HydrophobicContact CG-CH2 3.76Å; R42-W44 HydrophobicContact CG-CZ2 3.78Å; R42-W44 HydrophobicContact CG-CZ3 4.29Å; R42-W44 VanDerWaalsContact NE-CZ2 3.28Å; W44-L46 HydrophobicContact CB-CD2 4.18Å; W44-D49 HydrophobicContact CB-CB 3.79Å; W44-D49 HydrophobicContact CG-CB 4.31Å; W44-F53 HydrophobicContact CB-CB 4.27Å; W44-F53 HydrophobicContact CD2-CB 4.23Å; W44-F53 AromaticContact CD2-CD2 4Å; W44-F53 HydrophobicContact CD2-CD2 4Å; W44-F53 AromaticContact CE3-CD2 3.92Å; W44-F53 HydrophobicContact CE3-CD2 3.92Å; W44-F53 HydrophobicContact CG-CB 3.88Å; W44-F53 HydrophobicContact CG-CD2 4.41Å; W44-F53 HydrophobicContact CZ3-CD2 4.31Å; W44-Y56 AromaticContact CH2-CD1 3.39Å; W44-Y56 HydrophobicContact CH2-CD1 3.39Å; W44-Y56 HydrophobicContact CH2-CD2 4.21Å; W44-Y56 AromaticContact CH2-CE1 3.68Å; W44-Y56 HydrophobicContact CH2-CE1 3.68Å; W44-Y56 HydrophobicContact CH2-CE2 4.43Å; W44-Y56 AromaticContact CH2-CG 3.69Å; W44-Y56 HydrophobicContact CH2-CG 3.69Å; W44-Y56 AromaticContact CZ2-CD1 3.61Å; W44-Y56 HydrophobicContact CZ2-CD1 3.61Å; W44-Y56 AromaticContact CZ2-CD2 3.86Å; W44-Y56 HydrophobicContact CZ2-CD2 3.86Å; W44-Y56 HydrophobicContact CZ2-CE1 4.26Å; W44-Y56 HydrophobicContact CZ2-CE2 4.46Å; W44-Y56 AromaticContact CZ2-CG 3.39Å; W44-Y56 HydrophobicContact CZ2-CG 3.39Å; W44-Y56 HydrophobicContact CZ3-CD1 4.48Å; W44-Y65 HydrophobicContact CH2-CE1 4.37Å; W44-Y65 HydrophobicContact CZ3-CD1 4.29Å; W44-Y65 HydrophobicContact CZ3-CE1 4.09Å; W44-I94 WeakPolarHBondContact O-CA 3.04Å; W44-C95 PolarHBondContact N-O 3.17Å; W44-C95 PolarHBondContact O-N 3.11Å; W44-V97 HydrophobicContact CH2-CG2 3.69Å; W44-V97 HydrophobicContact CZ3-CG2 3.63Å
45C94.9Very high94.4Very high2 Ų247.3 Ų47.31%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-91.9106.7174.7-55.10000109A48 D49C45-A48 PolarHBondContact O-N 3.08Å; C45-A48 VanDerWaalsContact O-N 3.17Å; C45-D49 PolarHBondContact N-OD2 3.27Å; C45-D49 PolarHBondContact O-N 3.43Å
46L93.2Very high94.4Very high6 Ų639.6 Ų39.63%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-87.6147.4-178.1-53.5-174.1000110.7W44 Y50 F53 I87 E91 M93 C95W44-L46 HydrophobicContact CB-CD2 4.18Å; L46-Y50 HydrophobicContact CD1-CD2 4.39Å; L46-Y50 HydrophobicContact CD2-CD2 4.1Å; L46-F53 HydrophobicContact CD2-CB 4.39Å; L46-I87 HydrophobicContact CD1-CG2 3.49Å; L46-I87 VanDerWaalsContact CD1-CG2 3.49Å; L46-E91 CarbonylContact C-O 3.49Å; L46-E91 VanDerWaalsContact CB-O 3.29Å; L46-E91 WeakPolarHBondContact CB-O 3.28Å; L46-M93 WeakPolarHBondContact CA-O 3.11Å; L46-M93 WeakPolarHBondContact CB-O 3.3Å; L46-M93 HydrophobicContact CD1-CE 4.09Å; L46-M93 PolarHBondContact N-O 3.22Å; L46-C95 HydrophobicContact CD1-CB 3.92Å; L46-C95 HydrophobicContact CG-CB 4.29Å
47P93.5Very high94.2Very high50 Ų5038 Ų3833%0.32522%0.215SC..THydrogen-bonded Turncis-82.7-6.21.832.6-36.1000115.2D49 Y50 E91P47-D49 PolarHBondContact O-N 3.1Å; P47-Y50 WeakPolarHBondContact O-CB 3.32Å; P47-Y50 PolarHBondContact O-N 3.49Å; P47-E91 WeakPolarHBondContact CD-O 3.19Å
48A92.5Very high93.9Very high75 Ų7546.1 Ų46.162%0.6225%0.246SC*.THydrogen-bonded Turntrans-58.6-43.8-171.400000114.1C45 Y50C45-A48 PolarHBondContact O-N 3.08Å; C45-A48 VanDerWaalsContact O-N 3.17Å; A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 PolarHBondContact O-N 2.84Å
49D93.6Very high93.7Very high47 Ų4745.5 Ų45.525%0.25125%0.252SS..THydrogen-bonded Turntrans-92.415.3-177.7-62-25.4000112.9W44 C45 P47 S51 D52 F53W44-D49 HydrophobicContact CB-CB 3.79Å; W44-D49 HydrophobicContact CG-CB 4.31Å; C45-D49 PolarHBondContact N-OD2 3.27Å; C45-D49 PolarHBondContact O-N 3.43Å; P47-D49 PolarHBondContact O-N 3.1Å; D49-S51 PolarHBondContact O-N 2.65Å; D49-D52 PolarHBondContact O-N 2.67Å; D49-F53 PolarHBondContact O-N 2.94Å
50Y92.7Very high93.3Very high39 Ų3950.5 Ų50.515%0.15327%0.273CS..Hα-helixtrans-65.2-33.6-171.2-172.3-102.1000113.6L46 P47 A48 F53 Q54 I87 P89L46-Y50 HydrophobicContact CD1-CD2 4.39Å; L46-Y50 HydrophobicContact CD2-CD2 4.1Å; P47-Y50 WeakPolarHBondContact O-CB 3.32Å; P47-Y50 PolarHBondContact O-N 3.49Å; A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 PolarHBondContact O-N 2.84Å; Y50-F53 HydrophobicContact CD2-CD1 4.27Å; Y50-F53 HydrophobicContact CE2-CD1 4.34Å; Y50-F53 PolarHBondContact O-N 3.38Å; Y50-Q54 HydrophobicContact CD1-CG 4.3Å; Y50-Q54 HydrophobicContact CE1-CG 3.95Å; Y50-Q54 WeakPolarHBondContact O-CG 3.25Å; Y50-Q54 PolarHBondContact O-N 3.09Å; Y50-Q54 PolarHBondContact OH-NE2 2.98Å; Y50-I87 HydrophobicContact CE2-CG2 4.36Å; Y50-I87 PolarHBondContact OH-O 3.42Å; Y50-P89 HydrophobicContact CD1-CB 4.48Å; Y50-P89 HydrophobicContact CE1-CB 3.93Å; Y50-P89 HydrophobicContact CE1-CG 3.88Å
51S91.9Very high92.5Very high83 Ų8358.2 Ų58.258%0.5831%0.307SS*.Hα-helixtrans-63.5-48.4173.748.60000112.1D49 F53 Q54 A55D49-S51 PolarHBondContact O-N 2.65Å; S51-F53 VanDerWaalsContact C-N 3.3Å; S51-F53 PolarHBondContact O-N 2.55Å; S51-Q54 PolarHBondContact O-N 3.43Å; S51-A55 PolarHBondContact O-N 3.42Å
52D92.7Very high92Very high83 Ų8366.2 Ų66.244%0.44434%0.343SS..Hα-helixtrans-62.9-36175.8-89.714.6000112D49 Y56D49-D52 PolarHBondContact O-N 2.67Å; D52-Y56 WeakPolarHBondContact O-CB 3.29Å; D52-Y56 PolarHBondContact O-N 2.79Å
53F93.3Very high91.8Very high2 Ų265 Ų651%0.00934%0.341CS..Hα-helixtrans-65-47.7173.1172.3-112.7000111.5W44 L46 D49 Y50 S51 A55 Y56 T57 Y65 I87 C95W44-F53 HydrophobicContact CB-CB 4.27Å; W44-F53 HydrophobicContact CD2-CB 4.23Å; W44-F53 AromaticContact CD2-CD2 4Å; W44-F53 HydrophobicContact CD2-CD2 4Å; W44-F53 AromaticContact CE3-CD2 3.92Å; W44-F53 HydrophobicContact CE3-CD2 3.92Å; W44-F53 HydrophobicContact CG-CB 3.88Å; W44-F53 HydrophobicContact CG-CD2 4.41Å; W44-F53 HydrophobicContact CZ3-CD2 4.31Å; L46-F53 HydrophobicContact CD2-CB 4.39Å; D49-F53 PolarHBondContact O-N 2.94Å; Y50-F53 HydrophobicContact CD2-CD1 4.27Å; Y50-F53 HydrophobicContact CE2-CD1 4.34Å; Y50-F53 PolarHBondContact O-N 3.38Å; S51-F53 VanDerWaalsContact C-N 3.3Å; S51-F53 PolarHBondContact O-N 2.55Å; F53-A55 PolarHBondContact O-N 2.75Å; F53-Y56 PolarHBondContact O-N 3.36Å; F53-T57 HydrophobicContact CD2-CG2 3.9Å; F53-T57 HydrophobicContact CE1-CG2 4.12Å; F53-T57 HydrophobicContact CE2-CG2 3.42Å; F53-T57 VanDerWaalsContact CE2-CG2 3.42Å; F53-T57 HydrophobicContact CG-CG2 4.42Å; F53-T57 HydrophobicContact CZ-CG2 3.54Å; F53-T57 VanDerWaalsContact O-CG2 3.27Å; F53-T57 WeakPolarHBondContact O-CG2 3.32Å; F53-T57 PolarHBondContact O-N 3.37Å; F53-T57 PolarHBondContact O-OG1 2.92Å; F53-Y65 AromaticContact CE2-CD1 3.86Å; F53-Y65 HydrophobicContact CE2-CD1 3.86Å; F53-Y65 AromaticContact CE2-CE1 3.83Å; F53-Y65 HydrophobicContact CE2-CE1 3.83Å; F53-Y65 HydrophobicContact CE2-CG 4.26Å; F53-I87 HydrophobicContact CE1-CB 4.49Å; F53-I87 HydrophobicContact CE1-CD1 3.96Å; F53-I87 HydrophobicContact CE1-CG2 4.3Å; F53-I87 HydrophobicContact CZ-CD1 3.58Å; F53-C95 WeakPolarHBondContact CE2-SG 3.4Å
54Q91.7Very high91.8Very high59 Ų5965.3 Ų65.328%0.27634%0.343SS..Hα-helixtrans-61.6-40.3175.3-75.9-156.9-0.300112.7Y50 S51 T57 R58Y50-Q54 HydrophobicContact CD1-CG 4.3Å; Y50-Q54 HydrophobicContact CE1-CG 3.95Å; Y50-Q54 WeakPolarHBondContact O-CG 3.25Å; Y50-Q54 PolarHBondContact O-N 3.09Å; Y50-Q54 PolarHBondContact OH-NE2 2.98Å; S51-Q54 PolarHBondContact O-N 3.43Å; Q54-T57 WeakPolarHBondContact CA-OG1 3.36Å; Q54-T57 PolarHBondContact O-N 3.26Å; Q54-T57 PolarHBondContact O-OG1 2.77Å; Q54-R58 WeakPolarHBondContact O-CD 3.49Å; Q54-R58 WeakPolarHBondContact O-CG 3.08Å; Q54-R58 PolarHBondContact O-N 2.94Å; Q54-R58 VanDerWaalsContact O-N 3.15Å
55A93Very high91.8Very high61 Ų6165.2 Ų65.250%0.50434%0.343SS..Hα-helixtrans-62.1-43.4175.800000111.5S51 F53 A59S51-A55 PolarHBondContact O-N 3.42Å; F53-A55 PolarHBondContact O-N 2.75Å; A55-A59 PolarHBondContact O-N 3.14Å
56Y93.4Very high91.8Very high42 Ų4265.8 Ų65.817%0.16535%0.345CS..Hα-helixtrans-65.4-44.5177.8-176.6-92.2000113W44 D52 F53 A59 K60 K63 Y65 V97W44-Y56 AromaticContact CH2-CD1 3.39Å; W44-Y56 HydrophobicContact CH2-CD1 3.39Å; W44-Y56 HydrophobicContact CH2-CD2 4.21Å; W44-Y56 AromaticContact CH2-CE1 3.68Å; W44-Y56 HydrophobicContact CH2-CE1 3.68Å; W44-Y56 HydrophobicContact CH2-CE2 4.43Å; W44-Y56 AromaticContact CH2-CG 3.69Å; W44-Y56 HydrophobicContact CH2-CG 3.69Å; W44-Y56 AromaticContact CZ2-CD1 3.61Å; W44-Y56 HydrophobicContact CZ2-CD1 3.61Å; W44-Y56 AromaticContact CZ2-CD2 3.86Å; W44-Y56 HydrophobicContact CZ2-CD2 3.86Å; W44-Y56 HydrophobicContact CZ2-CE1 4.26Å; W44-Y56 HydrophobicContact CZ2-CE2 4.46Å; W44-Y56 AromaticContact CZ2-CG 3.39Å; W44-Y56 HydrophobicContact CZ2-CG 3.39Å; W44-Y56 HydrophobicContact CZ3-CD1 4.48Å; D52-Y56 WeakPolarHBondContact O-CB 3.29Å; D52-Y56 PolarHBondContact O-N 2.79Å; F53-Y56 PolarHBondContact O-N 3.36Å; Y56-A59 CarbonylContact O-C 3.48Å; Y56-A59 PolarHBondContact O-N 2.87Å; Y56-K60 HydrophobicContact CD1-CB 4.45Å; Y56-K60 HydrophobicContact CE1-CB 4.03Å; Y56-K60 HydrophobicContact CE1-CG 4.27Å; Y56-K60 HydrophobicContact CE2-CG 4.15Å; Y56-K60 PolarHBondContact O-N 3.32Å; Y56-K63 HydrophobicContact CE1-CG 4.37Å; Y56-Y65 HydrophobicContact CD1-CE1 4.26Å; Y56-Y65 HydrophobicContact CE1-CE1 4.2Å; Y56-V97 HydrophobicContact CE1-CG2 4.22Å
57T90.8Very high91.9Very high12 Ų1265.5 Ų65.57%0.07434%0.344CS..Hα-helixtrans-66-41.1-177.555.30000112F53 Q54 A59 K60 K61 Y65 T84F53-T57 HydrophobicContact CD2-CG2 3.9Å; F53-T57 HydrophobicContact CE1-CG2 4.12Å; F53-T57 HydrophobicContact CE2-CG2 3.42Å; F53-T57 VanDerWaalsContact CE2-CG2 3.42Å; F53-T57 HydrophobicContact CG-CG2 4.42Å; F53-T57 HydrophobicContact CZ-CG2 3.54Å; F53-T57 VanDerWaalsContact O-CG2 3.27Å; F53-T57 WeakPolarHBondContact O-CG2 3.32Å; F53-T57 PolarHBondContact O-N 3.37Å; F53-T57 PolarHBondContact O-OG1 2.92Å; Q54-T57 WeakPolarHBondContact CA-OG1 3.36Å; Q54-T57 PolarHBondContact O-N 3.26Å; Q54-T57 PolarHBondContact O-OG1 2.77Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 2.91Å; T57-K60 CarbonylContact O-C 3.22Å; T57-K60 PolarHBondContact O-N 2.71Å; T57-K60 VanDerWaalsContact O-N 3.13Å; T57-K61 PolarHBondContact O-N 2.95Å; T57-Y65 HydrophobicContact CG2-CE1 4.32Å; T57-Y65 HydrophobicContact CG2-CE2 4.06Å; T57-Y65 WeakPolarHBondContact CG2-OH 3.49Å; T57-T84 HydrophobicContact CG2-CG2 3.49Å; T57-T84 VanDerWaalsContact CG2-CG2 3.49Å
58R89.7Confident91.9Very high174 Ų17463.6 Ų63.666%0.65733%0.331SS*.Hα-helixtrans-56.2-40172-69.4171-162.9-168.58111.8Q54Q54-R58 WeakPolarHBondContact O-CD 3.49Å; Q54-R58 WeakPolarHBondContact O-CG 3.08Å; Q54-R58 PolarHBondContact O-N 2.94Å; Q54-R58 VanDerWaalsContact O-N 3.15Å
59A91.9Very high91.6Very high70 Ų7061.9 Ų61.958%0.57931%0.313SS*.Hα-helixtrans-79.4-19.3178.300000114.6A55 Y56 T57A55-A59 PolarHBondContact O-N 3.14Å; Y56-A59 CarbonylContact O-C 3.48Å; Y56-A59 PolarHBondContact O-N 2.87Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 2.91Å
60K88.6Confident90.8Very high115 Ų11561.1 Ų61.150%0.531%0.309SS..  trans-137.360.8-173-62.4-63.6172.7-164.40112.6Y56 T57 H62 K63Y56-K60 HydrophobicContact CD1-CB 4.45Å; Y56-K60 HydrophobicContact CE1-CB 4.03Å; Y56-K60 HydrophobicContact CE1-CG 4.27Å; Y56-K60 HydrophobicContact CE2-CG 4.15Å; Y56-K60 PolarHBondContact O-N 3.32Å; T57-K60 CarbonylContact O-C 3.22Å; T57-K60 PolarHBondContact O-N 2.71Å; T57-K60 VanDerWaalsContact O-N 3.13Å; K60-H62 PolarHBondContact O-N 3.01Å; K60-K63 HydrophobicContact CB-CG 3.93Å; K60-K63 PolarHBondContact O-N 2.58Å
61K80.9Confident89.6Confident171 Ų17165.3 Ų65.374%0.74334%0.339SS*.THydrogen-bonded Turntrans-53.1-22.9-173.3-61.4-174.8179.8-179.30117.4T57T57-K61 PolarHBondContact O-N 2.95Å
62H85.6Confident88.4Confident175 Ų17562.7 Ų62.781%0.8133%0.325SS*.THydrogen-bonded Turntrans-102.29.4-176-55.9-68.6000114.4K60K60-H62 PolarHBondContact O-N 3.01Å
63K92.3Very high87.2Confident93 Ų9362.5 Ų62.540%0.40433%0.329SS..  trans-77.8150.5177.9-71.4-68.7176.6-173.10111.6Y56 K60 Y65 V97Y56-K63 HydrophobicContact CE1-CG 4.37Å; K60-K63 HydrophobicContact CB-CG 3.93Å; K60-K63 PolarHBondContact O-N 2.58Å; K63-Y65 HydrophobicContact CB-CE1 4.37Å; K63-Y65 HydrophobicContact CB-CE2 4.12Å; K63-Y65 WeakPolarHBondContact CB-OH 3.25Å; K63-Y65 WeakPolarHBondContact O-CE2 3.3Å; K63-V97 HydrophobicContact CD-CG1 4.44Å
64T95.3Very high86.2Confident7 Ų767.6 Ų67.64%0.04335%0.353CS..  trans-108.8142.6174.5-49.30000107.6I80 T81 K82 Y98 P144 V149T64-I80 HydrophobicContact CG2-CG2 3.51Å; T64-T81 WeakPolarHBondContact CG2-O 3.2Å; T64-K82 HydrophobicContact CG2-CG 4.04Å; T64-K82 PolarHBondContact OG1-NZ 3.32Å; T64-Y98 HydrophobicContact CG2-CD1 4.46Å; T64-Y98 WeakPolarHBondContact O-CB 3.43Å; T64-Y98 PolarHBondContact O-N 2.73Å; T64-P144 HydrophobicContact CG2-CB 3.8Å; T64-P144 HydrophobicContact CG2-CG 3.86Å; T64-V149 HydrophobicContact CG2-CG1 4.41Å
65Y95.6Very high85.3Confident4 Ų465.3 Ų65.32%0.01635%0.345CS..EExtended strand (participates in β ladder)trans-121.7145.8-175.5-55.2-84.1000109.8W44 F53 Y56 T57 K63 I80 T81 Q96 V97W44-Y65 HydrophobicContact CH2-CE1 4.37Å; W44-Y65 HydrophobicContact CZ3-CD1 4.29Å; W44-Y65 HydrophobicContact CZ3-CE1 4.09Å; F53-Y65 AromaticContact CE2-CD1 3.86Å; F53-Y65 HydrophobicContact CE2-CD1 3.86Å; F53-Y65 AromaticContact CE2-CE1 3.83Å; F53-Y65 HydrophobicContact CE2-CE1 3.83Å; F53-Y65 HydrophobicContact CE2-CG 4.26Å; Y56-Y65 HydrophobicContact CD1-CE1 4.26Å; Y56-Y65 HydrophobicContact CE1-CE1 4.2Å; T57-Y65 HydrophobicContact CG2-CE1 4.32Å; T57-Y65 HydrophobicContact CG2-CE2 4.06Å; T57-Y65 WeakPolarHBondContact CG2-OH 3.49Å; K63-Y65 HydrophobicContact CB-CE1 4.37Å; K63-Y65 HydrophobicContact CB-CE2 4.12Å; K63-Y65 WeakPolarHBondContact CB-OH 3.25Å; K63-Y65 WeakPolarHBondContact O-CE2 3.3Å; Y65-I80 CarbonylContact O-C 3.2Å; Y65-I80 WeakPolarHBondContact O-CA 3.45Å; Y65-I80 WeakPolarHBondContact O-CG2 3.21Å; Y65-T81 PolarHBondContact N-O 3.23Å; Y65-T81 PolarHBondContact O-N 3.37Å; Y65-Q96 CarbonylContact C-O 3.6Å; Y65-Q96 VanDerWaalsContact CA-O 3.31Å; Y65-Q96 WeakPolarHBondContact CA-O 3.49Å; Y65-V97 HydrophobicContact CE1-CG2 4.36Å
66I95.9Very high84.5Confident13 Ų1369.6 Ų69.67%0.06735%0.352CS..EExtended strand (participates in β ladder)trans-115.3122.5170.3-177.6169.3000108.3K68 I78 I80 Q96 Y98 L156I66-K68 HydrophobicContact CG1-CG 4.3Å; I66-I78 HydrophobicContact CD1-CG2 3.77Å; I66-I78 HydrophobicContact CG1-CG2 3.67Å; I66-I80 HydrophobicContact CB-CG1 4.25Å; I66-I80 HydrophobicContact CD1-CG1 4.29Å; I66-I80 HydrophobicContact CG1-CG1 4.05Å; I66-Q96 HydrophobicContact CG2-CB 3.97Å; I66-Q96 HydrophobicContact CG2-CG 4.23Å; I66-Q96 PolarHBondContact N-O 2.97Å; I66-Q96 PolarHBondContact O-N 3.13Å; I66-Y98 HydrophobicContact CB-CD2 3.99Å; I66-Y98 HydrophobicContact CD1-CD2 4.3Å; I66-Y98 HydrophobicContact CG2-CD2 4.15Å; I66-L156 HydrophobicContact CD1-CD2 3.9Å
67C94.9Very high84.1Confident0 Ų070.1 Ų70.10%037%0.371CS..EExtended strand (participates in β ladder)trans-103.2129.7-175.4-62.60000108.2I78 F79 M93 I94C67-I78 VanDerWaalsContact O-CA 3.32Å; C67-I78 WeakPolarHBondContact O-CA 3.24Å; C67-F79 HydrophobicContact CB-CD1 3.79Å; C67-F79 HydrophobicContact CB-CD2 4.09Å; C67-F79 HydrophobicContact CB-CE1 3.45Å; C67-F79 VanDerWaalsContact CB-CE1 3.45Å; C67-F79 HydrophobicContact CB-CE2 3.77Å; C67-F79 HydrophobicContact CB-CG 4.1Å; C67-F79 HydrophobicContact CB-CZ 3.46Å; C67-F79 VanDerWaalsContact CB-CZ 3.46Å; C67-F79 PolarHBondContact N-O 2.81Å; C67-F79 PolarHBondContact O-N 3.42Å; C67-M93 HydrophobicContact CB-CE 3.53Å; C67-M93 HydrophobicContact CB-SD 3.93Å; C67-M93 VanDerWaalsContact SG-CE 3.59Å; C67-I94 WeakPolarHBondContact CA-O 3.49Å
68K92.8Very high84.1Confident11 Ų1171.1 Ų71.15%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-134.9126.8-175.1-45.5178.4-166.4166.50109.5K19 I66 I78 M93 I94K19-K68 HydrophobicContact CD-CB 4.11Å; K19-K68 HydrophobicContact CD-CD 4.46Å; I66-K68 HydrophobicContact CG1-CG 4.3Å; K68-I78 HydrophobicContact CB-CD1 4.48Å; K68-I78 HydrophobicContact CB-CG1 4.25Å; K68-I78 HydrophobicContact CD-CD1 4.33Å; K68-I78 HydrophobicContact CG-CD1 4.08Å; K68-I78 HydrophobicContact CG-CG1 4.16Å; K68-I78 HydrophobicContact CG-CG2 4.41Å; K68-M93 WeakPolarHBondContact O-CB 3.36Å; K68-I94 HydrophobicContact CB-CD1 4.37Å; K68-I94 HydrophobicContact CB-CG1 3.88Å; K68-I94 HydrophobicContact CD-CD1 4.16Å; K68-I94 HydrophobicContact CG-CG1 4.46Å; K68-I94 PolarHBondContact N-O 3.09Å; K68-I94 WeakPolarHBondContact O-CG1 3.36Å; K68-I94 PolarHBondContact O-N 3.18Å
69P87.9Confident84.2Confident38 Ų3866.4 Ų66.425%0.24736%0.36CS..EExtended strand (participates in β ladder)trans-57.6146.3176-24.133.6000112.2T71 G77P69-T71 VanDerWaalsContact C-N 3.26Å; P69-T71 PolarHBondContact O-N 3.05Å; P69-G77 WeakPolarHBondContact CD-O 3.39Å
70D75.4Confident84.4Confident32 Ų3263.8 Ų63.817%0.17134%0.336CS..THydrogen-bonded Turntrans-58.5-40.7178.5-69.7-19.1000111.7M93D70-M93 VanDerWaalsContact OD1-CA 3.3Å; D70-M93 WeakPolarHBondContact OD1-CA 3.48Å
71T68.3Low84.6Confident127 Ų12758.4 Ų58.478%0.77931%0.313SS*.THydrogen-bonded Turntrans-11577178.647.70000110.7P69P69-T71 VanDerWaalsContact C-N 3.26Å; P69-T71 PolarHBondContact O-N 3.05Å
72G66Low85.1Confident28 Ų2853.5 Ų53.529%0.28929%0.291SS..  trans-146.7142.1179.800000113.9K19K19-G72 PolarHBondContact NZ-O 3.24Å
73C68.9Low85.2Confident79 Ų7946.7 Ų46.753%0.53426%0.264SS..  trans-131.8173174.368.20000110.8G75 K76C73-G75 PolarHBondContact O-N 3.25Å; C73-K76 PolarHBondContact O-N 3.13Å
74Q72.1Confident84.8Confident109 Ų10945.3 Ų45.351%0.50926%0.263SS..THydrogen-bonded Turntrans59.913.5175.8-60.6177.3-1000115.7K76 S160Q74-K76 VanDerWaalsContact C-N 3.33Å; Q74-S160 WeakPolarHBondContact CA-OG 3.32Å; Q74-S160 WeakPolarHBondContact CB-OG 3.37Å; Q74-S160 PolarHBondContact O-OG 2.64Å
75G72.2Confident84.4Confident11 Ų1153.1 Ų53.111%0.11330%0.296CS..THydrogen-bonded Turntrans79.55.3-17800000115.5C73 I78C73-G75 PolarHBondContact O-N 3.25Å; G75-I78 PolarHBondContact O-N 2.9Å
76K75.9Confident83.9Confident150 Ų15056.1 Ų56.165%0.65231%0.313SS*.THydrogen-bonded Turntrans-67.5135.4178.7-64.5-176.4179.6-178.30111.2C73 Q74 I78C73-K76 PolarHBondContact O-N 3.13Å; Q74-K76 VanDerWaalsContact C-N 3.33Å; K76-I78 PolarHBondContact O-N 2.88Å
77G84.7Confident83.6Confident54 Ų5455.6 Ų55.656%0.55731%0.31SS*.THydrogen-bonded Turntrans71.26.2-178.500000114.9P69P69-G77 WeakPolarHBondContact CD-O 3.39Å
78I91.4Very high83.1Confident33 Ų3360.6 Ų60.617%0.16933%0.333CS..  trans-79.8129.1172.1-61.1-172.9000109I66 C67 K68 G75 K76 L156I66-I78 HydrophobicContact CD1-CG2 3.77Å; I66-I78 HydrophobicContact CG1-CG2 3.67Å; C67-I78 VanDerWaalsContact O-CA 3.32Å; C67-I78 WeakPolarHBondContact O-CA 3.24Å; K68-I78 HydrophobicContact CB-CD1 4.48Å; K68-I78 HydrophobicContact CB-CG1 4.25Å; K68-I78 HydrophobicContact CD-CD1 4.33Å; K68-I78 HydrophobicContact CG-CD1 4.08Å; K68-I78 HydrophobicContact CG-CG1 4.16Å; K68-I78 HydrophobicContact CG-CG2 4.41Å; G75-I78 PolarHBondContact O-N 2.9Å; K76-I78 PolarHBondContact O-N 2.88Å; I78-L156 HydrophobicContact CB-CD1 3.94Å; I78-L156 HydrophobicContact CG2-CD1 3.84Å; I78-L156 HydrophobicContact CG2-CD2 4Å
79F92.8Very high82.7Confident74 Ų7464.2 Ų64.233%0.32536%0.358SS..EExtended strand (participates in β ladder)trans-131.1159170.867-85.7000111C67 T81 I87 M93C67-F79 HydrophobicContact CB-CD1 3.79Å; C67-F79 HydrophobicContact CB-CD2 4.09Å; C67-F79 HydrophobicContact CB-CE1 3.45Å; C67-F79 VanDerWaalsContact CB-CE1 3.45Å; C67-F79 HydrophobicContact CB-CE2 3.77Å; C67-F79 HydrophobicContact CB-CG 4.1Å; C67-F79 HydrophobicContact CB-CZ 3.46Å; C67-F79 VanDerWaalsContact CB-CZ 3.46Å; C67-F79 PolarHBondContact N-O 2.81Å; C67-F79 PolarHBondContact O-N 3.42Å; F79-T81 HydrophobicContact CD2-CG2 4.4Å; F79-T81 HydrophobicContact CE2-CG2 4.09Å; F79-I87 HydrophobicContact CE2-CG1 4.37Å; F79-I87 HydrophobicContact CZ-CG1 4.41Å; F79-M93 HydrophobicContact CE1-CE 4.27Å; F79-M93 HydrophobicContact CE1-SD 4Å; F79-M93 HydrophobicContact CZ-CE 3.93Å; F79-M93 HydrophobicContact CZ-SD 4.24Å
80I95.2Very high82.5Confident16 Ų1664.5 Ų64.58%0.08237%0.368CS..EExtended strand (participates in β ladder)trans-119.4134.6178.9-60.4173.8000107.3T64 Y65 I66 Y98 V149 H155 L156T64-I80 HydrophobicContact CG2-CG2 3.51Å; Y65-I80 CarbonylContact O-C 3.2Å; Y65-I80 WeakPolarHBondContact O-CA 3.45Å; Y65-I80 WeakPolarHBondContact O-CG2 3.21Å; I66-I80 HydrophobicContact CB-CG1 4.25Å; I66-I80 HydrophobicContact CD1-CG1 4.29Å; I66-I80 HydrophobicContact CG1-CG1 4.05Å; I80-Y98 HydrophobicContact CD1-CD2 4.15Å; I80-Y98 HydrophobicContact CD1-CE2 3.7Å; I80-V149 HydrophobicContact CB-CB 4.24Å; I80-V149 HydrophobicContact CB-CG1 4.4Å; I80-V149 HydrophobicContact CG2-CB 4.1Å; I80-V149 HydrophobicContact CG2-CG1 3.71Å; I80-H155 HydrophobicContact CD1-CB 3.38Å; I80-L156 HydrophobicContact CD1-CD2 4.44Å
81T93.2Very high83.1Confident1 Ų165.9 Ų65.91%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-141.3152.2179.4-178.70000112.8T64 Y65 F79 S83 D86 I87T64-T81 WeakPolarHBondContact CG2-O 3.2Å; Y65-T81 PolarHBondContact N-O 3.23Å; Y65-T81 PolarHBondContact O-N 3.37Å; F79-T81 HydrophobicContact CD2-CG2 4.4Å; F79-T81 HydrophobicContact CE2-CG2 4.09Å; T81-S83 PolarHBondContact OG1-N 3.06Å; T81-S83 PolarHBondContact OG1-O 2.85Å; T81-S83 VanDerWaalsContact OG1-O 3.07Å; T81-D86 WeakPolarHBondContact CB-OD2 3.45Å; T81-D86 HydrophobicContact CG2-CB 4.39Å; T81-D86 PolarHBondContact OG1-OD2 3.4Å; T81-I87 HydrophobicContact CG2-CD1 3.92Å; T81-I87 HydrophobicContact CG2-CG1 4.22Å
82K91.1Very high84.1Confident69 Ų6966.5 Ų66.530%0.337%0.367SS..SBendtrans-106.5-9.4167.8-53.4-178.576.275.70111.9T64 P144 V149T64-K82 HydrophobicContact CG2-CG 4.04Å; T64-K82 PolarHBondContact OG1-NZ 3.32Å; K82-P144 PolarHBondContact NZ-O 2.68Å; K82-V149 HydrophobicContact CG-CG1 4.28Å
83S87.6Confident85.4Confident32 Ų3265.8 Ų65.822%0.22436%0.356CS..  trans-104.4125.8-177.3161.40000110.2T81 K85 D86T81-S83 PolarHBondContact OG1-N 3.06Å; T81-S83 PolarHBondContact OG1-O 2.85Å; T81-S83 VanDerWaalsContact OG1-O 3.07Å; S83-K85 PolarHBondContact O-N 2.75Å; S83-K85 WeakPolarHBondContact OG-CB 3.09Å; S83-K85 PolarHBondContact OG-N 2.8Å; S83-D86 WeakPolarHBondContact CB-OD1 3.19Å; S83-D86 WeakPolarHBondContact CB-OD2 3.4Å; S83-D86 PolarHBondContact O-N 3.29Å; S83-D86 PolarHBondContact OG-OD1 2.86Å
84T83.9Confident86.6Confident63 Ų6362.2 Ų62.239%0.38733%0.332SS..G310 helixtrans-74.1-9.117559.60000113.2T57 D86T57-T84 HydrophobicContact CG2-CG2 3.49Å; T57-T84 VanDerWaalsContact CG2-CG2 3.49Å; T84-D86 VanDerWaalsContact C-N 3.26Å
85K85.6Confident87.7Confident171 Ų17157 Ų5774%0.74331%0.307SS*.G310 helixtrans-76.9-18.6177.8-59.5-177.9178.1-177.90112.1S83 I87 Q88S83-K85 PolarHBondContact O-N 2.75Å; S83-K85 WeakPolarHBondContact OG-CB 3.09Å; S83-K85 PolarHBondContact OG-N 2.8Å; K85-I87 PolarHBondContact O-N 3.22Å; K85-Q88 PolarHBondContact O-NE2 3.27Å
86D86.8Confident88.9Confident68 Ų6856.6 Ų56.636%0.36430%0.303SS..G310 helixtrans-83.1-0.6-176.4-45.71.8000111.6T81 S83 T84T81-D86 WeakPolarHBondContact CB-OD2 3.45Å; T81-D86 HydrophobicContact CG2-CB 4.39Å; T81-D86 PolarHBondContact OG1-OD2 3.4Å; S83-D86 WeakPolarHBondContact CB-OD1 3.19Å; S83-D86 WeakPolarHBondContact CB-OD2 3.4Å; S83-D86 PolarHBondContact O-N 3.29Å; S83-D86 PolarHBondContact OG-OD1 2.86Å; T84-D86 VanDerWaalsContact C-N 3.26Å
87I88.8Confident89.9Confident1 Ų150.5 Ų50.51%0.00528%0.278CS..SBendtrans-123.598.3-177.6-60.5164.9000107.5L46 Y50 F53 F79 T81 K85 M93L46-I87 HydrophobicContact CD1-CG2 3.49Å; L46-I87 VanDerWaalsContact CD1-CG2 3.49Å; Y50-I87 HydrophobicContact CE2-CG2 4.36Å; Y50-I87 PolarHBondContact OH-O 3.42Å; F53-I87 HydrophobicContact CE1-CB 4.49Å; F53-I87 HydrophobicContact CE1-CD1 3.96Å; F53-I87 HydrophobicContact CE1-CG2 4.3Å; F53-I87 HydrophobicContact CZ-CD1 3.58Å; F79-I87 HydrophobicContact CE2-CG1 4.37Å; F79-I87 HydrophobicContact CZ-CG1 4.41Å; T81-I87 HydrophobicContact CG2-CD1 3.92Å; T81-I87 HydrophobicContact CG2-CG1 4.22Å; K85-I87 PolarHBondContact O-N 3.22Å; I87-M93 HydrophobicContact CB-CE 4.48Å; I87-M93 HydrophobicContact CG1-CE 4.12Å; I87-M93 HydrophobicContact CG2-CE 3.78Å
88Q85.3Confident90.5Very high106 Ų10648.6 Ų48.650%0.49525%0.254SS..  trans-74.7148.3-175.1-58.4-57.6-29.300112.2K85 G90 E91K85-Q88 PolarHBondContact O-NE2 3.27Å; Q88-G90 PolarHBondContact O-N 3.18Å; Q88-E91 HydrophobicContact CB-CG 4.12Å; Q88-E91 VanDerWaalsContact CB-OE1 3.26Å; Q88-E91 WeakPolarHBondContact CB-OE1 3.4Å; Q88-E91 WeakPolarHBondContact CG-OE1 3.37Å; Q88-E91 VanDerWaalsContact N-CD 3.28Å; Q88-E91 PolarHBondContact N-OE1 3.13Å; Q88-E91 VanDerWaalsContact N-OE1 3.11Å; Q88-E91 PolarHBondContact N-OE2 3.27Å; Q88-E91 PolarHBondContact O-N 3.48Å
89P84.6Confident90.8Very high87 Ų8748.2 Ų48.257%0.56525%0.252SS*.THydrogen-bonded Turntrans-58.4131.4166.7-14.526.4000110.2Y50Y50-P89 HydrophobicContact CD1-CB 4.48Å; Y50-P89 HydrophobicContact CE1-CB 3.93Å; Y50-P89 HydrophobicContact CE1-CG 3.88Å
90G83.6Confident90.9Very high44 Ų4446.4 Ų46.445%0.45425%0.248SC..THydrogen-bonded Turntrans98.1-7.817900000115.5Q88Q88-G90 PolarHBondContact O-N 3.18Å
91E86Confident91Very high61 Ų6150.5 Ų50.529%0.28527%0.266SS..  trans-66.8135.5174.7-72.7173.5-17200112.4L46 P47 Q88 M93L46-E91 CarbonylContact C-O 3.49Å; L46-E91 VanDerWaalsContact CB-O 3.29Å; L46-E91 WeakPolarHBondContact CB-O 3.28Å; P47-E91 WeakPolarHBondContact CD-O 3.19Å; Q88-E91 HydrophobicContact CB-CG 4.12Å; Q88-E91 VanDerWaalsContact CB-OE1 3.26Å; Q88-E91 WeakPolarHBondContact CB-OE1 3.4Å; Q88-E91 WeakPolarHBondContact CG-OE1 3.37Å; Q88-E91 VanDerWaalsContact N-CD 3.28Å; Q88-E91 PolarHBondContact N-OE1 3.13Å; Q88-E91 VanDerWaalsContact N-OE1 3.11Å; Q88-E91 PolarHBondContact N-OE2 3.27Å; Q88-E91 PolarHBondContact O-N 3.48Å; E91-M93 HydrophobicContact CB-CG 4.33Å
92H89.6Confident91.2Very high140 Ų14050.8 Ų50.865%0.64827%0.268SS*.  trans-96.493.1-180-76.6-83.8000111.2
93M93.4Very high91.5Very high13 Ų1349 Ų496%0.06426%0.26CS..EExtended strand (participates in β ladder)trans-166.8166.2-177.356.1175.2-145.300111.7L46 C67 K68 D70 F79 I87 E91L46-M93 WeakPolarHBondContact CA-O 3.11Å; L46-M93 WeakPolarHBondContact CB-O 3.3Å; L46-M93 HydrophobicContact CD1-CE 4.09Å; L46-M93 PolarHBondContact N-O 3.22Å; C67-M93 HydrophobicContact CB-CE 3.53Å; C67-M93 HydrophobicContact CB-SD 3.93Å; C67-M93 VanDerWaalsContact SG-CE 3.59Å; K68-M93 WeakPolarHBondContact O-CB 3.36Å; D70-M93 VanDerWaalsContact OD1-CA 3.3Å; D70-M93 WeakPolarHBondContact OD1-CA 3.48Å; F79-M93 HydrophobicContact CE1-CE 4.27Å; F79-M93 HydrophobicContact CE1-SD 4Å; F79-M93 HydrophobicContact CZ-CE 3.93Å; F79-M93 HydrophobicContact CZ-SD 4.24Å; I87-M93 HydrophobicContact CB-CE 4.48Å; I87-M93 HydrophobicContact CG1-CE 4.12Å; I87-M93 HydrophobicContact CG2-CE 3.78Å; E91-M93 HydrophobicContact CB-CG 4.33Å
94I94.9Very high91.9Very high3 Ų350.3 Ų50.32%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-90.2133.3164.963.9157.1000111.2K19 D20 T43 W44 C67 K68K19-I94 HydrophobicContact CB-CD1 3.78Å; K19-I94 HydrophobicContact CB-CG1 4.11Å; K19-I94 HydrophobicContact CB-CG2 4.46Å; K19-I94 HydrophobicContact CG-CD1 4.3Å; D20-I94 HydrophobicContact CB-CG2 4.32Å; T43-I94 HydrophobicContact CG2-CB 3.87Å; T43-I94 HydrophobicContact CG2-CD1 3.96Å; T43-I94 HydrophobicContact CG2-CG1 4.48Å; T43-I94 HydrophobicContact CG2-CG2 4.36Å; W44-I94 WeakPolarHBondContact O-CA 3.04Å; C67-I94 WeakPolarHBondContact CA-O 3.49Å; K68-I94 HydrophobicContact CB-CD1 4.37Å; K68-I94 HydrophobicContact CB-CG1 3.88Å; K68-I94 HydrophobicContact CD-CD1 4.16Å; K68-I94 HydrophobicContact CG-CG1 4.46Å; K68-I94 PolarHBondContact N-O 3.09Å; K68-I94 WeakPolarHBondContact O-CG1 3.36Å; K68-I94 PolarHBondContact O-N 3.18Å
95C95.9Very high92.4Very high0 Ų047.5 Ų47.50%025%0.246CC..EExtended strand (participates in β ladder)trans-103126.1166.5178.20000108.4T43 W44 L46 F53T43-C95 CarbonylContact C-O 3.54Å; T43-C95 VanDerWaalsContact CA-O 3.32Å; T43-C95 WeakPolarHBondContact CA-O 3.49Å; T43-C95 WeakPolarHBondContact CG2-O 3.36Å; W44-C95 PolarHBondContact N-O 3.17Å; W44-C95 PolarHBondContact O-N 3.11Å; L46-C95 HydrophobicContact CD1-CB 3.92Å; L46-C95 HydrophobicContact CG-CB 4.29Å; F53-C95 WeakPolarHBondContact CE2-SG 3.4Å
96Q96.9Very high92.8Very high3 Ų343.2 Ų43.21%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-127.5141.7-174.7175.8170.384.100110.8F40 P41 T43 Y65 I66 Y98F40-Q96 VanDerWaalsContact CZ-NE2 3.27Å; P41-Q96 HydrophobicContact CB-CG 3.77Å; P41-Q96 HydrophobicContact CG-CG 4.46Å; T43-Q96 HydrophobicContact CG2-CB 4.13Å; T43-Q96 WeakPolarHBondContact OG1-CG 3.49Å; T43-Q96 PolarHBondContact OG1-NE2 2.81Å; Y65-Q96 CarbonylContact C-O 3.6Å; Y65-Q96 VanDerWaalsContact CA-O 3.31Å; Y65-Q96 WeakPolarHBondContact CA-O 3.49Å; I66-Q96 HydrophobicContact CG2-CB 3.97Å; I66-Q96 HydrophobicContact CG2-CG 4.23Å; I66-Q96 PolarHBondContact N-O 2.97Å; I66-Q96 PolarHBondContact O-N 3.13Å; Q96-Y98 PolarHBondContact O-N 2.91Å
97V96.6Very high93.1Very high21 Ų2148.7 Ų48.713%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-63.5122.2171.9178.20000109.4P41 R42 W44 Y56 K63 Y65P41-V97 WeakPolarHBondContact CB-O 3.45Å; R42-V97 HydrophobicContact CB-CG2 4.04Å; R42-V97 PolarHBondContact O-N 2.57Å; W44-V97 HydrophobicContact CH2-CG2 3.69Å; W44-V97 HydrophobicContact CZ3-CG2 3.63Å; Y56-V97 HydrophobicContact CE1-CG2 4.22Å; K63-V97 HydrophobicContact CD-CG1 4.44Å; Y65-V97 HydrophobicContact CE1-CG2 4.36Å
98Y97.2Very high93.4Very high15 Ų1551.2 Ų51.26%0.05926%0.258CS..  trans-75.3134178.4-176.5-95.7000111.4T64 I66 I80 Q96 S100 K109 Y141 P144 H155T64-Y98 HydrophobicContact CG2-CD1 4.46Å; T64-Y98 WeakPolarHBondContact O-CB 3.43Å; T64-Y98 PolarHBondContact O-N 2.73Å; I66-Y98 HydrophobicContact CB-CD2 3.99Å; I66-Y98 HydrophobicContact CD1-CD2 4.3Å; I66-Y98 HydrophobicContact CG2-CD2 4.15Å; I80-Y98 HydrophobicContact CD1-CD2 4.15Å; I80-Y98 HydrophobicContact CD1-CE2 3.7Å; Q96-Y98 PolarHBondContact O-N 2.91Å; Y98-S100 PolarHBondContact O-N 3.01Å; Y98-S100 VanDerWaalsContact O-N 3.12Å; Y98-K109 PolarHBondContact OH-NZ 3.27Å; Y98-K109 VanDerWaalsContact OH-NZ 3.1Å; Y98-Y141 WeakPolarHBondContact CE1-OH 3.48Å; Y98-P144 HydrophobicContact CD1-CG 3.95Å; Y98-P144 HydrophobicContact CE1-CG 3.97Å; Y98-H155 PolarHBondContact OH-ND1 3.16Å
99I97.5Very high94Very high25 Ų2546.6 Ų46.613%0.12824%0.236CC..  trans-77.695.6174.1-63162.6000108P41 K101 L242 D244 W250 L252P41-I99 HydrophobicContact CG-CD1 3.84Å; P41-I99 HydrophobicContact CG-CG1 4.27Å; I99-K101 VanDerWaalsContact C-N 3.32Å; I99-K101 PolarHBondContact O-N 2.87Å; I99-L242 HydrophobicContact CB-CD2 4.01Å; I99-L242 HydrophobicContact CD1-CD2 3.88Å; I99-L242 HydrophobicContact CD1-CG 4.46Å; I99-L242 HydrophobicContact CG2-CD2 4.2Å; I99-D244 HydrophobicContact CG2-CB 4.24Å; I99-W250 HydrophobicContact CD1-CB 3.54Å; I99-W250 HydrophobicContact CD1-CD2 4.13Å; I99-W250 HydrophobicContact CD1-CG 3.56Å; I99-L252 HydrophobicContact CD1-CD2 4.45Å
100S95.9Very high94.6Very high36 Ų3642.7 Ų42.725%0.25221%0.21SC..SBendtrans-76.2-15.8-175.971.30000114.8Y98 P102 Y141 E143Y98-S100 PolarHBondContact O-N 3.01Å; Y98-S100 VanDerWaalsContact O-N 3.12Å; S100-P102 WeakPolarHBondContact O-CD 2.93Å; S100-Y141 PolarHBondContact O-OH 3.06Å; S100-E143 PolarHBondContact OG-OE2 3.29Å
101K97.3Very high95.3Very high102 Ų10240.7 Ų40.744%0.44319%0.189SC..SBendtrans-123.367.7178.6-64-172.6171.1-169.30110.6I99 E143 D244 H245I99-K101 VanDerWaalsContact C-N 3.32Å; I99-K101 PolarHBondContact O-N 2.87Å; K101-E143 WeakPolarHBondContact CE-OE1 3.4Å; K101-E143 IonicContact NZ-OE1 3.44Å; K101-D244 WeakPolarHBondContact O-CA 3.24Å; K101-H245 HydrophobicContact CB-CB 4.29Å; K101-H245 VanDerWaalsContact CB-ND1 3.3Å; K101-H245 WeakPolarHBondContact CB-ND1 3.41Å; K101-H245 PolarHBondContact O-N 3.38Å; K101-H245 PolarHBondContact O-ND1 2.91Å; K101-H245 VanDerWaalsContact O-ND1 3.07Å
102P97.7Very high95.9Very high7 Ų737.9 Ų37.95%0.04518%0.176CC..BIsolated β-bridgetrans-64.7164.8171.132.2-36.9000110.8S100 I104 K109 Y141 L242 L243S100-P102 WeakPolarHBondContact O-CD 2.93Å; P102-I104 HydrophobicContact CG-CD1 3.79Å; P102-I104 HydrophobicContact CG-CG1 4.38Å; P102-K109 HydrophobicContact CB-CG 4.34Å; P102-K109 HydrophobicContact CG-CD 4.34Å; P102-K109 HydrophobicContact CG-CG 4.18Å; P102-Y141 WeakPolarHBondContact CD-OH 3.31Å; P102-Y141 HydrophobicContact CG-CD1 4.21Å; P102-Y141 HydrophobicContact CG-CE1 3.76Å; P102-Y141 HydrophobicContact CG-CE2 4.15Å; P102-L242 HydrophobicContact CB-CD1 4.03Å; P102-L242 HydrophobicContact CB-CD2 4.41Å; P102-L242 HydrophobicContact CB-CG 4.42Å; P102-L243 CarbonylContact C-O 3.48Å; P102-L243 WeakPolarHBondContact CA-O 3.3Å
103F97.3Very high96.3Very high32 Ų3232.3 Ų32.314%0.1415%0.149CC..  trans-69.1144.4160.9-162-102.5000109I105 F110 L187 M190 L243 L247F103-I105 HydrophobicContact CD1-CD1 4.37Å; F103-I105 HydrophobicContact CD1-CG1 4.15Å; F103-I105 HydrophobicContact CE1-CD1 4.12Å; F103-I105 HydrophobicContact CE1-CG1 3.83Å; F103-F110 AromaticContact CD1-CE1 3.87Å; F103-F110 HydrophobicContact CD1-CE1 3.87Å; F103-F110 AromaticContact CD1-CZ 3.87Å; F103-F110 HydrophobicContact CD1-CZ 3.87Å; F103-L187 HydrophobicContact CD1-CD2 4.33Å; F103-L187 HydrophobicContact CE1-CD2 3.56Å; F103-L187 HydrophobicContact CZ-CD2 4.01Å; F103-M190 HydrophobicContact CE1-CE 3.99Å; F103-M190 HydrophobicContact CZ-CE 4.05Å; F103-L243 HydrophobicContact CB-CB 3.83Å; F103-L243 PolarHBondContact N-O 3.39Å; F103-L247 HydrophobicContact CD1-CD2 4.2Å; F103-L247 HydrophobicContact CD2-CD2 3.57Å; F103-L247 HydrophobicContact CD2-CG 4.17Å; F103-L247 HydrophobicContact CE1-CD2 4.26Å; F103-L247 HydrophobicContact CE2-CD2 3.63Å; F103-L247 HydrophobicContact CE2-CG 4.14Å; F103-L247 HydrophobicContact CG-CD2 3.87Å; F103-L247 HydrophobicContact CZ-CD2 3.99Å
104I96Very high96.5Very high59 Ų5931.7 Ų31.730%0.30315%0.146SC..EExtended strand (participates in β ladder)trans-132131.9-170.9-66.1-61.5000108.9P102 K109 Y141P102-I104 HydrophobicContact CG-CD1 3.79Å; P102-I104 HydrophobicContact CG-CG1 4.38Å; I104-K109 HydrophobicContact CD1-CB 3.98Å; I104-Y141 HydrophobicContact CD1-CD1 3.68Å; I104-Y141 HydrophobicContact CD1-CD2 4.49Å; I104-Y141 HydrophobicContact CD1-CG 3.66Å; I104-Y141 HydrophobicContact CG1-CD1 4.26Å
105I94.4Very high96.7Very high4 Ų431.6 Ų31.62%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-123.9136.3175-71.8168.7000107.2F103 R107 F108 F110 F136 L183 L187 M190F103-I105 HydrophobicContact CD1-CD1 4.37Å; F103-I105 HydrophobicContact CD1-CG1 4.15Å; F103-I105 HydrophobicContact CE1-CD1 4.12Å; F103-I105 HydrophobicContact CE1-CG1 3.83Å; I105-R107 PolarHBondContact O-N 2.79Å; I105-F108 PolarHBondContact N-O 2.76Å; I105-F108 PolarHBondContact O-N 3.38Å; I105-F110 HydrophobicContact CB-CD1 4.39Å; I105-F110 HydrophobicContact CB-CE1 4.17Å; I105-F110 HydrophobicContact CD1-CD1 4.31Å; I105-F110 HydrophobicContact CD1-CE1 3.56Å; I105-F110 HydrophobicContact CD1-CZ 3.7Å; I105-F110 HydrophobicContact CG1-CD1 4.48Å; I105-F110 HydrophobicContact CG1-CE1 3.79Å; I105-F110 HydrophobicContact CG1-CZ 4.37Å; I105-F136 HydrophobicContact CB-CE1 4Å; I105-F136 HydrophobicContact CG2-CE1 3.97Å; I105-F136 HydrophobicContact CG2-CZ 4.45Å; I105-L183 HydrophobicContact CD1-CD1 3.32Å; I105-L187 HydrophobicContact CD1-CD2 4.47Å; I105-M190 HydrophobicContact CD1-CE 4.45Å; I105-M190 HydrophobicContact CG1-CE 4.23Å
106D92.1Very high96.8Very high80 Ų8031.6 Ų31.643%0.42815%0.146SC..THydrogen-bonded Turntrans54.623.4-178.2-54.2-37000114.8F108 R178D106-F108 VanDerWaalsContact C-N 3.28Å; D106-F108 HydrophobicContact CB-CD2 3.99Å; D106-F108 HydrophobicContact CB-CE2 4.44Å; D106-F108 WeakPolarHBondContact O-CD2 3.37Å; D106-F108 WeakPolarHBondContact O-CE2 3.4Å; D106-F108 PolarHBondContact O-N 3.35Å; D106-R178 IonicContact OD2-CZ 3.4Å; D106-R178 IonicContact OD2-NH1 3.1Å; D106-R178 PolarHBondContact OD2-NH1 2.92Å; D106-R178 VanDerWaalsContact OD2-NH1 3.1Å; D106-R178 IonicContact OD2-NH2 2.74Å; D106-R178 PolarHBondContact OD2-NH2 2.87Å
107R94.4Very high96.9Very high184 Ų18431.5 Ų31.569%0.69415%0.145SC*.THydrogen-bonded Turntrans68.511-169.1-51.8-176.8-179.4-129.32.3115.6I105 K140 Y141I105-R107 PolarHBondContact O-N 2.79Å; R107-K140 HydrophobicContact CB-CB 4.34Å; R107-K140 HydrophobicContact CB-CD 4.37Å; R107-K140 HydrophobicContact CB-CG 4.13Å; R107-K140 CarbonylContact O-C 3.55Å; R107-K140 WeakPolarHBondContact O-CA 3.41Å; R107-Y141 PolarHBondContact O-N 3.1Å
108F95.8Very high97Very high53 Ų5330.5 Ų30.523%0.23214%0.139CC..EExtended strand (participates in β ladder)trans-103.8144.1175.5-61.1-83.1000111.9I105 D106 F136 C137 R139 K140I105-F108 PolarHBondContact N-O 2.76Å; I105-F108 PolarHBondContact O-N 3.38Å; D106-F108 VanDerWaalsContact C-N 3.28Å; D106-F108 HydrophobicContact CB-CD2 3.99Å; D106-F108 HydrophobicContact CB-CE2 4.44Å; D106-F108 WeakPolarHBondContact O-CD2 3.37Å; D106-F108 WeakPolarHBondContact O-CE2 3.4Å; D106-F108 PolarHBondContact O-N 3.35Å; F108-F136 HydrophobicContact CB-CD1 4.17Å; F108-C137 WeakPolarHBondContact CD1-O 3.46Å; F108-R139 WeakPolarHBondContact CD1-O 3.16Å; F108-K140 HydrophobicContact CE1-CG 3.99Å; F108-K140 HydrophobicContact CZ-CG 3.97Å
109K97.4Very high96.9Very high10 Ų1030.2 Ų30.24%0.04314%0.139CC..EExtended strand (participates in β ladder)trans-75.5141.7166.3175.1-176.7176.8-175.10108.8Y98 P102 I104 C137 Y141 H155 T157Y98-K109 PolarHBondContact OH-NZ 3.27Å; Y98-K109 VanDerWaalsContact OH-NZ 3.1Å; P102-K109 HydrophobicContact CB-CG 4.34Å; P102-K109 HydrophobicContact CG-CD 4.34Å; P102-K109 HydrophobicContact CG-CG 4.18Å; I104-K109 HydrophobicContact CD1-CB 3.98Å; K109-C137 HydrophobicContact CB-CB 4.43Å; K109-C137 WeakPolarHBondContact O-CB 3.49Å; K109-C137 PolarHBondContact O-N 2.68Å; K109-Y141 HydrophobicContact CB-CD2 3.65Å; K109-Y141 HydrophobicContact CB-CE2 4.32Å; K109-Y141 HydrophobicContact CB-CG 4.11Å; K109-Y141 HydrophobicContact CD-CD2 4.03Å; K109-Y141 HydrophobicContact CD-CE2 3.87Å; K109-Y141 HydrophobicContact CG-CD2 4.38Å; K109-H155 PolarHBondContact NZ-O 3Å; K109-T157 HydrophobicContact CD-CG2 4.43Å; K109-T157 HydrophobicContact CG-CG2 4.08Å
110F97.4Very high96.7Very high4 Ų429.2 Ų29.22%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-137.9165.4172.868-80.9000111F103 I105 L112 R135 F136 L183 L242 L243F103-F110 AromaticContact CD1-CE1 3.87Å; F103-F110 HydrophobicContact CD1-CE1 3.87Å; F103-F110 AromaticContact CD1-CZ 3.87Å; F103-F110 HydrophobicContact CD1-CZ 3.87Å; I105-F110 HydrophobicContact CB-CD1 4.39Å; I105-F110 HydrophobicContact CB-CE1 4.17Å; I105-F110 HydrophobicContact CD1-CD1 4.31Å; I105-F110 HydrophobicContact CD1-CE1 3.56Å; I105-F110 HydrophobicContact CD1-CZ 3.7Å; I105-F110 HydrophobicContact CG1-CD1 4.48Å; I105-F110 HydrophobicContact CG1-CE1 3.79Å; I105-F110 HydrophobicContact CG1-CZ 4.37Å; F110-L112 HydrophobicContact CD2-CD2 4.09Å; F110-L112 HydrophobicContact CE2-CD2 3.86Å; F110-R135 CarbonylContact C-O 3.52Å; F110-R135 WeakPolarHBondContact CA-O 3.36Å; F110-R135 VanDerWaalsContact CB-O 3.32Å; F110-R135 WeakPolarHBondContact CB-O 3.23Å; F110-F136 HydrophobicContact CB-CB 4.39Å; F110-F136 HydrophobicContact CB-CD1 3.71Å; F110-F136 HydrophobicContact CB-CD2 4.08Å; F110-F136 HydrophobicContact CB-CE1 3.91Å; F110-F136 HydrophobicContact CB-CE2 4.24Å; F110-F136 HydrophobicContact CB-CG 3.79Å; F110-F136 HydrophobicContact CB-CZ 4.16Å; F110-F136 HydrophobicContact CD1-CD1 4.46Å; F110-F136 HydrophobicContact CD1-CE1 4.04Å; F110-F136 HydrophobicContact CD1-CZ 4.48Å; F110-F136 HydrophobicContact CG-CD1 4.35Å; F110-F136 HydrophobicContact CG-CE1 4.07Å; F110-F136 HydrophobicContact CG-CZ 4.2Å; F110-L183 HydrophobicContact CE2-CD1 4.28Å; F110-L183 HydrophobicContact CE2-CD2 3.9Å; F110-L183 HydrophobicContact CZ-CD1 4.39Å; F110-L242 WeakPolarHBondContact O-CD1 3.45Å; F110-L243 HydrophobicContact CE2-CD1 4.36Å; F110-L243 HydrophobicContact CZ-CD1 4.27Å
111D97.8Very high96.5Very high3 Ų327.5 Ų27.52%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-131.9169.6165.269.615.2000111.3A134 R135 T157 L242D111-A134 WeakPolarHBondContact O-CA 3.5Å; D111-R135 PolarHBondContact N-O 3.45Å; D111-R135 PolarHBondContact O-N 3.34Å; D111-R135 IonicContact OD1-CZ 2.85Å; D111-R135 IonicContact OD1-NE 2.65Å; D111-R135 PolarHBondContact OD1-NE 3.22Å; D111-R135 IonicContact OD1-NH2 3.76Å; D111-R135 PolarHBondContact OD1-NH2 2.75Å; D111-R135 IonicContact OD2-CZ 2.67Å; D111-R135 IonicContact OD2-NE 2.75Å; D111-R135 IonicContact OD2-NH2 2.87Å; D111-R135 PolarHBondContact OD2-NH2 2.89Å; D111-T157 HydrophobicContact CB-CG2 4.24Å; D111-T157 WeakPolarHBondContact OD2-CB 3.49Å; D111-T157 PolarHBondContact OD2-OG1 2.96Å; D111-L242 HydrophobicContact CB-CD1 4.48Å
112L98.2Very high96.1Very high1 Ų126 Ų261%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-107.3120.1-179.3-51.4-177.9000109.3F110 L114 A134 L180 L183 I201 D240 V241 L243F110-L112 HydrophobicContact CD2-CD2 4.09Å; F110-L112 HydrophobicContact CE2-CD2 3.86Å; L112-L114 HydrophobicContact CB-CD2 3.89Å; L112-L114 HydrophobicContact CB-CG 4.29Å; L112-L114 HydrophobicContact CD1-CD2 4.5Å; L112-A134 HydrophobicContact CD2-CB 4.31Å; L112-L180 HydrophobicContact CD2-CD2 3.87Å; L112-L183 HydrophobicContact CD2-CD2 3.36Å; L112-I201 HydrophobicContact CD1-CD1 3.92Å; L112-D240 WeakPolarHBondContact O-CA 3.44Å; L112-V241 HydrophobicContact CB-CB 4.4Å; L112-V241 PolarHBondContact N-O 3.36Å; L112-V241 PolarHBondContact O-N 2.82Å; L112-L243 HydrophobicContact CD1-CD1 4.36Å; L112-L243 HydrophobicContact CD1-CD2 4.43Å; L112-L243 HydrophobicContact CD1-CG 4.27Å
113R98Very high95.7Very high24 Ų2428 Ų289%0.09113%0.132CC..EExtended strand (participates in β ladder)trans-89.3108.1160.3170.854.858.373.4-5.7108.2Y115 G132 L133 R135 F239 D240 N255R113-Y115 HydrophobicContact CG-CE1 4.48Å; R113-Y115 HydrophobicContact CG-CE2 4.2Å; R113-G132 WeakPolarHBondContact O-CA 3.49Å; R113-L133 HydrophobicContact CB-CB 4.2Å; R113-L133 WeakPolarHBondContact CB-O 3.3Å; R113-L133 PolarHBondContact N-O 2.98Å; R113-L133 PolarHBondContact O-N 3.43Å; R113-R135 VanDerWaalsContact CZ-NH1 3.3Å; R113-F239 WeakPolarHBondContact CA-O 3.15Å; R113-D240 IonicContact CZ-OD1 3.94Å; R113-D240 IonicContact CZ-OD2 2.86Å; R113-D240 IonicContact NE-OD1 3.75Å; R113-D240 PolarHBondContact NE-OD1 2.98Å; R113-D240 IonicContact NE-OD2 3.84Å; R113-D240 IonicContact NH2-OD1 2.75Å; R113-D240 PolarHBondContact NH2-OD1 3.49Å; R113-D240 IonicContact NH2-OD2 3.92Å; R113-D240 PolarHBondContact NH2-OD2 3.3Å; R113-N255 PolarHBondContact NH2-ND2 3.33Å
114L98.4Very high95.5Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-99.7144.4174.1-45.9176.8000109.1L112 M128 L180 W198 I201 I205 G238 F239 V241L112-L114 HydrophobicContact CB-CD2 3.89Å; L112-L114 HydrophobicContact CB-CG 4.29Å; L112-L114 HydrophobicContact CD1-CD2 4.5Å; L114-M128 HydrophobicContact CD1-CE 4.1Å; L114-M128 HydrophobicContact CD2-CE 4.09Å; L114-M128 HydrophobicContact CG-CE 4.47Å; L114-L180 HydrophobicContact CD2-CD1 3.5Å; L114-L180 HydrophobicContact CD2-CD2 4.46Å; L114-W198 HydrophobicContact CD2-CH2 4.44Å; L114-W198 HydrophobicContact CD2-CZ3 3.98Å; L114-I201 HydrophobicContact CD1-CG2 3.27Å; L114-I205 HydrophobicContact CD1-CD1 4.09Å; L114-G238 WeakPolarHBondContact O-CA 3.28Å; L114-F239 HydrophobicContact CB-CB 4.17Å; L114-F239 PolarHBondContact N-O 2.9Å; L114-F239 PolarHBondContact O-N 3.04Å; L114-V241 HydrophobicContact CD1-CB 4.38Å; L114-V241 HydrophobicContact CD1-CG2 3.87Å
115Y98.6Very high95.4Very high1 Ų124.4 Ų24.40%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-105.4126.1174.5-65.6-79000110.1R113 F129 I236 P258 V270 L274R113-Y115 HydrophobicContact CG-CE1 4.48Å; R113-Y115 HydrophobicContact CG-CE2 4.2Å; Y115-F129 PolarHBondContact O-N 3Å; Y115-I236 HydrophobicContact CD1-CG2 4.25Å; Y115-P258 HydrophobicContact CE1-CB 4.07Å; Y115-P258 HydrophobicContact CE1-CG 4.34Å; Y115-V270 HydrophobicContact CD2-CG1 4.49Å; Y115-V270 HydrophobicContact CE2-CG1 4.02Å; Y115-L274 HydrophobicContact CD1-CD2 3.36Å; Y115-L274 HydrophobicContact CD2-CD2 3.84Å; Y115-L274 HydrophobicContact CE1-CD2 3.71Å; Y115-L274 HydrophobicContact CE2-CD2 4.18Å; Y115-L274 HydrophobicContact CG-CD1 4.25Å; Y115-L274 HydrophobicContact CG-CD2 3.41Å; Y115-L274 VanDerWaalsContact CG-CD2 3.41Å; Y115-L274 HydrophobicContact CG-CG 4.47Å
116V98.7Very high95.6Very high0 Ų024.2 Ų24.20%011%0.113CC..EExtended strand (participates in β ladder)trans-125.8123-176.1178.30000108.7I126 F127 I205 L209 L237 F239V116-I126 HydrophobicContact CG1-CG2 3.63Å; V116-F127 CarbonylContact C-O 3.57Å; V116-F127 VanDerWaalsContact CA-O 3.31Å; V116-F127 WeakPolarHBondContact CA-O 3.4Å; V116-F127 WeakPolarHBondContact CG1-O 3.42Å; V116-I205 HydrophobicContact CB-CG2 4.35Å; V116-I205 HydrophobicContact CG1-CG2 3.68Å; V116-I205 HydrophobicContact CG2-CD1 3.81Å; V116-I205 HydrophobicContact CG2-CG1 4.17Å; V116-I205 HydrophobicContact CG2-CG2 3.75Å; V116-L209 HydrophobicContact CG1-CD1 3.99Å; V116-L237 HydrophobicContact CB-CB 4.42Å; V116-L237 PolarHBondContact N-O 2.83Å; V116-L237 PolarHBondContact O-N 2.89Å; V116-F239 HydrophobicContact CB-CD2 3.81Å; V116-F239 HydrophobicContact CB-CE2 3.86Å; V116-F239 HydrophobicContact CG1-CE2 4.14Å; V116-F239 HydrophobicContact CG2-CD2 3.49Å; V116-F239 VanDerWaalsContact CG2-CD2 3.49Å; V116-F239 HydrophobicContact CG2-CE2 3.88Å; V116-F239 HydrophobicContact CG2-CG 4.13Å
117L98.6Very high95.9Very high0 Ų020.4 Ų20.40%09%0.093CC..EExtended strand (participates in β ladder)trans-100.5125.6175.7174.866.1000109.7T119 F127 F234 E235 I236 T278 L281 F339L117-T119 HydrophobicContact CD2-CG2 3.76Å; L117-T119 HydrophobicContact CG-CG2 3.86Å; L117-F127 HydrophobicContact CB-CB 4.31Å; L117-F127 PolarHBondContact N-O 3.26Å; L117-F127 PolarHBondContact O-N 3.24Å; L117-F234 HydrophobicContact CD1-CB 4.35Å; L117-F234 HydrophobicContact CD1-CD2 4.11Å; L117-E235 WeakPolarHBondContact CA-O 3.42Å; L117-I236 HydrophobicContact CD1-CG1 4.11Å; L117-T278 HydrophobicContact CD1-CG2 3.73Å; L117-T278 HydrophobicContact CD2-CG2 3.95Å; L117-T278 HydrophobicContact CG-CG2 4.49Å; L117-L281 HydrophobicContact CD2-CD2 3.95Å; L117-L281 HydrophobicContact CD2-CG 4.42Å; L117-F339 HydrophobicContact CB-CD1 4.25Å; L117-F339 HydrophobicContact CB-CE1 3.52Å; L117-F339 HydrophobicContact CB-CZ 3.88Å; L117-F339 HydrophobicContact CD2-CE1 4.21Å; L117-F339 HydrophobicContact CD2-CE2 4.19Å; L117-F339 HydrophobicContact CD2-CZ 3.91Å
118V98Very high96.1Very high0 Ų012.2 Ų12.20%06%0.063CC..EExtended strand (participates in β ladder)trans-100.6117.6165.4-177.10000107.2F10 M13 F124 L209 F234 E235 L237F10-V118 HydrophobicContact CD2-CG1 4.38Å; F10-V118 HydrophobicContact CE2-CB 3.85Å; F10-V118 HydrophobicContact CE2-CG1 3.62Å; F10-V118 WeakPolarHBondContact CE2-O 3.33Å; F10-V118 HydrophobicContact CZ-CB 4.49Å; F10-V118 HydrophobicContact CZ-CG1 3.82Å; M13-V118 HydrophobicContact CE-CG2 4.43Å; V118-F124 HydrophobicContact CG1-CE2 4.35Å; V118-L209 HydrophobicContact CG2-CD1 3.96Å; V118-L209 HydrophobicContact CG2-CD2 3.89Å; V118-F234 CarbonylContact O-C 3.56Å; V118-F234 WeakPolarHBondContact O-CA 3.27Å; V118-E235 PolarHBondContact N-O 3.27Å; V118-E235 PolarHBondContact O-N 2.95Å; V118-L237 HydrophobicContact CG2-CD1 4.25Å
119T95.5Very high96.2Very high9 Ų910 Ų106%0.0555%0.053CC..EExtended strand (participates in β ladder)trans-94.4-24.6179.361.70000112.8L117 R125 F127 S231 C233 I282L117-T119 HydrophobicContact CD2-CG2 3.76Å; L117-T119 HydrophobicContact CG-CG2 3.86Å; T119-R125 PolarHBondContact N-O 2.83Å; T119-R125 WeakPolarHBondContact OG1-CB 3.42Å; T119-F127 HydrophobicContact CG2-CD2 3.86Å; T119-F127 HydrophobicContact CG2-CE2 3.75Å; T119-F127 WeakPolarHBondContact OG1-CE2 3.44Å; T119-S231 WeakPolarHBondContact O-CB 3.24Å; T119-S231 PolarHBondContact O-OG 3.35Å; T119-C233 VanDerWaalsContact O-O 3.08Å; T119-I282 HydrophobicContact CG2-CG2 4.39Å
120S93.6Very high96.2Very high4 Ų415.6 Ų15.63%0.0288%0.077CC..EExtended strand (participates in β ladder)trans-157.1149.1177.9-175.90000111.4D122 P123 F124 R125S120-D122 PolarHBondContact OG-N 3.4Å; S120-D122 PolarHBondContact OG-O 3.32Å; S120-P123 CarbonylContact C-O 3.55Å; S120-P123 WeakPolarHBondContact CB-O 3.45Å; S120-P123 PolarHBondContact OG-O 2.89Å; S120-F124 WeakPolarHBondContact O-CA 3.33Å; S120-R125 PolarHBondContact O-N 3.07Å
121C92.1Very high96.2Very high0 Ų016.9 Ų16.90%08%0.083CC..EExtended strand (participates in β ladder)trans-99.4-14169.862.90000113.7F10 P123 H213 Y220F10-C121 HydrophobicContact CD1-CB 4.3Å; F10-C121 HydrophobicContact CE1-CB 3.99Å; C121-P123 CarbonylContact C-O 3.6Å; C121-H213 PolarHBondContact O-NE2 3.16Å; C121-Y220 VanDerWaalsContact SG-CB 3.54Å
122D87.9Confident96.1Very high70 Ų7016.8 Ų16.837%0.3748%0.083SC..THydrogen-bonded Turntrans-15297.8-179.4-152.418.4000110.5S120 K217S120-D122 PolarHBondContact OG-N 3.4Å; S120-D122 PolarHBondContact OG-O 3.32Å; D122-K217 HydrophobicContact CB-CD 4.37Å; D122-K217 VanDerWaalsContact CG-CE 3.48Å; D122-K217 IonicContact OD1-NZ 2.71Å; D122-K217 PolarHBondContact OD1-NZ 3.16Å; D122-K217 WeakPolarHBondContact OD2-CE 3.35Å; D122-K217 IonicContact OD2-NZ 3.9Å; D122-K217 PolarHBondContact OD2-NZ 2.88Å
123P89.1Confident96Very high50 Ų5017.1 Ų17.133%0.3258%0.084SC..THydrogen-bonded Turncis-63.9153.6-5.430.9-37.4000111.6S120 C121 R125 V325 M328S120-P123 CarbonylContact C-O 3.55Å; S120-P123 WeakPolarHBondContact CB-O 3.45Å; S120-P123 PolarHBondContact OG-O 2.89Å; C121-P123 CarbonylContact C-O 3.6Å; P123-R125 PolarHBondContact O-N 2.87Å; P123-V325 HydrophobicContact CG-CG1 4.31Å; P123-V325 HydrophobicContact CG-CG2 3.84Å; P123-M328 HydrophobicContact CG-CE 4.07Å
124F93.1Very high95.9Very high12 Ų1216 Ų165%0.0538%0.08CC..EExtended strand (participates in β ladder)trans-78.4124.7-177.1-166.5-154.9000111.2V118 S120 I126 L209 I210 H213 Y343 F355V118-F124 HydrophobicContact CG1-CE2 4.35Å; S120-F124 WeakPolarHBondContact O-CA 3.33Å; F124-I126 HydrophobicContact CD1-CD1 4.3Å; F124-I126 HydrophobicContact CD2-CG1 4.41Å; F124-I126 HydrophobicContact CE1-CD1 3.88Å; F124-I126 HydrophobicContact CE2-CD1 4.34Å; F124-I126 HydrophobicContact CE2-CG1 4.26Å; F124-I126 HydrophobicContact CZ-CD1 3.96Å; F124-I126 HydrophobicContact CZ-CG1 4.38Å; F124-L209 HydrophobicContact CE1-CB 4.4Å; F124-L209 HydrophobicContact CZ-CB 3.79Å; F124-I210 HydrophobicContact CE1-CG1 4Å; F124-H213 AromaticContact CD1-CD2 3.62Å; F124-H213 AromaticContact CD2-CD2 3.7Å; F124-H213 HydrophobicContact CE1-CB 3.97Å; F124-H213 AromaticContact CE1-CD2 3.74Å; F124-H213 AromaticContact CE2-CD2 3.82Å; F124-H213 AromaticContact CG-CD2 3.54Å; F124-H213 AromaticContact CG-NE2 3.93Å; F124-H213 HydrophobicContact CZ-CB 4.02Å; F124-H213 AromaticContact CZ-CD2 3.78Å; F124-Y343 HydrophobicContact CB-CD1 4.4Å; F124-Y343 HydrophobicContact CB-CE1 4.04Å; F124-Y343 HydrophobicContact CD1-CD1 4.19Å; F124-Y343 HydrophobicContact CD1-CE1 4.05Å; F124-Y343 HydrophobicContact CG-CD1 4.46Å; F124-Y343 HydrophobicContact CG-CE1 4.39Å; F124-Y343 VanDerWaalsContact O-CD1 3.32Å; F124-Y343 WeakPolarHBondContact O-CD1 3.48Å; F124-Y343 WeakPolarHBondContact O-CE1 3.33Å; F124-F355 AromaticContact CD1-CE1 3.88Å; F124-F355 HydrophobicContact CD1-CE1 3.88Å; F124-F355 AromaticContact CD1-CZ 3.86Å; F124-F355 HydrophobicContact CD1-CZ 3.86Å; F124-F355 HydrophobicContact CE1-CE1 4.23Å; F124-F355 HydrophobicContact CE1-CZ 4.3Å
125R95.1Very high95.8Very high3 Ų316.9 Ų16.91%0.0118%0.084CC..EExtended strand (participates in β ladder)trans-135.6126.1-175.9-51.9-169.477.873.4-2.4111.1T119 S120 P123 F127 E329 E332 Y343T119-R125 PolarHBondContact N-O 2.83Å; T119-R125 WeakPolarHBondContact OG1-CB 3.42Å; S120-R125 PolarHBondContact O-N 3.07Å; P123-R125 PolarHBondContact O-N 2.87Å; R125-F127 HydrophobicContact CB-CE2 3.94Å; R125-E329 IonicContact CZ-OE1 2.75Å; R125-E329 IonicContact NH1-OE1 2.66Å; R125-E329 PolarHBondContact NH1-OE1 3.09Å; R125-E329 IonicContact NH2-OE1 2.68Å; R125-E329 PolarHBondContact NH2-OE1 3.34Å; R125-E332 WeakPolarHBondContact CD-OE1 3.47Å; R125-E332 IonicContact CZ-OE1 2.65Å; R125-E332 IonicContact CZ-OE2 3.24Å; R125-E332 VanDerWaalsContact NE-CD 3.27Å; R125-E332 IonicContact NE-OE1 3.08Å; R125-E332 PolarHBondContact NE-OE1 3.08Å; R125-E332 IonicContact NE-OE2 3.23Å; R125-E332 PolarHBondContact NE-OE2 2.84Å; R125-E332 IonicContact NH2-OE2 3.66Å; R125-E332 PolarHBondContact NH2-OE2 2.9Å; R125-Y343 WeakPolarHBondContact CA-O 3.28Å
126I98Very high95.7Very high0 Ų017 Ų170%08%0.084CC..EExtended strand (participates in β ladder)trans-132.2128.5-173.5-46.6171000109.3V116 F124 I205 L209 I342 Y343V116-I126 HydrophobicContact CG1-CG2 3.63Å; F124-I126 HydrophobicContact CD1-CD1 4.3Å; F124-I126 HydrophobicContact CD2-CG1 4.41Å; F124-I126 HydrophobicContact CE1-CD1 3.88Å; F124-I126 HydrophobicContact CE2-CD1 4.34Å; F124-I126 HydrophobicContact CE2-CG1 4.26Å; F124-I126 HydrophobicContact CZ-CD1 3.96Å; F124-I126 HydrophobicContact CZ-CG1 4.38Å; I126-I205 HydrophobicContact CG2-CG2 4.23Å; I126-L209 HydrophobicContact CB-CD1 4.47Å; I126-L209 HydrophobicContact CD1-CB 3.83Å; I126-L209 HydrophobicContact CD1-CD1 3.77Å; I126-L209 HydrophobicContact CD1-CG 4.43Å; I126-L209 HydrophobicContact CG1-CD1 4.07Å; I126-L209 HydrophobicContact CG2-CD1 3.55Å; I126-I342 HydrophobicContact CB-CG1 3.98Å; I126-I342 HydrophobicContact CG2-CD1 3.8Å; I126-I342 HydrophobicContact CG2-CG1 3.76Å; I126-I342 WeakPolarHBondContact O-CG1 3.42Å; I126-I342 PolarHBondContact O-N 3.23Å; I126-Y343 HydrophobicContact CD1-CG 4.38Å; I126-Y343 PolarHBondContact N-O 2.94Å; I126-Y343 PolarHBondContact O-N 3.48Å; I126-Y343 VanDerWaalsContact O-N 3.15Å
127F98.4Very high95.5Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-122.9137.4178.6-59.4-97.8000109.7V116 L117 T119 R125 L281 E332 L336 F339 K340 R341V116-F127 CarbonylContact C-O 3.57Å; V116-F127 VanDerWaalsContact CA-O 3.31Å; V116-F127 WeakPolarHBondContact CA-O 3.4Å; V116-F127 WeakPolarHBondContact CG1-O 3.42Å; L117-F127 HydrophobicContact CB-CB 4.31Å; L117-F127 PolarHBondContact N-O 3.26Å; L117-F127 PolarHBondContact O-N 3.24Å; T119-F127 HydrophobicContact CG2-CD2 3.86Å; T119-F127 HydrophobicContact CG2-CE2 3.75Å; T119-F127 WeakPolarHBondContact OG1-CE2 3.44Å; R125-F127 HydrophobicContact CB-CE2 3.94Å; F127-L281 HydrophobicContact CD1-CD2 3.88Å; F127-L281 HydrophobicContact CD2-CD2 4.47Å; F127-L281 HydrophobicContact CE1-CD1 4.5Å; F127-L281 HydrophobicContact CE1-CD2 4.22Å; F127-L281 HydrophobicContact CG-CD2 4.04Å; F127-E332 HydrophobicContact CZ-CB 4.48Å; F127-E332 VanDerWaalsContact CZ-CD 3.47Å; F127-E332 HydrophobicContact CZ-CG 4.17Å; F127-E332 WeakPolarHBondContact CZ-OE1 3.42Å; F127-E332 WeakPolarHBondContact CZ-OE2 3Å; F127-L336 HydrophobicContact CD1-CD2 3.98Å; F127-L336 HydrophobicContact CE1-CD2 3.71Å; F127-F339 HydrophobicContact CB-CB 4.16Å; F127-F339 HydrophobicContact CB-CD1 3.7Å; F127-F339 HydrophobicContact CB-CE1 4.47Å; F127-F339 HydrophobicContact CB-CG 4.18Å; F127-F339 HydrophobicContact CD1-CB 4.39Å; F127-K340 CarbonylContact C-O 2.75Å; F127-K340 VanDerWaalsContact CA-O 3.28Å; F127-K340 WeakPolarHBondContact CA-O 3.42Å; F127-R341 HydrophobicContact CD1-CB 3.83Å; F127-R341 HydrophobicContact CD1-CG 4.16Å; F127-R341 HydrophobicContact CE1-CB 3.59Å; F127-R341 HydrophobicContact CE1-CG 3.67Å; F127-R341 HydrophobicContact CZ-CB 4.39Å; F127-R341 HydrophobicContact CZ-CG 3.96Å
128M98.4Very high95.2Very high12 Ų1217.2 Ų17.26%0.0599%0.085CC..EExtended strand (participates in β ladder)trans-105.4130.8170.8178.1169.516700108.5L114 W198 I201 E202 I205 F339 K340 I342L114-M128 HydrophobicContact CD1-CE 4.1Å; L114-M128 HydrophobicContact CD2-CE 4.09Å; L114-M128 HydrophobicContact CG-CE 4.47Å; M128-W198 HydrophobicContact CE-CE3 3.74Å; M128-W198 HydrophobicContact CE-CZ3 3.6Å; M128-I201 HydrophobicContact CE-CG2 4.01Å; M128-I201 HydrophobicContact SD-CG2 4.23Å; M128-E202 HydrophobicContact SD-CG 4.17Å; M128-I205 HydrophobicContact CG-CD1 4.38Å; M128-I205 HydrophobicContact SD-CD1 3.59Å; M128-I205 VanDerWaalsContact SD-CD1 3.59Å; M128-F339 CarbonylContact O-C 3.53Å; M128-F339 WeakPolarHBondContact O-CA 3.29Å; M128-K340 PolarHBondContact N-O 3.09Å; M128-K340 PolarHBondContact O-N 2.83Å; M128-I342 HydrophobicContact CB-CD1 4.27Å; M128-I342 HydrophobicContact CB-CG2 3.78Å
129F98.4Very high95.1Very high7 Ų723.2 Ų23.23%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-71.7136.4171.1-158.3-120.5000108.8Y115 E131 A273 L274 D277 G338 F339Y115-F129 PolarHBondContact O-N 3Å; F129-E131 HydrophobicContact CD1-CB 3.83Å; F129-E131 WeakPolarHBondContact CD1-O 3.4Å; F129-E131 HydrophobicContact CE1-CB 3.74Å; F129-E131 PolarHBondContact O-N 3.36Å; F129-A273 HydrophobicContact CZ-CB 4.14Å; F129-L274 HydrophobicContact CB-CD1 3.89Å; F129-L274 HydrophobicContact CD1-CB 4.14Å; F129-L274 HydrophobicContact CD1-CD1 3.92Å; F129-L274 HydrophobicContact CD2-CD1 3.86Å; F129-L274 HydrophobicContact CE1-CB 3.85Å; F129-L274 HydrophobicContact CE1-CD1 4.41Å; F129-L274 HydrophobicContact CE2-CB 4.41Å; F129-L274 HydrophobicContact CE2-CD1 4.36Å; F129-L274 HydrophobicContact CG-CD1 3.63Å; F129-L274 HydrophobicContact CZ-CB 4.01Å; F129-D277 HydrophobicContact CE2-CB 4.21Å; F129-D277 WeakPolarHBondContact CE2-OD2 3.44Å; F129-G338 WeakPolarHBondContact CD2-O 3.48Å; F129-F339 HydrophobicContact CB-CD1 4.07Å; F129-F339 HydrophobicContact CB-CE1 3.86Å; F129-F339 HydrophobicContact CB-CZ 4.47Å; F129-F339 AromaticContact CD2-CD1 3.93Å; F129-F339 HydrophobicContact CD2-CD1 3.93Å; F129-F339 AromaticContact CD2-CD2 3.88Å; F129-F339 HydrophobicContact CD2-CD2 3.88Å; F129-F339 AromaticContact CD2-CE1 3.83Å; F129-F339 HydrophobicContact CD2-CE1 3.83Å; F129-F339 AromaticContact CD2-CE2 3.79Å; F129-F339 HydrophobicContact CD2-CE2 3.79Å; F129-F339 AromaticContact CD2-CG 3.96Å; F129-F339 HydrophobicContact CD2-CG 3.96Å; F129-F339 AromaticContact CD2-CZ 3.77Å; F129-F339 HydrophobicContact CD2-CZ 3.77Å; F129-F339 HydrophobicContact CE2-CD2 4.29Å; F129-F339 HydrophobicContact CE2-CE2 4.16Å; F129-F339 HydrophobicContact CE2-CZ 4.48Å; F129-F339 HydrophobicContact CG-CE1 4.29Å; F129-F339 HydrophobicContact CG-CZ 4.47Å
130K96.6Very high95Very high128 Ų12828.8 Ų28.856%0.55713%0.131SC*.EExtended strand (participates in β ladder)trans-66.3-26.5-179.1-68.1160.8-170.4156.90111.7G337 G338 F339K130-G337 PolarHBondContact NZ-O 2.91Å; K130-G338 VanDerWaalsContact CB-O 3.31Å; K130-G338 WeakPolarHBondContact CB-O 3.5Å; K130-G338 WeakPolarHBondContact CD-O 3.35Å; K130-G338 WeakPolarHBondContact CG-O 3.17Å; K130-G338 PolarHBondContact N-O 2.78Å; K130-F339 VanDerWaalsContact CE-O 3.23Å; K130-F339 WeakPolarHBondContact CE-O 3.41Å; K130-F339 PolarHBondContact NZ-O 3.31Å
131E96.9Very high95.2Very high31 Ų3129.8 Ų29.815%0.14514%0.135CC..EExtended strand (participates in β ladder)trans-101.8167.6174.7-104.8-46.8-38.800114.1F129 L180 S181 V270F129-E131 HydrophobicContact CD1-CB 3.83Å; F129-E131 WeakPolarHBondContact CD1-O 3.4Å; F129-E131 HydrophobicContact CE1-CB 3.74Å; F129-E131 PolarHBondContact O-N 3.36Å; E131-L180 PolarHBondContact OE1-N 2.82Å; E131-L180 PolarHBondContact OE2-N 2.96Å; E131-S181 WeakPolarHBondContact OE2-CA 3.38Å; E131-S181 WeakPolarHBondContact OE2-CB 3.31Å; E131-S181 PolarHBondContact OE2-N 3.32Å; E131-S181 PolarHBondContact OE2-OG 3.25Å; E131-V270 HydrophobicContact CB-CG1 4.32Å; E131-V270 HydrophobicContact CB-CG2 4.48Å; E131-V270 HydrophobicContact CG-CG2 4.39Å
132G96.7Very high95.4Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans179.7-151.3177.700000110.7R113R113-G132 WeakPolarHBondContact O-CA 3.49Å
133L96.3Very high95.7Very high8 Ų835.4 Ų35.44%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-135120.6-177.5-56.3170.1000111.2R113 R135 K177 L266 V270R113-L133 HydrophobicContact CB-CB 4.2Å; R113-L133 WeakPolarHBondContact CB-O 3.3Å; R113-L133 PolarHBondContact N-O 2.98Å; R113-L133 PolarHBondContact O-N 3.43Å; L133-R135 HydrophobicContact CB-CG 4.37Å; L133-K177 HydrophobicContact CD2-CD 4.2Å; L133-K177 HydrophobicContact CD2-CG 4.27Å; L133-L266 HydrophobicContact CD2-CD2 3.32Å; L133-V270 HydrophobicContact CD2-CG2 4.36Å
134A96.3Very high96Very high0 Ų033.3 Ų33.30%015%0.148CC..EExtended strand (participates in β ladder)trans-81.2123.9162.100000108.9D111 L112 F136 K177 R178 L183D111-A134 WeakPolarHBondContact O-CA 3.5Å; L112-A134 HydrophobicContact CD2-CB 4.31Å; A134-F136 HydrophobicContact CB-CE2 3.86Å; A134-K177 WeakPolarHBondContact O-CA 3.34Å; A134-R178 HydrophobicContact CB-CB 4.45Å; A134-R178 PolarHBondContact N-O 3.41Å; A134-R178 PolarHBondContact O-N 2.89Å; A134-L183 HydrophobicContact CB-CB 4.46Å; A134-L183 HydrophobicContact CB-CD2 3.94Å
135R95.5Very high96Very high20 Ų2035.6 Ų35.68%0.07516%0.163CC..EExtended strand (participates in β ladder)trans-118120-174.3-50.4176.3-60-1653.2110.1F110 D111 R113 L133 D240F110-R135 CarbonylContact C-O 3.52Å; F110-R135 WeakPolarHBondContact CA-O 3.36Å; F110-R135 VanDerWaalsContact CB-O 3.32Å; F110-R135 WeakPolarHBondContact CB-O 3.23Å; D111-R135 PolarHBondContact N-O 3.45Å; D111-R135 PolarHBondContact O-N 3.34Å; D111-R135 IonicContact OD1-CZ 2.85Å; D111-R135 IonicContact OD1-NE 2.65Å; D111-R135 PolarHBondContact OD1-NE 3.22Å; D111-R135 IonicContact OD1-NH2 3.76Å; D111-R135 PolarHBondContact OD1-NH2 2.75Å; D111-R135 IonicContact OD2-CZ 2.67Å; D111-R135 IonicContact OD2-NE 2.75Å; D111-R135 IonicContact OD2-NH2 2.87Å; D111-R135 PolarHBondContact OD2-NH2 2.89Å; R113-R135 VanDerWaalsContact CZ-NH1 3.3Å; L133-R135 HydrophobicContact CB-CG 4.37Å; R135-D240 IonicContact CZ-OD2 3.79Å; R135-D240 IonicContact NH1-OD2 3.08Å; R135-D240 PolarHBondContact NH1-OD2 2.81Å; R135-D240 IonicContact NH2-OD2 3.8Å; R135-D240 PolarHBondContact NH2-OD2 2.8Å
136F95.6Very high95.7Very high4 Ų441 Ų412%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-101.6145.2-172.7-66-110.4000111.5I105 F108 F110 A134 S176 R178I105-F136 HydrophobicContact CB-CE1 4Å; I105-F136 HydrophobicContact CG2-CE1 3.97Å; I105-F136 HydrophobicContact CG2-CZ 4.45Å; F108-F136 HydrophobicContact CB-CD1 4.17Å; F110-F136 HydrophobicContact CB-CB 4.39Å; F110-F136 HydrophobicContact CB-CD1 3.71Å; F110-F136 HydrophobicContact CB-CD2 4.08Å; F110-F136 HydrophobicContact CB-CE1 3.91Å; F110-F136 HydrophobicContact CB-CE2 4.24Å; F110-F136 HydrophobicContact CB-CG 3.79Å; F110-F136 HydrophobicContact CB-CZ 4.16Å; F110-F136 HydrophobicContact CD1-CD1 4.46Å; F110-F136 HydrophobicContact CD1-CE1 4.04Å; F110-F136 HydrophobicContact CD1-CZ 4.48Å; F110-F136 HydrophobicContact CG-CD1 4.35Å; F110-F136 HydrophobicContact CG-CE1 4.07Å; F110-F136 HydrophobicContact CG-CZ 4.2Å; A134-F136 HydrophobicContact CB-CE2 3.86Å; F136-S176 PolarHBondContact N-O 3Å; F136-R178 HydrophobicContact CD2-CG 4.47Å; F136-R178 HydrophobicContact CE2-CB 4.22Å; F136-R178 HydrophobicContact CE2-CG 3.82Å; F136-R178 HydrophobicContact CZ-CG 4.46Å
137C95.3Very high95.4Very high1 Ų146.4 Ų46.41%0.00723%0.226CC..  trans-62.1153161.2-71.90000110.6F108 K109 C153 M154F108-C137 WeakPolarHBondContact CD1-O 3.46Å; K109-C137 HydrophobicContact CB-CB 4.43Å; K109-C137 WeakPolarHBondContact O-CB 3.49Å; K109-C137 PolarHBondContact O-N 2.68Å; C137-C153 VanDerWaalsContact CB-O 3.29Å; C137-C153 WeakPolarHBondContact CB-O 3.46Å; C137-M154 PolarHBondContact SG-O 3.22Å
138T93.3Very high95.2Very high2 Ų247.3 Ų47.31%0.01223%0.231CC..SBendtrans-101.90.5-179.852.60000113.7C153 N162 S165 N167 F168T138-C153 PolarHBondContact N-O 3.12Å; T138-N162 WeakPolarHBondContact CB-OD1 3.37Å; T138-N162 HydrophobicContact CG2-CB 3.78Å; T138-N162 WeakPolarHBondContact CG2-OD1 3.47Å; T138-N162 PolarHBondContact N-OD1 3.21Å; T138-N162 PolarHBondContact OG1-OD1 2.7Å; T138-S165 WeakPolarHBondContact CB-OG 3.45Å; T138-S165 WeakPolarHBondContact OG1-CB 3.12Å; T138-S165 PolarHBondContact OG1-OG 3.07Å; T138-N167 WeakPolarHBondContact O-CB 3.44Å; T138-N167 PolarHBondContact O-ND2 2.69Å; T138-F168 HydrophobicContact CG2-CB 4.06Å; T138-F168 HydrophobicContact CG2-CD2 3.8Å; T138-F168 HydrophobicContact CG2-CG 4.42Å
139R94Very high94.9Very high127 Ų12747.2 Ų47.248%0.47923%0.231SC..SBendtrans-121.9143.3168.3-69.6-176.5171.8-161.5-1.7111F108 Y141 D151 C153 M154F108-R139 WeakPolarHBondContact CD1-O 3.16Å; R139-Y141 PolarHBondContact O-N 2.92Å; R139-D151 WeakPolarHBondContact CD-OD1 3.37Å; R139-D151 WeakPolarHBondContact CD-OD2 3.33Å; R139-D151 IonicContact CZ-OD2 3.64Å; R139-D151 IonicContact NE-OD2 3.74Å; R139-D151 IonicContact NH1-OD1 3.15Å; R139-D151 IonicContact NH1-OD2 2.83Å; R139-D151 PolarHBondContact NH1-OD2 2.88Å; R139-C153 HydrophobicContact CG-CB 4.12Å; R139-C153 PolarHBondContact N-O 2.93Å; R139-M154 HydrophobicContact CB-CB 4.19Å
140K95.4Very high94.5Very high125 Ų12555 Ų5554%0.54327%0.268SS..  trans-60.9131.6-177.8-68.3177.1-179.9170.30110.1R107 F108 M154R107-K140 HydrophobicContact CB-CB 4.34Å; R107-K140 HydrophobicContact CB-CD 4.37Å; R107-K140 HydrophobicContact CB-CG 4.13Å; R107-K140 CarbonylContact O-C 3.55Å; R107-K140 WeakPolarHBondContact O-CA 3.41Å; F108-K140 HydrophobicContact CE1-CG 3.99Å; F108-K140 HydrophobicContact CZ-CG 3.97Å; K140-M154 WeakPolarHBondContact O-CG 3.46Å
141Y97.1Very high94.3Very high26 Ų2650.2 Ų50.210%0.10225%0.249CC..  trans-72.6134.9-174.2-172.1-99.5000112.2Y98 S100 P102 I104 R107 K109 R139 M154 H155Y98-Y141 WeakPolarHBondContact CE1-OH 3.48Å; S100-Y141 PolarHBondContact O-OH 3.06Å; P102-Y141 WeakPolarHBondContact CD-OH 3.31Å; P102-Y141 HydrophobicContact CG-CD1 4.21Å; P102-Y141 HydrophobicContact CG-CE1 3.76Å; P102-Y141 HydrophobicContact CG-CE2 4.15Å; I104-Y141 HydrophobicContact CD1-CD1 3.68Å; I104-Y141 HydrophobicContact CD1-CD2 4.49Å; I104-Y141 HydrophobicContact CD1-CG 3.66Å; I104-Y141 HydrophobicContact CG1-CD1 4.26Å; R107-Y141 PolarHBondContact O-N 3.1Å; K109-Y141 HydrophobicContact CB-CD2 3.65Å; K109-Y141 HydrophobicContact CB-CE2 4.32Å; K109-Y141 HydrophobicContact CB-CG 4.11Å; K109-Y141 HydrophobicContact CD-CD2 4.03Å; K109-Y141 HydrophobicContact CD-CE2 3.87Å; K109-Y141 HydrophobicContact CG-CD2 4.38Å; R139-Y141 PolarHBondContact O-N 2.92Å; Y141-M154 HydrophobicContact CD2-CG 4.35Å; Y141-H155 AromaticContact CE2-ND1 3.59Å
142N96.2Very high93.9Very high95 Ų9551.8 Ų51.851%0.50826%0.26SS..  trans-126.6155.9163-68.6-72.4000108.8M154N142-M154 HydrophobicContact CB-SD 4Å; N142-M154 PolarHBondContact N-SD 2.84Å; N142-M154 VanDerWaalsContact N-SD 3.42Å
143E94.8Very high93.7Very high92 Ų9253 Ų5343%0.4327%0.269SS..  trans-60.7145.8171.9-70-154.8-127.500110.5S100 K101 T145 N148S100-E143 PolarHBondContact OG-OE2 3.29Å; K101-E143 WeakPolarHBondContact CE-OE1 3.4Å; K101-E143 IonicContact NZ-OE1 3.44Å; E143-T145 PolarHBondContact O-N 3.07Å; E143-N148 PolarHBondContact O-ND2 2.92Å
144P94.1Very high93.6Very high7 Ų753.4 Ų53.45%0.04527%0.27CS..  trans-66.9121.3-17424.9-34.7000112.7T64 K82 Y98 N148 V149T64-P144 HydrophobicContact CG2-CB 3.8Å; T64-P144 HydrophobicContact CG2-CG 3.86Å; K82-P144 PolarHBondContact NZ-O 2.68Å; Y98-P144 HydrophobicContact CD1-CG 3.95Å; Y98-P144 HydrophobicContact CE1-CG 3.97Å; P144-N148 VanDerWaalsContact CA-OD1 3.3Å; P144-N148 WeakPolarHBondContact CA-OD1 3.3Å; P144-V149 HydrophobicContact CB-CG1 3.84Å
145T92.8Very high93.5Very high59 Ų5953.5 Ų53.536%0.36227%0.271SS..  trans-120.6167173.964.70000109.4E143 S147 N148 V149E143-T145 PolarHBondContact O-N 3.07Å; T145-S147 PolarHBondContact O-N 2.9Å; T145-S147 VanDerWaalsContact O-N 3.09Å; T145-S147 PolarHBondContact OG1-OG 2.73Å; T145-S147 VanDerWaalsContact OG1-OG 3.08Å; T145-N148 PolarHBondContact N-OD1 3.34Å; T145-N148 PolarHBondContact O-N 2.75Å; T145-N148 PolarHBondContact O-OD1 3.05Å; T145-N148 VanDerWaalsContact O-OD1 3.11Å; T145-N148 VanDerWaalsContact OG1-CG 3.29Å; T145-N148 PolarHBondContact OG1-ND2 2.92Å; T145-N148 PolarHBondContact OG1-OD1 2.74Å; T145-V149 WeakPolarHBondContact O-CG1 3.23Å; T145-V149 PolarHBondContact O-N 3.37Å
146Q89Confident93.5Very high116 Ų11653 Ų5354%0.54227%0.269SS..THydrogen-bonded Turntrans-61.9-21.2-180-164.359.443.600113.2
147S92.6Very high93.4Very high114 Ų11453.2 Ų53.280%0.79727%0.271SS*.THydrogen-bonded Turntrans-91.7-7.7-179.454.30000115.3T145T145-S147 PolarHBondContact O-N 2.9Å; T145-S147 VanDerWaalsContact O-N 3.09Å; T145-S147 PolarHBondContact OG1-OG 2.73Å; T145-S147 VanDerWaalsContact OG1-OG 3.08Å
148N93.6Very high93.1Very high19 Ų1954.2 Ų54.210%0.10228%0.276CS..THydrogen-bonded Turntrans-126.6-8.9-177.672.111.3000115.1E143 P144 T145 E150 D151 M154 H155E143-N148 PolarHBondContact O-ND2 2.92Å; P144-N148 VanDerWaalsContact CA-OD1 3.3Å; P144-N148 WeakPolarHBondContact CA-OD1 3.3Å; T145-N148 PolarHBondContact N-OD1 3.34Å; T145-N148 PolarHBondContact O-N 2.75Å; T145-N148 PolarHBondContact O-OD1 3.05Å; T145-N148 VanDerWaalsContact O-OD1 3.11Å; T145-N148 VanDerWaalsContact OG1-CG 3.29Å; T145-N148 PolarHBondContact OG1-ND2 2.92Å; T145-N148 PolarHBondContact OG1-OD1 2.74Å; N148-E150 PolarHBondContact O-N 2.88Å; N148-E150 VanDerWaalsContact O-N 3.13Å; N148-D151 WeakPolarHBondContact O-CB 3.45Å; N148-D151 PolarHBondContact O-N 3.33Å; N148-M154 HydrophobicContact CB-CE 4.37Å; N148-M154 HydrophobicContact CB-SD 4.39Å; N148-H155 PolarHBondContact O-CD2 3.35Å; N148-H155 PolarHBondContact O-NE2 3.43Å; N148-H155 PolarHBondContact OD1-NE2 2.94Å
149V91.8Very high92.8Very high10 Ų1056.6 Ų56.66%0.06129%0.286CS..THydrogen-bonded Turntrans-60.7-22.9179.4-76.90000114.2T64 I80 K82 P144 T145T64-V149 HydrophobicContact CG2-CG1 4.41Å; I80-V149 HydrophobicContact CB-CB 4.24Å; I80-V149 HydrophobicContact CB-CG1 4.4Å; I80-V149 HydrophobicContact CG2-CB 4.1Å; I80-V149 HydrophobicContact CG2-CG1 3.71Å; K82-V149 HydrophobicContact CG-CG1 4.28Å; P144-V149 HydrophobicContact CB-CG1 3.84Å; T145-V149 WeakPolarHBondContact O-CG1 3.23Å; T145-V149 PolarHBondContact O-N 3.37Å
150E91Very high92.4Very high170 Ų17052.6 Ų52.679%0.79428%0.277SS*.THydrogen-bonded Turntrans-79.4-13.5173.8-63.7177.9-171.300113.2N148 V152N148-E150 PolarHBondContact O-N 2.88Å; N148-E150 VanDerWaalsContact O-N 3.13Å; E150-V152 VanDerWaalsContact C-N 3.33Å; E150-V152 WeakPolarHBondContact O-CG2 3.39Å; E150-V152 PolarHBondContact O-N 2.81Å
151D91.2Very high91.9Very high29 Ų2948.6 Ų48.616%0.15526%0.261CS..  trans-76.685.5176.9-166.3-27.9000111.1R139 N148 C153 M154 H155R139-D151 WeakPolarHBondContact CD-OD1 3.37Å; R139-D151 WeakPolarHBondContact CD-OD2 3.33Å; R139-D151 IonicContact CZ-OD2 3.64Å; R139-D151 IonicContact NE-OD2 3.74Å; R139-D151 IonicContact NH1-OD1 3.15Å; R139-D151 IonicContact NH1-OD2 2.83Å; R139-D151 PolarHBondContact NH1-OD2 2.88Å; N148-D151 WeakPolarHBondContact O-CB 3.45Å; N148-D151 PolarHBondContact O-N 3.33Å; D151-C153 PolarHBondContact O-N 2.88Å; D151-C153 PolarHBondContact OD1-N 2.83Å; D151-C153 VanDerWaalsContact OD1-N 3.09Å; D151-M154 HydrophobicContact CB-CB 3.94Å; D151-M154 HydrophobicContact CB-CE 4.37Å; D151-M154 WeakPolarHBondContact O-CB 3.4Å; D151-M154 PolarHBondContact O-N 3.27Å; D151-M154 VanDerWaalsContact O-N 3.1Å; D151-M154 PolarHBondContact OD1-N 2.87Å; D151-H155 PolarHBondContact O-N 2.66Å
152V90.5Very high91.5Very high63 Ų6347.4 Ų47.438%0.38226%0.256SS..Hα-helixtrans-57.8-34.7179.5-162.90000112E150 M154 H155 L156 I161E150-V152 VanDerWaalsContact C-N 3.33Å; E150-V152 WeakPolarHBondContact O-CG2 3.39Å; E150-V152 PolarHBondContact O-N 2.81Å; V152-M154 VanDerWaalsContact C-N 3.32Å; V152-M154 PolarHBondContact O-N 2.93Å; V152-H155 PolarHBondContact O-N 2.81Å; V152-L156 HydrophobicContact CG1-CB 4.11Å; V152-L156 HydrophobicContact CG1-CD1 3.57Å; V152-L156 HydrophobicContact CG1-CG 3.83Å; V152-L156 WeakPolarHBondContact O-CB 3.35Å; V152-L156 PolarHBondContact O-N 3.49Å; V152-I161 HydrophobicContact CG1-CD1 3.82Å; V152-I161 HydrophobicContact CG1-CG2 3.96Å
153C91.3Very high90.9Very high27 Ų2746.6 Ų46.618%0.18225%0.248CC..Hα-helixtrans-79.1-13.6-178.9-69.10000113.6C137 T138 R139 D151C137-C153 VanDerWaalsContact CB-O 3.29Å; C137-C153 WeakPolarHBondContact CB-O 3.46Å; T138-C153 PolarHBondContact N-O 3.12Å; R139-C153 HydrophobicContact CG-CB 4.12Å; R139-C153 PolarHBondContact N-O 2.93Å; D151-C153 PolarHBondContact O-N 2.88Å; D151-C153 PolarHBondContact OD1-N 2.83Å; D151-C153 VanDerWaalsContact OD1-N 3.09Å
154M94.3Very high90.3Very high16 Ų1648.7 Ų48.78%0.07926%0.262CS..Hα-helixtrans-85.1-37.3168.5-172.8-175.8-56.300111.7C137 R139 K140 Y141 N142 N148 D151 V152C137-M154 PolarHBondContact SG-O 3.22Å; R139-M154 HydrophobicContact CB-CB 4.19Å; K140-M154 WeakPolarHBondContact O-CG 3.46Å; Y141-M154 HydrophobicContact CD2-CG 4.35Å; N142-M154 HydrophobicContact CB-SD 4Å; N142-M154 PolarHBondContact N-SD 2.84Å; N142-M154 VanDerWaalsContact N-SD 3.42Å; N148-M154 HydrophobicContact CB-CE 4.37Å; N148-M154 HydrophobicContact CB-SD 4.39Å; D151-M154 HydrophobicContact CB-CB 3.94Å; D151-M154 HydrophobicContact CB-CE 4.37Å; D151-M154 WeakPolarHBondContact O-CB 3.4Å; D151-M154 PolarHBondContact O-N 3.27Å; D151-M154 VanDerWaalsContact O-N 3.1Å; D151-M154 PolarHBondContact OD1-N 2.87Å; V152-M154 VanDerWaalsContact C-N 3.32Å; V152-M154 PolarHBondContact O-N 2.93Å
155H95.3Very high89.9Confident1 Ų149.6 Ų49.61%0.00527%0.269CS..Hα-helixtrans-106.9-24.3-166.4-66.8-36000115.9I80 Y98 K109 Y141 N148 D151 V152I80-H155 HydrophobicContact CD1-CB 3.38Å; Y98-H155 PolarHBondContact OH-ND1 3.16Å; K109-H155 PolarHBondContact NZ-O 3Å; Y141-H155 AromaticContact CE2-ND1 3.59Å; N148-H155 PolarHBondContact O-CD2 3.35Å; N148-H155 PolarHBondContact O-NE2 3.43Å; N148-H155 PolarHBondContact OD1-NE2 2.94Å; D151-H155 PolarHBondContact O-N 2.66Å; V152-H155 PolarHBondContact O-N 2.81Å
156L94.3Very high89.4Confident10 Ų1056.1 Ų56.15%0.05230%0.295CS..  trans-108.6126.5177.6-55.4-167.4000111.4I66 I78 I80 V152 I161 N162I66-L156 HydrophobicContact CD1-CD2 3.9Å; I78-L156 HydrophobicContact CB-CD1 3.94Å; I78-L156 HydrophobicContact CG2-CD1 3.84Å; I78-L156 HydrophobicContact CG2-CD2 4Å; I80-L156 HydrophobicContact CD1-CD2 4.44Å; V152-L156 HydrophobicContact CG1-CB 4.11Å; V152-L156 HydrophobicContact CG1-CD1 3.57Å; V152-L156 HydrophobicContact CG1-CG 3.83Å; V152-L156 WeakPolarHBondContact O-CB 3.35Å; V152-L156 PolarHBondContact O-N 3.49Å; L156-I161 HydrophobicContact CB-CD1 3.94Å; L156-I161 HydrophobicContact CD1-CD1 3.71Å; L156-I161 HydrophobicContact CG-CD1 4.45Å; L156-N162 PolarHBondContact O-ND2 3.3Å
157T93.4Very high89.3Confident8 Ų855 Ų555%0.04929%0.293CS..  trans-87.3-2.9-175.339.30000113.5K109 D111 Y159K109-T157 HydrophobicContact CD-CG2 4.43Å; K109-T157 HydrophobicContact CG-CG2 4.08Å; D111-T157 HydrophobicContact CB-CG2 4.24Å; D111-T157 WeakPolarHBondContact OD2-CB 3.49Å; D111-T157 PolarHBondContact OD2-OG1 2.96Å; T157-Y159 PolarHBondContact O-N 2.9Å
158N90.1Very high88.9Confident23 Ų2351 Ų5112%0.12326%0.261CS..  trans-62.2127.3-175.4-59.895.7000111.2S160 I161 N162N158-S160 PolarHBondContact O-N 3.2Å; N158-I161 HydrophobicContact CB-CD1 4.15Å; N158-I161 HydrophobicContact CB-CG1 4.25Å; N158-I161 PolarHBondContact O-N 3.33Å; N158-N162 PolarHBondContact O-N 2.98Å; N158-N162 VanDerWaalsContact O-N 3.13Å; N158-N162 PolarHBondContact O-ND2 3.36Å; N158-N162 VanDerWaalsContact O-ND2 3.13Å
159Y86.6Confident88.4Confident52 Ų5253.7 Ų53.720%0.20428%0.278CS..Hα-helixtrans-55-38.3176.4172.5-109.5000112.4T157 I161 N162 K163 F168 D263T157-Y159 PolarHBondContact O-N 2.9Å; Y159-I161 PolarHBondContact O-N 3.01Å; Y159-N162 PolarHBondContact O-N 3.22Å; Y159-K163 HydrophobicContact CD1-CD 4.27Å; Y159-K163 HydrophobicContact CD2-CB 3.91Å; Y159-K163 HydrophobicContact CE1-CB 4.31Å; Y159-K163 HydrophobicContact CE1-CD 3.74Å; Y159-K163 HydrophobicContact CE2-CB 3.53Å; Y159-K163 HydrophobicContact CE2-CD 4.47Å; Y159-K163 HydrophobicContact CG-CB 4.44Å; Y159-K163 WeakPolarHBondContact O-CB 3.47Å; Y159-K163 VanDerWaalsContact O-CG 3.22Å; Y159-K163 WeakPolarHBondContact O-CG 3.41Å; Y159-K163 PolarHBondContact O-N 2.59Å; Y159-F168 HydrophobicContact CD2-CE2 4.09Å; Y159-F168 AromaticContact CD2-CZ 3.83Å; Y159-F168 HydrophobicContact CD2-CZ 3.83Å; Y159-F168 HydrophobicContact CE2-CE1 4.21Å; Y159-F168 HydrophobicContact CE2-CE2 4.26Å; Y159-F168 AromaticContact CE2-CZ 3.63Å; Y159-F168 HydrophobicContact CE2-CZ 3.63Å; Y159-D263 WeakPolarHBondContact CE1-OD2 3.39Å; Y159-D263 VanDerWaalsContact CZ-OD2 3.29Å; Y159-D263 WeakPolarHBondContact OH-CB 3.36Å; Y159-D263 PolarHBondContact OH-OD2 2.95Å
160S84.5Confident87.8Confident42 Ų4262.4 Ų62.429%0.29431%0.31SS..Hα-helixtrans-58.1-27.8177.243.70000114.8Q74 N158Q74-S160 WeakPolarHBondContact CA-OG 3.32Å; Q74-S160 WeakPolarHBondContact CB-OG 3.37Å; Q74-S160 PolarHBondContact O-OG 2.64Å; N158-S160 PolarHBondContact O-N 3.2Å
161I85.4Confident87.2Confident41 Ų4157.7 Ų57.721%0.2129%0.29CS..Hα-helixtrans-88.2-50.1178-62.9176.6000109.3V152 L156 N158 Y159V152-I161 HydrophobicContact CG1-CD1 3.82Å; V152-I161 HydrophobicContact CG1-CG2 3.96Å; L156-I161 HydrophobicContact CB-CD1 3.94Å; L156-I161 HydrophobicContact CD1-CD1 3.71Å; L156-I161 HydrophobicContact CG-CD1 4.45Å; N158-I161 HydrophobicContact CB-CD1 4.15Å; N158-I161 HydrophobicContact CB-CG1 4.25Å; N158-I161 PolarHBondContact O-N 3.33Å; Y159-I161 PolarHBondContact O-N 3.01Å
162N89.4Confident85.8Confident1 Ų161.3 Ų61.31%0.00531%0.306CS..Hα-helixtrans-76.8-26.6-170.8-75-81.8000114.1T138 L156 N158 Y159 N164 S165 F168T138-N162 WeakPolarHBondContact CB-OD1 3.37Å; T138-N162 HydrophobicContact CG2-CB 3.78Å; T138-N162 WeakPolarHBondContact CG2-OD1 3.47Å; T138-N162 PolarHBondContact N-OD1 3.21Å; T138-N162 PolarHBondContact OG1-OD1 2.7Å; L156-N162 PolarHBondContact O-ND2 3.3Å; N158-N162 PolarHBondContact O-N 2.98Å; N158-N162 VanDerWaalsContact O-N 3.13Å; N158-N162 PolarHBondContact O-ND2 3.36Å; N158-N162 VanDerWaalsContact O-ND2 3.13Å; Y159-N162 PolarHBondContact O-N 3.22Å; N162-N164 PolarHBondContact O-N 3.05Å; N162-N164 VanDerWaalsContact O-N 3.09Å; N162-S165 WeakPolarHBondContact O-CB 3.12Å; N162-S165 PolarHBondContact O-N 3.35Å; N162-F168 HydrophobicContact CB-CD2 4.1Å; N162-F168 HydrophobicContact CB-CE2 4.36Å; N162-F168 WeakPolarHBondContact O-CB 3.47Å; N162-F168 VanDerWaalsContact O-CD2 3.24Å; N162-F168 WeakPolarHBondContact O-CD2 3.49Å
163K84.2Confident84.5Confident78 Ų7864 Ų6434%0.33932%0.319SS..THydrogen-bonded Turntrans-62.9-19.7-173.569.7170.8-163.7162.30115.6Y159Y159-K163 HydrophobicContact CD1-CD 4.27Å; Y159-K163 HydrophobicContact CD2-CB 3.91Å; Y159-K163 HydrophobicContact CE1-CB 4.31Å; Y159-K163 HydrophobicContact CE1-CD 3.74Å; Y159-K163 HydrophobicContact CE2-CB 3.53Å; Y159-K163 HydrophobicContact CE2-CD 4.47Å; Y159-K163 HydrophobicContact CG-CB 4.44Å; Y159-K163 WeakPolarHBondContact O-CB 3.47Å; Y159-K163 VanDerWaalsContact O-CG 3.22Å; Y159-K163 WeakPolarHBondContact O-CG 3.41Å; Y159-K163 PolarHBondContact O-N 2.59Å
164N82.2Confident83.6Confident136 Ų13666.8 Ų66.873%0.72734%0.337SS*.THydrogen-bonded Turntrans-101.81.3178.5-70.58.9000112N162N162-N164 PolarHBondContact O-N 3.05Å; N162-N164 VanDerWaalsContact O-N 3.09Å
165S85.4Confident82.9Confident26 Ų2666 Ų6618%0.18233%0.334CS..SBendtrans-74.7138.3175.5-174.30000109.9T138 N162 N167 F168T138-S165 WeakPolarHBondContact CB-OG 3.45Å; T138-S165 WeakPolarHBondContact OG1-CB 3.12Å; T138-S165 PolarHBondContact OG1-OG 3.07Å; N162-S165 WeakPolarHBondContact O-CB 3.12Å; N162-S165 PolarHBondContact O-N 3.35Å; S165-N167 PolarHBondContact O-N 3.47Å; S165-N167 VanDerWaalsContact O-N 3.15Å; S165-F168 VanDerWaalsContact O-CB 3.25Å; S165-F168 WeakPolarHBondContact O-CB 3.49Å; S165-F168 PolarHBondContact O-N 2.87Å
166E81.6Confident82.5Confident197 Ų19766.5 Ų66.592%0.92134%0.337SS*.THydrogen-bonded Turntrans-57.2-28.5175.5-64.8169.5-177.600112.2F168E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 2.9Å
167N85.9Confident82.4Confident93 Ų9366.9 Ų66.950%0.49734%0.339SS..THydrogen-bonded Turntrans-8713178.2-62.8-35.5000113.6T138 S165 V169T138-N167 WeakPolarHBondContact O-CB 3.44Å; T138-N167 PolarHBondContact O-ND2 2.69Å; S165-N167 PolarHBondContact O-N 3.47Å; S165-N167 VanDerWaalsContact O-N 3.15Å; N167-V169 PolarHBondContact O-N 2.92Å
168F84.8Confident82.4Confident29 Ų2967.2 Ų67.213%0.12734%0.339CS..  trans-80102179.5-168.7-92.1000111.8T138 Y159 N162 S165 E166 R170 S176T138-F168 HydrophobicContact CG2-CB 4.06Å; T138-F168 HydrophobicContact CG2-CD2 3.8Å; T138-F168 HydrophobicContact CG2-CG 4.42Å; Y159-F168 HydrophobicContact CD2-CE2 4.09Å; Y159-F168 AromaticContact CD2-CZ 3.83Å; Y159-F168 HydrophobicContact CD2-CZ 3.83Å; Y159-F168 HydrophobicContact CE2-CE1 4.21Å; Y159-F168 HydrophobicContact CE2-CE2 4.26Å; Y159-F168 AromaticContact CE2-CZ 3.63Å; Y159-F168 HydrophobicContact CE2-CZ 3.63Å; N162-F168 HydrophobicContact CB-CD2 4.1Å; N162-F168 HydrophobicContact CB-CE2 4.36Å; N162-F168 WeakPolarHBondContact O-CB 3.47Å; N162-F168 VanDerWaalsContact O-CD2 3.24Å; N162-F168 WeakPolarHBondContact O-CD2 3.49Å; S165-F168 VanDerWaalsContact O-CB 3.25Å; S165-F168 WeakPolarHBondContact O-CB 3.49Å; S165-F168 PolarHBondContact O-N 2.87Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 2.9Å; F168-R170 HydrophobicContact CD1-CG 3.87Å; F168-R170 HydrophobicContact CE1-CG 3.83Å; F168-S176 VanDerWaalsContact CE2-CB 3.47Å
169V83.9Confident82.7Confident75 Ų7567.6 Ų67.646%0.45534%0.34SS..  trans-84.8122.2-177-1770000110.3N167 D171 G175 S176N167-V169 PolarHBondContact O-N 2.92Å; V169-D171 HydrophobicContact CG1-CB 3.8Å; V169-D171 PolarHBondContact O-N 2.55Å; V169-G175 CarbonylContact O-C 3.52Å; V169-G175 VanDerWaalsContact O-CA 3.25Å; V169-G175 WeakPolarHBondContact O-CA 3.36Å; V169-S176 PolarHBondContact N-OG 3.21Å; V169-S176 VanDerWaalsContact N-OG 3.09Å; V169-S176 PolarHBondContact O-N 3.21Å
170R78.9Confident83.1Confident194 Ų19465.2 Ų65.273%0.73233%0.33SS*.  trans-99.267.8175.6-63.3-175.2-174.2-164.63.5110.7F168F168-R170 HydrophobicContact CD1-CG 3.87Å; F168-R170 HydrophobicContact CE1-CG 3.83Å
171D77.3Confident83.6Confident71 Ų7165.7 Ų65.738%0.3833%0.334SS..  trans-126.8146.7177.8179-95.6000109.6V169 N173 C174 G175V169-D171 HydrophobicContact CG1-CB 3.8Å; V169-D171 PolarHBondContact O-N 2.55Å; D171-N173 PolarHBondContact OD1-N 2.88Å; D171-C174 PolarHBondContact OD1-N 3.32Å; D171-G175 WeakPolarHBondContact O-CA 3.47Å; D171-G175 PolarHBondContact O-N 3.07Å
172E62.6Low83.9Confident104 Ų10465.4 Ų65.449%0.48634%0.335SS..THydrogen-bonded Turntrans-76.8-28.7-174.8-61.8-164.9145.400113.4
173N64.2Low84.1Confident121 Ų12165.5 Ų65.565%0.64734%0.336SS*.THydrogen-bonded Turntrans-97.9-42.7-173.3-64.2-46.5000112.1D171 R178D171-N173 PolarHBondContact OD1-N 2.88Å; N173-R178 WeakPolarHBondContact O-CD 3.41Å; N173-R178 PolarHBondContact O-NE 3.02Å
174C70.7Confident84.6Confident84 Ų8463.2 Ų63.257%0.56833%0.327SS*.THydrogen-bonded Turntrans-112.9-4.6-175.8-68.40000113.5D171 R178D171-C174 PolarHBondContact OD1-N 3.32Å; C174-R178 VanDerWaalsContact C-NH2 3.32Å; C174-R178 PolarHBondContact O-NH2 3Å
175G80.4Confident85.1Confident1 Ų162 Ų621%0.0132%0.317CS..SBendtrans-67.8171.4-172.800000115.8V169 D171 K177 R178V169-G175 CarbonylContact O-C 3.52Å; V169-G175 VanDerWaalsContact O-CA 3.25Å; V169-G175 WeakPolarHBondContact O-CA 3.36Å; D171-G175 WeakPolarHBondContact O-CA 3.47Å; D171-G175 PolarHBondContact O-N 3.07Å; G175-K177 PolarHBondContact O-N 3.24Å; G175-R178 WeakPolarHBondContact O-CG 3.16Å; G175-R178 PolarHBondContact O-NE 2.78Å
176S87.3Confident85.4Confident11 Ų1163.9 Ų63.98%0.07732%0.323CS..SBendtrans-75.4-0.1-179.4-53.20000113.8F136 F168 V169F136-S176 PolarHBondContact N-O 3Å; F168-S176 VanDerWaalsContact CE2-CB 3.47Å; V169-S176 PolarHBondContact N-OG 3.21Å; V169-S176 VanDerWaalsContact N-OG 3.09Å; V169-S176 PolarHBondContact O-N 3.21Å
177K92.1Very high86Confident18 Ų1854.5 Ų54.58%0.07828%0.279CS..EExtended strand (participates in β ladder)trans-140.9123.4171.7-175.5-170.9-58.5-174.50107.6L133 A134 G175 L266 D267L133-K177 HydrophobicContact CD2-CD 4.2Å; L133-K177 HydrophobicContact CD2-CG 4.27Å; A134-K177 WeakPolarHBondContact O-CA 3.34Å; G175-K177 PolarHBondContact O-N 3.24Å; K177-L266 HydrophobicContact CD-CD2 4.1Å; K177-L266 HydrophobicContact CG-CD2 4.21Å; K177-D267 IonicContact NZ-OD1 2.61Å; K177-D267 PolarHBondContact NZ-OD1 3.31Å; K177-D267 IonicContact NZ-OD2 2.91Å; K177-D267 PolarHBondContact NZ-OD2 2.96Å
178R93.8Very high86.3Confident14 Ų1454.1 Ų54.15%0.05327%0.274CS..EExtended strand (participates in β ladder)trans-131.5155.6-178.1-52.8-177-164.8173.94.4110.3D106 A134 F136 N173 C174 G175D106-R178 IonicContact OD2-CZ 3.4Å; D106-R178 IonicContact OD2-NH1 3.1Å; D106-R178 PolarHBondContact OD2-NH1 2.92Å; D106-R178 VanDerWaalsContact OD2-NH1 3.1Å; D106-R178 IonicContact OD2-NH2 2.74Å; D106-R178 PolarHBondContact OD2-NH2 2.87Å; A134-R178 HydrophobicContact CB-CB 4.45Å; A134-R178 PolarHBondContact N-O 3.41Å; A134-R178 PolarHBondContact O-N 2.89Å; F136-R178 HydrophobicContact CD2-CG 4.47Å; F136-R178 HydrophobicContact CE2-CB 4.22Å; F136-R178 HydrophobicContact CE2-CG 3.82Å; F136-R178 HydrophobicContact CZ-CG 4.46Å; N173-R178 WeakPolarHBondContact O-CD 3.41Å; N173-R178 PolarHBondContact O-NE 3.02Å; C174-R178 VanDerWaalsContact C-NH2 3.32Å; C174-R178 PolarHBondContact O-NH2 3Å; G175-R178 WeakPolarHBondContact O-CG 3.16Å; G175-R178 PolarHBondContact O-NE 2.78Å
179K94.9Very high86.7Confident32 Ų3260.3 Ų60.314%0.13930%0.303CS..EExtended strand (participates in β ladder)trans-68.9158.1171.9-66.4179.4-171.7169.20111L183 L266 E269 V270K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.09Å; K179-L266 HydrophobicContact CG-CD1 4.07Å; K179-L266 HydrophobicContact CG-CD2 4.19Å; K179-L266 HydrophobicContact CG-CG 3.85Å; K179-E269 WeakPolarHBondContact CE-OE1 3.32Å; K179-E269 WeakPolarHBondContact CE-OE2 3.35Å; K179-E269 IonicContact NZ-OE1 2.68Å; K179-E269 PolarHBondContact NZ-OE1 2.9Å; K179-E269 IonicContact NZ-OE2 2.68Å; K179-E269 PolarHBondContact NZ-OE2 3.43Å; K179-V270 HydrophobicContact CG-CG2 4.24Å
180L95.6Very high87Confident2 Ų260.4 Ų60.41%0.0130%0.3CS..Hα-helixtrans-71.9-33.9176.8-66.3-178.5000112.3L112 L114 E131 L183 N184 W198L112-L180 HydrophobicContact CD2-CD2 3.87Å; L114-L180 HydrophobicContact CD2-CD1 3.5Å; L114-L180 HydrophobicContact CD2-CD2 4.46Å; E131-L180 PolarHBondContact OE1-N 2.82Å; E131-L180 PolarHBondContact OE2-N 2.96Å; L180-L183 HydrophobicContact CD2-CD2 4.46Å; L180-L183 PolarHBondContact O-N 2.78Å; L180-N184 VanDerWaalsContact O-CB 3.25Å; L180-N184 WeakPolarHBondContact O-CB 3.47Å; L180-N184 PolarHBondContact O-N 2.83Å; L180-W198 HydrophobicContact CB-CH2 4.24Å; L180-W198 HydrophobicContact CD1-CH2 4.04Å; L180-W198 HydrophobicContact CD2-CH2 4.34Å; L180-W198 HydrophobicContact CG-CH2 4.43Å
181S94.3Very high87.7Confident52 Ų5258.6 Ų58.636%0.36430%0.304SS..Hα-helixtrans-59.7-49.6171.3480000112.1E131 L183 N184 Q185E131-S181 WeakPolarHBondContact OE2-CA 3.38Å; E131-S181 WeakPolarHBondContact OE2-CB 3.31Å; E131-S181 PolarHBondContact OE2-N 3.32Å; E131-S181 PolarHBondContact OE2-OG 3.25Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.81Å; S181-N184 WeakPolarHBondContact O-CB 3.31Å; S181-N184 PolarHBondContact O-N 2.95Å; S181-N184 VanDerWaalsContact O-N 3.14Å; S181-Q185 WeakPolarHBondContact O-CG 3.31Å; S181-Q185 PolarHBondContact O-N 3.33Å
182S93.3Very high88.3Confident34 Ų3456.4 Ų56.424%0.23830%0.295CS..Hα-helixtrans-60.1-41.3175.3-50.10000112H186S182-H186 WeakPolarHBondContact O-CB 3.42Å; S182-H186 PolarHBondContact O-N 2.84Å; S182-H186 VanDerWaalsContact O-N 3.1Å
183L93.2Very high89.6Confident4 Ų456 Ų562%0.02130%0.296CS..Hα-helixtrans-63.6-43.4173.3176.167.2000111.7I105 F110 L112 A134 K179 L180 S181 H186 L187I105-L183 HydrophobicContact CD1-CD1 3.32Å; F110-L183 HydrophobicContact CE2-CD1 4.28Å; F110-L183 HydrophobicContact CE2-CD2 3.9Å; F110-L183 HydrophobicContact CZ-CD1 4.39Å; L112-L183 HydrophobicContact CD2-CD2 3.36Å; A134-L183 HydrophobicContact CB-CB 4.46Å; A134-L183 HydrophobicContact CB-CD2 3.94Å; K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.09Å; L180-L183 HydrophobicContact CD2-CD2 4.46Å; L180-L183 PolarHBondContact O-N 2.78Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.81Å; L183-H186 PolarHBondContact O-N 3.31Å; L183-L187 HydrophobicContact CD1-CD1 4.4Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 2.95Å
184N93.9Very high91Very high30 Ų3051 Ų5116%0.1627%0.27CS..Hα-helixtrans-63.4-46.4-178.1-172.373.4000111.5L180 S181 H186 L187 E188 T194 W198L180-N184 VanDerWaalsContact O-CB 3.25Å; L180-N184 WeakPolarHBondContact O-CB 3.47Å; L180-N184 PolarHBondContact O-N 2.83Å; S181-N184 WeakPolarHBondContact O-CB 3.31Å; S181-N184 PolarHBondContact O-N 2.95Å; S181-N184 VanDerWaalsContact O-N 3.14Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-N 3.38Å; N184-L187 PolarHBondContact O-N 3.34Å; N184-E188 PolarHBondContact ND2-OE1 2.91Å; N184-E188 PolarHBondContact ND2-OE2 2.88Å; N184-E188 PolarHBondContact O-N 3.19Å; N184-T194 VanDerWaalsContact OD1-CB 3.29Å; N184-T194 WeakPolarHBondContact OD1-CB 3.45Å; N184-T194 VanDerWaalsContact OD1-CG2 3.32Å; N184-T194 WeakPolarHBondContact OD1-CG2 3.43Å; N184-W198 PolarHBondContact OD1-NE1 3.01Å
185Q93.1Very high92.1Very high111 Ų11153.9 Ų53.952%0.51928%0.275SS..Hα-helixtrans-55.8-46171.8-70.7171.1-2.300110.9S181 L187 E188 H189S181-Q185 WeakPolarHBondContact O-CG 3.31Å; S181-Q185 PolarHBondContact O-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.07Å; Q185-E188 PolarHBondContact O-N 3.07Å; Q185-H189 PolarHBondContact O-N 3.15Å; Q185-H189 PolarHBondContact O-ND1 3.2Å
186H92.5Very high92.8Very high64 Ų6459.1 Ų59.130%0.29630%0.297SS..Hα-helixtrans-63.7-38.7178.4-177.276.5000113.1S182 L183 N184 H189 M190S182-H186 WeakPolarHBondContact O-CB 3.42Å; S182-H186 PolarHBondContact O-N 2.84Å; S182-H186 VanDerWaalsContact O-N 3.1Å; L183-H186 PolarHBondContact O-N 3.31Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-N 3.38Å; H186-H189 PolarHBondContact O-N 3.08Å; H186-M190 WeakPolarHBondContact O-CG 3.48Å; H186-M190 PolarHBondContact O-N 3.5Å
187L93.1Very high93.2Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-64.5-40.4173.8-70.6170000112F103 I105 L183 N184 Q185 M190 N191 C192 T194 M197 L247F103-L187 HydrophobicContact CD1-CD2 4.33Å; F103-L187 HydrophobicContact CE1-CD2 3.56Å; F103-L187 HydrophobicContact CZ-CD2 4.01Å; I105-L187 HydrophobicContact CD1-CD2 4.47Å; L183-L187 HydrophobicContact CD1-CD1 4.4Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 2.95Å; N184-L187 PolarHBondContact O-N 3.34Å; Q185-L187 PolarHBondContact O-N 3.07Å; L187-M190 HydrophobicContact CD2-CE 3.82Å; L187-M190 CarbonylContact O-C 3.57Å; L187-M190 WeakPolarHBondContact O-CA 3.19Å; L187-M190 PolarHBondContact O-N 2.89Å; L187-M190 VanDerWaalsContact O-N 3.12Å; L187-N191 PolarHBondContact O-N 3.45Å; L187-C192 HydrophobicContact CB-CB 4.12Å; L187-C192 HydrophobicContact CD2-CB 4.42Å; L187-C192 VanDerWaalsContact O-CB 3.25Å; L187-C192 WeakPolarHBondContact O-CB 3.28Å; L187-C192 PolarHBondContact O-N 2.79Å; L187-T194 HydrophobicContact CB-CG2 3.59Å; L187-T194 HydrophobicContact CD1-CG2 4.32Å; L187-M197 HydrophobicContact CD1-CE 3.77Å; L187-M197 HydrophobicContact CD1-SD 3.87Å; L187-L247 HydrophobicContact CD2-CD2 4.39Å
188E93.4Very high93.4Very high86 Ų8660 Ų6040%0.40230%0.299SS..Hα-helixtrans-63.6-42.3175.9-79.9155.2-172.800112N184 Q185 M190 N191 T194N184-E188 PolarHBondContact ND2-OE1 2.91Å; N184-E188 PolarHBondContact ND2-OE2 2.88Å; N184-E188 PolarHBondContact O-N 3.19Å; Q185-E188 PolarHBondContact O-N 3.07Å; E188-M190 PolarHBondContact O-N 3.22Å; E188-N191 WeakPolarHBondContact O-CA 3.3Å; E188-N191 PolarHBondContact O-N 3.06Å; E188-T194 HydrophobicContact CG-CG2 3.82Å; E188-T194 PolarHBondContact OE1-OG1 3.17Å
189H92.8Very high93.6Very high158 Ų15861.9 Ų61.973%0.73131%0.309SS*.Hα-helixtrans-63.1-25.2172.5-72.884.7000113.1Q185 H186 N191Q185-H189 PolarHBondContact O-N 3.15Å; Q185-H189 PolarHBondContact O-ND1 3.2Å; H186-H189 PolarHBondContact O-N 3.08Å; H189-N191 VanDerWaalsContact C-N 3.26Å; H189-N191 PolarHBondContact O-N 3.44Å
190M90.4Very high93.7Very high77 Ų7762.5 Ų62.538%0.37931%0.314SS..THydrogen-bonded Turntrans-85.711.4171.1-67.6-169.6-63.200113.6F103 I105 H186 L187 E188 C192F103-M190 HydrophobicContact CE1-CE 3.99Å; F103-M190 HydrophobicContact CZ-CE 4.05Å; I105-M190 HydrophobicContact CD1-CE 4.45Å; I105-M190 HydrophobicContact CG1-CE 4.23Å; H186-M190 WeakPolarHBondContact O-CG 3.48Å; H186-M190 PolarHBondContact O-N 3.5Å; L187-M190 HydrophobicContact CD2-CE 3.82Å; L187-M190 CarbonylContact O-C 3.57Å; L187-M190 WeakPolarHBondContact O-CA 3.19Å; L187-M190 PolarHBondContact O-N 2.89Å; L187-M190 VanDerWaalsContact O-N 3.12Å; E188-M190 PolarHBondContact O-N 3.22Å; M190-C192 PolarHBondContact O-N 3.03Å
191N91.9Very high93.8Very high156 Ų15662.4 Ų62.483%0.83431%0.314SS*.THydrogen-bonded Turntrans55.430.9-176.6-59.5-72.2000114L187 E188 H189L187-N191 PolarHBondContact O-N 3.45Å; E188-N191 WeakPolarHBondContact O-CA 3.3Å; E188-N191 PolarHBondContact O-N 3.06Å; H189-N191 VanDerWaalsContact C-N 3.26Å; H189-N191 PolarHBondContact O-N 3.44Å
192C90Very high94Very high26 Ų2660.3 Ų60.318%0.17630%0.298CS..  trans-79.9142.7175.3-65.50000111.1L187 M190 T194 L247L187-C192 HydrophobicContact CB-CB 4.12Å; L187-C192 HydrophobicContact CD2-CB 4.42Å; L187-C192 VanDerWaalsContact O-CB 3.25Å; L187-C192 WeakPolarHBondContact O-CB 3.28Å; L187-C192 PolarHBondContact O-N 2.79Å; M190-C192 PolarHBondContact O-N 3.03Å; C192-T194 PolarHBondContact O-N 3.37Å; C192-L247 HydrophobicContact CB-CD1 3.63Å
193N91.1Very high94.2Very high96 Ų9659.8 Ų59.851%0.51329%0.293SS..  trans-77.285.8173.9-172.2-30.8000110.6K196 M197N193-K196 HydrophobicContact CB-CB 4.48Å; N193-K196 VanDerWaalsContact OD1-CB 3.23Å; N193-K196 WeakPolarHBondContact OD1-CB 3.5Å; N193-K196 PolarHBondContact OD1-N 3.01Å; N193-M197 PolarHBondContact O-N 3.12Å
194T92.3Very high94.4Very high15 Ų1559.8 Ų59.89%0.09229%0.293CS..Hα-helixtrans-67-3917949.50000112.5N184 L187 E188 C192 K196 M197 W198N184-T194 VanDerWaalsContact OD1-CB 3.29Å; N184-T194 WeakPolarHBondContact OD1-CB 3.45Å; N184-T194 VanDerWaalsContact OD1-CG2 3.32Å; N184-T194 WeakPolarHBondContact OD1-CG2 3.43Å; L187-T194 HydrophobicContact CB-CG2 3.59Å; L187-T194 HydrophobicContact CD1-CG2 4.32Å; E188-T194 HydrophobicContact CG-CG2 3.82Å; E188-T194 PolarHBondContact OE1-OG1 3.17Å; C192-T194 PolarHBondContact O-N 3.37Å; T194-K196 PolarHBondContact O-N 2.74Å; T194-M197 WeakPolarHBondContact O-CB 3.38Å; T194-M197 PolarHBondContact O-N 2.7Å; T194-M197 VanDerWaalsContact O-N 3.16Å; T194-W198 PolarHBondContact O-N 3.49Å
195E93.8Very high94.7Very high145 Ų14558.4 Ų58.468%0.67829%0.285SS*.Hα-helixtrans-58.8-46.1179.7-168-164.2168.300112.2W198 N199E195-W198 PolarHBondContact O-N 3.12Å; E195-N199 WeakPolarHBondContact O-CB 3.49Å; E195-N199 PolarHBondContact O-N 3.11Å; E195-N199 PolarHBondContact O-ND2 2.99Å
196K95.3Very high94.9Very high111 Ų11153.1 Ų53.148%0.48326%0.261SS..Hα-helixtrans-65.6-41.6176.4-165.5-149.1177.2-58.50111.1N193 T194 N199 D200N193-K196 HydrophobicContact CB-CB 4.48Å; N193-K196 VanDerWaalsContact OD1-CB 3.23Å; N193-K196 WeakPolarHBondContact OD1-CB 3.5Å; N193-K196 PolarHBondContact OD1-N 3.01Å; T194-K196 PolarHBondContact O-N 2.74Å; K196-N199 PolarHBondContact O-N 2.99Å; K196-D200 IonicContact NZ-OD1 3.7Å; K196-D200 PolarHBondContact NZ-OD1 3.39Å; K196-D200 IonicContact NZ-OD2 3.04Å; K196-D200 PolarHBondContact NZ-OD2 3.47Å; K196-D200 PolarHBondContact O-N 3.02Å
197M96.4Very high95.1Very high3 Ų350.6 Ų50.62%0.01525%0.249CC..Hα-helixtrans-59.3-46.6177.7-179.7-164.972.200111.4L187 N193 T194 D200 I201 L243 L247L187-M197 HydrophobicContact CD1-CE 3.77Å; L187-M197 HydrophobicContact CD1-SD 3.87Å; N193-M197 PolarHBondContact O-N 3.12Å; T194-M197 WeakPolarHBondContact O-CB 3.38Å; T194-M197 PolarHBondContact O-N 2.7Å; T194-M197 VanDerWaalsContact O-N 3.16Å; M197-D200 PolarHBondContact O-N 3.31Å; M197-I201 HydrophobicContact CG-CD1 4.12Å; M197-I201 VanDerWaalsContact O-CG1 3.3Å; M197-I201 WeakPolarHBondContact O-CG1 3.39Å; M197-I201 PolarHBondContact O-N 3.02Å; M197-L243 HydrophobicContact CG-CD1 4.49Å; M197-L243 HydrophobicContact CG-CD2 3.85Å; M197-L243 HydrophobicContact SD-CD1 3.49Å; M197-L243 WeakPolarHBondContact SD-CD1 3.32Å; M197-L243 HydrophobicContact SD-CD2 3.94Å; M197-L243 HydrophobicContact SD-CG 4.38Å; M197-L247 HydrophobicContact SD-CD2 4.48Å
198W97Very high95.4Very high45 Ų4550.6 Ų50.617%0.1725%0.249CC..Hα-helixtrans-67-40.5177-69.6118.2000112.5L114 M128 L180 N184 T194 E195 D200 I201 E202L114-W198 HydrophobicContact CD2-CH2 4.44Å; L114-W198 HydrophobicContact CD2-CZ3 3.98Å; M128-W198 HydrophobicContact CE-CE3 3.74Å; M128-W198 HydrophobicContact CE-CZ3 3.6Å; L180-W198 HydrophobicContact CB-CH2 4.24Å; L180-W198 HydrophobicContact CD1-CH2 4.04Å; L180-W198 HydrophobicContact CD2-CH2 4.34Å; L180-W198 HydrophobicContact CG-CH2 4.43Å; N184-W198 PolarHBondContact OD1-NE1 3.01Å; T194-W198 PolarHBondContact O-N 3.49Å; E195-W198 PolarHBondContact O-N 3.12Å; W198-D200 VanDerWaalsContact C-N 3.33Å; W198-D200 PolarHBondContact O-N 3.34Å; W198-I201 HydrophobicContact CD2-CD1 4.43Å; W198-I201 HydrophobicContact CE3-CB 4.4Å; W198-I201 HydrophobicContact CE3-CD1 3.68Å; W198-I201 HydrophobicContact CE3-CG2 4.27Å; W198-I201 HydrophobicContact CZ3-CD1 3.8Å; W198-I201 HydrophobicContact CZ3-CG2 4.5Å; W198-I201 WeakPolarHBondContact O-CB 3.26Å; W198-I201 PolarHBondContact O-N 3.38Å; W198-I201 VanDerWaalsContact O-N 3.16Å; W198-E202 WeakPolarHBondContact O-CG 3.39Å; W198-E202 PolarHBondContact O-N 3.4Å
199N96.4Very high95.6Very high52 Ų5246.6 Ų46.628%0.27823%0.23SC..Hα-helixtrans-60.6-40.4173.4-87-69.9000112.7E195 K196 D203 R345E195-N199 WeakPolarHBondContact O-CB 3.49Å; E195-N199 PolarHBondContact O-N 3.11Å; E195-N199 PolarHBondContact O-ND2 2.99Å; K196-N199 PolarHBondContact O-N 2.99Å; N199-D203 WeakPolarHBondContact O-CB 3.32Å; N199-D203 PolarHBondContact O-N 2.79Å; N199-D203 VanDerWaalsContact O-N 3.12Å; N199-R345 PolarHBondContact OD1-NH2 2.76Å
200D97.4Very high95.7Very high45 Ų4539 Ų3924%0.24120%0.195CC..Hα-helixtrans-64.9-40.6173.8-71.1-6.4000110.7K196 M197 W198 D203 I204 P249K196-D200 IonicContact NZ-OD1 3.7Å; K196-D200 PolarHBondContact NZ-OD1 3.39Å; K196-D200 IonicContact NZ-OD2 3.04Å; K196-D200 PolarHBondContact NZ-OD2 3.47Å; K196-D200 PolarHBondContact O-N 3.02Å; M197-D200 PolarHBondContact O-N 3.31Å; W198-D200 VanDerWaalsContact C-N 3.33Å; W198-D200 PolarHBondContact O-N 3.34Å; D200-D203 PolarHBondContact O-N 3.4Å; D200-I204 WeakPolarHBondContact O-CG1 3.31Å; D200-I204 PolarHBondContact O-N 2.91Å; D200-P249 HydrophobicContact CB-CG 3.53Å
201I98.4Very high95.9Very high0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-62.1-46.6176.7-75.8169.1000111.7L112 L114 M128 M197 W198 D203 I204 I205 V241 L243 P249L112-I201 HydrophobicContact CD1-CD1 3.92Å; L114-I201 HydrophobicContact CD1-CG2 3.27Å; M128-I201 HydrophobicContact CE-CG2 4.01Å; M128-I201 HydrophobicContact SD-CG2 4.23Å; M197-I201 HydrophobicContact CG-CD1 4.12Å; M197-I201 VanDerWaalsContact O-CG1 3.3Å; M197-I201 WeakPolarHBondContact O-CG1 3.39Å; M197-I201 PolarHBondContact O-N 3.02Å; W198-I201 HydrophobicContact CD2-CD1 4.43Å; W198-I201 HydrophobicContact CE3-CB 4.4Å; W198-I201 HydrophobicContact CE3-CD1 3.68Å; W198-I201 HydrophobicContact CE3-CG2 4.27Å; W198-I201 HydrophobicContact CZ3-CD1 3.8Å; W198-I201 HydrophobicContact CZ3-CG2 4.5Å; W198-I201 WeakPolarHBondContact O-CB 3.26Å; W198-I201 PolarHBondContact O-N 3.38Å; W198-I201 VanDerWaalsContact O-N 3.16Å; I201-D203 VanDerWaalsContact C-N 3.32Å; I201-D203 PolarHBondContact O-N 3.01Å; I201-I204 WeakPolarHBondContact O-CB 3.42Å; I201-I204 PolarHBondContact O-N 2.91Å; I201-I205 HydrophobicContact CG2-CD1 3.96Å; I201-I205 WeakPolarHBondContact O-CG1 3.38Å; I201-I205 PolarHBondContact O-N 3.42Å; I201-V241 HydrophobicContact CG1-CG1 4.42Å; I201-L243 HydrophobicContact CD1-CD2 4.48Å; I201-P249 HydrophobicContact CG1-CB 3.65Å; I201-P249 HydrophobicContact CG1-CG 3.91Å
202E98Very high96Very high8 Ų828 Ų284%0.03714%0.138CC..Hα-helixtrans-59-43.7176.1-70.6177.9-162.800111.5M128 W198 I204 I205 I206 K340 I342 R345M128-E202 HydrophobicContact SD-CG 4.17Å; W198-E202 WeakPolarHBondContact O-CG 3.39Å; W198-E202 PolarHBondContact O-N 3.4Å; E202-I204 VanDerWaalsContact C-N 3.34Å; E202-I204 PolarHBondContact O-N 3.48Å; E202-I205 PolarHBondContact O-N 2.88Å; E202-I206 WeakPolarHBondContact O-CD1 3.46Å; E202-I206 VanDerWaalsContact O-CG1 3.24Å; E202-I206 WeakPolarHBondContact O-CG1 3.26Å; E202-I206 PolarHBondContact O-N 3.2Å; E202-K340 WeakPolarHBondContact OE1-CE 3.46Å; E202-K340 IonicContact OE1-NZ 3.4Å; E202-K340 PolarHBondContact OE1-NZ 2.85Å; E202-K340 IonicContact OE2-NZ 3.22Å; E202-I342 HydrophobicContact CB-CG2 4.45Å; E202-I342 HydrophobicContact CG-CB 4.44Å; E202-I342 HydrophobicContact CG-CG2 3.83Å; E202-R345 IonicContact OE2-NH1 3.77Å; E202-R345 PolarHBondContact OE2-NH1 2.87Å
203D97.6Very high96.2Very high24 Ų2427.7 Ų27.713%0.12813%0.134CC..Hα-helixtrans-63.2-36.5177.7-177.190000112.1N199 D200 I201 K207 K350 Y351N199-D203 WeakPolarHBondContact O-CB 3.32Å; N199-D203 PolarHBondContact O-N 2.79Å; N199-D203 VanDerWaalsContact O-N 3.12Å; D200-D203 PolarHBondContact O-N 3.4Å; I201-D203 VanDerWaalsContact C-N 3.32Å; I201-D203 PolarHBondContact O-N 3.01Å; D203-K207 VanDerWaalsContact O-CB 3.3Å; D203-K207 WeakPolarHBondContact O-CB 3.39Å; D203-K207 VanDerWaalsContact O-CG 3.28Å; D203-K207 WeakPolarHBondContact O-CG 3.29Å; D203-K207 PolarHBondContact O-N 3.15Å; D203-K207 IonicContact OD1-NZ 3.12Å; D203-K207 WeakPolarHBondContact OD2-CD 3.43Å; D203-K207 WeakPolarHBondContact OD2-CE 3.3Å; D203-K207 IonicContact OD2-NZ 3.21Å; D203-K207 PolarHBondContact OD2-NZ 2.96Å; D203-K350 IonicContact OD1-NZ 2.84Å; D203-K350 PolarHBondContact OD1-NZ 2.93Å; D203-Y351 WeakPolarHBondContact OD1-CE1 3.49Å; D203-Y351 PolarHBondContact OD1-OH 3.39Å; D203-Y351 VanDerWaalsContact OD1-OH 3.07Å
204I98.4Very high96.2Very high4 Ų424 Ų242%0.02112%0.115CC..Hα-helixtrans-62-48.5170.5-68.7-168.3000111.7I39 D200 I201 E202 I206 K207 T208 P249 L251I39-I204 HydrophobicContact CB-CD1 3.96Å; I39-I204 HydrophobicContact CB-CG1 3.79Å; I39-I204 HydrophobicContact CD1-CG2 4.44Å; I39-I204 HydrophobicContact CG2-CD1 4.26Å; I39-I204 HydrophobicContact CG2-CG1 3.76Å; D200-I204 WeakPolarHBondContact O-CG1 3.31Å; D200-I204 PolarHBondContact O-N 2.91Å; I201-I204 WeakPolarHBondContact O-CB 3.42Å; I201-I204 PolarHBondContact O-N 2.91Å; E202-I204 VanDerWaalsContact C-N 3.34Å; E202-I204 PolarHBondContact O-N 3.48Å; I204-I206 PolarHBondContact O-N 3.07Å; I204-K207 PolarHBondContact O-N 3.27Å; I204-T208 VanDerWaalsContact O-CB 3.31Å; I204-T208 WeakPolarHBondContact O-CB 3.07Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 PolarHBondContact O-OG1 3.2Å; I204-P249 HydrophobicContact CD1-CB 3.83Å; I204-P249 HydrophobicContact CD1-CG 3.75Å; I204-P249 VanDerWaalsContact CD1-O 3.32Å; I204-P249 WeakPolarHBondContact CD1-O 3.3Å; I204-L251 HydrophobicContact CG2-CB 3.95Å; I204-L251 HydrophobicContact CG2-CD1 4.46Å
205I98.6Very high96.1Very high0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-60.7-48.8-178-67160.9000109.9L114 V116 I126 M128 I201 E202 T208 L209 F239 I342L114-I205 HydrophobicContact CD1-CD1 4.09Å; V116-I205 HydrophobicContact CB-CG2 4.35Å; V116-I205 HydrophobicContact CG1-CG2 3.68Å; V116-I205 HydrophobicContact CG2-CD1 3.81Å; V116-I205 HydrophobicContact CG2-CG1 4.17Å; V116-I205 HydrophobicContact CG2-CG2 3.75Å; I126-I205 HydrophobicContact CG2-CG2 4.23Å; M128-I205 HydrophobicContact CG-CD1 4.38Å; M128-I205 HydrophobicContact SD-CD1 3.59Å; M128-I205 VanDerWaalsContact SD-CD1 3.59Å; I201-I205 HydrophobicContact CG2-CD1 3.96Å; I201-I205 WeakPolarHBondContact O-CG1 3.38Å; I201-I205 PolarHBondContact O-N 3.42Å; E202-I205 PolarHBondContact O-N 2.88Å; I205-T208 PolarHBondContact O-N 3.49Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 PolarHBondContact O-N 3.01Å; I205-F239 HydrophobicContact CB-CE1 4.33Å; I205-F239 HydrophobicContact CG1-CD1 3.93Å; I205-F239 HydrophobicContact CG1-CE1 4.13Å; I205-F239 HydrophobicContact CG1-CG 4.29Å; I205-F239 HydrophobicContact CG2-CE1 4.26Å; I205-F239 HydrophobicContact CG2-CE2 4.3Å; I205-F239 HydrophobicContact CG2-CZ 4.03Å; I205-I342 HydrophobicContact CB-CD1 3.94Å; I205-I342 HydrophobicContact CD1-CD1 4.45Å; I205-I342 HydrophobicContact CG2-CD1 3.6Å
206I97.9Very high96Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-60.8-51.8-179.9-64.2161.6000110.6E202 I204 T208 L209 I210 I342 Y343 Y351E202-I206 WeakPolarHBondContact O-CD1 3.46Å; E202-I206 VanDerWaalsContact O-CG1 3.24Å; E202-I206 WeakPolarHBondContact O-CG1 3.26Å; E202-I206 PolarHBondContact O-N 3.2Å; I204-I206 PolarHBondContact O-N 3.07Å; I206-T208 VanDerWaalsContact C-N 3.31Å; I206-T208 PolarHBondContact O-N 2.74Å; I206-L209 PolarHBondContact O-N 3.36Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.31Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.46Å; I206-I210 PolarHBondContact O-N 2.88Å; I206-I342 HydrophobicContact CD1-CB 4.21Å; I206-I342 HydrophobicContact CD1-CD1 4.35Å; I206-I342 HydrophobicContact CD1-CG1 4.27Å; I206-I342 VanDerWaalsContact CD1-O 3.24Å; I206-I342 WeakPolarHBondContact CD1-O 3.31Å; I206-I342 HydrophobicContact CG1-CD1 3.85Å; I206-I342 HydrophobicContact CG1-CG1 4.03Å; I206-Y343 HydrophobicContact CG2-CD2 3.95Å; I206-Y351 HydrophobicContact CB-CE1 4.11Å; I206-Y351 HydrophobicContact CD1-CE2 3.81Å; I206-Y351 WeakPolarHBondContact CD1-OH 3.28Å; I206-Y351 HydrophobicContact CG2-CD1 3.67Å; I206-Y351 HydrophobicContact CG2-CD2 3.94Å; I206-Y351 HydrophobicContact CG2-CE1 3.64Å; I206-Y351 HydrophobicContact CG2-CE2 3.87Å; I206-Y351 HydrophobicContact CG2-CG 3.87Å
207K97.6Very high95.8Very high12 Ų1215.7 Ų15.75%0.0528%0.076CC..Hα-helixtrans-59.7-39.5178.4-76.9172.3178169.60112.8D36 Y37 I39 D203 I204 I210 S211 Y351 Y354D36-K207 PolarHBondContact O-NZ 2.93Å; Y37-K207 HydrophobicContact CD1-CB 4.49Å; Y37-K207 HydrophobicContact CD2-CD 4.47Å; Y37-K207 HydrophobicContact CE1-CB 3.78Å; Y37-K207 HydrophobicContact CE1-CG 4.43Å; Y37-K207 HydrophobicContact CE2-CB 4.32Å; Y37-K207 HydrophobicContact CE2-CD 4.26Å; Y37-K207 HydrophobicContact CE2-CG 4.08Å; Y37-K207 PolarHBondContact OH-O 3.46Å; Y37-K207 VanDerWaalsContact OH-O 3.1Å; I39-K207 HydrophobicContact CD1-CB 3.76Å; I39-K207 HydrophobicContact CD1-CD 4.33Å; D203-K207 VanDerWaalsContact O-CB 3.3Å; D203-K207 WeakPolarHBondContact O-CB 3.39Å; D203-K207 VanDerWaalsContact O-CG 3.28Å; D203-K207 WeakPolarHBondContact O-CG 3.29Å; D203-K207 PolarHBondContact O-N 3.15Å; D203-K207 IonicContact OD1-NZ 3.12Å; D203-K207 WeakPolarHBondContact OD2-CD 3.43Å; D203-K207 WeakPolarHBondContact OD2-CE 3.3Å; D203-K207 IonicContact OD2-NZ 3.21Å; D203-K207 PolarHBondContact OD2-NZ 2.96Å; I204-K207 PolarHBondContact O-N 3.27Å; K207-I210 PolarHBondContact O-N 2.94Å; K207-S211 PolarHBondContact O-N 3.13Å; K207-S211 VanDerWaalsContact O-N 3.13Å; K207-Y351 HydrophobicContact CG-CD1 4.49Å; K207-Y351 HydrophobicContact CG-CE1 4.26Å; K207-Y354 HydrophobicContact CG-CE2 4.23Å
208T98.1Very high95.5Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-62.5-48.1177.1-56.40000110.7I16 L22 I204 I205 I206 S211 F239 L251 V254I16-T208 HydrophobicContact CB-CG2 4.35Å; I16-T208 HydrophobicContact CD1-CG2 4.42Å; I16-T208 HydrophobicContact CG2-CG2 4.02Å; L22-T208 HydrophobicContact CD1-CG2 4Å; I204-T208 VanDerWaalsContact O-CB 3.31Å; I204-T208 WeakPolarHBondContact O-CB 3.07Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 PolarHBondContact O-OG1 3.2Å; I205-T208 PolarHBondContact O-N 3.49Å; I206-T208 VanDerWaalsContact C-N 3.31Å; I206-T208 PolarHBondContact O-N 2.74Å; T208-S211 WeakPolarHBondContact O-CB 3.37Å; T208-S211 PolarHBondContact O-N 2.81Å; T208-S211 PolarHBondContact O-OG 3.18Å; T208-F239 HydrophobicContact CG2-CE1 3.95Å; T208-F239 HydrophobicContact CG2-CZ 4.33Å; T208-L251 HydrophobicContact CG2-CD2 3.77Å; T208-V254 HydrophobicContact CG2-CG2 3.98Å
209L97.6Very high95.3Very high1 Ų118.7 Ų18.71%0.0059%0.093CC..Hα-helixtrans-66.9-36.8179.3-84.7165.2000112.9M13 I16 V116 V118 F124 I126 I205 I206 S211 A212 H213 L237 F239M13-L209 HydrophobicContact SD-CD2 4.4Å; I16-L209 HydrophobicContact CD1-CD2 3.68Å; I16-L209 HydrophobicContact CD1-CG 4.25Å; V116-L209 HydrophobicContact CG1-CD1 3.99Å; V118-L209 HydrophobicContact CG2-CD1 3.96Å; V118-L209 HydrophobicContact CG2-CD2 3.89Å; F124-L209 HydrophobicContact CE1-CB 4.4Å; F124-L209 HydrophobicContact CZ-CB 3.79Å; I126-L209 HydrophobicContact CB-CD1 4.47Å; I126-L209 HydrophobicContact CD1-CB 3.83Å; I126-L209 HydrophobicContact CD1-CD1 3.77Å; I126-L209 HydrophobicContact CD1-CG 4.43Å; I126-L209 HydrophobicContact CG1-CD1 4.07Å; I126-L209 HydrophobicContact CG2-CD1 3.55Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 PolarHBondContact O-N 3.01Å; I206-L209 PolarHBondContact O-N 3.36Å; L209-S211 VanDerWaalsContact C-N 3.28Å; L209-S211 PolarHBondContact O-N 2.85Å; L209-A212 PolarHBondContact O-N 2.68Å; L209-H213 PolarHBondContact O-N 3.16Å; L209-L237 HydrophobicContact CD2-CD1 3.88Å; L209-F239 HydrophobicContact CD1-CZ 4.27Å; L209-F239 HydrophobicContact CG-CZ 4.21Å
210I95.9Very high95.1Very high0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-62.2-34.8173-66.4168.6000112.1F124 I206 K207 A212 H213 Y351 Y354 F355F124-I210 HydrophobicContact CE1-CG1 4Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.31Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.46Å; I206-I210 PolarHBondContact O-N 2.88Å; K207-I210 PolarHBondContact O-N 2.94Å; I210-A212 PolarHBondContact O-N 3.33Å; I210-A212 VanDerWaalsContact O-N 3.16Å; I210-H213 PolarHBondContact O-N 3.15Å; I210-Y351 HydrophobicContact CD1-CD1 4.04Å; I210-Y351 HydrophobicContact CD1-CG 4.11Å; I210-Y354 HydrophobicContact CD1-CD2 4.33Å; I210-F355 HydrophobicContact CD1-CE2 3.74Å; I210-F355 HydrophobicContact CD1-CZ 3.87Å; I210-F355 HydrophobicContact CG1-CE1 4.08Å; I210-F355 HydrophobicContact CG1-CE2 3.97Å; I210-F355 HydrophobicContact CG1-CZ 3.6Å; I210-F355 HydrophobicContact CG2-CD1 4.23Å; I210-F355 HydrophobicContact CG2-CD2 4.36Å; I210-F355 HydrophobicContact CG2-CE1 4.22Å; I210-F355 HydrophobicContact CG2-CE2 4.37Å; I210-F355 HydrophobicContact CG2-CG 4.32Å; I210-F355 HydrophobicContact CG2-CZ 4.31Å
211S94.9Very high94.7Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-61-26.6-178.779.20000113.9R28 K207 T208 L209R28-S211 PolarHBondContact NH2-O 3.5Å; R28-S211 VanDerWaalsContact NH2-O 3.07Å; K207-S211 PolarHBondContact O-N 3.13Å; K207-S211 VanDerWaalsContact O-N 3.13Å; T208-S211 WeakPolarHBondContact O-CB 3.37Å; T208-S211 PolarHBondContact O-N 2.81Å; T208-S211 PolarHBondContact O-OG 3.18Å; L209-S211 VanDerWaalsContact C-N 3.28Å; L209-S211 PolarHBondContact O-N 2.85Å
212A93.8Very high94.3Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-104.9-13.7176.300000114.4E15 I16 L209 I210 P214 I215 L216E15-A212 HydrophobicContact CB-CB 3.73Å; I16-A212 HydrophobicContact CG1-CB 4.46Å; I16-A212 HydrophobicContact CG2-CB 3.82Å; L209-A212 PolarHBondContact O-N 2.68Å; I210-A212 PolarHBondContact O-N 3.33Å; I210-A212 VanDerWaalsContact O-N 3.16Å; A212-P214 VanDerWaalsContact C-N 3.33Å; A212-P214 WeakPolarHBondContact O-CD 3.47Å; A212-P214 VanDerWaalsContact O-N 3.11Å; A212-I215 PolarHBondContact O-N 3.32Å; A212-L216 HydrophobicContact CB-CD1 3.57Å; A212-L216 VanDerWaalsContact O-CD1 3.24Å; A212-L216 WeakPolarHBondContact O-CD1 3.42Å; A212-L216 PolarHBondContact O-N 3.04Å; A212-L216 VanDerWaalsContact O-N 3.13Å
213H93.9Very high93.9Very high20 Ų2025.6 Ų25.69%0.09314%0.139CC..Hα-helixtrans-45.1-43.1-175.6175.9-97.4000115.4C121 F124 L209 I210 I215 L216 K217 F355C121-H213 PolarHBondContact O-NE2 3.16Å; F124-H213 AromaticContact CD1-CD2 3.62Å; F124-H213 AromaticContact CD2-CD2 3.7Å; F124-H213 HydrophobicContact CE1-CB 3.97Å; F124-H213 AromaticContact CE1-CD2 3.74Å; F124-H213 AromaticContact CE2-CD2 3.82Å; F124-H213 AromaticContact CG-CD2 3.54Å; F124-H213 AromaticContact CG-NE2 3.93Å; F124-H213 HydrophobicContact CZ-CB 4.02Å; F124-H213 AromaticContact CZ-CD2 3.78Å; L209-H213 PolarHBondContact O-N 3.16Å; I210-H213 PolarHBondContact O-N 3.15Å; H213-I215 VanDerWaalsContact C-N 3.29Å; H213-I215 PolarHBondContact O-N 2.88Å; H213-L216 PolarHBondContact O-N 2.65Å; H213-K217 WeakPolarHBondContact O-CB 3.49Å; H213-K217 PolarHBondContact O-N 3.33Å; H213-F355 HydrophobicContact CB-CE1 4.23Å; H213-F355 AromaticContact CE1-CE1 3.95Å; H213-F355 AromaticContact CG-CE1 3.74Å; H213-F355 AromaticContact ND1-CD1 3.52Å; H213-F355 AromaticContact ND1-CE1 3.55Å
214P90.6Very high93.5Very high19 Ų1925.6 Ų25.612%0.12314%0.137CC..Hα-helixtrans-62.7-37.7179.3-22.133.8000112.8A212 H218 S358 L361 F362A212-P214 VanDerWaalsContact C-N 3.33Å; A212-P214 WeakPolarHBondContact O-CD 3.47Å; A212-P214 VanDerWaalsContact O-N 3.11Å; P214-H218 VanDerWaalsContact O-CB 3.24Å; P214-H218 WeakPolarHBondContact O-CB 3.17Å; P214-H218 PolarHBondContact O-N 2.95Å; P214-S358 WeakPolarHBondContact CG-O 3.25Å; P214-S358 WeakPolarHBondContact CG-OG 3.21Å; P214-L361 HydrophobicContact CB-CD1 4.5Å; P214-L361 HydrophobicContact CG-CD1 4.47Å; P214-F362 HydrophobicContact CB-CE2 4.11Å; P214-F362 WeakPolarHBondContact O-CE2 3.23Å
215I90.6Very high92.7Very high22 Ų2229.8 Ų29.811%0.11317%0.165CC..Hα-helixtrans-73.9-41.7-178.1-59.8172.2000109.5E15 A212 H213 N219 L361 F362E15-I215 HydrophobicContact CG-CB 4.04Å; E15-I215 HydrophobicContact CG-CD1 3.64Å; E15-I215 HydrophobicContact CG-CG1 4.43Å; E15-I215 HydrophobicContact CG-CG2 3.76Å; E15-I215 WeakPolarHBondContact OE2-CD1 3.49Å; A212-I215 PolarHBondContact O-N 3.32Å; H213-I215 VanDerWaalsContact C-N 3.29Å; H213-I215 PolarHBondContact O-N 2.88Å; I215-N219 VanDerWaalsContact O-CB 3.26Å; I215-N219 WeakPolarHBondContact O-CB 3.36Å; I215-N219 PolarHBondContact O-N 2.74Å; I215-N219 PolarHBondContact O-ND2 3.5Å; I215-L361 HydrophobicContact CD1-CD1 3.89Å; I215-L361 HydrophobicContact CG1-CD1 4Å; I215-F362 HydrophobicContact CB-CE2 4.5Å; I215-F362 HydrophobicContact CB-CZ 4.23Å; I215-F362 HydrophobicContact CG1-CE2 3.89Å; I215-F362 HydrophobicContact CG1-CZ 3.8Å; I215-F362 HydrophobicContact CG2-CZ 4.45Å
216L91.5Very high91.7Very high2 Ų234.8 Ų34.81%0.0119%0.191CC..Hα-helixtrans-59.8-50171.6-81.983.6000111.5F10 M13 A212 H213 H218 N219 Y220F10-L216 HydrophobicContact CB-CD2 3.9Å; F10-L216 HydrophobicContact CB-CG 4.47Å; F10-L216 HydrophobicContact CG-CD2 4.16Å; M13-L216 HydrophobicContact CE-CD2 3.59Å; M13-L216 HydrophobicContact SD-CD2 3.92Å; A212-L216 HydrophobicContact CB-CD1 3.57Å; A212-L216 VanDerWaalsContact O-CD1 3.24Å; A212-L216 WeakPolarHBondContact O-CD1 3.42Å; A212-L216 PolarHBondContact O-N 3.04Å; A212-L216 VanDerWaalsContact O-N 3.13Å; H213-L216 PolarHBondContact O-N 2.65Å; L216-H218 PolarHBondContact O-N 2.79Å; L216-N219 PolarHBondContact O-N 2.86Å; L216-Y220 WeakPolarHBondContact O-CB 3.32Å; L216-Y220 PolarHBondContact O-N 3.34Å
217K91.4Very high90.7Very high72 Ų7235.9 Ų35.931%0.31320%0.197SC..Hα-helixtrans-63.1-42.6-179.4177.9164.4170.3154.80112.2D122 H213 N221D122-K217 HydrophobicContact CB-CD 4.37Å; D122-K217 VanDerWaalsContact CG-CE 3.48Å; D122-K217 IonicContact OD1-NZ 2.71Å; D122-K217 PolarHBondContact OD1-NZ 3.16Å; D122-K217 WeakPolarHBondContact OD2-CE 3.35Å; D122-K217 IonicContact OD2-NZ 3.9Å; D122-K217 PolarHBondContact OD2-NZ 2.88Å; H213-K217 WeakPolarHBondContact O-CB 3.49Å; H213-K217 PolarHBondContact O-N 3.33Å; K217-N221 WeakPolarHBondContact O-CB 3.46Å; K217-N221 VanDerWaalsContact O-CG 3.28Å; K217-N221 PolarHBondContact O-N 2.93Å
218H90.4Very high89.2Confident65 Ų6538.2 Ų38.230%0.30121%0.209SC..Hα-helixtrans-62.6-49.7175.9-179.667.5000112.1P214 L216 T222 F362P214-H218 VanDerWaalsContact O-CB 3.24Å; P214-H218 WeakPolarHBondContact O-CB 3.17Å; P214-H218 PolarHBondContact O-N 2.95Å; L216-H218 PolarHBondContact O-N 2.79Å; H218-T222 WeakPolarHBondContact O-CB 3.27Å; H218-T222 PolarHBondContact O-N 3.35Å; H218-T222 PolarHBondContact O-OG1 3.49Å; H218-F362 HydrophobicContact CB-CE1 4.08Å; H218-F362 HydrophobicContact CB-CE2 3.83Å; H218-F362 HydrophobicContact CB-CZ 3.55Å; H218-F362 AromaticContact CD2-CD1 3.99Å; H218-F362 AromaticContact CD2-CE1 3.27Å; H218-F362 WeakPolarHBondContact CD2-CE1 3.21Å; H218-F362 AromaticContact CD2-CZ 3.63Å; H218-F362 AromaticContact CG-CE1 3.67Å; H218-F362 AromaticContact CG-CZ 3.69Å; H218-F362 AromaticContact NE2-CE1 3.86Å
219N92Very high87.6Confident46 Ų4639.8 Ų39.825%0.24622%0.22CC..Hα-helixtrans-66.2-42.4-179.7-67.9-13000111.8P11 I215 L216 T222 C223P11-N219 HydrophobicContact CB-CB 4.05Å; P11-N219 HydrophobicContact CG-CB 4.05Å; P11-N219 VanDerWaalsContact O-CB 3.28Å; P11-N219 WeakPolarHBondContact O-CB 3.33Å; P11-N219 PolarHBondContact O-ND2 2.97Å; I215-N219 VanDerWaalsContact O-CB 3.26Å; I215-N219 WeakPolarHBondContact O-CB 3.36Å; I215-N219 PolarHBondContact O-N 2.74Å; I215-N219 PolarHBondContact O-ND2 3.5Å; L216-N219 PolarHBondContact O-N 2.86Å; N219-T222 WeakPolarHBondContact O-CB 3.5Å; N219-T222 PolarHBondContact O-N 3.15Å; N219-C223 WeakPolarHBondContact O-CB 3.36Å; N219-C223 PolarHBondContact O-N 3.01Å; N219-C223 PolarHBondContact O-SG 2.69Å; N219-C223 VanDerWaalsContact O-SG 3.35Å
220Y91.8Very high86.4Confident11 Ų1141.3 Ų41.34%0.04323%0.231CC..Hα-helixtrans-59.5-50.1176.6179.5-89.2000111F10 C121 L216 T222 C223 F224 H227 S231 A232 C233F10-Y220 HydrophobicContact CD1-CD2 4.23Å; F10-Y220 HydrophobicContact CE1-CD2 4.35Å; C121-Y220 VanDerWaalsContact SG-CB 3.54Å; L216-Y220 WeakPolarHBondContact O-CB 3.32Å; L216-Y220 PolarHBondContact O-N 3.34Å; Y220-T222 PolarHBondContact O-N 3.21Å; Y220-C223 PolarHBondContact O-N 2.8Å; Y220-C223 VanDerWaalsContact O-N 3.15Å; Y220-F224 AromaticContact CD2-CD2 3.52Å; Y220-F224 HydrophobicContact CD2-CD2 3.52Å; Y220-F224 HydrophobicContact CD2-CE2 4.07Å; Y220-F224 HydrophobicContact CD2-CG 4.42Å; Y220-F224 HydrophobicContact CE1-CB 4.33Å; Y220-F224 HydrophobicContact CE2-CB 4.25Å; Y220-F224 AromaticContact CE2-CD2 3.63Å; Y220-F224 HydrophobicContact CE2-CD2 3.63Å; Y220-F224 HydrophobicContact CE2-CE2 4.28Å; Y220-F224 HydrophobicContact CE2-CG 4.15Å; Y220-F224 HydrophobicContact CG-CD2 4.11Å; Y220-F224 WeakPolarHBondContact O-CB 3.33Å; Y220-F224 WeakPolarHBondContact O-CD2 3.46Å; Y220-F224 PolarHBondContact O-N 2.94Å; Y220-H227 WeakPolarHBondContact OH-CB 3.34Å; Y220-S231 WeakPolarHBondContact OH-CA 3.36Å; Y220-A232 HydrophobicContact CE2-CB 3.89Å; Y220-A232 PolarHBondContact OH-N 2.96Å; Y220-C233 HydrophobicContact CD2-CB 4.34Å; Y220-C233 HydrophobicContact CE2-CB 4.2Å
221N89.9Confident86Confident72 Ų7242 Ų4239%0.38524%0.235SC..Hα-helixtrans-64.6-27.6178.6-70.9-9.3000112.9K217K217-N221 WeakPolarHBondContact O-CB 3.46Å; K217-N221 VanDerWaalsContact O-CG 3.28Å; K217-N221 PolarHBondContact O-N 2.93Å
222T90.1Very high85.8Confident95 Ų9542 Ų4258%0.58324%0.235SC*.Hα-helixtrans-74.2-40173.9-56.90000112.1H218 N219 Y220H218-T222 WeakPolarHBondContact O-CB 3.27Å; H218-T222 PolarHBondContact O-N 3.35Å; H218-T222 PolarHBondContact O-OG1 3.49Å; N219-T222 WeakPolarHBondContact O-CB 3.5Å; N219-T222 PolarHBondContact O-N 3.15Å; Y220-T222 PolarHBondContact O-N 3.21Å
223C89.7Confident85.8Confident73 Ų7342 Ų4249%0.49324%0.235SC..Hα-helixtrans-82-29.6-178.9-68.30000113.9P11 N219 Y220 P225P11-C223 HydrophobicContact CG-CB 4.43Å; N219-C223 WeakPolarHBondContact O-CB 3.36Å; N219-C223 PolarHBondContact O-N 3.01Å; N219-C223 PolarHBondContact O-SG 2.69Å; N219-C223 VanDerWaalsContact O-SG 3.35Å; Y220-C223 PolarHBondContact O-N 2.8Å; Y220-C223 VanDerWaalsContact O-N 3.15Å; C223-P225 VanDerWaalsContact C-CD 3.46Å
224F88.9Confident86Confident23 Ų2342.1 Ų42.110%0.10124%0.236CC..  trans-131.646.6-168.3-54.5-73.1000114.2M1 P11 Y220 N226 H227 A232 C233M1-F224 HydrophobicContact CB-CE1 4.26Å; M1-F224 HydrophobicContact SD-CE1 3.85Å; M1-F224 HydrophobicContact SD-CZ 4.2Å; P11-F224 HydrophobicContact CG-CE2 4.11Å; Y220-F224 AromaticContact CD2-CD2 3.52Å; Y220-F224 HydrophobicContact CD2-CD2 3.52Å; Y220-F224 HydrophobicContact CD2-CE2 4.07Å; Y220-F224 HydrophobicContact CD2-CG 4.42Å; Y220-F224 HydrophobicContact CE1-CB 4.33Å; Y220-F224 HydrophobicContact CE2-CB 4.25Å; Y220-F224 AromaticContact CE2-CD2 3.63Å; Y220-F224 HydrophobicContact CE2-CD2 3.63Å; Y220-F224 HydrophobicContact CE2-CE2 4.28Å; Y220-F224 HydrophobicContact CE2-CG 4.15Å; Y220-F224 HydrophobicContact CG-CD2 4.11Å; Y220-F224 WeakPolarHBondContact O-CB 3.33Å; Y220-F224 WeakPolarHBondContact O-CD2 3.46Å; Y220-F224 PolarHBondContact O-N 2.94Å; F224-N226 PolarHBondContact O-N 3.01Å; F224-H227 HydrophobicContact CB-CB 4.12Å; F224-H227 AromaticContact CD1-CD2 3.88Å; F224-H227 AromaticContact CD1-NE2 3.92Å; F224-H227 PolarHBondContact O-N 2.79Å; F224-A232 HydrophobicContact CB-CB 4.28Å; F224-A232 HydrophobicContact CD1-CB 3.54Å; F224-A232 HydrophobicContact CD2-CB 4.13Å; F224-A232 HydrophobicContact CE1-CB 3.79Å; F224-A232 HydrophobicContact CE2-CB 4.35Å; F224-A232 HydrophobicContact CG-CB 3.72Å; F224-A232 HydrophobicContact CZ-CB 4.19Å; F224-C233 WeakPolarHBondContact CE2-SG 3.49Å
225P82.4Confident86.3Confident92 Ų9241.3 Ų41.360%0.59723%0.23SC*.THydrogen-bonded Turntrans-60.4-19.5-173.126.2-36.7000114.7C223C223-P225 VanDerWaalsContact C-CD 3.46Å
226N76.9Confident86.7Confident105 Ų10541.1 Ų41.156%0.56123%0.229SC*.THydrogen-bonded Turntrans-97.5-1.3-179.5-61.9-28.8000113.9R3 F224 I228R3-N226 WeakPolarHBondContact CD-O 3.25Å; R3-N226 HydrophobicContact CG-CB 4.21Å; R3-N226 PolarHBondContact NE-O 3.07Å; F224-N226 PolarHBondContact O-N 3.01Å; N226-I228 VanDerWaalsContact C-N 3.34Å; N226-I228 PolarHBondContact O-N 2.63Å; N226-I228 VanDerWaalsContact O-N 3.09Å
227H77.6Confident87Confident23 Ų2341 Ų4111%0.10623%0.229CC..  trans-85.774.6178.1-78.1-105.1000111K2 R3 Y220 F224 A232K2-H227 PolarHBondContact O-CE1 3.43Å; R3-H227 VanDerWaalsContact CA-CE1 3.45Å; R3-H227 WeakPolarHBondContact CA-CE1 3.42Å; R3-H227 PolarHBondContact O-CE1 2.76Å; R3-H227 PolarHBondContact O-ND1 2.9Å; Y220-H227 WeakPolarHBondContact OH-CB 3.34Å; F224-H227 HydrophobicContact CB-CB 4.12Å; F224-H227 AromaticContact CD1-CD2 3.88Å; F224-H227 AromaticContact CD1-NE2 3.92Å; F224-H227 PolarHBondContact O-N 2.79Å; H227-A232 HydrophobicContact CB-CB 4.41Å; H227-A232 VanDerWaalsContact CE1-CB 3.46Å; H227-A232 WeakPolarHBondContact CE1-CB 3.48Å; H227-A232 WeakPolarHBondContact ND1-CB 3.4Å
228I66.3Low87.3Confident61 Ų6137.6 Ų37.631%0.31321%0.214SC..  trans-82.5-39.9-175.8-60167.7000112.2N226 L317 Q321N226-I228 VanDerWaalsContact C-N 3.34Å; N226-I228 PolarHBondContact O-N 2.63Å; N226-I228 VanDerWaalsContact O-N 3.09Å; I228-L317 HydrophobicContact CD1-CD1 4.47Å; I228-L317 HydrophobicContact CG2-CD1 3.79Å; I228-Q321 HydrophobicContact CG2-CG 4.25Å
229S64Low87.7Confident34 Ų3434.5 Ų34.524%0.23820%0.2CC..SBendtrans-100.9-9.6-168.39.10000114.9R3 E295 T324R3-S229 PolarHBondContact NH2-OG 2.99Å; S229-E295 PolarHBondContact OG-OE2 2.87Å; S229-T324 WeakPolarHBondContact O-CG2 3.36Å
230C71.6Confident88Confident33 Ų3332.5 Ų32.522%0.22319%0.189CC..SBendtrans-158.8141.2176.8-1640000110.6K6 A232K6-C230 WeakPolarHBondContact CE-SG 3.31Å; K6-C230 PolarHBondContact NZ-SG 2.85Å; C230-A232 PolarHBondContact O-N 3.48Å
231S87.1Confident88.3Confident14 Ų1432 Ų3210%0.09819%0.187CC..  trans-61.7124.2174.9-176.40000110.8K6 T119 Y220 C233K6-S231 PolarHBondContact NZ-O 3.27Å; T119-S231 WeakPolarHBondContact O-CB 3.24Å; T119-S231 PolarHBondContact O-OG 3.35Å; Y220-S231 WeakPolarHBondContact OH-CA 3.36Å; S231-C233 PolarHBondContact O-N 2.89Å; S231-C233 PolarHBondContact OG-N 3.41Å; S231-C233 PolarHBondContact OG-O 3.37Å
232A90.8Very high88.8Confident0 Ų028.7 Ų28.70%017%0.169CC..SBendtrans-64.7-24172.700000112.3K6 I7 Y220 F224 H227 C230K6-A232 CarbonylContact C-O 3.46Å; K6-A232 VanDerWaalsContact CA-O 3.24Å; K6-A232 WeakPolarHBondContact CA-O 3.25Å; I7-A232 PolarHBondContact N-O 2.88Å; Y220-A232 HydrophobicContact CE2-CB 3.89Å; Y220-A232 PolarHBondContact OH-N 2.96Å; F224-A232 HydrophobicContact CB-CB 4.28Å; F224-A232 HydrophobicContact CD1-CB 3.54Å; F224-A232 HydrophobicContact CD2-CB 4.13Å; F224-A232 HydrophobicContact CE1-CB 3.79Å; F224-A232 HydrophobicContact CE2-CB 4.35Å; F224-A232 HydrophobicContact CG-CB 3.72Å; F224-A232 HydrophobicContact CZ-CB 4.19Å; H227-A232 HydrophobicContact CB-CB 4.41Å; H227-A232 VanDerWaalsContact CE1-CB 3.46Å; H227-A232 WeakPolarHBondContact CE1-CB 3.48Å; H227-A232 WeakPolarHBondContact ND1-CB 3.4Å; C230-A232 PolarHBondContact O-N 3.48Å
233C94.9Very high89.1Confident0 Ų024.3 Ų24.30%014%0.142CC..BIsolated β-bridgetrans-119.1141.2-173-66.40000110.3I7 H9 F10 T119 Y220 F224 S231I7-C233 WeakPolarHBondContact O-CA 3.4Å; H9-C233 PolarHBondContact O-SG 3.48Å; F10-C233 HydrophobicContact CD1-CB 3.42Å; F10-C233 VanDerWaalsContact CD1-CB 3.42Å; F10-C233 HydrophobicContact CD2-CB 4.04Å; F10-C233 HydrophobicContact CE1-CB 3.42Å; F10-C233 VanDerWaalsContact CE1-CB 3.42Å; F10-C233 HydrophobicContact CE2-CB 4.04Å; F10-C233 HydrophobicContact CG-CB 3.73Å; F10-C233 HydrophobicContact CZ-CB 3.73Å; F10-C233 WeakPolarHBondContact CZ-O 3.41Å; T119-C233 VanDerWaalsContact O-O 3.08Å; Y220-C233 HydrophobicContact CD2-CB 4.34Å; Y220-C233 HydrophobicContact CE2-CB 4.2Å; F224-C233 WeakPolarHBondContact CE2-SG 3.49Å; S231-C233 PolarHBondContact O-N 2.89Å; S231-C233 PolarHBondContact OG-N 3.41Å; S231-C233 PolarHBondContact OG-O 3.37Å
234F96.7Very high89.5Confident23 Ų2321.6 Ų21.610%0.10112%0.123CC..  trans-132.9160.4158.266.1-81.3000106.8K6 I7 N8 H9 L117 V118 T278 I282K6-F234 HydrophobicContact CB-CD1 4.3Å; K6-F234 HydrophobicContact CB-CE1 4.19Å; I7-F234 VanDerWaalsContact O-CD1 3.3Å; I7-F234 WeakPolarHBondContact O-CD1 3.44Å; I7-F234 PolarHBondContact O-N 2.86Å; N8-F234 CarbonylContact C-O 3.55Å; N8-F234 WeakPolarHBondContact CA-O 3.41Å; N8-F234 HydrophobicContact CB-CD2 4.46Å; N8-F234 HydrophobicContact CB-CE1 4.2Å; N8-F234 HydrophobicContact CB-CE2 3.8Å; N8-F234 HydrophobicContact CB-CZ 3.65Å; N8-F234 VanDerWaalsContact O-O 3.11Å; H9-F234 PolarHBondContact N-O 2.83Å; L117-F234 HydrophobicContact CD1-CB 4.35Å; L117-F234 HydrophobicContact CD1-CD2 4.11Å; V118-F234 CarbonylContact O-C 3.56Å; V118-F234 WeakPolarHBondContact O-CA 3.27Å; F234-T278 HydrophobicContact CD2-CG2 3.98Å; F234-T278 HydrophobicContact CE2-CG2 3.96Å; F234-I282 HydrophobicContact CB-CG2 3.75Å; F234-I282 HydrophobicContact CD1-CD1 3.88Å; F234-I282 HydrophobicContact CD1-CG2 4.31Å; F234-I282 HydrophobicContact CD2-CD1 4.27Å; F234-I282 HydrophobicContact CD2-CG2 3.93Å; F234-I282 HydrophobicContact CE1-CD1 3.61Å; F234-I282 HydrophobicContact CE2-CD1 4.01Å; F234-I282 HydrophobicContact CG-CD1 4.2Å; F234-I282 HydrophobicContact CG-CG2 3.74Å; F234-I282 HydrophobicContact CZ-CD1 3.67Å
235E98.1Very high89.8Confident2 Ų225.4 Ų25.41%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-153.2131.5178-170.5159.8-165.400112.4H9 F10 M13 L117 V118 L237H9-E235 IonicContact CE1-OE1 2.89Å; H9-E235 IonicContact CG-OE1 2.73Å; H9-E235 IonicContact ND1-OE1 2.7Å; H9-E235 PolarHBondContact ND1-OE1 3.09Å; F10-E235 HydrophobicContact CD2-CB 3.71Å; F10-E235 HydrophobicContact CE2-CB 4.05Å; F10-E235 PolarHBondContact N-OE2 2.88Å; M13-E235 WeakPolarHBondContact CB-OE2 3.24Å; M13-E235 HydrophobicContact CE-CB 4.28Å; M13-E235 HydrophobicContact CE-CG 4.38Å; M13-E235 WeakPolarHBondContact CE-OE2 3.3Å; M13-E235 WeakPolarHBondContact CG-OE2 3.42Å; L117-E235 WeakPolarHBondContact CA-O 3.42Å; V118-E235 PolarHBondContact N-O 3.27Å; V118-E235 PolarHBondContact O-N 2.95Å; E235-L237 HydrophobicContact CG-CD2 3.8Å; E235-L237 HydrophobicContact CG-CG 4.35Å
236I98.6Very high90.4Very high18 Ų1830.6 Ų30.69%0.09215%0.148CC..EExtended strand (participates in β ladder)trans-94.7111.1174.1-54173.2000108.4Y115 L117 P258 F260 L274 L275 T278Y115-I236 HydrophobicContact CD1-CG2 4.25Å; L117-I236 HydrophobicContact CD1-CG1 4.11Å; I236-P258 HydrophobicContact CG2-CG 4.5Å; I236-P258 WeakPolarHBondContact O-CD 3.37Å; I236-F260 HydrophobicContact CB-CZ 4.26Å; I236-F260 HydrophobicContact CD1-CE1 4.49Å; I236-F260 HydrophobicContact CD1-CZ 4.08Å; I236-F260 HydrophobicContact CG2-CE1 4.44Å; I236-F260 HydrophobicContact CG2-CZ 4.04Å; I236-L274 HydrophobicContact CG2-CD2 4.29Å; I236-L275 HydrophobicContact CD1-CD2 3.83Å; I236-T278 HydrophobicContact CD1-CG2 3.97Å; I236-T278 HydrophobicContact CG1-CG2 4.1Å
237L98.5Very high91.3Very high0 Ų027.1 Ų27.10%013%0.13CC..EExtended strand (participates in β ladder)trans-99.4134.6178.8-58.7176.1000110.7M13 I16 V116 V118 L209 E235 F239 V254 H256M13-L237 HydrophobicContact CE-CD1 3.9Å; M13-L237 HydrophobicContact CE-CD2 4.22Å; M13-L237 HydrophobicContact CE-CG 4.43Å; M13-L237 HydrophobicContact CG-CD2 3.85Å; M13-L237 HydrophobicContact SD-CD1 3.89Å; M13-L237 HydrophobicContact SD-CD2 4.13Å; I16-L237 HydrophobicContact CD1-CD1 4.41Å; V116-L237 HydrophobicContact CB-CB 4.42Å; V116-L237 PolarHBondContact N-O 2.83Å; V116-L237 PolarHBondContact O-N 2.89Å; V118-L237 HydrophobicContact CG2-CD1 4.25Å; L209-L237 HydrophobicContact CD2-CD1 3.88Å; E235-L237 HydrophobicContact CG-CD2 3.8Å; E235-L237 HydrophobicContact CG-CG 4.35Å; L237-F239 HydrophobicContact CB-CD2 4Å; L237-F239 HydrophobicContact CB-CE2 3.8Å; L237-F239 HydrophobicContact CD1-CE2 3.88Å; L237-V254 HydrophobicContact CB-CG1 4.08Å; L237-V254 HydrophobicContact CD1-CG1 4.23Å; L237-V254 HydrophobicContact CD2-CG1 4.36Å; L237-V254 HydrophobicContact CG-CG1 4.47Å; L237-H256 HydrophobicContact CD2-CB 4.49Å
238G98.2Very high92.2Very high0 Ų028.6 Ų28.60%014%0.136CC..EExtended strand (participates in β ladder)trans-91.4105.116700000110.6L114 N255L114-G238 WeakPolarHBondContact O-CA 3.28Å; G238-N255 PolarHBondContact N-O 3.24Å; G238-N255 WeakPolarHBondContact O-CB 3.47Å; G238-N255 PolarHBondContact O-N 3.08Å
239F98.6Very high93.7Very high0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-84.9133173-85-109.9000109.9R113 L114 V116 I205 T208 L209 L237 L251 V254R113-F239 WeakPolarHBondContact CA-O 3.15Å; L114-F239 HydrophobicContact CB-CB 4.17Å; L114-F239 PolarHBondContact N-O 2.9Å; L114-F239 PolarHBondContact O-N 3.04Å; V116-F239 HydrophobicContact CB-CD2 3.81Å; V116-F239 HydrophobicContact CB-CE2 3.86Å; V116-F239 HydrophobicContact CG1-CE2 4.14Å; V116-F239 HydrophobicContact CG2-CD2 3.49Å; V116-F239 VanDerWaalsContact CG2-CD2 3.49Å; V116-F239 HydrophobicContact CG2-CE2 3.88Å; V116-F239 HydrophobicContact CG2-CG 4.13Å; I205-F239 HydrophobicContact CB-CE1 4.33Å; I205-F239 HydrophobicContact CG1-CD1 3.93Å; I205-F239 HydrophobicContact CG1-CE1 4.13Å; I205-F239 HydrophobicContact CG1-CG 4.29Å; I205-F239 HydrophobicContact CG2-CE1 4.26Å; I205-F239 HydrophobicContact CG2-CE2 4.3Å; I205-F239 HydrophobicContact CG2-CZ 4.03Å; T208-F239 HydrophobicContact CG2-CE1 3.95Å; T208-F239 HydrophobicContact CG2-CZ 4.33Å; L209-F239 HydrophobicContact CD1-CZ 4.27Å; L209-F239 HydrophobicContact CG-CZ 4.21Å; L237-F239 HydrophobicContact CB-CD2 4Å; L237-F239 HydrophobicContact CB-CE2 3.8Å; L237-F239 HydrophobicContact CD1-CE2 3.88Å; F239-L251 HydrophobicContact CD1-CD1 3.63Å; F239-L251 HydrophobicContact CE1-CD1 4.14Å; F239-V254 HydrophobicContact CD1-CG2 3.96Å; F239-V254 HydrophobicContact CD2-CG1 3.99Å; F239-V254 HydrophobicContact CE1-CG1 4.49Å; F239-V254 HydrophobicContact CE1-CG2 3.66Å; F239-V254 HydrophobicContact CE2-CG1 3.71Å; F239-V254 HydrophobicContact CE2-CG2 4.37Å; F239-V254 HydrophobicContact CG-CG1 4.49Å; F239-V254 HydrophobicContact CG-CG2 4.42Å; F239-V254 HydrophobicContact CZ-CG1 3.98Å; F239-V254 HydrophobicContact CZ-CG2 3.88Å
240D97.9Very high95.4Very high3 Ų326.1 Ų26.12%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-109.6111.3177.1-68.541000108L112 R113 R135 L252 E253 N255L112-D240 WeakPolarHBondContact O-CA 3.44Å; R113-D240 IonicContact CZ-OD1 3.94Å; R113-D240 IonicContact CZ-OD2 2.86Å; R113-D240 IonicContact NE-OD1 3.75Å; R113-D240 PolarHBondContact NE-OD1 2.98Å; R113-D240 IonicContact NE-OD2 3.84Å; R113-D240 IonicContact NH2-OD1 2.75Å; R113-D240 PolarHBondContact NH2-OD1 3.49Å; R113-D240 IonicContact NH2-OD2 3.92Å; R113-D240 PolarHBondContact NH2-OD2 3.3Å; R135-D240 IonicContact CZ-OD2 3.79Å; R135-D240 IonicContact NH1-OD2 3.08Å; R135-D240 PolarHBondContact NH1-OD2 2.81Å; R135-D240 IonicContact NH2-OD2 3.8Å; R135-D240 PolarHBondContact NH2-OD2 2.8Å; D240-L252 HydrophobicContact CB-CB 4.28Å; D240-L252 WeakPolarHBondContact O-CB 3.35Å; D240-L252 PolarHBondContact O-N 2.98Å; D240-E253 HydrophobicContact CB-CG 3.78Å; D240-E253 PolarHBondContact N-O 3.36Å; D240-N255 PolarHBondContact OD1-ND2 2.99Å
241V98.5Very high96.7Very high1 Ų124.6 Ų24.61%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-122.1135.2-173.6176.90000110.4L112 L114 I201 P249 W250 L251L112-V241 HydrophobicContact CB-CB 4.4Å; L112-V241 PolarHBondContact N-O 3.36Å; L112-V241 PolarHBondContact O-N 2.82Å; L114-V241 HydrophobicContact CD1-CB 4.38Å; L114-V241 HydrophobicContact CD1-CG2 3.87Å; I201-V241 HydrophobicContact CG1-CG1 4.42Å; V241-P249 HydrophobicContact CG1-CB 3.67Å; V241-W250 WeakPolarHBondContact CA-O 3.29Å; V241-L251 HydrophobicContact CG2-CD1 4.49Å
242L98.5Very high97.1Very high3 Ų325.4 Ų25.42%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-112130.7174.9-178.160.4000110.2I99 P102 F110 D111 P249 W250 L252I99-L242 HydrophobicContact CB-CD2 4.01Å; I99-L242 HydrophobicContact CD1-CD2 3.88Å; I99-L242 HydrophobicContact CD1-CG 4.46Å; I99-L242 HydrophobicContact CG2-CD2 4.2Å; P102-L242 HydrophobicContact CB-CD1 4.03Å; P102-L242 HydrophobicContact CB-CD2 4.41Å; P102-L242 HydrophobicContact CB-CG 4.42Å; F110-L242 WeakPolarHBondContact O-CD1 3.45Å; D111-L242 HydrophobicContact CB-CD1 4.48Å; L242-P249 CarbonylContact O-C 3.54Å; L242-W250 PolarHBondContact N-O 3.13Å; L242-W250 PolarHBondContact O-N 2.96Å; L242-L252 HydrophobicContact CB-CD1 3.98Å; L242-L252 HydrophobicContact CB-CD2 3.92Å; L242-L252 HydrophobicContact CB-CG 3.98Å; L242-L252 HydrophobicContact CD2-CD2 4.35Å
243L98.1Very high97.3Very high2 Ų226.6 Ų26.61%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-83137.3169.6-58.2176.9000109.4P102 F103 F110 L112 M197 I201 L247 P249P102-L243 CarbonylContact C-O 3.48Å; P102-L243 WeakPolarHBondContact CA-O 3.3Å; F103-L243 HydrophobicContact CB-CB 3.83Å; F103-L243 PolarHBondContact N-O 3.39Å; F110-L243 HydrophobicContact CE2-CD1 4.36Å; F110-L243 HydrophobicContact CZ-CD1 4.27Å; L112-L243 HydrophobicContact CD1-CD1 4.36Å; L112-L243 HydrophobicContact CD1-CD2 4.43Å; L112-L243 HydrophobicContact CD1-CG 4.27Å; M197-L243 HydrophobicContact CG-CD1 4.49Å; M197-L243 HydrophobicContact CG-CD2 3.85Å; M197-L243 HydrophobicContact SD-CD1 3.49Å; M197-L243 WeakPolarHBondContact SD-CD1 3.32Å; M197-L243 HydrophobicContact SD-CD2 3.94Å; M197-L243 HydrophobicContact SD-CG 4.38Å; I201-L243 HydrophobicContact CD1-CD2 4.48Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; L243-P249 HydrophobicContact CD2-CB 3.98Å
244D97Very high97.4Very high16 Ų1626.7 Ų26.79%0.08612%0.116CC..BIsolated β-bridgetrans-87169.4165.57624.4000112.3I99 K101 R246 L247 K248 W250I99-D244 HydrophobicContact CG2-CB 4.24Å; K101-D244 WeakPolarHBondContact O-CA 3.24Å; D244-R246 PolarHBondContact O-N 3.25Å; D244-R246 WeakPolarHBondContact OD1-CA 3.08Å; D244-R246 WeakPolarHBondContact OD1-CB 3.39Å; D244-R246 PolarHBondContact OD1-N 2.88Å; D244-L247 WeakPolarHBondContact O-CA 3.44Å; D244-L247 PolarHBondContact O-N 3.01Å; D244-K248 PolarHBondContact N-O 3.23Å; D244-K248 WeakPolarHBondContact OD1-CB 3.27Å; D244-K248 PolarHBondContact OD1-N 2.84Å; D244-W250 PolarHBondContact OD2-NE1 3.24Å
245H95.8Very high97.4Very high104 Ų10427.1 Ų27.148%0.48112%0.12SC..THydrogen-bonded Turntrans-54.8-817867.4-68.4000115.6K101K101-H245 HydrophobicContact CB-CB 4.29Å; K101-H245 VanDerWaalsContact CB-ND1 3.3Å; K101-H245 WeakPolarHBondContact CB-ND1 3.41Å; K101-H245 PolarHBondContact O-N 3.38Å; K101-H245 PolarHBondContact O-ND1 2.91Å; K101-H245 VanDerWaalsContact O-ND1 3.07Å
246R95.4Very high97.1Very high201 Ų20131.6 Ų31.676%0.75814%0.14SC*.THydrogen-bonded Turntrans-107.415.6174-56178.261-152.7-3.7112.4D244 K248D244-R246 PolarHBondContact O-N 3.25Å; D244-R246 WeakPolarHBondContact OD1-CA 3.08Å; D244-R246 WeakPolarHBondContact OD1-CB 3.39Å; D244-R246 PolarHBondContact OD1-N 2.88Å; R246-K248 PolarHBondContact O-N 3.43Å; R246-K248 VanDerWaalsContact O-N 3.16Å
247L95.4Very high96.9Very high32 Ų3234.8 Ų34.817%0.16816%0.164CC..SBendtrans57.617.8-172.2-62.5168.6000114.3F103 L187 C192 M197 L243 D244 P249F103-L247 HydrophobicContact CD1-CD2 4.2Å; F103-L247 HydrophobicContact CD2-CD2 3.57Å; F103-L247 HydrophobicContact CD2-CG 4.17Å; F103-L247 HydrophobicContact CE1-CD2 4.26Å; F103-L247 HydrophobicContact CE2-CD2 3.63Å; F103-L247 HydrophobicContact CE2-CG 4.14Å; F103-L247 HydrophobicContact CG-CD2 3.87Å; F103-L247 HydrophobicContact CZ-CD2 3.99Å; L187-L247 HydrophobicContact CD2-CD2 4.39Å; C192-L247 HydrophobicContact CB-CD1 3.63Å; M197-L247 HydrophobicContact SD-CD2 4.48Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; D244-L247 WeakPolarHBondContact O-CA 3.44Å; D244-L247 PolarHBondContact O-N 3.01Å; L247-P249 WeakPolarHBondContact O-CD 3.3Å
248K96.8Very high96.6Very high54 Ų5435 Ų3524%0.23517%0.166CC..  trans-75.7125.1173.2-174.9-161.7166.7-165.60108.6N38 D244 R246 W250N38-K248 VanDerWaalsContact O-CE 3.31Å; N38-K248 WeakPolarHBondContact O-CE 3.44Å; N38-K248 PolarHBondContact O-NZ 3.36Å; D244-K248 PolarHBondContact N-O 3.23Å; D244-K248 WeakPolarHBondContact OD1-CB 3.27Å; D244-K248 PolarHBondContact OD1-N 2.84Å; R246-K248 PolarHBondContact O-N 3.43Å; R246-K248 VanDerWaalsContact O-N 3.16Å; K248-W250 HydrophobicContact CD-CZ2 3.95Å
249P98.1Very high96.3Very high3 Ų338.2 Ų38.22%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-75.1149.5174.131.5-34.7000111.8D200 I201 I204 V241 L242 L243 L247D200-P249 HydrophobicContact CB-CG 3.53Å; I201-P249 HydrophobicContact CG1-CB 3.65Å; I201-P249 HydrophobicContact CG1-CG 3.91Å; I204-P249 HydrophobicContact CD1-CB 3.83Å; I204-P249 HydrophobicContact CD1-CG 3.75Å; I204-P249 VanDerWaalsContact CD1-O 3.32Å; I204-P249 WeakPolarHBondContact CD1-O 3.3Å; V241-P249 HydrophobicContact CG1-CB 3.67Å; L242-P249 CarbonylContact O-C 3.54Å; L243-P249 HydrophobicContact CD2-CB 3.98Å; L247-P249 WeakPolarHBondContact O-CD 3.3Å
250W98.6Very high96.1Very high40 Ų4041.8 Ų41.815%0.15220%0.204CC..EExtended strand (participates in β ladder)trans-136.3128.3175.8-66.890.1000109.6P41 I99 V241 L242 D244 K248P41-W250 HydrophobicContact CG-CE3 4.14Å; I99-W250 HydrophobicContact CD1-CB 3.54Å; I99-W250 HydrophobicContact CD1-CD2 4.13Å; I99-W250 HydrophobicContact CD1-CG 3.56Å; V241-W250 WeakPolarHBondContact CA-O 3.29Å; L242-W250 PolarHBondContact N-O 3.13Å; L242-W250 PolarHBondContact O-N 2.96Å; D244-W250 PolarHBondContact OD2-NE1 3.24Å; K248-W250 HydrophobicContact CD-CZ2 3.95Å
251L98.6Very high95.8Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-69.3133.4173.3-176.372.7000110.6L22 L26 I39 F40 P41 I204 T208 F239 V241 V254L22-L251 HydrophobicContact CD1-CD2 4.05Å; L22-L251 HydrophobicContact CD2-CD2 4.17Å; L26-L251 HydrophobicContact CD1-CD2 3.65Å; I39-L251 PolarHBondContact O-N 2.87Å; F40-L251 HydrophobicContact CD2-CB 4.16Å; F40-L251 HydrophobicContact CD2-CD2 4.24Å; F40-L251 HydrophobicContact CD2-CG 4.36Å; F40-L251 VanDerWaalsContact CD2-O 3.3Å; F40-L251 WeakPolarHBondContact CD2-O 3.29Å; P41-L251 WeakPolarHBondContact CD-O 3.5Å; I204-L251 HydrophobicContact CG2-CB 3.95Å; I204-L251 HydrophobicContact CG2-CD1 4.46Å; T208-L251 HydrophobicContact CG2-CD2 3.77Å; F239-L251 HydrophobicContact CD1-CD1 3.63Å; F239-L251 HydrophobicContact CE1-CD1 4.14Å; V241-L251 HydrophobicContact CG2-CD1 4.49Å; L251-V254 HydrophobicContact CD1-CG2 4.17Å; L251-V254 HydrophobicContact CD2-CG2 4.34Å
252L96.5Very high95.5Very high31 Ų3148.6 Ų48.616%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-102.2-48.7173.6-59.7-172000112.8I99 D240 L242I99-L252 HydrophobicContact CD1-CD2 4.45Å; D240-L252 HydrophobicContact CB-CB 4.28Å; D240-L252 WeakPolarHBondContact O-CB 3.35Å; D240-L252 PolarHBondContact O-N 2.98Å; L242-L252 HydrophobicContact CB-CD1 3.98Å; L242-L252 HydrophobicContact CB-CD2 3.92Å; L242-L252 HydrophobicContact CB-CG 3.98Å; L242-L252 HydrophobicContact CD2-CD2 4.35Å
253E95.1Very high95.1Very high26 Ų2652.1 Ų52.112%0.12126%0.264CS..EExtended strand (participates in β ladder)trans-162.9165.3176.957.4175.4-145.200111.4K19 D240 N255K19-E253 WeakPolarHBondContact CE-OE2 3.41Å; K19-E253 IonicContact NZ-OE2 3.86Å; K19-E253 PolarHBondContact NZ-OE2 2.65Å; D240-E253 HydrophobicContact CB-CG 3.78Å; D240-E253 PolarHBondContact N-O 3.36Å; E253-N255 PolarHBondContact OE1-ND2 3.26Å; E253-N255 PolarHBondContact OE1-OD1 3.1Å
254V97.3Very high94.6Very high2 Ų253.8 Ų53.81%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-119.6132.5168.8-1720000108.3I16 C17 T208 L237 F239 L251I16-V254 HydrophobicContact CD1-CG1 4.38Å; C17-V254 WeakPolarHBondContact CA-O 3.42Å; T208-V254 HydrophobicContact CG2-CG2 3.98Å; L237-V254 HydrophobicContact CB-CG1 4.08Å; L237-V254 HydrophobicContact CD1-CG1 4.23Å; L237-V254 HydrophobicContact CD2-CG1 4.36Å; L237-V254 HydrophobicContact CG-CG1 4.47Å; F239-V254 HydrophobicContact CD1-CG2 3.96Å; F239-V254 HydrophobicContact CD2-CG1 3.99Å; F239-V254 HydrophobicContact CE1-CG1 4.49Å; F239-V254 HydrophobicContact CE1-CG2 3.66Å; F239-V254 HydrophobicContact CE2-CG1 3.71Å; F239-V254 HydrophobicContact CE2-CG2 4.37Å; F239-V254 HydrophobicContact CG-CG1 4.49Å; F239-V254 HydrophobicContact CG-CG2 4.42Å; F239-V254 HydrophobicContact CZ-CG1 3.98Å; F239-V254 HydrophobicContact CZ-CG2 3.88Å; L251-V254 HydrophobicContact CD1-CG2 4.17Å; L251-V254 HydrophobicContact CD2-CG2 4.34Å
255N95.3Very high94.3Very high31 Ų3157.7 Ų57.717%0.16630%0.303CS..EExtended strand (participates in β ladder)trans-110111.8-177.9-75.2-74.3000110.2R113 G238 D240 E253 S257R113-N255 PolarHBondContact NH2-ND2 3.33Å; G238-N255 PolarHBondContact N-O 3.24Å; G238-N255 WeakPolarHBondContact O-CB 3.47Å; G238-N255 PolarHBondContact O-N 3.08Å; D240-N255 PolarHBondContact OD1-ND2 2.99Å; E253-N255 PolarHBondContact OE1-ND2 3.26Å; E253-N255 PolarHBondContact OE1-OD1 3.1Å; N255-S257 PolarHBondContact O-N 3.41Å
256H93.3Very high94Very high96 Ų9653.2 Ų53.244%0.44428%0.282SS..SBendtrans-68.8-19.7174.566.2-81.3000113.6H9 C17 L237H9-H256 PolarHBondContact CE1-O 3.25Å; H9-H256 VanDerWaalsContact CE1-O 3.31Å; C17-H256 HydrophobicContact CB-CB 3.81Å; L237-H256 HydrophobicContact CD2-CB 4.49Å
257S92.7Very high93.9Very high85 Ų8543.8 Ų43.859%0.59425%0.247SC*.SBendtrans-131.276.5177-166.20000109.3N255N255-S257 PolarHBondContact O-N 3.41Å
258P93.9Very high93.9Very high5 Ų549.7 Ų49.73%0.03227%0.267CS..  trans-66.8147174.429.1-33000110.5Y115 I236 F260Y115-P258 HydrophobicContact CE1-CB 4.07Å; Y115-P258 HydrophobicContact CE1-CG 4.34Å; I236-P258 HydrophobicContact CG2-CG 4.5Å; I236-P258 WeakPolarHBondContact O-CD 3.37Å; P258-F260 HydrophobicContact CG-CE1 4.39Å; P258-F260 HydrophobicContact CG-CE2 4.09Å; P258-F260 HydrophobicContact CG-CZ 3.75Å; P258-F260 WeakPolarHBondContact O-CD2 3.19Å; P258-F260 WeakPolarHBondContact O-CE2 3.24Å; P258-F260 PolarHBondContact O-N 3.12Å
259S91.6Very high93.8Very high67 Ų6752.5 Ų52.547%0.46928%0.281SS..  trans-72.1115.6179.3168.70000111.6T261 K271S259-T261 VanDerWaalsContact C-N 3.29Å; S259-T261 WeakPolarHBondContact OG-CB 3.33Å; S259-T261 PolarHBondContact OG-N 2.99Å; S259-T261 PolarHBondContact OG-OG1 2.77Å; S259-T261 VanDerWaalsContact OG-OG1 3.09Å; S259-K271 PolarHBondContact O-NZ 3.44Å
260F94.1Very high93.7Very high75 Ų7552.5 Ų52.533%0.32928%0.281SS..  trans-8711.2171.5-61.3-68.7000113.6I236 P258 L274 L275I236-F260 HydrophobicContact CB-CZ 4.26Å; I236-F260 HydrophobicContact CD1-CE1 4.49Å; I236-F260 HydrophobicContact CD1-CZ 4.08Å; I236-F260 HydrophobicContact CG2-CE1 4.44Å; I236-F260 HydrophobicContact CG2-CZ 4.04Å; P258-F260 HydrophobicContact CG-CE1 4.39Å; P258-F260 HydrophobicContact CG-CE2 4.09Å; P258-F260 HydrophobicContact CG-CZ 3.75Å; P258-F260 WeakPolarHBondContact O-CD2 3.19Å; P258-F260 WeakPolarHBondContact O-CE2 3.24Å; P258-F260 PolarHBondContact O-N 3.12Å; F260-L274 HydrophobicContact CE1-CD2 3.94Å; F260-L275 HydrophobicContact CD1-CD1 4.17Å; F260-L275 HydrophobicContact CD1-CD2 4.11Å; F260-L275 HydrophobicContact CD1-CG 4.25Å; F260-L275 HydrophobicContact CE1-CD2 3.89Å; F260-L275 HydrophobicContact CE1-CG 4.36Å; F260-L275 HydrophobicContact CG-CD1 4.44Å; F260-L275 HydrophobicContact CZ-CD2 4.16Å
261T92.5Very high93.6Very high81 Ų8151 Ų5150%0.49728%0.275SS..  trans-68.4134.6178.9-450000111.1S259 D263 K271S259-T261 VanDerWaalsContact C-N 3.29Å; S259-T261 WeakPolarHBondContact OG-CB 3.33Å; S259-T261 PolarHBondContact OG-N 2.99Å; S259-T261 PolarHBondContact OG-OG1 2.77Å; S259-T261 VanDerWaalsContact OG-OG1 3.09Å; T261-D263 VanDerWaalsContact CG2-OD1 3.3Å; T261-D263 WeakPolarHBondContact CG2-OD1 3.43Å; T261-K271 PolarHBondContact O-NZ 3.26Å
262T92.1Very high93.6Very high66 Ų6654.3 Ų54.341%0.40529%0.293SS..  trans-109.462.4-170.944.60000112.5S264 D267 R268 K271T262-S264 PolarHBondContact O-N 3.44Å; T262-S264 VanDerWaalsContact O-N 3.14Å; T262-D267 HydrophobicContact CG2-CB 4.5Å; T262-R268 HydrophobicContact CG2-CB 4.02Å; T262-R268 HydrophobicContact CG2-CG 4.35Å; T262-K271 HydrophobicContact CG2-CB 4.46Å; T262-K271 HydrophobicContact CG2-CD 4.23Å
263D88.2Confident93.6Very high77 Ų7754.7 Ų54.741%0.41230%0.301SS..SBendtrans-65-12-179.7-68.7-1.1000114.4Y159 T261Y159-D263 WeakPolarHBondContact CE1-OD2 3.39Å; Y159-D263 VanDerWaalsContact CZ-OD2 3.29Å; Y159-D263 WeakPolarHBondContact OH-CB 3.36Å; Y159-D263 PolarHBondContact OH-OD2 2.95Å; T261-D263 VanDerWaalsContact CG2-OD1 3.3Å; T261-D263 WeakPolarHBondContact CG2-OD1 3.43Å
264S88.1Confident93.7Very high37 Ų3753.4 Ų53.426%0.25930%0.295SS..SBendtrans-146159.4-18071.70000111.9T262 L266 D267 R268T262-S264 PolarHBondContact O-N 3.44Å; T262-S264 VanDerWaalsContact O-N 3.14Å; S264-L266 PolarHBondContact O-N 2.92Å; S264-D267 PolarHBondContact N-OD2 3.43Å; S264-D267 PolarHBondContact O-N 3.25Å; S264-D267 VanDerWaalsContact O-N 3.12Å; S264-D267 PolarHBondContact OG-N 2.95Å; S264-D267 VanDerWaalsContact OG-N 3.16Å; S264-D267 PolarHBondContact OG-OD2 3.06Å; S264-R268 PolarHBondContact O-N 3.26Å
265P90.4Very high93.7Very high99 Ų9956.4 Ų56.464%0.64331%0.31SS*.Hα-helixtrans-54.7-40.3173.7-25.835.4000112.7R268 E269P265-R268 WeakPolarHBondContact O-CB 3.21Å; P265-R268 PolarHBondContact O-N 3.34Å; P265-R268 VanDerWaalsContact O-N 3.1Å; P265-E269 PolarHBondContact O-N 3.22Å
266L91.3Very high93.8Very high9 Ų960.2 Ų60.25%0.04733%0.33CS..Hα-helixtrans-60.1-45.3175.3-173.7161.2000112.4L133 K177 K179 S264 R268 V270L133-L266 HydrophobicContact CD2-CD2 3.32Å; K177-L266 HydrophobicContact CD-CD2 4.1Å; K177-L266 HydrophobicContact CG-CD2 4.21Å; K179-L266 HydrophobicContact CG-CD1 4.07Å; K179-L266 HydrophobicContact CG-CD2 4.19Å; K179-L266 HydrophobicContact CG-CG 3.85Å; S264-L266 PolarHBondContact O-N 2.92Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.38Å; L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 3.45Å
267D92.9Very high94Very high4 Ų457.2 Ų57.22%0.02132%0.317CS..Hα-helixtrans-60.4-40.4173.9-70.8-84.6000111K177 T262 S264 K271K177-D267 IonicContact NZ-OD1 2.61Å; K177-D267 PolarHBondContact NZ-OD1 3.31Å; K177-D267 IonicContact NZ-OD2 2.91Å; K177-D267 PolarHBondContact NZ-OD2 2.96Å; T262-D267 HydrophobicContact CG2-CB 4.5Å; S264-D267 PolarHBondContact N-OD2 3.43Å; S264-D267 PolarHBondContact O-N 3.25Å; S264-D267 VanDerWaalsContact O-N 3.12Å; S264-D267 PolarHBondContact OG-N 2.95Å; S264-D267 VanDerWaalsContact OG-N 3.16Å; S264-D267 PolarHBondContact OG-OD2 3.06Å; D267-K271 HydrophobicContact CB-CD 4.2Å; D267-K271 WeakPolarHBondContact O-CB 3.2Å; D267-K271 WeakPolarHBondContact O-CD 3.45Å; D267-K271 WeakPolarHBondContact O-CG 3.49Å; D267-K271 PolarHBondContact O-N 3.28Å; D267-K271 WeakPolarHBondContact OD1-CE 3.33Å; D267-K271 IonicContact OD1-NZ 3.89Å; D267-K271 PolarHBondContact OD1-NZ 3.05Å
268R94.8Very high94.3Very high156 Ų15653.3 Ų53.359%0.58929%0.29SS*.Hα-helixtrans-65.4-51.4-178.4-172.8179.1177.6-176.2-2.1111.8T262 S264 P265 L266 V270 K271 D272T262-R268 HydrophobicContact CG2-CB 4.02Å; T262-R268 HydrophobicContact CG2-CG 4.35Å; S264-R268 PolarHBondContact O-N 3.26Å; P265-R268 WeakPolarHBondContact O-CB 3.21Å; P265-R268 PolarHBondContact O-N 3.34Å; P265-R268 VanDerWaalsContact O-N 3.1Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.38Å; R268-V270 VanDerWaalsContact C-N 3.34Å; R268-V270 PolarHBondContact O-N 2.66Å; R268-K271 PolarHBondContact O-N 3.23Å; R268-D272 WeakPolarHBondContact CG-OD2 3.49Å; R268-D272 IonicContact CZ-OD2 3.82Å; R268-D272 IonicContact NE-OD2 2.9Å; R268-D272 PolarHBondContact NE-OD2 3Å; R268-D272 IonicContact NH2-OD2 3.84Å; R268-D272 VanDerWaalsContact O-CB 3.24Å; R268-D272 WeakPolarHBondContact O-CB 3.35Å; R268-D272 VanDerWaalsContact O-CG 3.3Å; R268-D272 PolarHBondContact O-N 2.83Å
269E94.6Very high94.4Very high112 Ų11257.3 Ų57.352%0.52331%0.311SS..Hα-helixtrans-57.2-46.7-179.4-169.5-169.9133.300111.9K179 P265 A273K179-E269 WeakPolarHBondContact CE-OE1 3.32Å; K179-E269 WeakPolarHBondContact CE-OE2 3.35Å; K179-E269 IonicContact NZ-OE1 2.68Å; K179-E269 PolarHBondContact NZ-OE1 2.9Å; K179-E269 IonicContact NZ-OE2 2.68Å; K179-E269 PolarHBondContact NZ-OE2 3.43Å; P265-E269 PolarHBondContact O-N 3.22Å; E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.47Å; E269-A273 PolarHBondContact O-N 3.08Å
270V96Very high94.6Very high4 Ų456.8 Ų56.82%0.02430%0.304CS..Hα-helixtrans-66.3-40.8179172.80000111.8Y115 E131 L133 K179 L266 R268 L274Y115-V270 HydrophobicContact CD2-CG1 4.49Å; Y115-V270 HydrophobicContact CE2-CG1 4.02Å; E131-V270 HydrophobicContact CB-CG1 4.32Å; E131-V270 HydrophobicContact CB-CG2 4.48Å; E131-V270 HydrophobicContact CG-CG2 4.39Å; L133-V270 HydrophobicContact CD2-CG2 4.36Å; K179-V270 HydrophobicContact CG-CG2 4.24Å; L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 3.45Å; R268-V270 VanDerWaalsContact C-N 3.34Å; R268-V270 PolarHBondContact O-N 2.66Å; V270-L274 WeakPolarHBondContact O-CB 3.46Å; V270-L274 PolarHBondContact O-N 2.89Å; V270-L274 VanDerWaalsContact O-N 3.17Å
271K97Very high94.6Very high7 Ų753.4 Ų53.43%0.0329%0.29CS..Hα-helixtrans-87-37.7-170.9-65.2166.7-166.6-175.20113.4S259 T261 T262 D267 R268 A273 L274 L275S259-K271 PolarHBondContact O-NZ 3.44Å; T261-K271 PolarHBondContact O-NZ 3.26Å; T262-K271 HydrophobicContact CG2-CB 4.46Å; T262-K271 HydrophobicContact CG2-CD 4.23Å; D267-K271 HydrophobicContact CB-CD 4.2Å; D267-K271 WeakPolarHBondContact O-CB 3.2Å; D267-K271 WeakPolarHBondContact O-CD 3.45Å; D267-K271 WeakPolarHBondContact O-CG 3.49Å; D267-K271 PolarHBondContact O-N 3.28Å; D267-K271 WeakPolarHBondContact OD1-CE 3.33Å; D267-K271 IonicContact OD1-NZ 3.89Å; D267-K271 PolarHBondContact OD1-NZ 3.05Å; R268-K271 PolarHBondContact O-N 3.23Å; K271-A273 VanDerWaalsContact C-N 3.35Å; K271-L274 PolarHBondContact O-N 2.79Å; K271-L275 WeakPolarHBondContact O-CB 3.17Å; K271-L275 VanDerWaalsContact O-CG 3.27Å; K271-L275 WeakPolarHBondContact O-CG 3.47Å; K271-L275 PolarHBondContact O-N 3.45Å
272D97.1Very high94.6Very high71 Ų7149.9 Ų49.938%0.3827%0.268SS..Hα-helixtrans-63.3-45.4175.9-69.78.9000109R268 L275 L276R268-D272 WeakPolarHBondContact CG-OD2 3.49Å; R268-D272 IonicContact CZ-OD2 3.82Å; R268-D272 IonicContact NE-OD2 2.9Å; R268-D272 PolarHBondContact NE-OD2 3Å; R268-D272 IonicContact NH2-OD2 3.84Å; R268-D272 VanDerWaalsContact O-CB 3.24Å; R268-D272 WeakPolarHBondContact O-CB 3.35Å; R268-D272 VanDerWaalsContact O-CG 3.3Å; R268-D272 PolarHBondContact O-N 2.83Å; D272-L275 PolarHBondContact O-N 3.11Å; D272-L276 WeakPolarHBondContact O-CB 3.44Å; D272-L276 PolarHBondContact O-N 2.89Å
273A97.1Very high94.6Very high38 Ų3848.5 Ų48.531%0.31426%0.258SS..Hα-helixtrans-62.6-4817500000112.5F129 E269 K271 L275 L276 D277F129-A273 HydrophobicContact CZ-CB 4.14Å; E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.47Å; E269-A273 PolarHBondContact O-N 3.08Å; K271-A273 VanDerWaalsContact C-N 3.35Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.06Å; A273-L276 PolarHBondContact O-N 3.47Å; A273-D277 WeakPolarHBondContact O-CB 3.39Å; A273-D277 PolarHBondContact O-N 3.45Å
274L98.1Very high94.6Very high0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-54.9-44.7176.5170.469.2000112.6Y115 F129 I236 F260 V270 K271 T278 F339Y115-L274 HydrophobicContact CD1-CD2 3.36Å; Y115-L274 HydrophobicContact CD2-CD2 3.84Å; Y115-L274 HydrophobicContact CE1-CD2 3.71Å; Y115-L274 HydrophobicContact CE2-CD2 4.18Å; Y115-L274 HydrophobicContact CG-CD1 4.25Å; Y115-L274 HydrophobicContact CG-CD2 3.41Å; Y115-L274 VanDerWaalsContact CG-CD2 3.41Å; Y115-L274 HydrophobicContact CG-CG 4.47Å; F129-L274 HydrophobicContact CB-CD1 3.89Å; F129-L274 HydrophobicContact CD1-CB 4.14Å; F129-L274 HydrophobicContact CD1-CD1 3.92Å; F129-L274 HydrophobicContact CD2-CD1 3.86Å; F129-L274 HydrophobicContact CE1-CB 3.85Å; F129-L274 HydrophobicContact CE1-CD1 4.41Å; F129-L274 HydrophobicContact CE2-CB 4.41Å; F129-L274 HydrophobicContact CE2-CD1 4.36Å; F129-L274 HydrophobicContact CG-CD1 3.63Å; F129-L274 HydrophobicContact CZ-CB 4.01Å; I236-L274 HydrophobicContact CG2-CD2 4.29Å; F260-L274 HydrophobicContact CE1-CD2 3.94Å; V270-L274 WeakPolarHBondContact O-CB 3.46Å; V270-L274 PolarHBondContact O-N 2.89Å; V270-L274 VanDerWaalsContact O-N 3.17Å; K271-L274 PolarHBondContact O-N 2.79Å; L274-T278 WeakPolarHBondContact O-CB 3.47Å; L274-T278 PolarHBondContact O-N 3.08Å; L274-T278 PolarHBondContact O-OG1 3.32Å; L274-F339 HydrophobicContact CD1-CE1 4.14Å; L274-F339 HydrophobicContact CD1-CZ 3.66Å
275L97.8Very high94.4Very high65 Ų6549.9 Ų49.934%0.3428%0.275SS..Hα-helixtrans-71.9-42.9-178.8-70.8172.2000111.4I236 F260 K271 D272 A273 T278 L279I236-L275 HydrophobicContact CD1-CD2 3.83Å; F260-L275 HydrophobicContact CD1-CD1 4.17Å; F260-L275 HydrophobicContact CD1-CD2 4.11Å; F260-L275 HydrophobicContact CD1-CG 4.25Å; F260-L275 HydrophobicContact CE1-CD2 3.89Å; F260-L275 HydrophobicContact CE1-CG 4.36Å; F260-L275 HydrophobicContact CG-CD1 4.44Å; F260-L275 HydrophobicContact CZ-CD2 4.16Å; K271-L275 WeakPolarHBondContact O-CB 3.17Å; K271-L275 VanDerWaalsContact O-CG 3.27Å; K271-L275 WeakPolarHBondContact O-CG 3.47Å; K271-L275 PolarHBondContact O-N 3.45Å; D272-L275 PolarHBondContact O-N 3.11Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.06Å; L275-T278 PolarHBondContact O-N 2.68Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.49Å
276L96.9Very high93.9Very high110 Ų11047.7 Ų47.758%0.57627%0.265SS*.Hα-helixtrans-60.7-53.3176.5-17963.2000111.3D272 A273 T278 L279 V280D272-L276 WeakPolarHBondContact O-CB 3.44Å; D272-L276 PolarHBondContact O-N 2.89Å; A273-L276 PolarHBondContact O-N 3.47Å; L276-T278 PolarHBondContact O-N 3.13Å; L276-L279 PolarHBondContact O-N 3.1Å; L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 2.82Å
277D97.7Very high93.4Very high34 Ų3448 Ų4818%0.18227%0.268CS..Hα-helixtrans-61.4-33.9178.9-73.5-11000111.6F129 A273 L281 G338 F339F129-D277 HydrophobicContact CE2-CB 4.21Å; F129-D277 WeakPolarHBondContact CE2-OD2 3.44Å; A273-D277 WeakPolarHBondContact O-CB 3.39Å; A273-D277 PolarHBondContact O-N 3.45Å; D277-L281 WeakPolarHBondContact O-CB 3.12Å; D277-L281 PolarHBondContact O-N 3.13Å; D277-G338 WeakPolarHBondContact OD2-CA 3.49Å; D277-G338 PolarHBondContact OD2-N 3.4Å; D277-F339 HydrophobicContact CB-CD2 3.97Å; D277-F339 HydrophobicContact CB-CE2 3.78Å
278T97.5Very high93Very high2 Ų250.5 Ų50.51%0.01228%0.281CS..Hα-helixtrans-62.9-47.3173.4-620000111.1L117 F234 I236 L274 L275 L276 V280 L281 I282 F339L117-T278 HydrophobicContact CD1-CG2 3.73Å; L117-T278 HydrophobicContact CD2-CG2 3.95Å; L117-T278 HydrophobicContact CG-CG2 4.49Å; F234-T278 HydrophobicContact CD2-CG2 3.98Å; F234-T278 HydrophobicContact CE2-CG2 3.96Å; I236-T278 HydrophobicContact CD1-CG2 3.97Å; I236-T278 HydrophobicContact CG1-CG2 4.1Å; L274-T278 WeakPolarHBondContact O-CB 3.47Å; L274-T278 PolarHBondContact O-N 3.08Å; L274-T278 PolarHBondContact O-OG1 3.32Å; L275-T278 PolarHBondContact O-N 2.68Å; L276-T278 PolarHBondContact O-N 3.13Å; T278-V280 VanDerWaalsContact C-N 3.29Å; T278-V280 PolarHBondContact O-N 3.41Å; T278-L281 PolarHBondContact O-N 3.01Å; T278-I282 HydrophobicContact CG2-CG2 4.19Å; T278-I282 WeakPolarHBondContact O-CG1 3.2Å; T278-I282 WeakPolarHBondContact O-CG2 3.28Å; T278-I282 PolarHBondContact O-N 3.44Å; T278-F339 WeakPolarHBondContact OG1-CZ 3.18Å
279L95.8Very high92.6Very high90 Ų9050 Ų5047%0.47128%0.279SS..Hα-helixtrans-64.9-33.6-178.3-69.8174.1000112.6L275 L276 I282 L284L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.49Å; L276-L279 PolarHBondContact O-N 3.1Å; L279-I282 HydrophobicContact CD2-CD1 4.2Å; L279-I282 WeakPolarHBondContact O-CG1 3.49Å; L279-L284 HydrophobicContact CD2-CD1 4.27Å
280V96.1Very high92.1Very high56 Ų5653.9 Ų53.934%0.33929%0.289SS..Hα-helixtrans-68.1-55.2171.2178.30000110L276 T278 I282 N283 Y331 H335L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 2.82Å; T278-V280 VanDerWaalsContact C-N 3.29Å; T278-V280 PolarHBondContact O-N 3.41Å; V280-I282 VanDerWaalsContact C-N 3.31Å; V280-I282 PolarHBondContact O-N 2.91Å; V280-N283 PolarHBondContact O-N 3.01Å; V280-Y331 WeakPolarHBondContact O-CE1 3.39Å; V280-Y331 PolarHBondContact O-OH 3.01Å; V280-H335 HydrophobicContact CG1-CB 4.02Å
281L95.3Very high91.6Very high3 Ų360.6 Ų60.62%0.01632%0.318CS..Hα-helixtrans-63.8-29.7-172.1-174.856.7000113.9L117 F127 D277 T278 N283 E332 L336 F339L117-L281 HydrophobicContact CD2-CD2 3.95Å; L117-L281 HydrophobicContact CD2-CG 4.42Å; F127-L281 HydrophobicContact CD1-CD2 3.88Å; F127-L281 HydrophobicContact CD2-CD2 4.47Å; F127-L281 HydrophobicContact CE1-CD1 4.5Å; F127-L281 HydrophobicContact CE1-CD2 4.22Å; F127-L281 HydrophobicContact CG-CD2 4.04Å; D277-L281 WeakPolarHBondContact O-CB 3.12Å; D277-L281 PolarHBondContact O-N 3.13Å; T278-L281 PolarHBondContact O-N 3.01Å; L281-N283 PolarHBondContact O-N 2.98Å; L281-E332 HydrophobicContact CD1-CB 3.98Å; L281-E332 HydrophobicContact CD1-CG 3.85Å; L281-L336 HydrophobicContact CD1-CD2 4.46Å; L281-F339 HydrophobicContact CD2-CB 3.96Å; L281-F339 HydrophobicContact CD2-CD2 3.69Å; L281-F339 HydrophobicContact CD2-CE2 4.37Å; L281-F339 HydrophobicContact CD2-CG 3.85Å
282I93.1Very high90.9Very high8 Ų860.9 Ų60.94%0.04132%0.32CS..THydrogen-bonded Turntrans-74.7-1.9175.366.7-179.8000114.5K6 T119 F234 T278 L279 V280 L284K6-I282 VanDerWaalsContact CE-O 3.25Å; K6-I282 WeakPolarHBondContact CE-O 3.47Å; K6-I282 PolarHBondContact NZ-O 2.87Å; T119-I282 HydrophobicContact CG2-CG2 4.39Å; F234-I282 HydrophobicContact CB-CG2 3.75Å; F234-I282 HydrophobicContact CD1-CD1 3.88Å; F234-I282 HydrophobicContact CD1-CG2 4.31Å; F234-I282 HydrophobicContact CD2-CD1 4.27Å; F234-I282 HydrophobicContact CD2-CG2 3.93Å; F234-I282 HydrophobicContact CE1-CD1 3.61Å; F234-I282 HydrophobicContact CE2-CD1 4.01Å; F234-I282 HydrophobicContact CG-CD1 4.2Å; F234-I282 HydrophobicContact CG-CG2 3.74Å; F234-I282 HydrophobicContact CZ-CD1 3.67Å; T278-I282 HydrophobicContact CG2-CG2 4.19Å; T278-I282 WeakPolarHBondContact O-CG1 3.2Å; T278-I282 WeakPolarHBondContact O-CG2 3.28Å; T278-I282 PolarHBondContact O-N 3.44Å; L279-I282 HydrophobicContact CD2-CD1 4.2Å; L279-I282 WeakPolarHBondContact O-CG1 3.49Å; V280-I282 VanDerWaalsContact C-N 3.31Å; V280-I282 PolarHBondContact O-N 2.91Å; I282-L284 HydrophobicContact CD1-CD2 3.63Å; I282-L284 HydrophobicContact CD1-CG 4.08Å; I282-L284 HydrophobicContact CG1-CD2 3.89Å; I282-L284 HydrophobicContact CG1-CG 4.06Å
283N91.4Very high90.3Very high37 Ų3760 Ų6020%0.19832%0.315CS..THydrogen-bonded Turntrans47.967177.5-164.7-12000113.8V280 L281 G285 A286 Y331V280-N283 PolarHBondContact O-N 3.01Å; L281-N283 PolarHBondContact O-N 2.98Å; N283-G285 PolarHBondContact O-N 3.17Å; N283-G285 PolarHBondContact OD1-N 3.09Å; N283-A286 HydrophobicContact CB-CB 4.33Å; N283-A286 WeakPolarHBondContact O-CB 3.19Å; N283-A286 PolarHBondContact O-N 2.98Å; N283-A286 VanDerWaalsContact O-N 3.15Å; N283-A286 PolarHBondContact OD1-N 3.09Å; N283-Y331 HydrophobicContact CB-CD1 3.78Å; N283-Y331 HydrophobicContact CB-CE1 3.46Å; N283-Y331 VanDerWaalsContact CB-CE1 3.46Å; N283-Y331 HydrophobicContact CB-CE2 4.48Å; N283-Y331 HydrophobicContact CB-CG 4.42Å; N283-Y331 VanDerWaalsContact ND2-CD2 3.33Å; N283-Y331 WeakPolarHBondContact ND2-CD2 3.35Å; N283-Y331 VanDerWaalsContact ND2-CG 3.34Å
284L88.2Confident89.7Confident88 Ų8864.5 Ų64.546%0.46133%0.33SS..G310 helixtrans-60.4-25.6176.4-64-175.2000113K6 L279 I282 A286 C287K6-L284 HydrophobicContact CD-CD2 3.74Å; L279-L284 HydrophobicContact CD2-CD1 4.27Å; I282-L284 HydrophobicContact CD1-CD2 3.63Å; I282-L284 HydrophobicContact CD1-CG 4.08Å; I282-L284 HydrophobicContact CG1-CD2 3.89Å; I282-L284 HydrophobicContact CG1-CG 4.06Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 2.68Å; L284-C287 WeakPolarHBondContact O-CB 3.48Å; L284-C287 PolarHBondContact O-N 3.07Å
285G83.5Confident89Confident55 Ų5567.5 Ų67.557%0.56734%0.344SS*.G310 helixtrans-65.9-28176.300000114.2N283 C287N283-G285 PolarHBondContact O-N 3.17Å; N283-G285 PolarHBondContact OD1-N 3.09Å; G285-C287 PolarHBondContact O-N 3.08Å
286A80.5Confident88.2Confident53 Ų5367.8 Ų67.844%0.43834%0.344SS..G310 helixtrans-69.8-15.6170.700000113N283 L284N283-A286 HydrophobicContact CB-CB 4.33Å; N283-A286 WeakPolarHBondContact O-CB 3.19Å; N283-A286 PolarHBondContact O-N 2.98Å; N283-A286 VanDerWaalsContact O-N 3.15Å; N283-A286 PolarHBondContact OD1-N 3.09Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 2.68Å
287C80.6Confident87.6Confident14 Ų1471.5 Ų71.510%0.09535%0.35CS..G310 helixtrans-94.523.3177.9-66.40000114.1Y4 K6 L284 G285 R289Y4-C287 WeakPolarHBondContact CB-O 3.32Å; K6-C287 WeakPolarHBondContact CE-SG 3.25Å; L284-C287 WeakPolarHBondContact O-CB 3.48Å; L284-C287 PolarHBondContact O-N 3.07Å; G285-C287 PolarHBondContact O-N 3.08Å; C287-R289 PolarHBondContact O-N 3.25Å
288D84.6Confident86.9Confident57 Ų5778.3 Ų78.331%0.30537%0.374SS..  trans-56.9129.2177175.2-106.3000112.3R290 K291 I292D288-R290 PolarHBondContact O-N 3.42Å; D288-R290 WeakPolarHBondContact OD1-CA 3.25Å; D288-R290 WeakPolarHBondContact OD1-CB 3.37Å; D288-R290 PolarHBondContact OD1-N 3.35Å; D288-K291 HydrophobicContact CB-CB 4.25Å; D288-K291 HydrophobicContact CB-CD 4.1Å; D288-K291 HydrophobicContact CB-CG 4.21Å; D288-K291 WeakPolarHBondContact OD1-CG 3.16Å; D288-K291 PolarHBondContact OD1-N 2.89Å; D288-I292 WeakPolarHBondContact O-CB 3.36Å; D288-I292 WeakPolarHBondContact O-CG1 3.34Å; D288-I292 PolarHBondContact O-N 2.86Å
289R85.7Confident86Confident146 Ų14680.5 Ų80.555%0.55138%0.382SS*.Hα-helixtrans-64.1-37.7-176175.6177.1171.5-161.4-5.5112.1Y4 C287 I293Y4-R289 HydrophobicContact CD1-CB 4.32Å; Y4-R289 HydrophobicContact CD1-CG 3.95Å; Y4-R289 HydrophobicContact CD2-CB 4.25Å; Y4-R289 HydrophobicContact CD2-CG 4.39Å; Y4-R289 HydrophobicContact CE1-CG 3.83Å; Y4-R289 HydrophobicContact CE2-CG 4.3Å; Y4-R289 HydrophobicContact CG-CB 4.13Å; Y4-R289 HydrophobicContact CG-CG 4.22Å; C287-R289 PolarHBondContact O-N 3.25Å; R289-I293 HydrophobicContact CG-CD1 3.66Å; R289-I293 HydrophobicContact CG-CG1 4.5Å; R289-I293 WeakPolarHBondContact O-CB 3.34Å; R289-I293 WeakPolarHBondContact O-CD1 3.21Å; R289-I293 VanDerWaalsContact O-CG1 3.22Å; R289-I293 WeakPolarHBondContact O-CG1 3.31Å; R289-I293 PolarHBondContact O-N 3.39Å; R289-I293 VanDerWaalsContact O-N 3.14Å
290R85.1Confident85.4Confident193 Ų19379.1 Ų79.173%0.72838%0.377SS*.Hα-helixtrans-70.9-50.5-177.3-52.1-173.6-164-169.75109.7D288 I292 I293 M294D288-R290 PolarHBondContact O-N 3.42Å; D288-R290 WeakPolarHBondContact OD1-CA 3.25Å; D288-R290 WeakPolarHBondContact OD1-CB 3.37Å; D288-R290 PolarHBondContact OD1-N 3.35Å; R290-I292 PolarHBondContact O-N 3.14Å; R290-I293 PolarHBondContact O-N 3.07Å; R290-M294 WeakPolarHBondContact O-CB 3.23Å; R290-M294 VanDerWaalsContact O-CG 3.31Å; R290-M294 WeakPolarHBondContact O-CG 3.38Å; R290-M294 PolarHBondContact O-N 2.9Å
291K83.8Confident84.7Confident145 Ų14582.4 Ų82.463%0.6339%0.387SS*.Hα-helixtrans-54.3-48.9176.7-68.4179.8-172.4176.80111.8D288 I293 M294 E295D288-K291 HydrophobicContact CB-CB 4.25Å; D288-K291 HydrophobicContact CB-CD 4.1Å; D288-K291 HydrophobicContact CB-CG 4.21Å; D288-K291 WeakPolarHBondContact OD1-CG 3.16Å; D288-K291 PolarHBondContact OD1-N 2.89Å; K291-I293 PolarHBondContact O-N 3.37Å; K291-M294 PolarHBondContact O-N 3.34Å; K291-E295 WeakPolarHBondContact O-CB 3.2Å; K291-E295 PolarHBondContact O-N 3.06Å
292I83.7Confident83.9Confident14 Ų1484.9 Ų84.97%0.07240%0.4CS..Hα-helixtrans-65.7-40-179.1-72.4173.9000112.3R3 D288 R290 E296R3-I292 HydrophobicContact CB-CG2 3.72Å; D288-I292 WeakPolarHBondContact O-CB 3.36Å; D288-I292 WeakPolarHBondContact O-CG1 3.34Å; D288-I292 PolarHBondContact O-N 2.86Å; R290-I292 PolarHBondContact O-N 3.14Å; I292-E296 VanDerWaalsContact O-CB 3.31Å; I292-E296 WeakPolarHBondContact O-CB 3.47Å; I292-E296 PolarHBondContact O-N 3.18Å
293I84.8Confident83.1Confident53 Ų5390.6 Ų90.627%0.27242%0.421SS..Hα-helixtrans-70.6-39.7177.9-69.1171.5000111.2Y4 R289 R290 K291 E296 R297Y4-I293 HydrophobicContact CE1-CD1 4.45Å; R289-I293 HydrophobicContact CG-CD1 3.66Å; R289-I293 HydrophobicContact CG-CG1 4.5Å; R289-I293 WeakPolarHBondContact O-CB 3.34Å; R289-I293 WeakPolarHBondContact O-CD1 3.21Å; R289-I293 VanDerWaalsContact O-CG1 3.22Å; R289-I293 WeakPolarHBondContact O-CG1 3.31Å; R289-I293 PolarHBondContact O-N 3.39Å; R289-I293 VanDerWaalsContact O-N 3.14Å; R290-I293 PolarHBondContact O-N 3.07Å; K291-I293 PolarHBondContact O-N 3.37Å; I293-E296 PolarHBondContact O-N 3.48Å; I293-R297 WeakPolarHBondContact O-CG 3.15Å; I293-R297 PolarHBondContact O-N 3.43Å
294M84.6Confident82.5Confident131 Ų13195.8 Ų95.865%0.64545%0.448SS*.Hα-helixtrans-63.5-44.4174.8-72.8174172.400111.5R290 K291 E296 R297 R298R290-M294 WeakPolarHBondContact O-CB 3.23Å; R290-M294 VanDerWaalsContact O-CG 3.31Å; R290-M294 WeakPolarHBondContact O-CG 3.38Å; R290-M294 PolarHBondContact O-N 2.9Å; K291-M294 PolarHBondContact O-N 3.34Å; M294-E296 VanDerWaalsContact C-N 3.33Å; M294-E296 PolarHBondContact O-N 3.23Å; M294-R297 PolarHBondContact O-N 3.28Å; M294-R298 WeakPolarHBondContact O-CB 3.42Å; M294-R298 PolarHBondContact O-N 3.04Å
295E82Confident81.9Confident63 Ų6398 Ų9829%0.29446%0.456SS..Hα-helixtrans-61.4-41.3174.4-166.3-157.8-161.300111.5R3 S229 K291 R298 R299R3-E295 IonicContact NH2-OE2 3.75Å; R3-E295 PolarHBondContact NH2-OE2 3.17Å; S229-E295 PolarHBondContact OG-OE2 2.87Å; K291-E295 WeakPolarHBondContact O-CB 3.2Å; K291-E295 PolarHBondContact O-N 3.06Å; E295-R298 PolarHBondContact O-N 3.28Å; E295-R299 VanDerWaalsContact CD-NE 3.31Å; E295-R299 WeakPolarHBondContact O-CB 3.31Å; E295-R299 VanDerWaalsContact O-CG 3.28Å; E295-R299 WeakPolarHBondContact O-CG 3.43Å; E295-R299 PolarHBondContact O-N 3.26Å; E295-R299 IonicContact OE1-CZ 2.95Å; E295-R299 VanDerWaalsContact OE1-CZ 3.23Å; E295-R299 IonicContact OE1-NE 2.69Å; E295-R299 PolarHBondContact OE1-NE 3.29Å; E295-R299 VanDerWaalsContact OE1-NE 3.08Å; E295-R299 IonicContact OE1-NH2 2.74Å; E295-R299 PolarHBondContact OE1-NH2 3.37Å; E295-R299 IonicContact OE2-CZ 3.66Å; E295-R299 IonicContact OE2-NE 2.78Å; E295-R299 IonicContact OE2-NH2 3.72Å
296E81.2Confident81Confident72 Ų7299.2 Ų99.234%0.33645%0.447SS..Hα-helixtrans-63.1-46.4175.9-174.1145.7-102.900112.5R3 I292 I293 M294 R298 R299 V300R3-E296 WeakPolarHBondContact CD-OE1 3.43Å; R3-E296 IonicContact CZ-OE1 3.16Å; R3-E296 IonicContact NE-OE1 2.92Å; R3-E296 IonicContact NH1-OE1 2.9Å; R3-E296 PolarHBondContact NH1-OE1 2.9Å; I292-E296 VanDerWaalsContact O-CB 3.31Å; I292-E296 WeakPolarHBondContact O-CB 3.47Å; I292-E296 PolarHBondContact O-N 3.18Å; I293-E296 PolarHBondContact O-N 3.48Å; M294-E296 VanDerWaalsContact C-N 3.33Å; M294-E296 PolarHBondContact O-N 3.23Å; E296-R298 PolarHBondContact O-N 3.35Å; E296-R299 PolarHBondContact O-N 2.85Å; E296-V300 VanDerWaalsContact O-CG2 3.32Å; E296-V300 WeakPolarHBondContact O-CG2 3.43Å; E296-V300 PolarHBondContact O-N 3.35Å
297R84.9Confident80.3Confident187 Ų187105.4 Ų105.471%0.70647%0.472SS*.Hα-helixtrans-58.3-46.1174.4-76.3177.7170.9-173.7-5.2111.4I293 M294 V300 K301I293-R297 WeakPolarHBondContact O-CG 3.15Å; I293-R297 PolarHBondContact O-N 3.43Å; M294-R297 PolarHBondContact O-N 3.28Å; R297-V300 PolarHBondContact O-N 2.95Å; R297-K301 PolarHBondContact O-N 3.3Å
298R83.2Confident79.7Confident177 Ų177110.5 Ų110.567%0.66849%0.49SS*.Hα-helixtrans-58.6-52.3174.6179.6175.6175.2178.91111.5M294 E295 E296 V300 K301 D302M294-R298 WeakPolarHBondContact O-CB 3.42Å; M294-R298 PolarHBondContact O-N 3.04Å; E295-R298 PolarHBondContact O-N 3.28Å; E296-R298 PolarHBondContact O-N 3.35Å; R298-V300 VanDerWaalsContact C-N 3.25Å; R298-V300 PolarHBondContact O-N 3.13Å; R298-K301 PolarHBondContact O-N 3.04Å; R298-K301 VanDerWaalsContact O-N 3.09Å; R298-D302 WeakPolarHBondContact CG-OD2 3.47Å; R298-D302 IonicContact NE-OD2 3.37Å; R298-D302 VanDerWaalsContact O-CG 3.24Å; R298-D302 PolarHBondContact O-N 2.84Å
299R78.3Confident79.4Confident49 Ų49110.9 Ų110.919%0.18550%0.497CS..Hα-helixtrans-60.9-28.2176.8-71174.2-178.2-138.93.3113.2E295 E296 R303E295-R299 VanDerWaalsContact CD-NE 3.31Å; E295-R299 WeakPolarHBondContact O-CB 3.31Å; E295-R299 VanDerWaalsContact O-CG 3.28Å; E295-R299 WeakPolarHBondContact O-CG 3.43Å; E295-R299 PolarHBondContact O-N 3.26Å; E295-R299 IonicContact OE1-CZ 2.95Å; E295-R299 VanDerWaalsContact OE1-CZ 3.23Å; E295-R299 IonicContact OE1-NE 2.69Å; E295-R299 PolarHBondContact OE1-NE 3.29Å; E295-R299 VanDerWaalsContact OE1-NE 3.08Å; E295-R299 IonicContact OE1-NH2 2.74Å; E295-R299 PolarHBondContact OE1-NH2 3.37Å; E295-R299 IonicContact OE2-CZ 3.66Å; E295-R299 IonicContact OE2-NE 2.78Å; E295-R299 IonicContact OE2-NH2 3.72Å; E296-R299 PolarHBondContact O-N 2.85Å; R299-R303 WeakPolarHBondContact O-CB 3.36Å; R299-R303 WeakPolarHBondContact O-CG 3.22Å; R299-R303 PolarHBondContact O-N 3.48Å; R299-R303 PolarHBondContact O-NE 3.19Å
300V82.2Confident79.1Confident61 Ų61114 Ų11437%0.3751%0.508SS..Hα-helixtrans-71.3-50.5171.1171.10000110.2E296 R297 R298 D302 R303 L304E296-V300 VanDerWaalsContact O-CG2 3.32Å; E296-V300 WeakPolarHBondContact O-CG2 3.43Å; E296-V300 PolarHBondContact O-N 3.35Å; R297-V300 PolarHBondContact O-N 2.95Å; R298-V300 VanDerWaalsContact C-N 3.25Å; R298-V300 PolarHBondContact O-N 3.13Å; V300-D302 PolarHBondContact O-N 2.91Å; V300-R303 PolarHBondContact O-N 3.32Å; V300-L304 HydrophobicContact CG1-CD1 3.91Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.2Å; V300-L304 VanDerWaalsContact O-N 3.1Å
301K82.3Confident79Confident124 Ų124111 Ų11154%0.53950%0.503SS..Hα-helixtrans-58-48.8179-175.8171178.7174.40112R297 R298 R303 L304 Q305R297-K301 PolarHBondContact O-N 3.3Å; R298-K301 PolarHBondContact O-N 3.04Å; R298-K301 VanDerWaalsContact O-N 3.09Å; K301-R303 VanDerWaalsContact C-N 3.29Å; K301-R303 PolarHBondContact O-N 2.96Å; K301-L304 PolarHBondContact O-N 2.87Å; K301-Q305 HydrophobicContact CG-CG 4.3Å; K301-Q305 WeakPolarHBondContact O-CB 3.46Å; K301-Q305 WeakPolarHBondContact O-CG 3.4Å; K301-Q305 PolarHBondContact O-N 3.35Å
302D78.5Confident78.9Confident55 Ų55106.2 Ų106.229%0.29449%0.49SS..Hα-helixtrans-59-39.2178.1-63.3-22000111.6R298 V300 L304 Q306R298-D302 WeakPolarHBondContact CG-OD2 3.47Å; R298-D302 IonicContact NE-OD2 3.37Å; R298-D302 VanDerWaalsContact O-CG 3.24Å; R298-D302 PolarHBondContact O-N 2.84Å; V300-D302 PolarHBondContact O-N 2.91Å; D302-L304 VanDerWaalsContact C-N 3.35Å; D302-L304 PolarHBondContact O-N 2.93Å; D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 WeakPolarHBondContact O-CG 3.41Å; D302-Q306 PolarHBondContact O-N 2.83Å; D302-Q306 VanDerWaalsContact O-N 3.14Å
303R77.1Confident78.6Confident129 Ų129111.9 Ų111.949%0.48751%0.51SS..Hα-helixtrans-69.6-26176.1-79.1-178.4-65.4174.1-0.9114.4R299 V300 K301R299-R303 WeakPolarHBondContact O-CB 3.36Å; R299-R303 WeakPolarHBondContact O-CG 3.22Å; R299-R303 PolarHBondContact O-N 3.48Å; R299-R303 PolarHBondContact O-NE 3.19Å; V300-R303 PolarHBondContact O-N 3.32Å; K301-R303 VanDerWaalsContact C-N 3.29Å; K301-R303 PolarHBondContact O-N 2.96Å
304L78.8Confident78.5Confident146 Ų146113 Ų11376%0.76452%0.523SS*.Hα-helixtrans-87.3-29.9177.4-68.5171.1000111.9V300 K301 D302V300-L304 HydrophobicContact CG1-CD1 3.91Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.2Å; V300-L304 VanDerWaalsContact O-N 3.1Å; K301-L304 PolarHBondContact O-N 2.87Å; D302-L304 VanDerWaalsContact C-N 3.35Å; D302-L304 PolarHBondContact O-N 2.93Å
305Q73.9Confident78.5Confident135 Ų135110 Ų11063%0.63151%0.507SS*.Hα-helixtrans-91.2-16.6-175.9-67.3-172.8-34.400114.3K301K301-Q305 HydrophobicContact CG-CG 4.3Å; K301-Q305 WeakPolarHBondContact O-CB 3.46Å; K301-Q305 WeakPolarHBondContact O-CG 3.4Å; K301-Q305 PolarHBondContact O-N 3.35Å
306Q66.2Low78.5Confident80 Ų80111.3 Ų111.337%0.37451%0.514SS..  trans-117.1111.8-173.8-60.7-176.33.600113.7D302 R308D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 WeakPolarHBondContact O-CG 3.41Å; D302-Q306 PolarHBondContact O-N 2.83Å; D302-Q306 VanDerWaalsContact O-N 3.14Å; Q306-R308 HydrophobicContact CB-CG 4.22Å; Q306-R308 PolarHBondContact O-N 3.16Å
307N64.3Low78.5Confident182 Ų182111.2 Ų111.297%0.97352%0.515SS*.  trans-73.962162.9-87.4-16.9000111
308R69.3Low78.4Confident122 Ų122109.6 Ų109.646%0.4651%0.509SS..  trans-80.4147.1172.3-84.2-178173.2178.12.2111.3Q306 E316Q306-R308 HydrophobicContact CB-CG 4.22Å; Q306-R308 PolarHBondContact O-N 3.16Å; R308-E316 IonicContact CZ-OE1 3.5Å; R308-E316 IonicContact NH1-OE1 2.77Å; R308-E316 PolarHBondContact NH1-OE1 3.18Å; R308-E316 IonicContact NH1-OE2 2.8Å; R308-E316 PolarHBondContact NH1-OE2 3.07Å
309S78.6Confident78.5Confident64 Ų64106.7 Ų106.745%0.44850%0.503SS..  trans-62.5156171.475.80000111.2E311 A312 R313S309-E311 VanDerWaalsContact CB-OE2 3.31Å; S309-E311 WeakPolarHBondContact CB-OE2 3.17Å; S309-E311 PolarHBondContact O-N 2.81Å; S309-E311 PolarHBondContact OG-OE2 3.36Å; S309-A312 PolarHBondContact O-N 2.97Å; S309-A312 PolarHBondContact OG-N 2.94Å; S309-R313 PolarHBondContact O-N 3.1Å
310R77.8Confident78.7Confident212 Ų212106.3 Ų106.380%0.851%0.508SS*.Hα-helixtrans-61.6-34.7-179.7179.3-179.4172.8-176.9-3.5111.3S314R310-S314 WeakPolarHBondContact O-CB 3.35Å; R310-S314 PolarHBondContact O-N 3.24Å
311E82.8Confident78.7Confident131 Ų131107.4 Ų107.461%0.61251%0.509SS*.Hα-helixtrans-67.5-50.2-179.2-60.165.1-138.700110.2S309 R313 S314 E315S309-E311 VanDerWaalsContact CB-OE2 3.31Å; S309-E311 WeakPolarHBondContact CB-OE2 3.17Å; S309-E311 PolarHBondContact O-N 2.81Å; S309-E311 PolarHBondContact OG-OE2 3.36Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 2.7Å; E311-S314 WeakPolarHBondContact O-CB 3.18Å; E311-S314 PolarHBondContact O-N 3.06Å; E311-S314 VanDerWaalsContact O-N 3.08Å; E311-E315 PolarHBondContact O-N 3.21Å
312A82.4Confident78.9Confident43 Ų43104.3 Ų104.336%0.35551%0.506SS..Hα-helixtrans-59.6-43.2178.600000111.8S309 S314 E315 E316S309-A312 PolarHBondContact O-N 2.97Å; S309-A312 PolarHBondContact OG-N 2.94Å; A312-S314 VanDerWaalsContact C-N 3.32Å; A312-S314 PolarHBondContact O-N 3.33Å; A312-E315 PolarHBondContact O-N 2.91Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 PolarHBondContact O-N 3.17Å
313R77.9Confident79.3Confident134 Ų134103.6 Ų103.651%0.50651%0.508SS..Hα-helixtrans-67.4-30.3176.3-178.7171.9165.6-166.7-11113.1S309 E311 L317S309-R313 PolarHBondContact O-N 3.1Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 2.7Å; R313-L317 WeakPolarHBondContact O-CB 3.24Å; R313-L317 PolarHBondContact O-N 2.91Å
314S81.4Confident79.7Confident77 Ų7799.2 Ų99.254%0.53850%0.496SS..Hα-helixtrans-72.1-38.1174.9-167.30000111.8R310 E311 A312 R318R310-S314 WeakPolarHBondContact O-CB 3.35Å; R310-S314 PolarHBondContact O-N 3.24Å; E311-S314 WeakPolarHBondContact O-CB 3.18Å; E311-S314 PolarHBondContact O-N 3.06Å; E311-S314 VanDerWaalsContact O-N 3.08Å; A312-S314 VanDerWaalsContact C-N 3.32Å; A312-S314 PolarHBondContact O-N 3.33Å; S314-R318 PolarHBondContact O-N 2.81Å; S314-R318 VanDerWaalsContact O-N 3.12Å
315E85.4Confident80.1Confident66 Ų6694.3 Ų94.331%0.30847%0.472SS..Hα-helixtrans-71.3-43.1178.5-175.255-153.300111.7E311 A312 L317 R318 Q319E311-E315 PolarHBondContact O-N 3.21Å; A312-E315 PolarHBondContact O-N 2.91Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 3.48Å; E315-R318 WeakPolarHBondContact O-CB 3.4Å; E315-R318 PolarHBondContact O-N 3.35Å; E315-R318 VanDerWaalsContact O-N 3.07Å; E315-R318 IonicContact OE1-CZ 3.55Å; E315-R318 IonicContact OE1-NE 3.97Å; E315-R318 PolarHBondContact OE1-NE 3.37Å; E315-R318 IonicContact OE1-NH2 2.67Å; E315-R318 PolarHBondContact OE1-NH2 3.01Å; E315-R318 IonicContact OE2-CZ 3.43Å; E315-R318 IonicContact OE2-NE 2.71Å; E315-R318 PolarHBondContact OE2-NE 3.12Å; E315-R318 IonicContact OE2-NH2 3.34Å; E315-R318 PolarHBondContact OE2-NH2 2.99Å; E315-Q319 WeakPolarHBondContact O-CG 3.34Å; E315-Q319 PolarHBondContact O-N 2.9Å; E315-Q319 PolarHBondContact OE1-NE2 3.42Å
316E82.6Confident80.8Confident92 Ų9293.8 Ų93.843%0.4347%0.469SS..Hα-helixtrans-58.9-40.5173.6179.3172.2-132.100112.3R308 A312 Q319 S320R308-E316 IonicContact CZ-OE1 3.5Å; R308-E316 IonicContact NH1-OE1 2.77Å; R308-E316 PolarHBondContact NH1-OE1 3.18Å; R308-E316 IonicContact NH1-OE2 2.8Å; R308-E316 PolarHBondContact NH1-OE2 3.07Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 PolarHBondContact O-N 3.17Å; E316-Q319 PolarHBondContact O-N 3.18Å; E316-S320 WeakPolarHBondContact O-CB 3.43Å; E316-S320 PolarHBondContact O-N 2.9Å
317L79.9Confident81.9Confident69 Ų6996.5 Ų96.536%0.36148%0.482SS..Hα-helixtrans-62.7-41.9173.3179.963.4000111.7I228 R313 E315 S320 Q321I228-L317 HydrophobicContact CD1-CD1 4.47Å; I228-L317 HydrophobicContact CG2-CD1 3.79Å; R313-L317 WeakPolarHBondContact O-CB 3.24Å; R313-L317 PolarHBondContact O-N 2.91Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 3.48Å; L317-S320 PolarHBondContact O-N 3.33Å; L317-Q321 HydrophobicContact CD1-CG 4.47Å; L317-Q321 WeakPolarHBondContact O-CB 3.28Å; L317-Q321 VanDerWaalsContact O-CG 3.29Å; L317-Q321 WeakPolarHBondContact O-CG 3.38Å; L317-Q321 PolarHBondContact O-N 3.5Å
318R83.8Confident83.1Confident153 Ų15390.3 Ų90.358%0.57745%0.448SS*.Hα-helixtrans-64.5-42.3178.4-170.9175.871.7144.25.9111.6S314 E315 Q321 A322S314-R318 PolarHBondContact O-N 2.81Å; S314-R318 VanDerWaalsContact O-N 3.12Å; E315-R318 WeakPolarHBondContact O-CB 3.4Å; E315-R318 PolarHBondContact O-N 3.35Å; E315-R318 VanDerWaalsContact O-N 3.07Å; E315-R318 IonicContact OE1-CZ 3.55Å; E315-R318 IonicContact OE1-NE 3.97Å; E315-R318 PolarHBondContact OE1-NE 3.37Å; E315-R318 IonicContact OE1-NH2 2.67Å; E315-R318 PolarHBondContact OE1-NH2 3.01Å; E315-R318 IonicContact OE2-CZ 3.43Å; E315-R318 IonicContact OE2-NE 2.71Å; E315-R318 PolarHBondContact OE2-NE 3.12Å; E315-R318 IonicContact OE2-NH2 3.34Å; E315-R318 PolarHBondContact OE2-NH2 2.99Å; R318-Q321 PolarHBondContact O-N 2.82Å; R318-A322 WeakPolarHBondContact O-CB 3.17Å; R318-A322 PolarHBondContact O-N 2.88Å
319Q85.4Confident84.1Confident116 Ų11687.6 Ų87.654%0.54244%0.44SS..Hα-helixtrans-66.6-43.7176.3-68.81748.600111.8E315 E316 Q321 A322 A323E315-Q319 WeakPolarHBondContact O-CG 3.34Å; E315-Q319 PolarHBondContact O-N 2.9Å; E315-Q319 PolarHBondContact OE1-NE2 3.42Å; E316-Q319 PolarHBondContact O-N 3.18Å; Q319-Q321 VanDerWaalsContact C-N 3.33Å; Q319-Q321 PolarHBondContact O-N 3.35Å; Q319-A322 PolarHBondContact O-N 3.15Å; Q319-A323 PolarHBondContact O-N 3.22Å
320S82.2Confident84.8Confident42 Ų4289.5 Ų89.529%0.29444%0.442SS..Hα-helixtrans-60.3-41.2173.8176.20000112.1E316 L317 T324E316-S320 WeakPolarHBondContact O-CB 3.43Å; E316-S320 PolarHBondContact O-N 2.9Å; L317-S320 PolarHBondContact O-N 3.33Å; S320-T324 WeakPolarHBondContact O-CB 3.49Å; S320-T324 PolarHBondContact O-N 3.3Å; S320-T324 PolarHBondContact O-OG1 3.47Å
321Q82.3Confident85.5Confident84 Ų8482.1 Ų82.139%0.39342%0.415SS..Hα-helixtrans-64.4-45.4174.1-76.7174.6-26.100111.9I228 L317 R318 Q319 T324 V325I228-Q321 HydrophobicContact CG2-CG 4.25Å; L317-Q321 HydrophobicContact CD1-CG 4.47Å; L317-Q321 WeakPolarHBondContact O-CB 3.28Å; L317-Q321 VanDerWaalsContact O-CG 3.29Å; L317-Q321 WeakPolarHBondContact O-CG 3.38Å; L317-Q321 PolarHBondContact O-N 3.5Å; R318-Q321 PolarHBondContact O-N 2.82Å; Q319-Q321 VanDerWaalsContact C-N 3.33Å; Q319-Q321 PolarHBondContact O-N 3.35Å; Q321-T324 PolarHBondContact O-N 3.4Å; Q321-V325 WeakPolarHBondContact O-CG2 3.44Å; Q321-V325 PolarHBondContact O-N 2.94Å
322A86.6Confident86Confident58 Ų5876 Ų7648%0.47939%0.386SS..Hα-helixtrans-58.7-50.617800000112R318 Q319 T324 V325 E326R318-A322 WeakPolarHBondContact O-CB 3.17Å; R318-A322 PolarHBondContact O-N 2.88Å; Q319-A322 PolarHBondContact O-N 3.15Å; A322-T324 VanDerWaalsContact C-N 3.29Å; A322-T324 PolarHBondContact O-N 2.94Å; A322-V325 PolarHBondContact O-N 3.5Å; A322-V325 VanDerWaalsContact O-N 3.1Å; A322-E326 PolarHBondContact O-N 3.24Å
323A87.2Confident86.5Confident41 Ų4177.1 Ų77.134%0.33940%0.395SS..Hα-helixtrans-61.5-35.3176.900000112.8Q319 Q327Q319-A323 PolarHBondContact O-N 3.22Å; A323-Q327 WeakPolarHBondContact O-CB 3.48Å; A323-Q327 VanDerWaalsContact O-CG 3.28Å; A323-Q327 WeakPolarHBondContact O-CG 3.29Å; A323-Q327 PolarHBondContact O-N 2.97Å
324T84.6Confident87.3Confident37 Ų3777.6 Ų77.623%0.22740%0.401CS..Hα-helixtrans-67.6-39.2174.7-55.20000111.7S229 S320 Q321 A322 M328S229-T324 WeakPolarHBondContact O-CG2 3.36Å; S320-T324 WeakPolarHBondContact O-CB 3.49Å; S320-T324 PolarHBondContact O-N 3.3Å; S320-T324 PolarHBondContact O-OG1 3.47Å; Q321-T324 PolarHBondContact O-N 3.4Å; A322-T324 VanDerWaalsContact C-N 3.29Å; A322-T324 PolarHBondContact O-N 2.94Å; T324-M328 WeakPolarHBondContact O-CB 3.37Å; T324-M328 PolarHBondContact O-N 3.34Å; T324-M328 VanDerWaalsContact O-N 3.08Å
325V86.6Confident88Confident42 Ų4277.2 Ų77.226%0.25539%0.39SS..Hα-helixtrans-65.6-47.7175.9171.40000110.2P123 Q321 A322 Q327 M328 E329P123-V325 HydrophobicContact CG-CG1 4.31Å; P123-V325 HydrophobicContact CG-CG2 3.84Å; Q321-V325 WeakPolarHBondContact O-CG2 3.44Å; Q321-V325 PolarHBondContact O-N 2.94Å; A322-V325 PolarHBondContact O-N 3.5Å; A322-V325 VanDerWaalsContact O-N 3.1Å; V325-Q327 PolarHBondContact O-N 3.09Å; V325-M328 HydrophobicContact CG1-CE 4.43Å; V325-M328 HydrophobicContact CG2-CE 4.37Å; V325-M328 CarbonylContact O-C 3.56Å; V325-M328 WeakPolarHBondContact O-CA 3.42Å; V325-M328 WeakPolarHBondContact O-CB 3.43Å; V325-M328 PolarHBondContact O-N 3.01Å; V325-M328 VanDerWaalsContact O-N 3.08Å; V325-E329 HydrophobicContact CG1-CG 4.08Å; V325-E329 WeakPolarHBondContact O-CG 3.35Å; V325-E329 PolarHBondContact O-N 3.26Å
326E89.8Confident88.4Confident125 Ų12576.4 Ų76.458%0.58439%0.388SS*.Hα-helixtrans-55.7-49.5177.3-175.8172.9-149.300112.3A322 M328 E329 E330A322-E326 PolarHBondContact O-N 3.24Å; E326-M328 VanDerWaalsContact C-N 3.29Å; E326-M328 PolarHBondContact O-N 2.97Å; E326-E329 PolarHBondContact O-N 3.02Å; E326-E329 VanDerWaalsContact O-N 3.11Å; E326-E330 PolarHBondContact O-N 2.8Å
327Q88.6Confident89Confident136 Ų13674.3 Ų74.364%0.63639%0.391SS*.Hα-helixtrans-59.4-37.4174.6-72.61749.700113A323 V325 Y331A323-Q327 WeakPolarHBondContact O-CB 3.48Å; A323-Q327 VanDerWaalsContact O-CG 3.28Å; A323-Q327 WeakPolarHBondContact O-CG 3.29Å; A323-Q327 PolarHBondContact O-N 2.97Å; V325-Q327 PolarHBondContact O-N 3.09Å; Q327-Y331 WeakPolarHBondContact O-CB 3.48Å; Q327-Y331 PolarHBondContact O-N 3.41Å
328M89.1Confident89.8Confident53 Ų5371.8 Ų71.826%0.26138%0.382SS..Hα-helixtrans-68.7-40.6174.7177.5-179.658.600111.4P123 T324 V325 E326 Y331 E332P123-M328 HydrophobicContact CG-CE 4.07Å; T324-M328 WeakPolarHBondContact O-CB 3.37Å; T324-M328 PolarHBondContact O-N 3.34Å; T324-M328 VanDerWaalsContact O-N 3.08Å; V325-M328 HydrophobicContact CG1-CE 4.43Å; V325-M328 HydrophobicContact CG2-CE 4.37Å; V325-M328 CarbonylContact O-C 3.56Å; V325-M328 WeakPolarHBondContact O-CA 3.42Å; V325-M328 WeakPolarHBondContact O-CB 3.43Å; V325-M328 PolarHBondContact O-N 3.01Å; V325-M328 VanDerWaalsContact O-N 3.08Å; E326-M328 VanDerWaalsContact C-N 3.29Å; E326-M328 PolarHBondContact O-N 2.97Å; M328-Y331 PolarHBondContact O-N 2.96Å; M328-E332 HydrophobicContact CG-CG 4.33Å; M328-E332 WeakPolarHBondContact O-CB 3.47Å; M328-E332 VanDerWaalsContact O-CG 3.24Å; M328-E332 WeakPolarHBondContact O-CG 3.39Å; M328-E332 PolarHBondContact O-N 2.65Å
329E90.9Very high90.5Very high65 Ų6564.5 Ų64.530%0.30436%0.355SS..Hα-helixtrans-66.4-41.8178.3-56.2-142.711900112R125 V325 E326 A333 R341R125-E329 IonicContact CZ-OE1 2.75Å; R125-E329 IonicContact NH1-OE1 2.66Å; R125-E329 PolarHBondContact NH1-OE1 3.09Å; R125-E329 IonicContact NH2-OE1 2.68Å; R125-E329 PolarHBondContact NH2-OE1 3.34Å; V325-E329 HydrophobicContact CG1-CG 4.08Å; V325-E329 WeakPolarHBondContact O-CG 3.35Å; V325-E329 PolarHBondContact O-N 3.26Å; E326-E329 PolarHBondContact O-N 3.02Å; E326-E329 VanDerWaalsContact O-N 3.11Å; E329-A333 VanDerWaalsContact O-CB 3.29Å; E329-A333 WeakPolarHBondContact O-CB 3.37Å; E329-A333 PolarHBondContact O-N 2.91Å; E329-R341 IonicContact OE1-NH1 3.72Å
330E93.1Very high91Very high104 Ų10463.5 Ų63.549%0.48635%0.348SS..Hα-helixtrans-59.5-45.8171.6-84.9-159.4-14400112.2E326 A333 K334E326-E330 PolarHBondContact O-N 2.8Å; E330-A333 PolarHBondContact O-N 3.43Å; E330-K334 WeakPolarHBondContact O-CD 3.48Å; E330-K334 VanDerWaalsContact O-CG 3.32Å; E330-K334 WeakPolarHBondContact O-CG 3.48Å; E330-K334 PolarHBondContact O-N 3.4Å; E330-K334 IonicContact OE2-NZ 3.87Å; E330-K334 PolarHBondContact OE2-NZ 2.71Å
331Y93.4Very high91.7Very high56 Ų5665.3 Ų65.322%0.2235%0.349CS..Hα-helixtrans-62.9-51179.2-177.9-88000110.7V280 N283 Q327 M328 A333 K334 H335V280-Y331 WeakPolarHBondContact O-CE1 3.39Å; V280-Y331 PolarHBondContact O-OH 3.01Å; N283-Y331 HydrophobicContact CB-CD1 3.78Å; N283-Y331 HydrophobicContact CB-CE1 3.46Å; N283-Y331 VanDerWaalsContact CB-CE1 3.46Å; N283-Y331 HydrophobicContact CB-CE2 4.48Å; N283-Y331 HydrophobicContact CB-CG 4.42Å; N283-Y331 VanDerWaalsContact ND2-CD2 3.33Å; N283-Y331 WeakPolarHBondContact ND2-CD2 3.35Å; N283-Y331 VanDerWaalsContact ND2-CG 3.34Å; Q327-Y331 WeakPolarHBondContact O-CB 3.48Å; Q327-Y331 PolarHBondContact O-N 3.41Å; M328-Y331 PolarHBondContact O-N 2.96Å; Y331-A333 VanDerWaalsContact C-N 3.32Å; Y331-A333 PolarHBondContact O-N 3.49Å; Y331-K334 PolarHBondContact O-N 3.45Å; Y331-K334 VanDerWaalsContact O-N 3.15Å; Y331-H335 HydrophobicContact CD1-CB 4.4Å; Y331-H335 AromaticContact CD1-ND1 3.93Å; Y331-H335 AromaticContact CD2-CE1 3.57Å; Y331-H335 AromaticContact CD2-ND1 3.54Å; Y331-H335 HydrophobicContact CE1-CB 3.96Å; Y331-H335 AromaticContact CE1-CG 3.88Å; Y331-H335 AromaticContact CE1-ND1 3.83Å; Y331-H335 AromaticContact CE2-CE1 3.31Å; Y331-H335 WeakPolarHBondContact CE2-CE1 3.47Å; Y331-H335 AromaticContact CE2-ND1 3.45Å; Y331-H335 WeakPolarHBondContact CE2-ND1 3.49Å; Y331-H335 AromaticContact CE2-NE2 3.77Å; Y331-H335 AromaticContact CG-ND1 3.78Å; Y331-H335 AromaticContact CZ-CD2 3.95Å; Y331-H335 AromaticContact CZ-CE1 3.81Å; Y331-H335 AromaticContact CZ-CG 3.69Å; Y331-H335 AromaticContact CZ-ND1 3.59Å; Y331-H335 WeakPolarHBondContact O-CB 3.45Å; Y331-H335 PolarHBondContact O-N 3.37Å; Y331-H335 PolarHBondContact O-ND1 3.47Å
332E93.8Very high92.4Very high3 Ų361.3 Ų61.31%0.01433%0.33CS..Hα-helixtrans-57.8-44.1178.7-73173.3163.900111.5R125 F127 L281 M328 K334 H335 L336R125-E332 WeakPolarHBondContact CD-OE1 3.47Å; R125-E332 IonicContact CZ-OE1 2.65Å; R125-E332 IonicContact CZ-OE2 3.24Å; R125-E332 VanDerWaalsContact NE-CD 3.27Å; R125-E332 IonicContact NE-OE1 3.08Å; R125-E332 PolarHBondContact NE-OE1 3.08Å; R125-E332 IonicContact NE-OE2 3.23Å; R125-E332 PolarHBondContact NE-OE2 2.84Å; R125-E332 IonicContact NH2-OE2 3.66Å; R125-E332 PolarHBondContact NH2-OE2 2.9Å; F127-E332 HydrophobicContact CZ-CB 4.48Å; F127-E332 VanDerWaalsContact CZ-CD 3.47Å; F127-E332 HydrophobicContact CZ-CG 4.17Å; F127-E332 WeakPolarHBondContact CZ-OE1 3.42Å; F127-E332 WeakPolarHBondContact CZ-OE2 3Å; L281-E332 HydrophobicContact CD1-CB 3.98Å; L281-E332 HydrophobicContact CD1-CG 3.85Å; M328-E332 HydrophobicContact CG-CG 4.33Å; M328-E332 WeakPolarHBondContact O-CB 3.47Å; M328-E332 VanDerWaalsContact O-CG 3.24Å; M328-E332 WeakPolarHBondContact O-CG 3.39Å; M328-E332 PolarHBondContact O-N 2.65Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 2.92Å; E332-H335 CarbonylContact O-C 3.49Å; E332-H335 PolarHBondContact O-N 3.12Å; E332-H335 VanDerWaalsContact O-N 3.07Å; E332-L336 WeakPolarHBondContact O-CD2 2.95Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.24Å; E332-L336 PolarHBondContact O-N 3.42Å; E332-L336 VanDerWaalsContact O-N 3.08Å
333A92.3Very high92.9Very high66 Ų6660 Ų6055%0.54531%0.313SS..Hα-helixtrans-59.7-35.9178.500000112.8E329 E330 Y331E329-A333 VanDerWaalsContact O-CB 3.29Å; E329-A333 WeakPolarHBondContact O-CB 3.37Å; E329-A333 PolarHBondContact O-N 2.91Å; E330-A333 PolarHBondContact O-N 3.43Å; Y331-A333 VanDerWaalsContact C-N 3.32Å; Y331-A333 PolarHBondContact O-N 3.49Å
334K95.3Very high93.2Very high144 Ų14460.1 Ų60.163%0.62631%0.31SS*.Hα-helixtrans-79.5-18.3177.1-66.9162.5-172.9165.30113.2E330 Y331 E332E330-K334 WeakPolarHBondContact O-CD 3.48Å; E330-K334 VanDerWaalsContact O-CG 3.32Å; E330-K334 WeakPolarHBondContact O-CG 3.48Å; E330-K334 PolarHBondContact O-N 3.4Å; E330-K334 IonicContact OE2-NZ 3.87Å; E330-K334 PolarHBondContact OE2-NZ 2.71Å; Y331-K334 PolarHBondContact O-N 3.45Å; Y331-K334 VanDerWaalsContact O-N 3.15Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 2.92Å
335H95.3Very high93.5Very high69 Ų6961.9 Ų61.932%0.31931%0.313SS..SBendtrans-128.826-168.8-6089.1000114.5V280 Y331 E332 G337V280-H335 HydrophobicContact CG1-CB 4.02Å; Y331-H335 HydrophobicContact CD1-CB 4.4Å; Y331-H335 AromaticContact CD1-ND1 3.93Å; Y331-H335 AromaticContact CD2-CE1 3.57Å; Y331-H335 AromaticContact CD2-ND1 3.54Å; Y331-H335 HydrophobicContact CE1-CB 3.96Å; Y331-H335 AromaticContact CE1-CG 3.88Å; Y331-H335 AromaticContact CE1-ND1 3.83Å; Y331-H335 AromaticContact CE2-CE1 3.31Å; Y331-H335 WeakPolarHBondContact CE2-CE1 3.47Å; Y331-H335 AromaticContact CE2-ND1 3.45Å; Y331-H335 WeakPolarHBondContact CE2-ND1 3.49Å; Y331-H335 AromaticContact CE2-NE2 3.77Å; Y331-H335 AromaticContact CG-ND1 3.78Å; Y331-H335 AromaticContact CZ-CD2 3.95Å; Y331-H335 AromaticContact CZ-CE1 3.81Å; Y331-H335 AromaticContact CZ-CG 3.69Å; Y331-H335 AromaticContact CZ-ND1 3.59Å; Y331-H335 WeakPolarHBondContact O-CB 3.45Å; Y331-H335 PolarHBondContact O-N 3.37Å; Y331-H335 PolarHBondContact O-ND1 3.47Å; E332-H335 CarbonylContact O-C 3.49Å; E332-H335 PolarHBondContact O-N 3.12Å; E332-H335 VanDerWaalsContact O-N 3.07Å; H335-G337 VanDerWaalsContact C-N 3.33Å; H335-G337 PolarHBondContact O-N 3.25Å
336L94Very high93.6Very high50 Ų5067.3 Ų67.326%0.26234%0.34SS..  trans-61.3-35.1-179.7-70.9-179.1000114.2F127 L281 E332 G338 F339F127-L336 HydrophobicContact CD1-CD2 3.98Å; F127-L336 HydrophobicContact CE1-CD2 3.71Å; L281-L336 HydrophobicContact CD1-CD2 4.46Å; E332-L336 WeakPolarHBondContact O-CD2 2.95Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.24Å; E332-L336 PolarHBondContact O-N 3.42Å; E332-L336 VanDerWaalsContact O-N 3.08Å; L336-G338 PolarHBondContact O-N 3.36Å; L336-F339 WeakPolarHBondContact O-CA 3.14Å; L336-F339 VanDerWaalsContact O-CB 3.3Å; L336-F339 WeakPolarHBondContact O-CB 3.26Å; L336-F339 PolarHBondContact O-N 3.45Å
337G94.9Very high93.4Very high47 Ų4764.3 Ų64.349%0.48534%0.342SS..THydrogen-bonded Turntrans52.6-129-172.800000113K130 H335 F339K130-G337 PolarHBondContact NZ-O 2.91Å; H335-G337 VanDerWaalsContact C-N 3.33Å; H335-G337 PolarHBondContact O-N 3.25Å; G337-F339 PolarHBondContact O-N 2.87Å
338G96.4Very high93.3Very high17 Ų1758.2 Ų58.218%0.17532%0.316CS..THydrogen-bonded Turntrans-70.4-5173.200000115.2F129 K130 D277 L336F129-G338 WeakPolarHBondContact CD2-O 3.48Å; K130-G338 VanDerWaalsContact CB-O 3.31Å; K130-G338 WeakPolarHBondContact CB-O 3.5Å; K130-G338 WeakPolarHBondContact CD-O 3.35Å; K130-G338 WeakPolarHBondContact CG-O 3.17Å; K130-G338 PolarHBondContact N-O 2.78Å; D277-G338 WeakPolarHBondContact OD2-CA 3.49Å; D277-G338 PolarHBondContact OD2-N 3.4Å; L336-G338 PolarHBondContact O-N 3.36Å
339F98Very high93.3Very high0 Ų063.3 Ų63.30%034%0.34CS..EExtended strand (participates in β ladder)trans-84.2158174.8-70.4-83000113.8L117 F127 M128 F129 K130 L274 D277 T278 L281 L336 G337L117-F339 HydrophobicContact CB-CD1 4.25Å; L117-F339 HydrophobicContact CB-CE1 3.52Å; L117-F339 HydrophobicContact CB-CZ 3.88Å; L117-F339 HydrophobicContact CD2-CE1 4.21Å; L117-F339 HydrophobicContact CD2-CE2 4.19Å; L117-F339 HydrophobicContact CD2-CZ 3.91Å; F127-F339 HydrophobicContact CB-CB 4.16Å; F127-F339 HydrophobicContact CB-CD1 3.7Å; F127-F339 HydrophobicContact CB-CE1 4.47Å; F127-F339 HydrophobicContact CB-CG 4.18Å; F127-F339 HydrophobicContact CD1-CB 4.39Å; M128-F339 CarbonylContact O-C 3.53Å; M128-F339 WeakPolarHBondContact O-CA 3.29Å; F129-F339 HydrophobicContact CB-CD1 4.07Å; F129-F339 HydrophobicContact CB-CE1 3.86Å; F129-F339 HydrophobicContact CB-CZ 4.47Å; F129-F339 AromaticContact CD2-CD1 3.93Å; F129-F339 HydrophobicContact CD2-CD1 3.93Å; F129-F339 AromaticContact CD2-CD2 3.88Å; F129-F339 HydrophobicContact CD2-CD2 3.88Å; F129-F339 AromaticContact CD2-CE1 3.83Å; F129-F339 HydrophobicContact CD2-CE1 3.83Å; F129-F339 AromaticContact CD2-CE2 3.79Å; F129-F339 HydrophobicContact CD2-CE2 3.79Å; F129-F339 AromaticContact CD2-CG 3.96Å; F129-F339 HydrophobicContact CD2-CG 3.96Å; F129-F339 AromaticContact CD2-CZ 3.77Å; F129-F339 HydrophobicContact CD2-CZ 3.77Å; F129-F339 HydrophobicContact CE2-CD2 4.29Å; F129-F339 HydrophobicContact CE2-CE2 4.16Å; F129-F339 HydrophobicContact CE2-CZ 4.48Å; F129-F339 HydrophobicContact CG-CE1 4.29Å; F129-F339 HydrophobicContact CG-CZ 4.47Å; K130-F339 VanDerWaalsContact CE-O 3.23Å; K130-F339 WeakPolarHBondContact CE-O 3.41Å; K130-F339 PolarHBondContact NZ-O 3.31Å; L274-F339 HydrophobicContact CD1-CE1 4.14Å; L274-F339 HydrophobicContact CD1-CZ 3.66Å; D277-F339 HydrophobicContact CB-CD2 3.97Å; D277-F339 HydrophobicContact CB-CE2 3.78Å; T278-F339 WeakPolarHBondContact OG1-CZ 3.18Å; L281-F339 HydrophobicContact CD2-CB 3.96Å; L281-F339 HydrophobicContact CD2-CD2 3.69Å; L281-F339 HydrophobicContact CD2-CE2 4.37Å; L281-F339 HydrophobicContact CD2-CG 3.85Å; L336-F339 WeakPolarHBondContact O-CA 3.14Å; L336-F339 VanDerWaalsContact O-CB 3.3Å; L336-F339 WeakPolarHBondContact O-CB 3.26Å; L336-F339 PolarHBondContact O-N 3.45Å; G337-F339 PolarHBondContact O-N 2.87Å
340K96.6Very high93.4Very high95 Ų9564.6 Ų64.641%0.41334%0.344SS..EExtended strand (participates in β ladder)trans-123.4128.1164.1179.9-177.4179.6-175.20107.9F127 M128 E202 I342F127-K340 CarbonylContact C-O 2.75Å; F127-K340 VanDerWaalsContact CA-O 3.28Å; F127-K340 WeakPolarHBondContact CA-O 3.42Å; M128-K340 PolarHBondContact N-O 3.09Å; M128-K340 PolarHBondContact O-N 2.83Å; E202-K340 WeakPolarHBondContact OE1-CE 3.46Å; E202-K340 IonicContact OE1-NZ 3.4Å; E202-K340 PolarHBondContact OE1-NZ 2.85Å; E202-K340 IonicContact OE2-NZ 3.22Å; K340-I342 HydrophobicContact CG-CG2 4.41Å; K340-I342 PolarHBondContact O-N 3.42Å
341R97Very high93.4Very high79 Ų7959.6 Ų59.630%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-69.6120170-167.3172.374.5-158.32.4108.6F127 E329 P344F127-R341 HydrophobicContact CD1-CB 3.83Å; F127-R341 HydrophobicContact CD1-CG 4.16Å; F127-R341 HydrophobicContact CE1-CB 3.59Å; F127-R341 HydrophobicContact CE1-CG 3.67Å; F127-R341 HydrophobicContact CZ-CB 4.39Å; F127-R341 HydrophobicContact CZ-CG 3.96Å; E329-R341 IonicContact OE1-NH1 3.72Å; R341-P344 PolarHBondContact NE-O 3.23Å
342I96.9Very high93.4Very high0 Ų060.3 Ų60.30%033%0.328CS..EExtended strand (participates in β ladder)trans-105.9-22.2178.768.2169.5000111.8I126 M128 E202 I205 I206 K340 R345I126-I342 HydrophobicContact CB-CG1 3.98Å; I126-I342 HydrophobicContact CG2-CD1 3.8Å; I126-I342 HydrophobicContact CG2-CG1 3.76Å; I126-I342 WeakPolarHBondContact O-CG1 3.42Å; I126-I342 PolarHBondContact O-N 3.23Å; M128-I342 HydrophobicContact CB-CD1 4.27Å; M128-I342 HydrophobicContact CB-CG2 3.78Å; E202-I342 HydrophobicContact CB-CG2 4.45Å; E202-I342 HydrophobicContact CG-CB 4.44Å; E202-I342 HydrophobicContact CG-CG2 3.83Å; I205-I342 HydrophobicContact CB-CD1 3.94Å; I205-I342 HydrophobicContact CD1-CD1 4.45Å; I205-I342 HydrophobicContact CG2-CD1 3.6Å; I206-I342 HydrophobicContact CD1-CB 4.21Å; I206-I342 HydrophobicContact CD1-CD1 4.35Å; I206-I342 HydrophobicContact CD1-CG1 4.27Å; I206-I342 VanDerWaalsContact CD1-O 3.24Å; I206-I342 WeakPolarHBondContact CD1-O 3.31Å; I206-I342 HydrophobicContact CG1-CD1 3.85Å; I206-I342 HydrophobicContact CG1-CG1 4.03Å; K340-I342 HydrophobicContact CG-CG2 4.41Å; K340-I342 PolarHBondContact O-N 3.42Å; I342-R345 WeakPolarHBondContact O-CD 3.37Å; I342-R345 VanDerWaalsContact O-CG 3.29Å; I342-R345 WeakPolarHBondContact O-CG 3.27Å
343Y96.3Very high93.3Very high32 Ų3264.2 Ų64.213%0.12535%0.345CS..EExtended strand (participates in β ladder)trans-148.2134.2169.9-171.1-84.5000110.7F124 R125 I126 I206 Y351 F355F124-Y343 HydrophobicContact CB-CD1 4.4Å; F124-Y343 HydrophobicContact CB-CE1 4.04Å; F124-Y343 HydrophobicContact CD1-CD1 4.19Å; F124-Y343 HydrophobicContact CD1-CE1 4.05Å; F124-Y343 HydrophobicContact CG-CD1 4.46Å; F124-Y343 HydrophobicContact CG-CE1 4.39Å; F124-Y343 VanDerWaalsContact O-CD1 3.32Å; F124-Y343 WeakPolarHBondContact O-CD1 3.48Å; F124-Y343 WeakPolarHBondContact O-CE1 3.33Å; R125-Y343 WeakPolarHBondContact CA-O 3.28Å; I126-Y343 HydrophobicContact CD1-CG 4.38Å; I126-Y343 PolarHBondContact N-O 2.94Å; I126-Y343 PolarHBondContact O-N 3.48Å; I126-Y343 VanDerWaalsContact O-N 3.15Å; I206-Y343 HydrophobicContact CG2-CD2 3.95Å; Y343-Y351 HydrophobicContact CD2-CD2 4.09Å; Y343-Y351 HydrophobicContact CE2-CD2 4.11Å; Y343-Y351 HydrophobicContact CE2-CG 4.49Å; Y343-F355 HydrophobicContact CE1-CZ 4.39Å; Y343-F355 HydrophobicContact CE2-CE2 4.41Å; Y343-F355 HydrophobicContact CE2-CZ 4.46Å; Y343-F355 AromaticContact CZ-CZ 3.87Å; Y343-F355 WeakPolarHBondContact OH-CE2 3.4Å; Y343-F355 WeakPolarHBondContact OH-CZ 3.42Å
344P93.5Very high93.3Very high42 Ų4261.4 Ų61.427%0.27332%0.321SS..SBendcis-67151.7-10.129.9-35.6000112R341R341-P344 PolarHBondContact NE-O 3.23Å
345R91.3Very high92.9Very high75 Ų7556.5 Ų56.528%0.28330%0.299SS..  trans-146161.9176.969.6177.1-117.9-179.61.4110.4N199 E202 I342 G348N199-R345 PolarHBondContact OD1-NH2 2.76Å; E202-R345 IonicContact OE2-NH1 3.77Å; E202-R345 PolarHBondContact OE2-NH1 2.87Å; I342-R345 WeakPolarHBondContact O-CD 3.37Å; I342-R345 VanDerWaalsContact O-CG 3.29Å; I342-R345 WeakPolarHBondContact O-CG 3.27Å; R345-G348 VanDerWaalsContact O-CA 3.27Å; R345-G348 WeakPolarHBondContact O-CA 3.36Å; R345-G348 PolarHBondContact O-N 3.32Å
346D88.6Confident91.9Very high156 Ų15660.7 Ų60.783%0.83432%0.317SS*.THydrogen-bonded Turntrans-60.4140.3176.7-52.1-36.7000111.3G348D346-G348 PolarHBondContact O-N 3.12Å
347G86.3Confident90.4Very high61 Ų6163.2 Ų63.263%0.62933%0.327SS*.THydrogen-bonded Turntrans66.113.3-168.600000114.3E349 K350G347-E349 VanDerWaalsContact C-N 3.25Å; G347-E349 PolarHBondContact O-N 3.04Å; G347-K350 WeakPolarHBondContact O-CG 3.44Å
348G85.9Confident88.4Confident9 Ų961 Ų619%0.09330%0.304CS..G310 helixtrans-66-20.6179.700000114.7R345 D346 K350 Y351R345-G348 VanDerWaalsContact O-CA 3.27Å; R345-G348 WeakPolarHBondContact O-CA 3.36Å; R345-G348 PolarHBondContact O-N 3.32Å; D346-G348 PolarHBondContact O-N 3.12Å; G348-K350 PolarHBondContact O-N 3.32Å; G348-Y351 WeakPolarHBondContact O-CB 3.4Å; G348-Y351 WeakPolarHBondContact O-CD2 3.28Å; G348-Y351 PolarHBondContact O-N 2.71Å
349E89.9Confident86.1Confident160 Ų16063.3 Ų63.375%0.74832%0.318SS*.G310 helixtrans-52.9-25.8178-58.6179.3178.400113.2G347 Y351 D352G347-E349 VanDerWaalsContact C-N 3.25Å; G347-E349 PolarHBondContact O-N 3.04Å; E349-Y351 PolarHBondContact O-N 3.07Å; E349-D352 WeakPolarHBondContact O-CB 3.44Å; E349-D352 PolarHBondContact O-N 3.22Å
350K92.7Very high83.9Confident91 Ų9166 Ų6640%0.39634%0.336SS..G310 helixtrans-55.5-20.8172.573.9174.6176.31460113.6D203 G347 G348 K353D203-K350 IonicContact OD1-NZ 2.84Å; D203-K350 PolarHBondContact OD1-NZ 2.93Å; G347-K350 WeakPolarHBondContact O-CG 3.44Å; G348-K350 PolarHBondContact O-N 3.32Å; K350-K353 WeakPolarHBondContact O-CE 3.32Å
351Y94.2Very high81.9Confident0 Ų063.7 Ų63.70%033%0.328CS..G310 helixtrans-87.2-19.1178.4-62.4-66000113.4D203 I206 K207 I210 Y343 G348 E349 K353 Y354 F355D203-Y351 WeakPolarHBondContact OD1-CE1 3.49Å; D203-Y351 PolarHBondContact OD1-OH 3.39Å; D203-Y351 VanDerWaalsContact OD1-OH 3.07Å; I206-Y351 HydrophobicContact CB-CE1 4.11Å; I206-Y351 HydrophobicContact CD1-CE2 3.81Å; I206-Y351 WeakPolarHBondContact CD1-OH 3.28Å; I206-Y351 HydrophobicContact CG2-CD1 3.67Å; I206-Y351 HydrophobicContact CG2-CD2 3.94Å; I206-Y351 HydrophobicContact CG2-CE1 3.64Å; I206-Y351 HydrophobicContact CG2-CE2 3.87Å; I206-Y351 HydrophobicContact CG2-CG 3.87Å; K207-Y351 HydrophobicContact CG-CD1 4.49Å; K207-Y351 HydrophobicContact CG-CE1 4.26Å; I210-Y351 HydrophobicContact CD1-CD1 4.04Å; I210-Y351 HydrophobicContact CD1-CG 4.11Å; Y343-Y351 HydrophobicContact CD2-CD2 4.09Å; Y343-Y351 HydrophobicContact CE2-CD2 4.11Å; Y343-Y351 HydrophobicContact CE2-CG 4.49Å; G348-Y351 WeakPolarHBondContact O-CB 3.4Å; G348-Y351 WeakPolarHBondContact O-CD2 3.28Å; G348-Y351 PolarHBondContact O-N 2.71Å; E349-Y351 PolarHBondContact O-N 3.07Å; Y351-K353 VanDerWaalsContact C-N 3.25Å; Y351-K353 PolarHBondContact O-N 3.12Å; Y351-Y354 AromaticContact CD1-CD2 3.95Å; Y351-Y354 HydrophobicContact CD1-CD2 3.95Å; Y351-Y354 AromaticContact CD1-CE2 3.71Å; Y351-Y354 HydrophobicContact CD1-CE2 3.71Å; Y351-Y354 HydrophobicContact CE1-CE2 4.49Å; Y351-Y354 WeakPolarHBondContact O-CB 3.4Å; Y351-Y354 VanDerWaalsContact O-CD2 3.31Å; Y351-Y354 WeakPolarHBondContact O-CD2 3.39Å; Y351-Y354 PolarHBondContact O-N 3.22Å; Y351-F355 WeakPolarHBondContact O-CD2 3.44Å
352D92Very high79.7Confident71 Ų7162.1 Ų62.138%0.3832%0.324SS..Hα-helixtrans-60.3-34.6-172.4-67-8.6000113E349 Y354 F355E349-D352 WeakPolarHBondContact O-CB 3.44Å; E349-D352 PolarHBondContact O-N 3.22Å; D352-Y354 PolarHBondContact O-N 3.44Å; D352-F355 PolarHBondContact O-N 3.02Å
353K91.8Very high77.4Confident84 Ų8467.8 Ų67.837%0.36535%0.35SS..Hα-helixtrans-56.6-28.9174.260.4176.3172.1162.70113.1D36 K350 Y351 H357D36-K353 IonicContact OD1-NZ 2.64Å; D36-K353 IonicContact OD2-NZ 3.58Å; D36-K353 PolarHBondContact OD2-NZ 3Å; K350-K353 WeakPolarHBondContact O-CE 3.32Å; Y351-K353 VanDerWaalsContact C-N 3.25Å; Y351-K353 PolarHBondContact O-N 3.12Å; K353-H357 PolarHBondContact O-CD2 2.9Å
354Y91.5Very high75.1Confident7 Ų772.8 Ų72.83%0.02738%0.375CS..Hα-helixtrans-79.3-27-178.9-52.2-47.5000112.9F33 D36 Y37 K207 I210 Y351 D352F33-Y354 HydrophobicContact CB-CE1 4.21Å; F33-Y354 AromaticContact CD1-CD1 3.93Å; F33-Y354 HydrophobicContact CD1-CD1 3.93Å; F33-Y354 AromaticContact CD1-CE1 3.86Å; F33-Y354 HydrophobicContact CD1-CE1 3.86Å; F33-Y354 AromaticContact CD2-CD1 3.74Å; F33-Y354 HydrophobicContact CD2-CD1 3.74Å; F33-Y354 HydrophobicContact CD2-CE1 4.17Å; F33-Y354 AromaticContact CE1-CD1 3.93Å; F33-Y354 HydrophobicContact CE1-CD1 3.93Å; F33-Y354 HydrophobicContact CE1-CE1 4.25Å; F33-Y354 AromaticContact CE2-CD1 3.76Å; F33-Y354 HydrophobicContact CE2-CD1 3.76Å; F33-Y354 AromaticContact CG-CD1 3.84Å; F33-Y354 HydrophobicContact CG-CD1 3.84Å; F33-Y354 AromaticContact CG-CE1 3.81Å; F33-Y354 HydrophobicContact CG-CE1 3.81Å; F33-Y354 AromaticContact CZ-CD1 3.84Å; F33-Y354 HydrophobicContact CZ-CD1 3.84Å; D36-Y354 HydrophobicContact CB-CE1 4.04Å; D36-Y354 VanDerWaalsContact CB-OH 3.23Å; D36-Y354 WeakPolarHBondContact CB-OH 3.4Å; D36-Y354 PolarHBondContact OD2-OH 2.92Å; D36-Y354 VanDerWaalsContact OD2-OH 3.09Å; Y37-Y354 HydrophobicContact CD2-CD1 4.49Å; Y37-Y354 HydrophobicContact CD2-CE1 4.25Å; Y37-Y354 AromaticContact CE2-CD1 3.63Å; Y37-Y354 HydrophobicContact CE2-CD1 3.63Å; Y37-Y354 HydrophobicContact CE2-CD2 4.3Å; Y37-Y354 AromaticContact CE2-CE1 3.7Å; Y37-Y354 HydrophobicContact CE2-CE1 3.7Å; Y37-Y354 HydrophobicContact CE2-CE2 4.39Å; Y37-Y354 AromaticContact CE2-CG 3.95Å; Y37-Y354 HydrophobicContact CE2-CG 3.95Å; K207-Y354 HydrophobicContact CG-CE2 4.23Å; I210-Y354 HydrophobicContact CD1-CD2 4.33Å; Y351-Y354 AromaticContact CD1-CD2 3.95Å; Y351-Y354 HydrophobicContact CD1-CD2 3.95Å; Y351-Y354 AromaticContact CD1-CE2 3.71Å; Y351-Y354 HydrophobicContact CD1-CE2 3.71Å; Y351-Y354 HydrophobicContact CE1-CE2 4.49Å; Y351-Y354 WeakPolarHBondContact O-CB 3.4Å; Y351-Y354 VanDerWaalsContact O-CD2 3.31Å; Y351-Y354 WeakPolarHBondContact O-CD2 3.39Å; Y351-Y354 PolarHBondContact O-N 3.22Å; D352-Y354 PolarHBondContact O-N 3.44Å
355F87.4Confident73.3Confident41 Ų4173.4 Ų73.418%0.1838%0.377CS..Hα-helixtrans-72.3-36176.5-65.8-90.7000112F124 I210 H213 Y343 Y351 D352 H357 S358F124-F355 AromaticContact CD1-CE1 3.88Å; F124-F355 HydrophobicContact CD1-CE1 3.88Å; F124-F355 AromaticContact CD1-CZ 3.86Å; F124-F355 HydrophobicContact CD1-CZ 3.86Å; F124-F355 HydrophobicContact CE1-CE1 4.23Å; F124-F355 HydrophobicContact CE1-CZ 4.3Å; I210-F355 HydrophobicContact CD1-CE2 3.74Å; I210-F355 HydrophobicContact CD1-CZ 3.87Å; I210-F355 HydrophobicContact CG1-CE1 4.08Å; I210-F355 HydrophobicContact CG1-CE2 3.97Å; I210-F355 HydrophobicContact CG1-CZ 3.6Å; I210-F355 HydrophobicContact CG2-CD1 4.23Å; I210-F355 HydrophobicContact CG2-CD2 4.36Å; I210-F355 HydrophobicContact CG2-CE1 4.22Å; I210-F355 HydrophobicContact CG2-CE2 4.37Å; I210-F355 HydrophobicContact CG2-CG 4.32Å; I210-F355 HydrophobicContact CG2-CZ 4.31Å; H213-F355 HydrophobicContact CB-CE1 4.23Å; H213-F355 AromaticContact CE1-CE1 3.95Å; H213-F355 AromaticContact CG-CE1 3.74Å; H213-F355 AromaticContact ND1-CD1 3.52Å; H213-F355 AromaticContact ND1-CE1 3.55Å; Y343-F355 HydrophobicContact CE1-CZ 4.39Å; Y343-F355 HydrophobicContact CE2-CE2 4.41Å; Y343-F355 HydrophobicContact CE2-CZ 4.46Å; Y343-F355 AromaticContact CZ-CZ 3.87Å; Y343-F355 WeakPolarHBondContact OH-CE2 3.4Å; Y343-F355 WeakPolarHBondContact OH-CZ 3.42Å; Y351-F355 WeakPolarHBondContact O-CD2 3.44Å; D352-F355 PolarHBondContact O-N 3.02Å; F355-H357 PolarHBondContact O-N 2.9Å; F355-S358 WeakPolarHBondContact O-CB 3.47Å; F355-S358 PolarHBondContact O-N 3.37Å; F355-S358 VanDerWaalsContact O-N 3.12Å
356K74.9Confident71.3Confident158 Ų15873.9 Ų73.969%0.68740%0.397SS*.Hα-helixtrans-59.9-43-173.8-66.8-180-178179.70113.9S358 S359K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.18Å; K356-S359 PolarHBondContact O-OG 3.16Å
357H61.9Low69.5Low103 Ų10369.1 Ų69.148%0.47738%0.38SS..G310 helixtrans-81.4-7.9-179.6-65.8-84.6000113.7L32 F33 K353 F355 S359L32-H357 HydrophobicContact CD1-CB 4.26Å; F33-H357 HydrophobicContact CZ-CB 4.37Å; F33-H357 AromaticContact CZ-CD2 3.7Å; K353-H357 PolarHBondContact O-CD2 2.9Å; F355-H357 PolarHBondContact O-N 2.9Å; H357-S359 VanDerWaalsContact C-N 3.29Å; H357-S359 PolarHBondContact O-N 3Å
358S54Low67.6Low1 Ų167.2 Ų67.21%0.00736%0.357CS..G310 helixtrans-80.1-15.8-173.7-128.60000111.9P214 F355 K356 S360P214-S358 WeakPolarHBondContact CG-O 3.25Å; P214-S358 WeakPolarHBondContact CG-OG 3.21Å; F355-S358 WeakPolarHBondContact O-CB 3.47Å; F355-S358 PolarHBondContact O-N 3.37Å; F355-S358 VanDerWaalsContact O-N 3.12Å; K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.18Å; S358-S360 VanDerWaalsContact C-N 3.35Å; S358-S360 PolarHBondContact O-N 2.77Å
359S46.5Very low66.4Low65 Ų6572.2 Ų72.246%0.45538%0.376SS..G310 helixtrans-61.4-31174-38.30000115K356 H357 L361 F362K356-S359 PolarHBondContact O-OG 3.16Å; H357-S359 VanDerWaalsContact C-N 3.29Å; H357-S359 PolarHBondContact O-N 3Å; S359-L361 PolarHBondContact O-N 2.95Å; S359-F362 PolarHBondContact O-N 3.34Å
360S52.2Low65.2Low55 Ų5567.3 Ų67.339%0.38536%0.363SS..Hα-helixtrans-61.9-28.2-174.6153.40000113.1S358 F362 Q363S358-S360 VanDerWaalsContact C-N 3.35Å; S358-S360 PolarHBondContact O-N 2.77Å; S360-F362 PolarHBondContact O-N 2.71Å; S360-F362 VanDerWaalsContact O-N 3.12Å; S360-Q363 PolarHBondContact O-N 3.02Å
361L54.7Low64.2Low48 Ų4869.1 Ų69.125%0.25137%0.367SS..Hα-helixtrans-51.4-36.6177.7-79.6169.8000113.8P214 I215 S359P214-L361 HydrophobicContact CB-CD1 4.5Å; P214-L361 HydrophobicContact CG-CD1 4.47Å; I215-L361 HydrophobicContact CD1-CD1 3.89Å; I215-L361 HydrophobicContact CG1-CD1 4Å; S359-L361 PolarHBondContact O-N 2.95Å
362F52.2Low62.8Low46 Ų4675.1 Ų75.120%0.20240%0.396CS..Hα-helixtrans-90.8-39-176.4-75.4-73.6000112.8P214 I215 H218 S359 S360 E364 T365 S368P214-F362 HydrophobicContact CB-CE2 4.11Å; P214-F362 WeakPolarHBondContact O-CE2 3.23Å; I215-F362 HydrophobicContact CB-CE2 4.5Å; I215-F362 HydrophobicContact CB-CZ 4.23Å; I215-F362 HydrophobicContact CG1-CE2 3.89Å; I215-F362 HydrophobicContact CG1-CZ 3.8Å; I215-F362 HydrophobicContact CG2-CZ 4.45Å; H218-F362 HydrophobicContact CB-CE1 4.08Å; H218-F362 HydrophobicContact CB-CE2 3.83Å; H218-F362 HydrophobicContact CB-CZ 3.55Å; H218-F362 AromaticContact CD2-CD1 3.99Å; H218-F362 AromaticContact CD2-CE1 3.27Å; H218-F362 WeakPolarHBondContact CD2-CE1 3.21Å; H218-F362 AromaticContact CD2-CZ 3.63Å; H218-F362 AromaticContact CG-CE1 3.67Å; H218-F362 AromaticContact CG-CZ 3.69Å; H218-F362 AromaticContact NE2-CE1 3.86Å; S359-F362 PolarHBondContact O-N 3.34Å; S360-F362 PolarHBondContact O-N 2.71Å; S360-F362 VanDerWaalsContact O-N 3.12Å; F362-E364 PolarHBondContact O-N 3.47Å; F362-E364 VanDerWaalsContact O-N 3.14Å; F362-T365 PolarHBondContact O-N 2.67Å; F362-T365 VanDerWaalsContact O-N 3.08Å; F362-T365 PolarHBondContact O-OG1 3.19Å; F362-S368 WeakPolarHBondContact O-CB 3.35Å; F362-S368 PolarHBondContact O-OG 3.2Å
363Q48.6Very low62Low118 Ų11876.8 Ų76.855%0.55140%0.401SS*.Hα-helixtrans-56.6-31.5-177-69.2175.2-42.900113S360S360-Q363 PolarHBondContact O-N 3.02Å
364E46.6Very low61.2Low138 Ų13876 Ų7665%0.64541%0.405SS*.THydrogen-bonded Turntrans-84.2-17-178.7-68.1-171.6-173.600114.9F362 K369F362-E364 PolarHBondContact O-N 3.47Å; F362-E364 VanDerWaalsContact O-N 3.14Å; E364-K369 WeakPolarHBondContact O-CE 3.43Å; E364-K369 PolarHBondContact O-NZ 3Å
365T57Low60.5Low54 Ų5477.7 Ų77.733%0.33142%0.421SS..SBendtrans-65.6139.8-177.563.90000111.9F362 A367 S368 K369F362-T365 PolarHBondContact O-N 2.67Å; F362-T365 VanDerWaalsContact O-N 3.08Å; F362-T365 PolarHBondContact O-OG1 3.19Å; T365-A367 PolarHBondContact O-N 3.05Å; T365-S368 PolarHBondContact O-N 2.93Å; T365-S368 VanDerWaalsContact OG1-CB 3.23Å; T365-S368 WeakPolarHBondContact OG1-CB 3.44Å; T365-S368 PolarHBondContact OG1-N 3.31Å; T365-K369 PolarHBondContact O-N 3.04Å
366A48.2Very low60.3Low85 Ų8583 Ų8370%0.70244%0.439SS*.Hα-helixtrans-55.4-37.6177.900000112.4K369 A370A366-K369 PolarHBondContact O-N 3.48Å; A366-A370 VanDerWaalsContact O-CB 3.3Å; A366-A370 WeakPolarHBondContact O-CB 3.44Å; A366-A370 PolarHBondContact O-N 3.3Å
367A49.9Very low60.7Low56 Ų5679.8 Ų79.846%0.46343%0.429SS..Hα-helixtrans-67.5-34.1175.200000113.3T365 R371T365-A367 PolarHBondContact O-N 3.05Å; A367-R371 WeakPolarHBondContact O-CB 3.28Å; A367-R371 VanDerWaalsContact O-CG 3.27Å; A367-R371 WeakPolarHBondContact O-CG 3.47Å; A367-R371 PolarHBondContact O-N 2.95Å; A367-R371 VanDerWaalsContact O-N 3.09Å; A367-R371 PolarHBondContact O-NE 2.96Å
368S47.7Very low61.4Low22 Ų2280.3 Ų80.315%0.15443%0.432CS..Hα-helixtrans-71.7-44.3174-1620000111.6F362 T365 A370 R371 E372F362-S368 WeakPolarHBondContact O-CB 3.35Å; F362-S368 PolarHBondContact O-OG 3.2Å; T365-S368 PolarHBondContact O-N 2.93Å; T365-S368 VanDerWaalsContact OG1-CB 3.23Å; T365-S368 WeakPolarHBondContact OG1-CB 3.44Å; T365-S368 PolarHBondContact OG1-N 3.31Å; S368-A370 VanDerWaalsContact C-N 3.34Å; S368-A370 PolarHBondContact O-N 3.22Å; S368-R371 PolarHBondContact O-N 3.2Å; S368-E372 WeakPolarHBondContact O-CB 2.94Å; S368-E372 PolarHBondContact O-N 3.1Å
369K59.7Low62.6Low113 Ų11384.9 Ų84.949%0.49146%0.456SS..Hα-helixtrans-59-44.7176.1-71171.5175.5157.70111.6E364 T365 A366 R371 E372 E373E364-K369 WeakPolarHBondContact O-CE 3.43Å; E364-K369 PolarHBondContact O-NZ 3Å; T365-K369 PolarHBondContact O-N 3.04Å; A366-K369 PolarHBondContact O-N 3.48Å; K369-R371 PolarHBondContact O-N 2.79Å; K369-E372 PolarHBondContact O-N 2.82Å; K369-E373 WeakPolarHBondContact O-CB 3.44Å; K369-E373 PolarHBondContact O-N 3.42Å
370A65.1Low64.3Low58 Ų5887 Ų8748%0.47946%0.459SS..Hα-helixtrans-63.6-38.9175.100000113.1A366 S368 C374A366-A370 VanDerWaalsContact O-CB 3.3Å; A366-A370 WeakPolarHBondContact O-CB 3.44Å; A366-A370 PolarHBondContact O-N 3.3Å; S368-A370 VanDerWaalsContact C-N 3.34Å; S368-A370 PolarHBondContact O-N 3.22Å; A370-C374 WeakPolarHBondContact O-CB 3.36Å; A370-C374 PolarHBondContact O-N 3.44Å
371R71.1Confident65.8Low128 Ų12889 Ų8948%0.48346%0.462SS..Hα-helixtrans-67.6-41.3174.7-76.7-178.5-59.1-129.33.9112.4A367 S368 K369 C374 A375A367-R371 WeakPolarHBondContact O-CB 3.28Å; A367-R371 VanDerWaalsContact O-CG 3.27Å; A367-R371 WeakPolarHBondContact O-CG 3.47Å; A367-R371 PolarHBondContact O-N 2.95Å; A367-R371 VanDerWaalsContact O-N 3.09Å; A367-R371 PolarHBondContact O-NE 2.96Å; S368-R371 PolarHBondContact O-N 3.2Å; K369-R371 PolarHBondContact O-N 2.79Å; R371-C374 PolarHBondContact O-N 2.99Å; R371-A375 VanDerWaalsContact O-CB 3.28Å; R371-A375 WeakPolarHBondContact O-CB 3.46Å; R371-A375 PolarHBondContact O-N 3.08Å
372E66.7Low67Low127 Ų12791.9 Ų91.959%0.59348%0.477SS*.Hα-helixtrans-67-42.5178.6-174.4170.4-171.400111.3S368 K369 A375 R376S368-E372 WeakPolarHBondContact O-CB 2.94Å; S368-E372 PolarHBondContact O-N 3.1Å; K369-E372 PolarHBondContact O-N 2.82Å; E372-A375 PolarHBondContact O-N 3.08Å; E372-R376 WeakPolarHBondContact O-CB 3.39Å; E372-R376 PolarHBondContact O-N 3.38Å
373E73.3Confident68.5Low105 Ų10597.3 Ų97.349%0.49150%0.496SS..Hα-helixtrans-64.1-45.1173.1-177.9164.4-139.900112.1K369 R376 L377K369-E373 WeakPolarHBondContact O-CB 3.44Å; K369-E373 PolarHBondContact O-N 3.42Å; E373-R376 WeakPolarHBondContact O-CB 3.27Å; E373-R376 PolarHBondContact O-N 3.34Å; E373-R376 IonicContact OE1-NH2 2.65Å; E373-L377 HydrophobicContact CG-CD1 4.19Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.28Å; E373-L377 PolarHBondContact O-N 3.14Å
374C75.9Confident70.2Confident67 Ų6796.3 Ų96.345%0.45349%0.494SS..Hα-helixtrans-61.6-43.9175.8-175.60000112.1A370 R371 R376 L377 Q378A370-C374 WeakPolarHBondContact O-CB 3.36Å; A370-C374 PolarHBondContact O-N 3.44Å; R371-C374 PolarHBondContact O-N 2.99Å; C374-R376 PolarHBondContact O-N 3.14Å; C374-L377 PolarHBondContact O-N 2.77Å; C374-Q378 PolarHBondContact O-N 3.04Å
375A77.8Confident71.9Confident43 Ų4394.7 Ų94.736%0.35549%0.485SS..Hα-helixtrans-63.9-39.1175.500000112.1R371 E372 Q378 L379R371-A375 VanDerWaalsContact O-CB 3.28Å; R371-A375 WeakPolarHBondContact O-CB 3.46Å; R371-A375 PolarHBondContact O-N 3.08Å; E372-A375 PolarHBondContact O-N 3.08Å; A375-Q378 PolarHBondContact O-N 3.45Å; A375-L379 VanDerWaalsContact O-CD1 3.29Å; A375-L379 WeakPolarHBondContact O-CD1 3.3Å; A375-L379 PolarHBondContact O-N 3.19Å
376R81.9Confident73Confident152 Ų15298.4 Ų98.457%0.57450%0.499SS*.Hα-helixtrans-62.2-45174-175-175.767.5157.9-2.1111.5E372 E373 C374 L379 Q380E372-R376 WeakPolarHBondContact O-CB 3.39Å; E372-R376 PolarHBondContact O-N 3.38Å; E373-R376 WeakPolarHBondContact O-CB 3.27Å; E373-R376 PolarHBondContact O-N 3.34Å; E373-R376 IonicContact OE1-NH2 2.65Å; C374-R376 PolarHBondContact O-N 3.14Å; R376-L379 PolarHBondContact O-N 2.92Å; R376-Q380 WeakPolarHBondContact O-CB 3.27Å; R376-Q380 PolarHBondContact O-N 3.07Å
377L82.8Confident74.6Confident91 Ų9198.6 Ų98.648%0.47649%0.485SS..Hα-helixtrans-63.2-44176.4-70.3169.2000111.4E373 C374 L379 Q380 E381E373-L377 HydrophobicContact CG-CD1 4.19Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.28Å; E373-L377 PolarHBondContact O-N 3.14Å; C374-L377 PolarHBondContact O-N 2.77Å; L377-L379 PolarHBondContact O-N 3.36Å; L377-Q380 PolarHBondContact O-N 3.39Å; L377-E381 PolarHBondContact O-N 2.98Å
378Q78.2Confident75.9Confident114 Ų114101.2 Ų101.253%0.53349%0.487SS..Hα-helixtrans-61.5-42.2174.6-78-174.5-22.900112.9C374 A375 Q380 E381 L382C374-Q378 PolarHBondContact O-N 3.04Å; A375-Q378 PolarHBondContact O-N 3.45Å; Q378-Q380 VanDerWaalsContact C-N 3.29Å; Q378-Q380 PolarHBondContact O-N 3.13Å; Q378-E381 PolarHBondContact O-N 3.19Å; Q378-L382 WeakPolarHBondContact O-CB 3.37Å; Q378-L382 VanDerWaalsContact O-CG 3.3Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 2.92Å
379L78.3Confident77.3Confident98 Ų98105 Ų10551%0.51351%0.506SS..Hα-helixtrans-63.4-36.7174.6-99.483000112A375 R376 L377 R383A375-L379 VanDerWaalsContact O-CD1 3.29Å; A375-L379 WeakPolarHBondContact O-CD1 3.3Å; A375-L379 PolarHBondContact O-N 3.19Å; R376-L379 PolarHBondContact O-N 2.92Å; L377-L379 PolarHBondContact O-N 3.36Å; L379-R383 WeakPolarHBondContact O-CG 3.45Å; L379-R383 PolarHBondContact O-N 2.95Å
380Q82.1Confident78.2Confident108 Ų108104.6 Ų104.651%0.50551%0.506SS..Hα-helixtrans-69-42.2177.3-171.5170.7-1.400111.5R376 L377 Q378 R383 L384R376-Q380 WeakPolarHBondContact O-CB 3.27Å; R376-Q380 PolarHBondContact O-N 3.07Å; L377-Q380 PolarHBondContact O-N 3.39Å; Q378-Q380 VanDerWaalsContact C-N 3.29Å; Q378-Q380 PolarHBondContact O-N 3.13Å; Q380-R383 PolarHBondContact O-N 3.23Å; Q380-L384 HydrophobicContact CG-CD1 4.42Å; Q380-L384 WeakPolarHBondContact O-CG 3.33Å; Q380-L384 PolarHBondContact O-N 3.39Å
381E84.4Confident78.7Confident99 Ų99109.2 Ų109.246%0.46351%0.511SS..Hα-helixtrans-62.9-42.7174.4-165-164.7148.400111.9L377 Q378 R383 L384 K385L377-E381 PolarHBondContact O-N 2.98Å; Q378-E381 PolarHBondContact O-N 3.19Å; E381-R383 PolarHBondContact O-N 3.45Å; E381-L384 PolarHBondContact O-N 3.01Å; E381-K385 HydrophobicContact CG-CD 4.45Å; E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 WeakPolarHBondContact O-CG 3.47Å; E381-K385 PolarHBondContact O-N 3.05Å; E381-K385 WeakPolarHBondContact OE1-CE 3.48Å; E381-K385 IonicContact OE1-NZ 3.74Å; E381-K385 PolarHBondContact OE1-NZ 3.44Å
382L80.1Confident78.8Confident107 Ų107108.5 Ų108.556%0.5651%0.513SS*.Hα-helixtrans-63-40.1175.8-75.9169000112.3Q378 K385 Q386Q378-L382 WeakPolarHBondContact O-CB 3.37Å; Q378-L382 VanDerWaalsContact O-CG 3.3Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 2.92Å; L382-K385 PolarHBondContact O-N 2.79Å; L382-Q386 WeakPolarHBondContact O-CG 3.31Å; L382-Q386 PolarHBondContact O-N 3.48Å
383R84.1Confident78.9Confident161 Ų161107.5 Ų107.561%0.60851%0.511SS*.Hα-helixtrans-64.8-45.3174-77.3176.5-179.6171.91111.9L379 Q380 E381 K385 Q386 E387L379-R383 WeakPolarHBondContact O-CG 3.45Å; L379-R383 PolarHBondContact O-N 2.95Å; Q380-R383 PolarHBondContact O-N 3.23Å; E381-R383 PolarHBondContact O-N 3.45Å; R383-K385 VanDerWaalsContact C-N 3.33Å; R383-K385 PolarHBondContact O-N 3.09Å; R383-Q386 PolarHBondContact O-N 2.92Å; R383-Q386 VanDerWaalsContact O-N 3.14Å; R383-E387 PolarHBondContact O-N 3.47Å
384L82.9Confident78.7Confident97 Ų97108.2 Ų108.251%0.50851%0.513SS..Hα-helixtrans-60.8-42.3176.8-72.3169.4000111.4Q380 E381 Q386 E387 E388Q380-L384 HydrophobicContact CG-CD1 4.42Å; Q380-L384 WeakPolarHBondContact O-CG 3.33Å; Q380-L384 PolarHBondContact O-N 3.39Å; E381-L384 PolarHBondContact O-N 3.01Å; L384-Q386 PolarHBondContact O-N 2.87Å; L384-E387 PolarHBondContact O-N 3.49Å; L384-E388 VanDerWaalsContact O-CB 3.27Å; L384-E388 WeakPolarHBondContact O-CB 3.29Å; L384-E388 PolarHBondContact O-N 3.17Å
385K83.1Confident78.2Confident104 Ų104108.2 Ų108.245%0.45251%0.51SS..Hα-helixtrans-64.5-35.8173.3-77.9172.7170.31690113.2E381 L382 R383 N389E381-K385 HydrophobicContact CG-CD 4.45Å; E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 WeakPolarHBondContact O-CG 3.47Å; E381-K385 PolarHBondContact O-N 3.05Å; E381-K385 WeakPolarHBondContact OE1-CE 3.48Å; E381-K385 IonicContact OE1-NZ 3.74Å; E381-K385 PolarHBondContact OE1-NZ 3.44Å; L382-K385 PolarHBondContact O-N 2.79Å; R383-K385 VanDerWaalsContact C-N 3.33Å; R383-K385 PolarHBondContact O-N 3.09Å; K385-N389 VanDerWaalsContact O-CB 3.27Å; K385-N389 WeakPolarHBondContact O-CB 3.46Å; K385-N389 PolarHBondContact O-N 3.35Å; K385-N389 PolarHBondContact O-ND2 2.88Å
386Q79.5Confident77.3Confident132 Ų132110 Ų11062%0.61751%0.514SS*.Hα-helixtrans-67-45172.4-79.2-178.8-36.200111.8L382 R383 L384 N389 E390L382-Q386 WeakPolarHBondContact O-CG 3.31Å; L382-Q386 PolarHBondContact O-N 3.48Å; R383-Q386 PolarHBondContact O-N 2.92Å; R383-Q386 VanDerWaalsContact O-N 3.14Å; L384-Q386 PolarHBondContact O-N 2.87Å; Q386-N389 PolarHBondContact O-N 3.48Å; Q386-E390 WeakPolarHBondContact O-CB 3.35Å; Q386-E390 PolarHBondContact O-N 3.38Å
387E81.8Confident76.1Confident88 Ų88111.5 Ų111.541%0.41152%0.52SS..Hα-helixtrans-63.3-39.6175-74.9-175-144.500112.5R383 L384 E390 R391R383-E387 PolarHBondContact O-N 3.47Å; L384-E387 PolarHBondContact O-N 3.49Å; E387-E390 PolarHBondContact O-N 3.31Å; E387-R391 WeakPolarHBondContact O-CB 3.16Å; E387-R391 WeakPolarHBondContact O-CG 3.29Å; E387-R391 PolarHBondContact O-N 3.49Å; E387-R391 IonicContact OE2-CZ 3.85Å; E387-R391 IonicContact OE2-NH2 2.82Å; E387-R391 PolarHBondContact OE2-NH2 2.88Å
388E78.4Confident74.8Confident111 Ų111115.8 Ų115.852%0.51953%0.53SS..Hα-helixtrans-66.8-44.8177-172.9169.6-146.800111L384 E390 R391 H392L384-E388 VanDerWaalsContact O-CB 3.27Å; L384-E388 WeakPolarHBondContact O-CB 3.29Å; L384-E388 PolarHBondContact O-N 3.17Å; E388-E390 PolarHBondContact O-N 3.27Å; E388-R391 PolarHBondContact O-N 3.49Å; E388-H392 WeakPolarHBondContact O-CB 3.48Å; E388-H392 PolarHBondContact O-CD2 3.24Å; E388-H392 PolarHBondContact O-N 3.08Å
389N75.7Confident73.8Confident102 Ų102118.7 Ų118.755%0.54554%0.536SS..Hα-helixtrans-60.6-42.1171.8-77.3-23.6000112K385 Q386 H392 L393K385-N389 VanDerWaalsContact O-CB 3.27Å; K385-N389 WeakPolarHBondContact O-CB 3.46Å; K385-N389 PolarHBondContact O-N 3.35Å; K385-N389 PolarHBondContact O-ND2 2.88Å; Q386-N389 PolarHBondContact O-N 3.48Å; N389-H392 PolarHBondContact O-N 2.85Å; N389-L393 WeakPolarHBondContact O-CB 3.34Å; N389-L393 WeakPolarHBondContact O-CD1 3.32Å; N389-L393 VanDerWaalsContact O-CG 3.27Å; N389-L393 WeakPolarHBondContact O-CG 3.22Å; N389-L393 PolarHBondContact O-N 2.78Å
390E78.8Confident72.6Confident105 Ų105120.9 Ų120.949%0.49154%0.543SS..Hα-helixtrans-63.2-40173.6-86-161.2-158.300112.7Q386 E387 E388 L393 K394Q386-E390 WeakPolarHBondContact O-CB 3.35Å; Q386-E390 PolarHBondContact O-N 3.38Å; E387-E390 PolarHBondContact O-N 3.31Å; E388-E390 PolarHBondContact O-N 3.27Å; E390-L393 PolarHBondContact O-N 3.22Å; E390-K394 WeakPolarHBondContact O-CB 3.47Å; E390-K394 WeakPolarHBondContact O-CD 3.33Å; E390-K394 VanDerWaalsContact O-CG 3.24Å; E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 IonicContact OE2-NZ 2.73Å; E390-K394 PolarHBondContact OE2-NZ 3.35Å
391R75.6Confident71.2Confident154 Ų154121 Ų12158%0.58155%0.551SS**Hα-helixtrans-65.5-43.2175.4-72.1166.6-160-155.510.2110.4E387 E388 K394 V395E387-R391 WeakPolarHBondContact O-CB 3.16Å; E387-R391 WeakPolarHBondContact O-CG 3.29Å; E387-R391 PolarHBondContact O-N 3.49Å; E387-R391 IonicContact OE2-CZ 3.85Å; E387-R391 IonicContact OE2-NH2 2.82Å; E387-R391 PolarHBondContact OE2-NH2 2.88Å; E388-R391 PolarHBondContact O-N 3.49Å; R391-K394 CarbonylContact O-C 3.47Å; R391-K394 PolarHBondContact O-N 3.18Å; R391-V395 WeakPolarHBondContact O-CB 3.43Å; R391-V395 VanDerWaalsContact O-CG2 3.27Å; R391-V395 WeakPolarHBondContact O-CG2 3.32Å; R391-V395 PolarHBondContact O-N 3.09Å
392H73.1Confident69.4Low114 Ų114123.8 Ų123.853%0.52857%0.565SS.*Hα-helixtrans-61.8-43.3173.7-88.8-114.4000112.1E388 N389 K394 V395 N396E388-H392 WeakPolarHBondContact O-CB 3.48Å; E388-H392 PolarHBondContact O-CD2 3.24Å; E388-H392 PolarHBondContact O-N 3.08Å; N389-H392 PolarHBondContact O-N 2.85Å; H392-K394 PolarHBondContact O-N 3.15Å; H392-V395 PolarHBondContact O-N 3.45Å; H392-N396 WeakPolarHBondContact O-CB 3.3Å; H392-N396 PolarHBondContact O-N 3.24Å
393L70.2Confident67.9Low106 Ų106121.9 Ų121.956%0.55557%0.57SS**Hα-helixtrans-62.7-40.9174-75.3162.3000112N389 E390 R397N389-L393 WeakPolarHBondContact O-CB 3.34Å; N389-L393 WeakPolarHBondContact O-CD1 3.32Å; N389-L393 VanDerWaalsContact O-CG 3.27Å; N389-L393 WeakPolarHBondContact O-CG 3.22Å; N389-L393 PolarHBondContact O-N 2.78Å; E390-L393 PolarHBondContact O-N 3.22Å; L393-R397 WeakPolarHBondContact O-CG 3.45Å; L393-R397 PolarHBondContact O-N 2.91Å
394K68.6Low66.1Low119 Ų119122.6 Ų122.652%0.51758%0.58SS.*Hα-helixtrans-69-34.1175.2-74.2161.3179.7157.60112.4E390 R391 H392 R398E390-K394 WeakPolarHBondContact O-CB 3.47Å; E390-K394 WeakPolarHBondContact O-CD 3.33Å; E390-K394 VanDerWaalsContact O-CG 3.24Å; E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 IonicContact OE2-NZ 2.73Å; E390-K394 PolarHBondContact OE2-NZ 3.35Å; R391-K394 CarbonylContact O-C 3.47Å; R391-K394 PolarHBondContact O-N 3.18Å; H392-K394 PolarHBondContact O-N 3.15Å; K394-R398 WeakPolarHBondContact O-CB 3.43Å; K394-R398 WeakPolarHBondContact O-CG 3.19Å; K394-R398 PolarHBondContact O-N 3.34Å; K394-R398 VanDerWaalsContact O-N 3.12Å
395V65.4Low64.4Low67 Ų67124.7 Ų124.741%0.40660%0.597SS.*Hα-helixtrans-73.9-40.5175.6167.70000111.5R391 H392 R398 R399R391-V395 WeakPolarHBondContact O-CB 3.43Å; R391-V395 VanDerWaalsContact O-CG2 3.27Å; R391-V395 WeakPolarHBondContact O-CG2 3.32Å; R391-V395 PolarHBondContact O-N 3.09Å; H392-V395 PolarHBondContact O-N 3.45Å; V395-R398 PolarHBondContact O-N 2.92Å; V395-R399 WeakPolarHBondContact O-CG 3.48Å; V395-R399 PolarHBondContact O-N 3.27Å
396N58.2Low62.2Low80 Ų80124.7 Ų124.743%0.42862%0.617SS.*Hα-helixtrans-63.6-46.5174.8-77.7-1.7000111.2H392 R398 R399 E400H392-N396 WeakPolarHBondContact O-CB 3.3Å; H392-N396 PolarHBondContact O-N 3.24Å; N396-R398 PolarHBondContact O-N 3.23Å; N396-R399 PolarHBondContact O-N 3.08Å; N396-E400 WeakPolarHBondContact O-CG 3.4Å; N396-E400 PolarHBondContact O-N 3.32Å
397R57.3Low60.1Low184 Ų184122.1 Ų122.169%0.69463%0.626SS**Hα-helixtrans-57.2-35.8171.9-73.2-177.4-173.6-165.82.9112.9L393 T401L393-R397 WeakPolarHBondContact O-CG 3.45Å; L393-R397 PolarHBondContact O-N 2.91Å; R397-T401 PolarHBondContact O-N 3Å; R397-T401 PolarHBondContact O-OG1 3.23Å
398R56.3Low57.9Low182 Ų182127.5 Ų127.569%0.68765%0.651SS**Hα-helixtrans-71.6-35175.3-80.5179.7175.3-170.7-1.4113.4K394 V395 N396 T401 Q402K394-R398 WeakPolarHBondContact O-CB 3.43Å; K394-R398 WeakPolarHBondContact O-CG 3.19Å; K394-R398 PolarHBondContact O-N 3.34Å; K394-R398 VanDerWaalsContact O-N 3.12Å; V395-R398 PolarHBondContact O-N 2.92Å; N396-R398 PolarHBondContact O-N 3.23Å; R398-T401 WeakPolarHBondContact CA-OG1 3.36Å; R398-T401 PolarHBondContact O-N 2.92Å; R398-T401 PolarHBondContact O-OG1 2.92Å; R398-Q402 PolarHBondContact O-N 3.03Å
399R55.8Low56Low175 Ų175134 Ų13466%0.6667%0.671SS**Hα-helixtrans-69.1-40.5175-77.3178.8170.9-179.1-3.5111.8V395 N396 T401 Q402 G403V395-R399 WeakPolarHBondContact O-CG 3.48Å; V395-R399 PolarHBondContact O-N 3.27Å; N396-R399 PolarHBondContact O-N 3.08Å; R399-T401 VanDerWaalsContact C-N 3.3Å; R399-T401 PolarHBondContact O-N 3.47Å; R399-Q402 PolarHBondContact O-N 2.97Å; R399-G403 PolarHBondContact O-N 3.3Å
400E53.2Low54.1Low143 Ų143137.5 Ų137.567%0.66869%0.688SS**Hα-helixtrans-57.2-44.2171.3-71.6168165.200110.7N396 Q402 G403N396-E400 WeakPolarHBondContact O-CG 3.4Å; N396-E400 PolarHBondContact O-N 3.32Å; E400-Q402 VanDerWaalsContact C-N 3.26Å; E400-Q402 PolarHBondContact O-N 3.47Å; E400-G403 PolarHBondContact O-N 3.29Å
401T52Low52Low111 Ų111141.8 Ų141.868%0.68171%0.705SS**THydrogen-bonded Turntrans-74-3.3175.355.80000116R397 R398 R399R397-T401 PolarHBondContact O-N 3Å; R397-T401 PolarHBondContact O-OG1 3.23Å; R398-T401 WeakPolarHBondContact CA-OG1 3.36Å; R398-T401 PolarHBondContact O-N 2.92Å; R398-T401 PolarHBondContact O-OG1 2.92Å; R399-T401 VanDerWaalsContact C-N 3.3Å; R399-T401 PolarHBondContact O-N 3.47Å
402Q46.8Very low50.2Low158 Ų158140.7 Ų140.774%0.73872%0.718SS**THydrogen-bonded Turntrans-106.4-2.1177.2-81-173-28.400113.5R398 R399 E400R398-Q402 PolarHBondContact O-N 3.03Å; R399-Q402 PolarHBondContact O-N 2.97Å; E400-Q402 VanDerWaalsContact C-N 3.26Å; E400-Q402 PolarHBondContact O-N 3.47Å
403G48.6Very low48.2Very low66 Ų66146.9 Ų146.968%0.6874%0.737SS**SBendtrans-83.5-15.5176.900000115.1R399 E400R399-G403 PolarHBondContact O-N 3.3Å; E400-G403 PolarHBondContact O-N 3.29Å
404E47.4Very low46.7Very low176 Ų176147.6 Ų147.682%0.82275%0.747SS**  trans-109.169.2-169.3-64.3-169.7151.800113.2
405T46.6Very low45.3Very low141 Ų141146.4 Ų146.487%0.86576%0.76SS**  trans-144.763.2162.715.50000113.2
406A36.3Very low44Very low104 Ų104148.9 Ų148.986%0.8678%0.777SS**SBendtrans-146.5119.1153.700000107.2
407G37Very low43.2Very low79 Ų79150.9 Ų150.981%0.81480%0.795SS**  trans-107.3158.6-160.900000115.2
408E34.3Very low42.4Very low201 Ų201151.1 Ų151.194%0.93980%0.804SS**  trans-149.5151.6148.9-116.2176.9-17300110.4
409R39.7Very low41.6Very low248 Ų248148.1 Ų148.194%0.93681%0.808SS**  trans-95.7127.2-169.6-73.2176.2167.9-176.6-3112.6
410I34.7Very low40.9Very low174 Ų174145.5 Ų145.589%0.89281%0.813SS**  trans-134.2146.9157.5-59.5-175.5000110.9
411K35.3Very low40.1Very low195 Ų195150 Ų15085%0.84882%0.824SS**  trans-78.3158.9-170.5-76176.6176.8176.10114.4
412P37.1Very low39.1Very low132 Ų132151.9 Ų151.986%0.85783%0.83SS**  trans-82.2154.6-177.834.1-36.7000114.2
413R32Very low38.4Very low244 Ų244151.9 Ų151.992%0.92183%0.834SS**  trans-140142.4166.5-161.4164.9-172-170.81.4109.2
414P38.7Very low37.6Very low120 Ų120156.5 Ų156.578%0.77984%0.842SS**PPolyproline II helixtrans-91.7163-153.935.1-37000115.4
415A38Very low37Very low94 Ų94153.8 Ų153.878%0.77784%0.84SS**PPolyproline II helixtrans-82.3146.2173.400000112.6
416P39.7Very low36.3Very low120 Ų120151.7 Ų151.778%0.77983%0.831SS**PPolyproline II helixtrans-82.2160.4168.832.9-31.9000112.6
417P40.4Very low35.9Very low121 Ų121154 Ų15479%0.78683%0.829SS**  trans-105.3167-154.238.3-33.2000116
418Q40.8Very low35.5Very low190 Ų190158.3 Ų158.389%0.88883%0.833SS**  trans-84.5143.5163.9-67.3-170.7-6.800111.8
419P38.5Very low35.7Very low118 Ų118154 Ų15477%0.76682%0.822SS**  trans-100165.3158.433.6-23.6000112.1
420P42Very low35.1Very low120 Ų120150.7 Ų150.778%0.77982%0.817SS**  trans-114.4176.9-138.929-12.7000116.4
421R37Very low34.8Very low238 Ų238149.5 Ų149.590%0.89882%0.817SS**  trans-75.2139.7159.9-72.1179.6168.9-171.7-4.4109.6
422D30Very low34.3Very low150 Ų150143.4 Ų143.480%0.80281%0.81SS**  trans-153.9165.6151.2-105-38.4000113
423L32.1Very low34Very low158 Ų158141.9 Ų141.983%0.82781%0.809SS**  trans-69.3165-156.3-64.9145.6000117.7
424L32.3Very low33.8Very low163 Ų163139.3 Ų139.385%0.85381%0.807SS**  trans-59.9158.5166.9-76.4157.5000112.6
425P35.4Very low33.3Very low120 Ų120139.2 Ų139.278%0.77981%0.809SS**  -132.4169.6106.218.31.4000114.9
426S30.4Very low32.7Very low97 Ų97141.6 Ų141.668%0.67881%0.809SS**  trans-72.7153.5177.652.50000113.7
427D27.9Very low32.2Very low153 Ų153143.4 Ų143.482%0.81881%0.811SS**  -177.2153.1110.5-84.1-12.7000112.8
428L29.6Very low31.4Very low169 Ų169142.6 Ų142.689%0.88581%0.807SS**  trans-90.3175.5175-80.4164.6000109.6
429P37.6Very low30.7Very low111 Ų111137.3 Ų137.372%0.72180%0.804SS**  cis-147-177.921.845-24.8000118.4
430H27Very low30.1Very low178 Ų178136.4 Ų136.482%0.82481%0.807SS**  trans33.7123.8147.2-102.419.8000121.6
431V28.8Very low29.5Very low148 Ų148140.4 Ų140.490%0.89781%0.812SS**  -147.2140106.8175.10000107.8
432G26.1Very low29.1Very low68 Ų68135 Ų13570%0.70181%0.805SS**  trans-107.6158.4172.800000112.6
433A29.1Very low29.1Very low100 Ų100130.6 Ų130.683%0.82680%0.795SS**  trans-150.1125.216300000110.2
434Q27.5Very low29.1Very low190 Ų190131.2 Ų131.289%0.88880%0.798SS**  trans-78.3150.5161.6-65.3166.4-62.900108.9
435S29.9Very low28.9Very low118 Ų118132.4 Ų132.483%0.82580%0.8SS**  trans-163.2126.714280000110.3
436D24.9Very low28.6Very low143 Ų143131.2 Ų131.277%0.76580%0.8SS**  trans-65.1164.7160.3-58.1-78.1000110.9
437I28.1Very low28.9Very low159 Ų159131.7 Ų131.782%0.81580%0.801SS**  176.5136.4115-89.6160.8000112.4
438S25.1Very low29.2Very low103 Ų103133.8 Ų133.872%0.7281%0.805SS**  trans7.2122.6165.467.10000122.3
439G26.1Very low29.4Very low80 Ų80133.2 Ų133.283%0.82580%0.803SS**  54114.399.700000120.5
440A25.8Very low29.3Very low98 Ų98135.3 Ų135.381%0.8181%0.807SS**  trans-139.9123.4149.500000109.9
441F27.8Very low29.9Very low204 Ų204134.9 Ų134.990%0.89581%0.811SS**  trans-90.3121.8178-178.8-88.2000108.8
442V29.6Very low30.4Very low125 Ų125136.7 Ų136.776%0.75881%0.809SS**  trans-129.8113.1169.6-176.10000107.8
443G29.8Very low31.5Very low57 Ų57138.7 Ų138.759%0.58881%0.808SS**  trans-69.6138.3172.400000110.3
444L31.7Very low33.1Very low171 Ų171138.6 Ų138.690%0.89579%0.793SS**  trans-113114.7166.6-75.3169.2000107.8
445E28.6Very low34.7Very low189 Ų189137.6 Ų137.688%0.88379%0.789SS**PPolyproline II helixtrans-64.1146.4175.5-65174.4135.600110.3
446A30.2Very low36.2Very low94 Ų94135.2 Ų135.278%0.77778%0.776SS**PPolyproline II helixtrans-76.4127.7175.300000109.6E448A446-E448 PolarHBondContact O-N 3.12Å
447P35Very low38.2Very low108 Ų108135 Ų13570%0.70177%0.771SS**PPolyproline II helixtrans-74.7119.8174.228.7-31.6000110.3L449P447-L449 PolarHBondContact O-N 3.03Å; P447-L449 VanDerWaalsContact O-N 3.09Å
448E35.8Very low40.1Very low196 Ų196131.8 Ų131.892%0.91675%0.752SS**  trans-65.6101.5160.2-69.8-171.3136.700108.7A446A446-E448 PolarHBondContact O-N 3.12Å
449L33.8Very low42.3Very low158 Ų158131.7 Ų131.783%0.82774%0.74SS**  trans-92110.7171.7-85.6162.8000109.8P447P447-L449 PolarHBondContact O-N 3.03Å; P447-L449 VanDerWaalsContact O-N 3.09Å
450L33.9Very low44.9Very low154 Ų154134.3 Ų134.381%0.80673%0.731SS**  trans-64149.9168-71.4158.4000110.3E452L450-E452 VanDerWaalsContact C-N 3.32Å; L450-E452 PolarHBondContact O-N 3.41Å
451D40.6Very low47.4Very low169 Ų169135.5 Ų135.590%0.90471%0.714SS**  trans-68.685.5173.2-78.8-50.1000110.4
452E39.8Very low49.9Very low187 Ų187130.3 Ų130.387%0.87469%0.693SS**  trans-82.9107.7156.9-72.7-171.8168.600108.4L450 D454L450-E452 VanDerWaalsContact C-N 3.32Å; L450-E452 PolarHBondContact O-N 3.41Å; E452-D454 PolarHBondContact O-N 3.4Å
453V48.6Very low52.5Low110 Ų110128.1 Ų128.167%0.66768%0.677SS**  trans-73.4116.5166.1178.70000106.5E455V453-E455 PolarHBondContact O-N 3.3Å
454D62.8Low54.9Low98 Ų98128.4 Ų128.452%0.52467%0.67SS.*  trans-64.8102.2174.8-171.9-14.1000109.2E452 A456 E457 E458E452-D454 PolarHBondContact O-N 3.4Å; D454-A456 PolarHBondContact O-N 2.93Å; D454-A456 VanDerWaalsContact O-N 3.16Å; D454-A456 VanDerWaalsContact OD1-CB 3.28Å; D454-A456 WeakPolarHBondContact OD1-CB 3.44Å; D454-A456 PolarHBondContact OD1-N 2.94Å; D454-E457 HydrophobicContact CB-CB 4.06Å; D454-E457 PolarHBondContact O-N 3.42Å; D454-E458 PolarHBondContact O-N 2.9Å
455E60.3Low57.1Low169 Ų169124.7 Ų124.779%0.7965%0.65SS**Hα-helixtrans-59.1-25.1-179.5-64.8-170.4159.500111.7V453 Q459V453-E455 PolarHBondContact O-N 3.3Å; E455-Q459 VanDerWaalsContact O-CB 3.28Å; E455-Q459 WeakPolarHBondContact O-CB 3.49Å; E455-Q459 PolarHBondContact O-N 3.49Å
456A62.2Low59.7Low67 Ų67118.8 Ų118.855%0.55462%0.624SS**Hα-helixtrans-72.5-38.6174.800000112.3D454 Q459 E460D454-A456 PolarHBondContact O-N 2.93Å; D454-A456 VanDerWaalsContact O-N 3.16Å; D454-A456 VanDerWaalsContact OD1-CB 3.28Å; D454-A456 WeakPolarHBondContact OD1-CB 3.44Å; D454-A456 PolarHBondContact OD1-N 2.94Å; A456-Q459 PolarHBondContact O-N 3.48Å; A456-E460 PolarHBondContact O-N 3.03Å
457E66.9Low62.2Low140 Ų140120.6 Ų120.665%0.65462%0.617SS**Hα-helixtrans-67.6-37.6177-163.7-179.1-154.200111D454 R461D454-E457 HydrophobicContact CB-CB 4.06Å; D454-E457 PolarHBondContact O-N 3.42Å; E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 PolarHBondContact O-N 3.37Å
458E67.7Low64.4Low91 Ų91123.8 Ų123.843%0.42562%0.615SS.*Hα-helixtrans-71.6-34.8175.8-171.668.717100112.3D454 R461 H462D454-E458 PolarHBondContact O-N 2.9Å; E458-R461 VanDerWaalsContact CD-NH2 3.3Å; E458-R461 WeakPolarHBondContact O-CB 3.42Å; E458-R461 PolarHBondContact O-N 3.26Å; E458-R461 IonicContact OE1-CZ 2.63Å; E458-R461 IonicContact OE1-NE 2.85Å; E458-R461 IonicContact OE1-NH2 3.61Å; E458-R461 PolarHBondContact OE1-NH2 3.3Å; E458-R461 IonicContact OE2-CZ 3.62Å; E458-R461 IonicContact OE2-NE 3.67Å; E458-R461 PolarHBondContact OE2-NE 3.46Å; E458-R461 IonicContact OE2-NH2 2.77Å; E458-R461 PolarHBondContact OE2-NH2 2.91Å; E458-H462 PolarHBondContact O-N 2.91Å
459Q70.9Confident66.4Low101 Ų101119.5 Ų119.547%0.47260%0.595SS.*Hα-helixtrans-66.8-45.7172.9-177.260.642.500111.8E455 A456 R461 H462 D463E455-Q459 VanDerWaalsContact O-CB 3.28Å; E455-Q459 WeakPolarHBondContact O-CB 3.49Å; E455-Q459 PolarHBondContact O-N 3.49Å; A456-Q459 PolarHBondContact O-N 3.48Å; Q459-R461 VanDerWaalsContact C-N 3.27Å; Q459-R461 PolarHBondContact O-N 2.65Å; Q459-H462 WeakPolarHBondContact O-CB 3.35Å; Q459-H462 PolarHBondContact O-N 3.43Å; Q459-H462 VanDerWaalsContact O-N 3.07Å; Q459-D463 VanDerWaalsContact NE2-CG 3.32Å; Q459-D463 PolarHBondContact NE2-OD1 3.45Å; Q459-D463 PolarHBondContact NE2-OD2 3.35Å; Q459-D463 PolarHBondContact O-N 2.92Å
460E80.1Confident68.5Low135 Ų135118.6 Ų118.663%0.63158%0.584SS**Hα-helixtrans-60.3-38.8175.3-173.4180-177.300111.4A456 S464A456-E460 PolarHBondContact O-N 3.03Å; E460-S464 VanDerWaalsContact O-CB 3.27Å; E460-S464 WeakPolarHBondContact O-CB 3.27Å; E460-S464 PolarHBondContact O-N 3.28Å; E460-S464 PolarHBondContact O-OG 3.03Å
461R78.4Confident70.5Confident123 Ų123116.3 Ų116.346%0.46457%0.572SS.*Hα-helixtrans-62.5-40.7173.5-167.6-175.471.770.2-2.2112E457 E458 Q459 L465E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 PolarHBondContact O-N 3.37Å; E458-R461 VanDerWaalsContact CD-NH2 3.3Å; E458-R461 WeakPolarHBondContact O-CB 3.42Å; E458-R461 PolarHBondContact O-N 3.26Å; E458-R461 IonicContact OE1-CZ 2.63Å; E458-R461 IonicContact OE1-NE 2.85Å; E458-R461 IonicContact OE1-NH2 3.61Å; E458-R461 PolarHBondContact OE1-NH2 3.3Å; E458-R461 IonicContact OE2-CZ 3.62Å; E458-R461 IonicContact OE2-NE 3.67Å; E458-R461 PolarHBondContact OE2-NE 3.46Å; E458-R461 IonicContact OE2-NH2 2.77Å; E458-R461 PolarHBondContact OE2-NH2 2.91Å; Q459-R461 VanDerWaalsContact C-N 3.27Å; Q459-R461 PolarHBondContact O-N 2.65Å; R461-L465 VanDerWaalsContact NH1-CD1 3.34Å; R461-L465 WeakPolarHBondContact O-CG 3.27Å; R461-L465 PolarHBondContact O-N 3.44Å
462H81.4Confident72.1Confident94 Ų94111.1 Ų111.144%0.43555%0.547SS..Hα-helixtrans-67.3-46.8178.6-174.9-92.6000111.9E458 Q459 S464 L465 L466E458-H462 PolarHBondContact O-N 2.91Å; Q459-H462 WeakPolarHBondContact O-CB 3.35Å; Q459-H462 PolarHBondContact O-N 3.43Å; Q459-H462 VanDerWaalsContact O-N 3.07Å; H462-S464 PolarHBondContact O-N 2.99Å; H462-L465 WeakPolarHBondContact O-CB 3.46Å; H462-L465 PolarHBondContact O-N 3.18Å; H462-L465 VanDerWaalsContact O-N 3.13Å; H462-L466 PolarHBondContact O-N 3.14Å
463D84.1Confident73.6Confident80 Ų80107.1 Ų107.143%0.42853%0.528SS..Hα-helixtrans-66.7-37.3-179.5-68.8-27.1000112Q459 L465 L466 Q467Q459-D463 VanDerWaalsContact NE2-CG 3.32Å; Q459-D463 PolarHBondContact NE2-OD1 3.45Å; Q459-D463 PolarHBondContact NE2-OD2 3.35Å; Q459-D463 PolarHBondContact O-N 2.92Å; D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.01Å; D463-L466 PolarHBondContact O-N 3.06Å; D463-Q467 PolarHBondContact O-N 3.02Å
464S81Confident74.9Confident63 Ų63105.3 Ų105.344%0.44153%0.531SS..Hα-helixtrans-59.6-37.7171.5-65.70000112.9E460 H462 R468E460-S464 VanDerWaalsContact O-CB 3.27Å; E460-S464 WeakPolarHBondContact O-CB 3.27Å; E460-S464 PolarHBondContact O-N 3.28Å; E460-S464 PolarHBondContact O-OG 3.03Å; H462-S464 PolarHBondContact O-N 2.99Å; S464-R468 WeakPolarHBondContact O-CB 3.47Å; S464-R468 PolarHBondContact O-N 3.39Å; S464-R468 VanDerWaalsContact O-N 3.12Å
465L77.7Confident75.6Confident92 Ų92106.8 Ų106.848%0.48254%0.539SS..Hα-helixtrans-71.5-40.1175.9-74.2170.5000111.8R461 H462 D463 R468 Q469R461-L465 VanDerWaalsContact NH1-CD1 3.34Å; R461-L465 WeakPolarHBondContact O-CG 3.27Å; R461-L465 PolarHBondContact O-N 3.44Å; H462-L465 WeakPolarHBondContact O-CB 3.46Å; H462-L465 PolarHBondContact O-N 3.18Å; H462-L465 VanDerWaalsContact O-N 3.13Å; D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.01Å; L465-R468 PolarHBondContact O-N 2.87Å; L465-Q469 PolarHBondContact O-N 2.63Å
466L82.2Confident76Confident65 Ų65100.7 Ų100.734%0.3452%0.521SS..Hα-helixtrans-62.3-42.5175.3-12589.5000112H462 D463 R468 Q469 K470H462-L466 PolarHBondContact O-N 3.14Å; D463-L466 PolarHBondContact O-N 3.06Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-Q469 PolarHBondContact O-N 3.49Å; L466-K470 WeakPolarHBondContact O-CG 3.46Å; L466-K470 PolarHBondContact O-N 3.39Å; L466-K470 VanDerWaalsContact O-N 3.08Å
467Q83Confident76.4Confident133 Ų133101.1 Ų101.162%0.62152%0.516SS*.Hα-helixtrans-64.6-40.2176.8-166.7178.82500111.3D463 K470 L471D463-Q467 PolarHBondContact O-N 3.02Å; Q467-K470 PolarHBondContact O-N 3.34Å; Q467-L471 PolarHBondContact O-N 2.92Å
468R80.3Confident76.5Confident174 Ų17498.3 Ų98.366%0.65751%0.509SS*.Hα-helixtrans-64.1-39.7174.3-172.6-179179.5105.92.8112.3S464 L465 L466 L471 V472S464-R468 WeakPolarHBondContact O-CB 3.47Å; S464-R468 PolarHBondContact O-N 3.39Å; S464-R468 VanDerWaalsContact O-N 3.12Å; L465-R468 PolarHBondContact O-N 2.87Å; L466-R468 VanDerWaalsContact C-N 3.34Å; R468-L471 PolarHBondContact O-N 3.04Å; R468-V472 WeakPolarHBondContact O-CG2 3.24Å; R468-V472 PolarHBondContact O-N 3.31Å
469Q78.4Confident76.4Confident106 Ų10696.2 Ų96.250%0.49551%0.512SS..Hα-helixtrans-59.6-52174.6178.4179.5-5.700110.9L465 L466 L471 V472 E473L465-Q469 PolarHBondContact O-N 2.63Å; L466-Q469 PolarHBondContact O-N 3.49Å; Q469-L471 VanDerWaalsContact C-N 3.27Å; Q469-L471 PolarHBondContact O-N 2.93Å; Q469-V472 PolarHBondContact O-N 3.48Å; Q469-E473 HydrophobicContact CG-CG 4.39Å; Q469-E473 VanDerWaalsContact CG-OE1 3.26Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.15Å; Q469-E473 PolarHBondContact NE2-OE1 3.35Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 2.91Å
470K78.6Confident76.2Confident139 Ų13997.1 Ų97.160%0.60451%0.514SS*.Hα-helixtrans-57.5-38.2178.6-70.4174.8-178.9176.50112.7L466 Q467 G474L466-K470 WeakPolarHBondContact O-CG 3.46Å; L466-K470 PolarHBondContact O-N 3.39Å; L466-K470 VanDerWaalsContact O-N 3.08Å; Q467-K470 PolarHBondContact O-N 3.34Å; K470-G474 PolarHBondContact O-N 3.14Å
471L76.5Confident75.7Confident107 Ų10794.4 Ų94.456%0.5651%0.506SS*.Hα-helixtrans-64.8-44.3173.5-80.3162.8000112.5Q467 R468 Q469 G474 L475Q467-L471 PolarHBondContact O-N 2.92Å; R468-L471 PolarHBondContact O-N 3.04Å; Q469-L471 VanDerWaalsContact C-N 3.27Å; Q469-L471 PolarHBondContact O-N 2.93Å; L471-G474 PolarHBondContact O-N 2.84Å; L471-L475 WeakPolarHBondContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CD1 3.33Å; L471-L475 WeakPolarHBondContact O-CG 3.38Å; L471-L475 PolarHBondContact O-N 3.49Å
472V73.6Confident75.1Confident60 Ų6093.7 Ų93.736%0.36451%0.508SS..Hα-helixtrans-68.5-35.6-179.7170.60000112.1R468 Q469 V478R468-V472 WeakPolarHBondContact O-CG2 3.24Å; R468-V472 PolarHBondContact O-N 3.31Å; Q469-V472 PolarHBondContact O-N 3.48Å; V472-V478 HydrophobicContact CG1-CG2 3.9Å
473E71.8Confident74.5Confident102 Ų10294.1 Ų94.148%0.47751%0.51SS..Hα-helixtrans-68.7-47.8172.9-71.1169.5178.100111.3Q469 L475 G476 V478Q469-E473 HydrophobicContact CG-CG 4.39Å; Q469-E473 VanDerWaalsContact CG-OE1 3.26Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.15Å; Q469-E473 PolarHBondContact NE2-OE1 3.35Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 2.91Å; E473-L475 VanDerWaalsContact C-N 3.28Å; E473-L475 PolarHBondContact O-N 2.96Å; E473-G476 PolarHBondContact O-N 3.26Å; E473-V478 HydrophobicContact CG-CG2 4.49Å
474G74.3Confident73.7Confident72 Ų7296.7 Ų96.774%0.74252%0.524SS*.Hα-helixtrans-64.6-25.2178.900000114.8K470 L471 G476K470-G474 PolarHBondContact O-N 3.14Å; L471-G474 PolarHBondContact O-N 2.84Å; G474-G476 PolarHBondContact O-N 2.94Å
475L77.6Confident72.8Confident130 Ų130100.5 Ų100.568%0.68154%0.538SS*.THydrogen-bonded Turntrans-77-1173.1-72.8167.1000113.6L471 E473 V477L471-L475 WeakPolarHBondContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CD1 3.33Å; L471-L475 WeakPolarHBondContact O-CG 3.38Å; L471-L475 PolarHBondContact O-N 3.49Å; E473-L475 VanDerWaalsContact C-N 3.28Å; E473-L475 PolarHBondContact O-N 2.96Å; L475-V477 HydrophobicContact CB-CG2 3.9Å; L475-V477 PolarHBondContact O-N 3.42Å
476G69.1Low71.8Confident40 Ų40102.6 Ų102.641%0.41255%0.545SS..THydrogen-bonded Turntrans682.4178.400000115.1E473 G474 V478 G479 K480E473-G476 PolarHBondContact O-N 3.26Å; G474-G476 PolarHBondContact O-N 2.94Å; G476-V478 VanDerWaalsContact C-N 3.32Å; G476-V478 PolarHBondContact O-N 3.33Å; G476-G479 PolarHBondContact O-N 3.5Å; G476-G479 VanDerWaalsContact O-N 3.14Å; G476-K480 PolarHBondContact O-N 3.46Å
477V71Confident70.1Confident76 Ų76109.2 Ų109.246%0.46157%0.567SS.*Hα-helixtrans-60.5-41.6-175.3177.50000111.1L475 G479 K480 V481L475-V477 HydrophobicContact CB-CG2 3.9Å; L475-V477 PolarHBondContact O-N 3.42Å; V477-G479 VanDerWaalsContact C-N 3.34Å; V477-G479 PolarHBondContact O-N 3.44Å; V477-K480 PolarHBondContact O-N 2.82Å; V477-V481 HydrophobicContact CG1-CG2 4.47Å; V477-V481 WeakPolarHBondContact O-CG2 3.48Å; V477-V481 PolarHBondContact O-N 3.4Å
478V68.1Low68.2Low82 Ų82113.7 Ų113.750%0.49758%0.579SS.*Hα-helixtrans-60.6-44.5177.5-173.90000111V472 E473 G476 V481 H482V472-V478 HydrophobicContact CG1-CG2 3.9Å; E473-V478 HydrophobicContact CG-CG2 4.49Å; G476-V478 VanDerWaalsContact C-N 3.32Å; G476-V478 PolarHBondContact O-N 3.33Å; V478-V481 PolarHBondContact O-N 2.82Å; V478-H482 WeakPolarHBondContact O-CB 3.44Å; V478-H482 PolarHBondContact O-N 2.73Å
479G67.4Low66.5Low47 Ų47111.1 Ų111.149%0.48558%0.584SS.*Hα-helixtrans-63.3-43.8176.400000112.5G476 V477 V481 H482 E483G476-G479 PolarHBondContact O-N 3.5Å; G476-G479 VanDerWaalsContact O-N 3.14Å; V477-G479 VanDerWaalsContact C-N 3.34Å; V477-G479 PolarHBondContact O-N 3.44Å; G479-V481 PolarHBondContact O-N 2.85Å; G479-H482 PolarHBondContact O-N 3.34Å; G479-E483 WeakPolarHBondContact O-CB 3.4Å; G479-E483 PolarHBondContact O-N 2.84Å
480K66.4Low64.5Low120 Ų120115.4 Ų115.452%0.52260%0.604SS.*Hα-helixtrans-67.3-35.8179.6-147.875.2-163.8158.40112.8G476 V477 E483 L484G476-K480 PolarHBondContact O-N 3.46Å; V477-K480 PolarHBondContact O-N 2.82Å; K480-E483 VanDerWaalsContact CD-OE2 3.32Å; K480-E483 WeakPolarHBondContact CD-OE2 3.39Å; K480-E483 VanDerWaalsContact CE-OE2 3.22Å; K480-E483 WeakPolarHBondContact CE-OE2 3.38Å; K480-E483 VanDerWaalsContact NZ-CD 3.35Å; K480-E483 IonicContact NZ-OE1 2.63Å; K480-E483 PolarHBondContact NZ-OE1 3.37Å; K480-E483 IonicContact NZ-OE2 3.31Å; K480-E483 PolarHBondContact NZ-OE2 2.81Å; K480-L484 WeakPolarHBondContact O-CB 3.27Å; K480-L484 VanDerWaalsContact O-CG 3.29Å; K480-L484 WeakPolarHBondContact O-CG 3.35Å; K480-L484 PolarHBondContact O-N 3.19Å; K480-L484 VanDerWaalsContact O-N 3.09Å
481V68.1Low62.3Low77 Ų77112.8 Ų112.847%0.46762%0.617SS.*Hα-helixtrans-66.3-40.9172.5170.60000111V477 V478 G479 L484 L485V477-V481 HydrophobicContact CG1-CG2 4.47Å; V477-V481 WeakPolarHBondContact O-CG2 3.48Å; V477-V481 PolarHBondContact O-N 3.4Å; V478-V481 PolarHBondContact O-N 2.82Å; G479-V481 PolarHBondContact O-N 2.85Å; V481-L484 PolarHBondContact O-N 2.84Å; V481-L485 HydrophobicContact CG1-CD1 3.96Å; V481-L485 VanDerWaalsContact O-CG 3.28Å; V481-L485 WeakPolarHBondContact O-CG 3.49Å; V481-L485 PolarHBondContact O-N 3.06Å; V481-L485 VanDerWaalsContact O-N 3.15Å
482H66.4Low60Low109 Ų109111.8 Ų111.851%0.50563%0.633SS.*Hα-helixtrans-65.2-42.8177-170.9-95.2000112.3V478 G479 L485 Q486V478-H482 WeakPolarHBondContact O-CB 3.44Å; V478-H482 PolarHBondContact O-N 2.73Å; G479-H482 PolarHBondContact O-N 3.34Å; H482-L485 PolarHBondContact O-N 2.92Å; H482-Q486 PolarHBondContact CE1-NE2 3.49Å; H482-Q486 PolarHBondContact CE1-OE1 3.27Å; H482-Q486 PolarHBondContact NE2-NE2 3.44Å; H482-Q486 WeakPolarHBondContact O-CG 3.49Å; H482-Q486 PolarHBondContact O-N 2.87Å
483E68.7Low57.9Low102 Ų102112.7 Ų112.748%0.47765%0.654SS.*Hα-helixtrans-60.5-44175.2-169.5-175.6-179.900112.1G479 K480 L485 Q486G479-E483 WeakPolarHBondContact O-CB 3.4Å; G479-E483 PolarHBondContact O-N 2.84Å; K480-E483 VanDerWaalsContact CD-OE2 3.32Å; K480-E483 WeakPolarHBondContact CD-OE2 3.39Å; K480-E483 VanDerWaalsContact CE-OE2 3.22Å; K480-E483 WeakPolarHBondContact CE-OE2 3.38Å; K480-E483 VanDerWaalsContact NZ-CD 3.35Å; K480-E483 IonicContact NZ-OE1 2.63Å; K480-E483 PolarHBondContact NZ-OE1 3.37Å; K480-E483 IonicContact NZ-OE2 3.31Å; K480-E483 PolarHBondContact NZ-OE2 2.81Å; E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 3.07Å; E483-Q486 PolarHBondContact O-N 3.25Å
484L67.4Low55.8Low135 Ų135115.1 Ų115.171%0.70767%0.669SS**Hα-helixtrans-64.4-27.4175.6-75.4168.1000113.6K480 V481K480-L484 WeakPolarHBondContact O-CB 3.27Å; K480-L484 VanDerWaalsContact O-CG 3.29Å; K480-L484 WeakPolarHBondContact O-CG 3.35Å; K480-L484 PolarHBondContact O-N 3.19Å; K480-L484 VanDerWaalsContact O-N 3.09Å; V481-L484 PolarHBondContact O-N 2.84Å
485L62.4Low53.7Low143 Ų143123.5 Ų123.575%0.74968%0.68SS**Hα-helixtrans-85.4-11.8178.2-71169.5000113.6V481 H482 E483V481-L485 HydrophobicContact CG1-CD1 3.96Å; V481-L485 VanDerWaalsContact O-CG 3.28Å; V481-L485 WeakPolarHBondContact O-CG 3.49Å; V481-L485 PolarHBondContact O-N 3.06Å; V481-L485 VanDerWaalsContact O-N 3.15Å; H482-L485 PolarHBondContact O-N 2.92Å; E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 3.07Å
486Q57.5Low51.3Low135 Ų135124.4 Ų124.463%0.63168%0.681SS**Hα-helixtrans-103.8-6.9-178.1-71.4-166.5-24.200114.8H482 E483 R488H482-Q486 PolarHBondContact CE1-NE2 3.49Å; H482-Q486 PolarHBondContact CE1-OE1 3.27Å; H482-Q486 PolarHBondContact NE2-NE2 3.44Å; H482-Q486 WeakPolarHBondContact O-CG 3.49Å; H482-Q486 PolarHBondContact O-N 2.87Å; E483-Q486 PolarHBondContact O-N 3.25Å; Q486-R488 PolarHBondContact O-N 2.82Å
487Y44.9Very low49.2Very low205 Ų205133.8 Ų133.880%0.80471%0.705SS**  trans-75.7110.8-176.7-143.6-91.5000112.5
488R43.6Very low47.1Very low227 Ų227133.5 Ų133.586%0.85771%0.706SS**  trans-116.9125.7174.6-141.8-173.4-158.2-165.36.5108.9Q486Q486-R488 PolarHBondContact O-N 2.82Å
489P45Very low45.1Very low119 Ų119136.4 Ų136.477%0.77373%0.725SS**  trans-74.5131.8178-12.227.5000111.3
490E35.6Very low43.1Very low196 Ų196140.9 Ų140.992%0.91674%0.738SS**  trans-104.2143.1168.4-68.2-163.7151.700111.5
491G33Very low41.3Very low85 Ų85143.3 Ų143.388%0.87676%0.755SS**  trans87123.8170.900000115.3
492G29.1Very low39.2Very low86 Ų86142.9 Ų142.989%0.88777%0.765SS**  cis175.2172.9-4.900000110.5
493G28.8Very low37.2Very low78 Ų78143.6 Ų143.680%0.80478%0.781SS**  trans136.576.9169.500000117.3
494L27.7Very low35.3Very low154 Ų154147.9 Ų147.981%0.80680%0.801SS**  trans-5.2129155.3-73.2138.4000119.4
495Y30Very low33.4Very low247 Ų247146.5 Ų146.597%0.96980%0.803SS**  -142.7146119.7-88.9-72.8000109.8
496H27.5Very low31.7Very low150 Ų150147.6 Ų147.669%0.69480%0.804SS**  trans-124.5130.7-167.2-168.148.2000109.3
497Y25.4Very low30.3Very low237 Ų237147.8 Ų147.893%0.92981%0.805SS**  trans-157.1133.4144.2-121-78.6000110.3
498S25.4Very low29.6Very low69 Ų69145.3 Ų145.348%0.48380%0.801SS.*  trans-91.2157.4-167.1-500000113.5
499T27Very low28.6Very low143 Ų143146.1 Ų146.188%0.87780%0.803SS**  -159.2134.6125.45.60000110.5
500D25.8Very low27.7Very low142 Ų142151.5 Ų151.576%0.75981%0.808SS**  trans-68.6167.4179.4-56-82.6000111.4
501I27.6Very low27.4Very low171 Ų171148.8 Ų148.888%0.87780%0.8SS**  -161.813962.4-76.5163.7000111.7
502G24.7Very low27.1Very low67 Ų67153.7 Ų153.769%0.69180%0.803SS**  trans81.988.5133.600000118.7
503C25.2Very low26.9Very low124 Ų124157.1 Ų157.184%0.83880%0.801SS**  69.6100.878.7-165.20000116.1
504Q28.4Very low26.8Very low192 Ų192163 Ų16390%0.89781%0.805SS**  -163.4146.4110.5-103.1-179.411.100110.8
505S26.7Very low26.8Very low106 Ų106163.5 Ų163.574%0.74181%0.807SS**  trans-146177178.6640000109.8
506Q26.6Very low26.6Very low166 Ų166159.3 Ų159.378%0.77680%0.798SS**  trans92.8135.4-172.1-55.8-17923.800113
507H28.8Very low26.5Very low139 Ų139160.3 Ų160.364%0.64480%0.803SS**  cis-135.7149.217.1-105.3-20.4000115.3
508Q28.8Very low26.6Very low154 Ų154160.2 Ų160.272%0.7280%0.802SS**  trans36.2114.1139-59.4170.90.800119.2
509R23.8Very low27Very low243 Ų243162.2 Ų162.292%0.91781%0.814SS**  48.810179.5-75.9-168.2176.7-1730.3114.9
510R26.7Very low27.1Very low232 Ų232162.8 Ų162.888%0.87581%0.811SS**  -164.3144.2127.4-108.9173.1-172.3164.52.4113
511D29.1Very low27.1Very low140 Ų140164.9 Ų164.975%0.74981%0.814SS**  trans65.182.2149.7-48.2-25.5000120.7
512M26.2Very low27Very low187 Ų187167.1 Ų167.192%0.92181%0.813SS**  trans-74.9103.9144.7-88.6-89-72.900109.3
513N25.6Very low27.1Very low158 Ų158175.6 Ų175.685%0.84582%0.824SS**  trans178.888.3153.8-96.5-20.1000111
514F25.9Very low27Very low203 Ų203180 Ų18089%0.8982%0.824SS**  trans-160.182158.1-127.1-81.7000111
515L28.2Very low26.9Very low163 Ų163179 Ų17985%0.85382%0.82SS**  trans-143.764.6168.7-164.684000111.1
516M25Very low26.8Very low159 Ų159185.9 Ų185.978%0.78383%0.829SS**  trans-146.5143.8159.3-82.8-56.7158.800109.5
517H26.5Very low26.7Very low172 Ų172182.4 Ų182.480%0.79682%0.824SS**  trans72.1110.1174.1-68.544.5000118.2
518Y27.2Very low26.5Very low234 Ų234183.2 Ų183.292%0.91883%0.832SS**  trans-143.2127.3138.3-106.4-82.1000108.6
519P33.9Very low26.4Very low111 Ų111183.3 Ų183.372%0.72184%0.837SS**  trans-94.9176.7177.737.9-35.2000112.9
520D27.5Very low26.4Very low155 Ų155180.2 Ų180.283%0.82983%0.833SS**  trans-48.5140.3-178.9-63.6-76.6000116.7
521K26.8Very low26.3Very low187 Ų187178 Ų17881%0.81383%0.832SS**  trans-169.9164.6138.9-107.1159.7-170.5179.90112.6
522Y26.1Very low26.1Very low218 Ų218176.3 Ų176.386%0.85584%0.838SS**  trans88.863.6173.7-56.2-72.2000119.1
523R25.1Very low25.9Very low244 Ų244173.7 Ų173.792%0.92184%0.837SS**  -86.5107.6126.2-91.4-175.2176.2172.10.5108.5
524Y24.9Very low25.9Very low216 Ų216174 Ų17485%0.84784%0.837SS**  trans-179.3156.7136.3-124.8-103.6000111.6
525Q25.9Very low25.8Very low171 Ų171172.7 Ų172.780%0.79983%0.834SS**  trans96.369.2157.6-138.914416.200118.8
526R23.9Very low25.7Very low251 Ų251171.8 Ų171.895%0.94783%0.83SS**  trans-93.8113.2145.2-102.7-173.1174.3-174.6-1.2109
527S24.3Very low25.6Very low94 Ų94170.4 Ų170.466%0.65783%0.825SS**  trans169.7157.2148.548.30000109.8
528L25.1Very low25.5Very low155 Ų155168.2 Ų168.281%0.81282%0.824SS**  trans70.998.4-178.4-47170.6000112.4
529N25.9Very low25.4Very low156 Ų156165.7 Ų165.783%0.83482%0.82SS**  -153.8119.855.2-77.4-24.2000112.7
530E24.3Very low25Very low178 Ų178164.6 Ų164.683%0.83282%0.815SS**  trans-118.2158.1143.7-81.6-172.6138.500107.7
531H26Very low24.9Very low185 Ų185164.5 Ų164.586%0.85681%0.814SS**  trans70.392.9-176-55.3-78000117.3
532A24.6Very low24.8Very low105 Ų105166 Ų16687%0.86882%0.816SS**  -175.2104.8105.900000112.1
533C21.5Very low24.8Very low133 Ų133166.6 Ų166.690%0.89982%0.817SS**  -169.2120.1125.1-157.90000109.7
534L25.2Very low24.8Very low163 Ų163162.4 Ų162.485%0.85381%0.81SS**  trans-128.3154.7167.8-89.8172000108
535Q24.6Very low24.9Very low176 Ų176156 Ų15682%0.82281%0.809SS**  trans113.9150152.9-59.8-165.8-72.700118.7
536L25.1Very low25Very low145 Ų145156.5 Ų156.576%0.75981%0.811SS**  trans77130.1170.3-41.7-178.8000116.2
537D23.5Very low25.1Very low129 Ų129147.6 Ų147.669%0.6980%0.798SS**  cis-155.7137.6-21.2-90.6-36.9000106.1
538V25.1Very low25.3Very low127 Ų127151.9 Ų151.977%0.7781%0.807SS**  62.2139.182.6-166.50000115.9
539E24.8Very low25.4Very low181 Ų181155.2 Ų155.285%0.84681%0.809SS**  trans84.7144.4176.7-57.9-153149.500118.6
540S24.8Very low25.4Very low87 Ų87154.2 Ų154.261%0.60881%0.809SS**  cis-166166.4-18.957.50000112.3
541L24.8Very low25.6Very low153 Ų153151.4 Ų151.480%0.80181%0.809SS**  trans57.7118.9155.8-65.9156.9000120.2
542Y25.1Very low25.6Very low218 Ų218145.6 Ų145.686%0.85580%0.799SS**  50.3107.471.2-99.3-83.3000117.1
543R26.6Very low25.8Very low232 Ų232146.7 Ų146.788%0.87580%0.795SS**  173.1122.9127.1-97.2178.2-172.3-160.63.7111.5
544M25.1Very low26.2Very low156 Ų156148.1 Ų148.177%0.76879%0.788SS**  69114.298.4-69.3-82.3-74.800114.8
545G26.3Very low26.4Very low82 Ų82147.5 Ų147.585%0.84579%0.785SS**  trans-130.383.7167.600000111.4
546E27.8Very low26.4Very low180 Ų180142.2 Ų142.284%0.84178%0.778SS**  trans-87.6147.9147.6-59.1-174.9136.500106.5
547G26.8Very low27.7Very low65 Ų65140.1 Ų140.167%0.6777%0.773SS**  cis135.3133.35.700000109.2
548H28Very low27.9Very low183 Ų183143.4 Ų143.485%0.84778%0.777SS**  trans-161.7118.7165.2-100.838.3000106.4
549R26.8Very low28.2Very low226 Ų226144.9 Ų144.985%0.85378%0.775SS**  55.8110.777.1-77.1-168.5176.4-169.41.2114.2
550T27Very low28.5Very low134 Ų134141.2 Ų141.282%0.82277%0.765SS**  -170.7129.8104.730.30000112.4
551S28.2Very low28.7Very low119 Ų119143.4 Ų143.483%0.83277%0.77SS**  trans20.5142.9141.856.30000121.5
552G25.9Very low28.9Very low63 Ų63140.1 Ų140.165%0.64976%0.76SS**  cis158.4173.20.900000111.5
553T29.1Very low29.1Very low128 Ų128135.3 Ų135.379%0.78575%0.754SS**  trans41.9137.8148.951.60000119.9
554H30.6Very low29.3Very low163 Ų163130 Ų13076%0.75575%0.747SS**  cis-176.8143.824.2-126.4-48.5000104.8
555L27.9Very low29.4Very low150 Ų150129.8 Ų129.879%0.78575%0.749SS**  164.6154.781.8-102.8147.2000107.6
556G25.9Very low29.6Very low66 Ų66129.7 Ų129.768%0.6874%0.74SS**  trans-84.4-137.3163.300000111
557P51.1Low29.7Very low100 Ų100126 Ų12665%0.64974%0.735SS**  cis-145.9-165.3723.16.3000115.2
558Y28.9Very low29.9Very low198 Ų198132.5 Ų132.578%0.77674%0.744SS**  trans74.4150165.6-66.1-86.2000118.3
559Q31.3Very low29.9Very low158 Ų158128.9 Ų128.974%0.73874%0.74SS**  cis-179.8168.9-28.7-113.3-161.9-6.900106.5
560V30.6Very low30Very low105 Ų105130 Ų13064%0.63674%0.744SS**  cis-162.5160.6-19.874.60000106.1
561N28.2Very low29.9Very low133 Ų133127 Ų12771%0.71174%0.739SS**  171.4128.598.4-126.1-9.1000108.8
562S29.9Very low29.8Very low84 Ų84133.5 Ų133.559%0.58775%0.745SS**  72.1135.6103.275.60000116.1
563T28.4Very low29.9Very low117 Ų117136.5 Ų136.572%0.71875%0.751SS**  cis-171161.89.55.80000112.2
564T30.7Very low29.9Very low121 Ų121136.1 Ų136.174%0.74275%0.75SS**  trans63.6140.6150.3500000120.6
565D27Very low29.8Very low151 Ų151134.4 Ų134.481%0.80775%0.752SS**  cis-153.4179-2.2-139.7-30.7000114.2
566A31.3Very low29.7Very low80 Ų80134.9 Ų134.966%0.66175%0.753SS**  trans-63.9172.1-172.100000116.2
567S29.3Very low29.8Very low103 Ų103139.1 Ų139.172%0.7276%0.76SS**  cis-168.5147.133.454.50000116.3
568K31Very low28.9Very low201 Ų201138.9 Ų138.987%0.87476%0.759SS**  trans46.1144.2133.9-65.1173.2-175172.40121
569S28.2Very low28.7Very low107 Ų107135 Ų13575%0.74876%0.755SS**  cis-166.5151.1641.80000115.1
570R29.2Very low28.5Very low249 Ų249139.4 Ų139.494%0.9477%0.766SS**  trans5.2145.3145.6-58.9172.2171.9173.5-4.8119.1
571G26.1Very low28.1Very low70 Ų70137.8 Ų137.872%0.72277%0.77SS**  cis128.7151.83.700000113
572R25.3Very low27.9Very low256 Ų256138.7 Ų138.797%0.96677%0.774SS**  trans170.5149.4154.1-100174-160.7-1216.1112.3
573V28.1Very low27.6Very low127 Ų127142.1 Ų142.177%0.7778%0.781SS**  trans-105.9153.9166.11790000107.8
574P29.6Very low27.3Very low119 Ų119141.6 Ų141.677%0.77378%0.78SS**  -138.6152.1123.835.3-22.5000114.5
575V28Very low26.9Very low128 Ų128143.7 Ų143.778%0.77679%0.787SS**  trans-81.9146.6164.81720000109.2
576I26.2Very low26.7Very low159 Ų159144.4 Ų144.482%0.81579%0.791SS**  trans-164.3146.3147.8-96.8143000109
577N28.4Very low26.3Very low155 Ų155146.1 Ų146.183%0.82980%0.798SS**  trans-143.1129.9174.5-169.613.6000108.2
578P31.8Very low26.1Very low96 Ų96146 Ų14662%0.62380%0.797SS**  trans-145.3120.5153.231.9-12.1000116.6
579T24.9Very low25.9Very low115 Ų115143.7 Ų143.771%0.70679%0.794SS**  trans46.2130.4132.156.40000124.8
580R25.6Very low25.7Very low252 Ų252147.1 Ų147.195%0.95180%0.798SS**  trans66.5142.6143.1-66.6174.7171.7-176.5-3.4118
581G22.7Very low25.8Very low71 Ų71141.8 Ų141.873%0.73279%0.794SS**  cis-161.5-170.4-3.600000108.4
582L24.2Very low25.9Very low152 Ų152142.5 Ų142.580%0.79679%0.792SS**  cis-158.2153.414-93.3151.1000109.9
583H23.2Very low26Very low156 Ų156137.8 Ų137.872%0.72279%0.786SS**  trans47.9122.5153.2-67.5-39000122.2
584C21.9Very low25.9Very low105 Ų105140 Ų14071%0.70979%0.793SS**  72.6128.979.8-59.10000112
585D22.3Very low26Very low165 Ų165139.7 Ų139.788%0.88279%0.791SS**  -137.3165.259.7-83.3-36.5000118.3
586N23.1Very low25.9Very low166 Ų166138.8 Ų138.889%0.88879%0.791SS**  trans-104.5136.4175.4-92.9-32.3000111.9
587S24.1Very low25.9Very low116 Ų116139 Ų13981%0.81179%0.792SS**  trans-170.8144.3145.156.70000109.7
588S25Very low25.7Very low102 Ų102138.7 Ų138.771%0.71379%0.79SS**  cis-164.2139.8-21.743.80000107.3
589N26.6Very low25.4Very low151 Ų151141.6 Ų141.681%0.80780%0.798SS**  trans-66.5137.6177.5-76.3-34.8000111.9
590H24.3Very low25.3Very low180 Ų180140.8 Ų140.883%0.83379%0.793SS**  trans-131.396.2152.9-92.9-66.9000111.1
591T31.5Very low25.2Very low137 Ų137133.9 Ų133.984%0.8478%0.784SS**  trans-9693.3165.747.70000109.4
592A28Very low25.4Very low84 Ų84135.5 Ų135.569%0.69478%0.78SS**  trans-154.9153.6163.700000108.6
593D26.2Very low25.5Very low157 Ų157139.4 Ų139.484%0.8478%0.784SS**  trans87.560.2179.4-59.4-11.5000118.4
594L27.5Very low25.7Very low173 Ų173137.5 Ų137.591%0.90678%0.783SS**  trans-111.2102.3146.4-80.1169.3000109.2S596L594-S596 PolarHBondContact O-N 2.8Å
595P30.2Very low25.8Very low113 Ų113137.9 Ų137.973%0.73478%0.784SS**  trans-65.7127.517326.3-32.3000109.8L597P595-L597 PolarHBondContact O-N 3.28Å
596S25.6Very low26.1Very low110 Ų110138.1 Ų138.177%0.76978%0.784SS**  trans-53.6105.3-176.354.30000112.9L594 L598L594-S596 PolarHBondContact O-N 2.8Å; S596-L598 PolarHBondContact O-N 3.12Å
597L27.1Very low26.2Very low162 Ų162138.4 Ų138.485%0.84879%0.785SS**  trans-75.9100.5173.3-101.9149.1000110.2P595 I599P595-L597 PolarHBondContact O-N 3.28Å; L597-I599 PolarHBondContact O-N 3.39Å
598L23.3Very low26.3Very low149 Ų149144.3 Ų144.378%0.7879%0.789SS**  trans-63.796.2171.1-100.4143.3000110.7S596 V600S596-L598 PolarHBondContact O-N 3.12Å; L598-V600 VanDerWaalsContact C-N 3.34Å; L598-V600 HydrophobicContact CB-CG2 4.41Å; L598-V600 HydrophobicContact CD2-CG2 4.42Å; L598-V600 PolarHBondContact O-N 3.43Å
599I25.7Very low26.4Very low157 Ų157150.8 Ų150.881%0.80580%0.798SS**  trans-74.488.7167.9-58.1178.3000108.3L597 S601L597-I599 PolarHBondContact O-N 3.39Å; I599-S601 PolarHBondContact O-N 3.06Å; I599-S601 VanDerWaalsContact O-N 3.12Å
600V23.1Very low26.5Very low99 Ų99149.1 Ų149.160%0.680%0.795SS**  trans-78.695.6173.9-170.50000109.3L598 T602L598-V600 VanDerWaalsContact C-N 3.34Å; L598-V600 HydrophobicContact CB-CG2 4.41Å; L598-V600 HydrophobicContact CD2-CG2 4.42Å; L598-V600 PolarHBondContact O-N 3.43Å; V600-T602 VanDerWaalsContact C-N 3.34Å; V600-T602 HydrophobicContact CG1-CG2 3.7Å; V600-T602 PolarHBondContact O-N 3.17Å
601S24.6Very low26.7Very low107 Ų107144.2 Ų144.275%0.74879%0.794SS**  trans-72.288.2168.4-170.20000110I599 R603I599-S601 PolarHBondContact O-N 3.06Å; I599-S601 VanDerWaalsContact O-N 3.12Å; S601-R603 PolarHBondContact O-N 2.87Å
602T27.1Very low26.5Very low105 Ų105147.8 Ų147.864%0.64480%0.798SS**  trans-75.290.2176.248.60000111.2V600 V604V600-T602 VanDerWaalsContact C-N 3.34Å; V600-T602 HydrophobicContact CG1-CG2 3.7Å; V600-T602 PolarHBondContact O-N 3.17Å; T602-V604 VanDerWaalsContact C-N 3.31Å; T602-V604 PolarHBondContact O-N 3.25Å
603R26.2Very low26.5Very low234 Ų234148.8 Ų148.888%0.88380%0.8SS**  trans-63.696.4153.5-75.6-174178.1-179.21.5108.2S601 P605S601-R603 PolarHBondContact O-N 2.87Å; R603-P605 VanDerWaalsContact O-CD 3.3Å; R603-P605 WeakPolarHBondContact O-CD 3.35Å
604V25.5Very low26.7Very low116 Ų116147.4 Ų147.470%0.70380%0.8SS**  trans-73.9119.4174-179.80000109.1T602 L606T602-V604 VanDerWaalsContact C-N 3.31Å; T602-V604 PolarHBondContact O-N 3.25Å; V604-L606 PolarHBondContact O-N 2.83Å
605P25.8Very low26.8Very low112 Ų112146 Ų14673%0.72779%0.791SS**  trans-68.5130.8170.1-15.531.4000109.7R603 L607R603-P605 VanDerWaalsContact O-CD 3.3Å; R603-P605 WeakPolarHBondContact O-CD 3.35Å; P605-L607 PolarHBondContact O-N 3.41Å
606L28.5Very low26.5Very low171 Ų171147.5 Ų147.590%0.89579%0.793SS**  trans-68.8105.3175.9-70.2168.2000110.1V604 R608V604-L606 PolarHBondContact O-N 2.83Å; L606-R608 PolarHBondContact O-N 3.23Å
607L25.1Very low26.7Very low172 Ų172150.3 Ų150.390%0.90179%0.794SS**  trans-60.7114.3167.7-90.2157.6000109.7P605 R609P605-L607 PolarHBondContact O-N 3.41Å; L607-R609 PolarHBondContact O-N 3.25Å
608R25Very low26.7Very low240 Ų240147.5 Ų147.591%0.90679%0.788SS**PPolyproline II helixtrans-62.2125.4171.6-74.4-178.4172-177.5-3109.3L606L606-R608 PolarHBondContact O-N 3.23Å
609R27.5Very low26.9Very low237 Ų237145.6 Ų145.689%0.89479%0.787SS**PPolyproline II helixtrans-76139.8163.7-71.1-175.3174.8-172-2.1109.5L607L607-R609 PolarHBondContact O-N 3.25Å
610P28.7Very low27.2Very low116 Ų116144.1 Ų144.175%0.75379%0.788SS**PPolyproline II helixtrans-60.3144.6165.2-2032.8000110.7
611G28.3Very low27.5Very low78 Ų78151.3 Ų151.380%0.80480%0.804SS**PPolyproline II helixtrans-73.2143.3178.600000112.2
612F27.2Very low27.7Very low211 Ų211157.9 Ų157.993%0.92581%0.812SS**PPolyproline II helixtrans-85.5123.3163.1-83.4-96.1000108.9
613S28.3Very low28Very low106 Ų106159.1 Ų159.174%0.74182%0.82SS**PPolyproline II helixtrans-71.9151.4167.3-59.40000110.6
614P30.2Very low28.3Very low128 Ų128153.7 Ų153.783%0.83182%0.815SS**PPolyproline II helixtrans-70.3137.4179.2-12.828.4000111.3
615I29.2Very low28.6Very low142 Ų142159.5 Ų159.573%0.72882%0.824SS**PPolyproline II helixtrans-82.7119.8164.9-67.2175.3000107.7
616D25.1Very low29.4Very low145 Ų145160 Ų16078%0.77583%0.827SS**PPolyproline II helixtrans-79.7125.3176.9-156.3-8000109.9
617H29.1Very low29.8Very low170 Ų170162.7 Ų162.779%0.78783%0.827SS**  trans-111.770.8-178.7-87.3-46000111.1S619H617-S619 PolarHBondContact O-N 3.22Å
618S26.8Very low30.1Very low103 Ų103164.2 Ų164.272%0.7283%0.827SS**  trans-78.9106.9166.161.60000110.8
619S27.7Very low30.8Very low109 Ų109164 Ų16476%0.76283%0.826SS**  trans-142.9124.2165.6-78.30000110.4H617H617-S619 PolarHBondContact O-N 3.22Å
620P32.9Very low31.3Very low125 Ų125164.2 Ų164.281%0.81284%0.844SS**PPolyproline II helixtrans-81.9139.1-167.630.7-34.1000113R622P620-R622 PolarHBondContact O-N 3.47Å
621R28.6Very low31.4Very low250 Ų250166.7 Ų166.794%0.94385%0.848SS**PPolyproline II helixtrans-65.1116.9172.3-67.8179.4175.4-170.4-1.9110.5
622R29.7Very low31.5Very low245 Ų245171.3 Ų171.393%0.92585%0.85SS**PPolyproline II helixtrans-83.3128.2162.9-83.5-174.5172-178.5-1.4110.2P620P620-R622 PolarHBondContact O-N 3.47Å
623V32.4Very low31.8Very low131 Ų131169.1 Ų169.179%0.79485%0.846SS**PPolyproline II helixtrans-81.3137.2174.4-179.80000109.3
624P32Very low32Very low121 Ų121172.8 Ų172.879%0.78685%0.852SS**PPolyproline II helixtrans-76.6140.4175.829.9-32.3000111.9
625R32.4Very low32.1Very low237 Ų237175.6 Ų175.689%0.89485%0.854SS**  trans-108.5154.9164.5-85.6-168.8177.3-163.70.9110.1
626P42Very low32.3Very low122 Ų122177.9 Ų177.979%0.79286%0.862SS**  trans-90163.9-157.635.1-37.2000115.6
627Y37Very low32.8Very low228 Ų228180.2 Ų180.289%0.89487%0.868SS**  trans-25.9139.7170.9-83.2-96000118.2
628K31.2Very low33.1Very low205 Ų205181 Ų18189%0.89188%0.875SS**  trans-150.7143.9133.8-109.3174.2-173.8-178.70111.4
629R40Very low33.6Very low234 Ų234187.5 Ų187.588%0.88389%0.887SS**  trans-30.2152.4173.6-59173-178.4-179.5-2.4114.9
630L37.5Very low34.2Very low243 Ų243194.6 Ų194.6100%1.27290%0.899SS**  cis-128.2036.7-99.3153.1000113.8

Retrieved 630 of 630 residues in 643 ms (Link to these results)

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