A0A077Z532_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z532, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 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
1M38.4Very low39.6Very low167 Ų167126.5 Ų126.582%0.82366%0.657SS**  081.80-76.5-160.3-171.900112.7L3M1-L3 HydrophobicContact CB-CD1 3.58Å; M1-L3 HydrophobicContact CG-CD1 3.63Å; M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; M1-L3 HydrophobicContact SD-CD1 3.37Å; M1-L3 WeakPolarHBondContact SD-CD1 3.5Å
2K34.1Very low39Very low185 Ų185135 Ų13580%0.80467%0.674SS**  trans-83.243.5172.1-75-179.1176.7173.60111.6L4K2-L4 PolarHBondContact O-N 3.36Å; K2-L4 VanDerWaalsContact O-N 3.09Å
3L46.5Very low38.8Very low33 Ų33134.4 Ų134.417%0.17369%0.686CS.*THydrogen-bonded Turntrans-64.2-16.3-168.3-89.3137.8000115.3M1 F16 W20 I82M1-L3 HydrophobicContact CB-CD1 3.58Å; M1-L3 HydrophobicContact CG-CD1 3.63Å; M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; M1-L3 HydrophobicContact SD-CD1 3.37Å; M1-L3 WeakPolarHBondContact SD-CD1 3.5Å; L3-F16 HydrophobicContact CD2-CE2 4.18Å; L3-F16 HydrophobicContact CD2-CZ 4.34Å; L3-W20 HydrophobicContact CD2-CZ2 4.18Å; L3-I82 HydrophobicContact CB-CG2 4.03Å; L3-I82 HydrophobicContact CD1-CG2 3.23Å; L3-I82 HydrophobicContact CD2-CG2 4.02Å; L3-I82 HydrophobicContact CG-CG2 3.91Å
4L42.7Very low38.6Very low91 Ų91132.1 Ų132.148%0.47668%0.681SS.*THydrogen-bonded Turntrans-139.450.1-174.1-65.9168.8000110.5K2 K6K2-L4 PolarHBondContact O-N 3.36Å; K2-L4 VanDerWaalsContact O-N 3.09Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.27Å
5N37.3Very low39.2Very low123 Ų123128.4 Ų128.466%0.65867%0.669SS**  trans-53.3112.2157.6-91.5-5.8000106.2A7N5-A7 PolarHBondContact O-N 3.44Å
6K35.6Very low40.3Very low198 Ų198123.7 Ų123.786%0.86164%0.642SS**  trans-37.7125.6174.6-77175172.91780107L4 D8L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.27Å; K6-D8 PolarHBondContact O-N 3.22Å
7A40.4Very low41.3Very low93 Ų93120.8 Ų120.877%0.76963%0.631SS**  trans-47.2110.5176.600000107.7N5 P9N5-A7 PolarHBondContact O-N 3.44Å; A7-P9 VanDerWaalsContact O-CD 3.29Å; A7-P9 WeakPolarHBondContact O-CD 3.47Å
8D39.5Very low42.7Very low78 Ų78118.7 Ų118.742%0.41762%0.621SS.*  trans-65.2113.5170178.4-7.4000105.1K6 N10 K11K6-D8 PolarHBondContact O-N 3.22Å; D8-N10 PolarHBondContact O-N 3.18Å; D8-N10 PolarHBondContact OD1-N 3.22Å; D8-K11 HydrophobicContact CB-CB 4.44Å; D8-K11 PolarHBondContact O-N 3.23Å
9P47Very low44.4Very low120 Ų120117.1 Ų117.178%0.77961%0.612SS**THydrogen-bonded Turntrans-60.4-14.6-173.623.4-32.2000112.8A7A7-P9 VanDerWaalsContact O-CD 3.29Å; A7-P9 WeakPolarHBondContact O-CD 3.47Å
10N41.1Very low46.1Very low149 Ų149112.3 Ų112.380%0.79759%0.586SS**THydrogen-bonded Turntrans-95.7-1.6179.5-69.7-22.1000114.6D8D8-N10 PolarHBondContact O-N 3.18Å; D8-N10 PolarHBondContact OD1-N 3.22Å
11K32.9Very low47.5Very low154 Ų154110.3 Ų110.367%0.6758%0.576SS**SBendtrans-103.6134.1174.9-78.1-174.5177.6-178.30111.3D8D8-K11 HydrophobicContact CB-CB 4.44Å; D8-K11 PolarHBondContact O-N 3.23Å
12R32.1Very low49.4Very low229 Ų229106 Ų10686%0.86456%0.559SS**  trans-51.3135.7169.4-73.5-176179.9-176.60.1108.6V14R12-V14 PolarHBondContact O-N 2.78Å
13P36.7Very low51.2Low127 Ų12798.1 Ų98.183%0.82553%0.526SS*.  trans-60.6105.1177.922.6-30.1000108.6
14V35.7Very low52.4Low103 Ų10397.4 Ų97.462%0.62453%0.527SS*.  trans-69.7126.1172.8-1680000106.5R12 F16 D18R12-V14 PolarHBondContact O-N 2.78Å; V14-F16 PolarHBondContact O-N 3.43Å; V14-F16 VanDerWaalsContact O-N 3.17Å; V14-D18 WeakPolarHBondContact CG1-OD2 3.26Å
15P48.3Very low53.9Low76 Ų7695.1 Ų95.149%0.49452%0.517SS..  trans-54123.8175.2-21.431.7000109.1T17 D18P15-T17 PolarHBondContact O-N 3.48Å; P15-D18 PolarHBondContact O-N 3.46Å; P15-D18 VanDerWaalsContact O-N 3.09Å
16F57.3Low55.6Low53 Ų5389.4 Ų89.423%0.23249%0.486CS..G310 helixtrans-54.9-24.2-177.9171.7-96.2000113L3 V14 D18 W20 L37 F94L3-F16 HydrophobicContact CD2-CE2 4.18Å; L3-F16 HydrophobicContact CD2-CZ 4.34Å; V14-F16 PolarHBondContact O-N 3.43Å; V14-F16 VanDerWaalsContact O-N 3.17Å; F16-D18 VanDerWaalsContact C-N 3.34Å; F16-D18 PolarHBondContact O-N 3.12Å; F16-W20 HydrophobicContact CE1-CG 4.2Å; F16-W20 AromaticContact CZ-CD1 3.92Å; F16-W20 HydrophobicContact CZ-CD2 4.42Å; F16-W20 HydrophobicContact CZ-CG 4.25Å; F16-W20 AromaticContact CZ-NE1 3.9Å; F16-L37 HydrophobicContact CD1-CD2 4.32Å; F16-L37 HydrophobicContact CE1-CD2 3.59Å; F16-F94 AromaticContact CD1-CE1 3.92Å; F16-F94 HydrophobicContact CD1-CE1 3.92Å; F16-F94 AromaticContact CD1-CZ 3.86Å; F16-F94 HydrophobicContact CD1-CZ 3.86Å; F16-F94 HydrophobicContact CE1-CD1 4.11Å; F16-F94 AromaticContact CE1-CE1 3.2Å; F16-F94 HydrophobicContact CE1-CE1 3.2Å; F16-F94 AromaticContact CE1-CZ 3.59Å; F16-F94 HydrophobicContact CE1-CZ 3.59Å; F16-F94 HydrophobicContact CE2-CE1 4.39Å; F16-F94 HydrophobicContact CE2-CZ 4.37Å; F16-F94 HydrophobicContact CG-CZ 4.38Å; F16-F94 HydrophobicContact CZ-CD1 4.03Å; F16-F94 AromaticContact CZ-CE1 3.49Å; F16-F94 HydrophobicContact CZ-CE1 3.49Å; F16-F94 VanDerWaalsContact CZ-CE1 3.49Å; F16-F94 AromaticContact CZ-CZ 3.86Å; F16-F94 HydrophobicContact CZ-CZ 3.86Å
17T56.6Low57.1Low75 Ų7580.2 Ų80.246%0.4645%0.447SS..G310 helixtrans-76.7-9.2-178.651.30000114.8P15 D19 W20P15-T17 PolarHBondContact O-N 3.48Å; T17-D19 PolarHBondContact O-N 2.97Å; T17-D19 VanDerWaalsContact O-N 3.15Å; T17-W20 CarbonylContact O-C 3.55Å; T17-W20 PolarHBondContact O-N 3.13Å; T17-W20 VanDerWaalsContact O-N 3.07Å
18D66.3Low58.4Low83 Ų8379 Ų7944%0.44443%0.426SS..G310 helixtrans-58.5-36.3-173.6-76.5-4.4000112.3V14 P15 F16 R40V14-D18 WeakPolarHBondContact CG1-OD2 3.26Å; P15-D18 PolarHBondContact O-N 3.46Å; P15-D18 VanDerWaalsContact O-N 3.09Å; F16-D18 VanDerWaalsContact C-N 3.34Å; F16-D18 PolarHBondContact O-N 3.12Å; D18-R40 PolarHBondContact O-NH1 2.92Å
19D76.1Confident59.5Low87 Ų8776.3 Ų76.347%0.46542%0.416SS..G310 helixtrans-99.5-5.4177.3-64.3-39.2000114.2T17 R40T17-D19 PolarHBondContact O-N 2.97Å; T17-D19 VanDerWaalsContact O-N 3.15Å; D19-R40 WeakPolarHBondContact O-CB 3.36Å; D19-R40 VanDerWaalsContact O-CG 3.31Å; D19-R40 WeakPolarHBondContact O-CG 3.48Å; D19-R40 PolarHBondContact O-N 3.34Å
20W78.4Confident59.8Low21 Ų2172.7 Ų72.78%0.0839%0.394CS..EExtended strand (participates in β ladder)trans-122.1116.7-173.6-68.584.5000111.5L3 F16 T17 L37 V38 H39 D44 V46L3-W20 HydrophobicContact CD2-CZ2 4.18Å; F16-W20 HydrophobicContact CE1-CG 4.2Å; F16-W20 AromaticContact CZ-CD1 3.92Å; F16-W20 HydrophobicContact CZ-CD2 4.42Å; F16-W20 HydrophobicContact CZ-CG 4.25Å; F16-W20 AromaticContact CZ-NE1 3.9Å; T17-W20 CarbonylContact O-C 3.55Å; T17-W20 PolarHBondContact O-N 3.13Å; T17-W20 VanDerWaalsContact O-N 3.07Å; W20-L37 HydrophobicContact CB-CB 4.45Å; W20-L37 HydrophobicContact CB-CD2 4.22Å; W20-L37 HydrophobicContact CE3-CB 3.78Å; W20-L37 HydrophobicContact CZ3-CB 4.48Å; W20-V38 WeakPolarHBondContact CA-O 3.42Å; W20-V38 VanDerWaalsContact CE3-C 3.5Å; W20-H39 HydrophobicContact CD2-CB 4.16Å; W20-H39 AromaticContact CE2-CD2 3.72Å; W20-H39 HydrophobicContact CE3-CB 3.94Å; W20-H39 VanDerWaalsContact CE3-N 3.28Å; W20-H39 HydrophobicContact CH2-CB 3.85Å; W20-H39 HydrophobicContact CZ2-CB 4.04Å; W20-H39 AromaticContact CZ2-CD2 3.64Å; W20-H39 HydrophobicContact CZ3-CB 3.8Å; W20-H39 AromaticContact NE1-CD2 3.9Å; W20-D44 HydrophobicContact CH2-CB 4.3Å; W20-D44 WeakPolarHBondContact CZ3-O 3.42Å; W20-V46 HydrophobicContact CH2-CB 4.23Å; W20-V46 HydrophobicContact CH2-CG2 3.5Å; W20-V46 HydrophobicContact CZ3-CB 3.87Å; W20-V46 HydrophobicContact CZ3-CG2 3.63Å
21D75.5Confident60.8Low71 Ų7168.6 Ų68.638%0.3837%0.369SS..EExtended strand (participates in β ladder)trans-81.1128.6174.4-67.5-29.2000109.9V23 L37 V38 R40D21-V23 WeakPolarHBondContact O-CG2 3.48Å; D21-V23 PolarHBondContact O-N 3.11Å; D21-L37 VanDerWaalsContact O-CA 3.3Å; D21-L37 WeakPolarHBondContact O-CA 3.48Å; D21-V38 PolarHBondContact N-O 3.32Å; D21-V38 PolarHBondContact O-N 2.89Å; D21-R40 WeakPolarHBondContact OD1-CD 3.41Å; D21-R40 IonicContact OD1-NE 3.23Å; D21-R40 WeakPolarHBondContact OD2-CG 3.31Å
22V78.5Confident62.7Low78 Ų7862.4 Ų62.447%0.47335%0.349SS..EExtended strand (participates in β ladder)trans-80.4102.2170.7-179.60000107.8K35 L37V22-K35 HydrophobicContact CG1-CB 4.13Å; V22-K35 HydrophobicContact CG1-CD 3.51Å; V22-K35 HydrophobicContact CG1-CG 4.41Å; V22-L37 HydrophobicContact CG2-CD1 4.38Å; V22-L37 HydrophobicContact CG2-CG 4.28Å
23V71.3Confident65.2Low19 Ų1954.3 Ų54.312%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-85.1-31.1-169.2-154.30000112.2D21 L36 V38 L359 L362 L363D21-V23 WeakPolarHBondContact O-CG2 3.48Å; D21-V23 PolarHBondContact O-N 3.11Å; V23-L36 HydrophobicContact CB-CD2 4.36Å; V23-L36 HydrophobicContact CB-CG 4.45Å; V23-L36 HydrophobicContact CG2-CD2 4.48Å; V23-L36 HydrophobicContact CG2-CG 4.33Å; V23-L36 PolarHBondContact N-O 3.35Å; V23-V38 HydrophobicContact CG2-CB 3.78Å; V23-V38 HydrophobicContact CG2-CG2 3.68Å; V23-L359 HydrophobicContact CG1-CD1 4.27Å; V23-L359 HydrophobicContact CG2-CD1 4.25Å; V23-L362 HydrophobicContact CB-CB 4.17Å; V23-L362 HydrophobicContact CB-CD1 4.35Å; V23-L362 HydrophobicContact CG1-CB 3.37Å; V23-L362 HydrophobicContact CG1-CD1 4.39Å; V23-L362 HydrophobicContact CG1-CG 4.46Å; V23-L363 HydrophobicContact CG1-CD2 3.84Å; V23-L363 HydrophobicContact CG1-CG 4.24Å
24G70.9Confident67.6Low18 Ų1848.5 Ų48.519%0.18628%0.283CS..EExtended strand (participates in β ladder)trans172.5170.8172.700000114.7K35 L36G24-K35 CarbonylContact O-C 3.49Å; G24-K35 VanDerWaalsContact O-CA 3.27Å; G24-K35 WeakPolarHBondContact O-CA 3.34Å; G24-L36 PolarHBondContact O-N 2.73Å
25T75.2Confident69.9Low42 Ų4245.9 Ų45.926%0.25826%0.264SS..EExtended strand (participates in β ladder)trans-79.5125.3174.6-58.50000109.8E28 E33 V34T25-E28 HydrophobicContact CG2-CG 3.68Å; T25-E33 HydrophobicContact CG2-CB 4.2Å; T25-E33 PolarHBondContact OG1-OE2 2.74Å; T25-V34 CarbonylContact C-O 2.7Å
26L71.8Confident71.7Confident3 Ų342.3 Ų42.32%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-83.6-52.3179.3-55.1-161.6000110.4V34 L36 A47 Y97 S354 Q355 P356 L362L26-V34 WeakPolarHBondContact CA-O 3.43Å; L26-V34 HydrophobicContact CB-CB 4.12Å; L26-V34 HydrophobicContact CB-CG1 3.94Å; L26-V34 WeakPolarHBondContact CB-O 3.35Å; L26-V34 HydrophobicContact CD1-CG1 4.05Å; L26-V34 HydrophobicContact CG-CG1 4.26Å; L26-V34 PolarHBondContact N-O 2.85Å; L26-L36 HydrophobicContact CD1-CB 3.92Å; L26-L36 HydrophobicContact CD2-CB 3.27Å; L26-L36 HydrophobicContact CD2-CG 4.49Å; L26-L36 HydrophobicContact CG-CB 3.94Å; L26-A47 HydrophobicContact CD1-CB 3.96Å; L26-Y97 HydrophobicContact CD1-CD2 4.1Å; L26-Y97 HydrophobicContact CD1-CE2 4.11Å; L26-S354 CarbonylContact C-O 3.09Å; L26-S354 WeakPolarHBondContact CA-O 3.19Å; L26-S354 WeakPolarHBondContact CB-O 3.49Å; L26-S354 CarbonylContact O-C 3.56Å; L26-S354 VanDerWaalsContact O-C 3.29Å; L26-S354 PolarHBondContact O-OG 3.27Å; L26-Q355 HydrophobicContact CB-CB 4.48Å; L26-Q355 HydrophobicContact CB-CG 4.25Å; L26-Q355 HydrophobicContact CD1-CB 4.08Å; L26-Q355 HydrophobicContact CD1-CG 3.72Å; L26-P356 HydrophobicContact CD2-CG 3.23Å; L26-P356 HydrophobicContact CG-CG 4.38Å; L26-L362 HydrophobicContact CD2-CD1 4.36Å
27G68.1Low73Confident5 Ų540 Ų405%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-152.8159.7-178.600000110.6E33 V34 S354G27-E33 CarbonylContact O-C 3.48Å; G27-E33 WeakPolarHBondContact O-CA 3.3Å; G27-V34 PolarHBondContact N-O 3.42Å; G27-V34 PolarHBondContact O-N 3.5Å; G27-S354 PolarHBondContact N-O 3.07Å; G27-S354 VanDerWaalsContact N-O 3.1Å
28E67.8Low74.1Confident69 Ų6936.7 Ų36.732%0.32221%0.21SC..EExtended strand (participates in β ladder)trans-130129.6-177.2-68.6175.5-155.800109T25 E33 I351 K434T25-E28 HydrophobicContact CG2-CG 3.68Å; E28-E33 HydrophobicContact CG-CB 4.38Å; E28-I351 WeakPolarHBondContact O-CG2 3.4Å; E28-K434 IonicContact OE1-NZ 2.78Å; E28-K434 PolarHBondContact OE1-NZ 3.32Å; E28-K434 IonicContact OE2-NZ 2.8Å; E28-K434 PolarHBondContact OE2-NZ 3.42Å
29G61.3Low74.6Confident20 Ų2033.8 Ų33.821%0.20619%0.194CC..EExtended strand (participates in β ladder)trans-132171.3-170.300000113.8F31 G32G29-F31 PolarHBondContact O-N 3.33Å; G29-G32 CarbonylContact C-O 3.57Å; G29-G32 VanDerWaalsContact CA-O 3.3Å; G29-G32 WeakPolarHBondContact CA-O 3.47Å; G29-G32 PolarHBondContact N-O 2.74Å; G29-G32 PolarHBondContact O-N 3.17Å; G29-G32 VanDerWaalsContact O-O 3.14Å
30S54.6Low74.5Confident44 Ų4436.7 Ų36.731%0.30820%0.198SC..THydrogen-bonded Turntrans-65.5-27.1178.543.60000112.5I351S30-I351 VanDerWaalsContact CA-CD1 3.49Å
31F61.9Low74.4Confident63 Ų6343 Ų4328%0.27623%0.229SC..THydrogen-bonded Turntrans-93.7-12.4-179.5-58.9-72.4000112.5G29 M51 C52 M163G29-F31 PolarHBondContact O-N 3.33Å; F31-M51 HydrophobicContact CB-CG 4.16Å; F31-M51 WeakPolarHBondContact O-CA 3.47Å; F31-C52 PolarHBondContact O-N 2.99Å; F31-C52 VanDerWaalsContact O-N 3.15Å; F31-M163 HydrophobicContact CE2-CE 4.42Å
32G73.3Confident74.4Confident25 Ų2545.3 Ų45.326%0.25824%0.237SC..EExtended strand (participates in β ladder)trans145-154.8177.200000112.5G29 I50G29-G32 CarbonylContact C-O 3.57Å; G29-G32 VanDerWaalsContact CA-O 3.3Å; G29-G32 WeakPolarHBondContact CA-O 3.47Å; G29-G32 PolarHBondContact N-O 2.74Å; G29-G32 PolarHBondContact O-N 3.17Å; G29-G32 VanDerWaalsContact O-O 3.14Å; G32-I50 CarbonylContact C-O 3.47Å; G32-I50 VanDerWaalsContact CA-O 3.23Å; G32-I50 WeakPolarHBondContact CA-O 3.16Å
33E84.1Confident74.1Confident59 Ų5947.6 Ų47.628%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-118.4151.3-17258.8-179.2167.200112.1T25 G27 E28 K35 I50T25-E33 HydrophobicContact CG2-CB 4.2Å; T25-E33 PolarHBondContact OG1-OE2 2.74Å; G27-E33 CarbonylContact O-C 3.48Å; G27-E33 WeakPolarHBondContact O-CA 3.3Å; E28-E33 HydrophobicContact CG-CB 4.38Å; E33-K35 HydrophobicContact CG-CG 4.46Å; E33-K35 WeakPolarHBondContact OE1-CE 3.31Å; E33-K35 IonicContact OE1-NZ 3.4Å; E33-K35 PolarHBondContact OE1-NZ 3.39Å; E33-K35 WeakPolarHBondContact OE2-CE 3.22Å; E33-K35 IonicContact OE2-NZ 3.82Å; E33-I50 HydrophobicContact CG-CB 4.32Å; E33-I50 HydrophobicContact CG-CD1 4.19Å; E33-I50 PolarHBondContact N-O 2.9Å; E33-I50 WeakPolarHBondContact O-CB 3.3Å; E33-I50 PolarHBondContact O-N 3.33Å
34V86Confident74.5Confident5 Ų549.7 Ų49.73%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-102.8129.7171.4-175.80000107.7T25 L26 G27 A47 V48 K49 F353T25-V34 CarbonylContact C-O 2.7Å; L26-V34 WeakPolarHBondContact CA-O 3.43Å; L26-V34 HydrophobicContact CB-CB 4.12Å; L26-V34 HydrophobicContact CB-CG1 3.94Å; L26-V34 WeakPolarHBondContact CB-O 3.35Å; L26-V34 HydrophobicContact CD1-CG1 4.05Å; L26-V34 HydrophobicContact CG-CG1 4.26Å; L26-V34 PolarHBondContact N-O 2.85Å; G27-V34 PolarHBondContact N-O 3.42Å; G27-V34 PolarHBondContact O-N 3.5Å; V34-A47 HydrophobicContact CG1-CB 4.16Å; V34-V48 CarbonylContact C-O 3.59Å; V34-V48 WeakPolarHBondContact CA-O 3.22Å; V34-K49 HydrophobicContact CG2-CB 4.08Å; V34-K49 HydrophobicContact CG2-CD 4.48Å; V34-K49 HydrophobicContact CG2-CG 3.98Å; V34-F353 HydrophobicContact CG2-CB 4.32Å; V34-F353 HydrophobicContact CG2-CD1 3.8Å
35K85.1Confident75.1Confident48 Ų4850.5 Ų50.521%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-120.7149.7176.5-57.8-167.1-177.6177.40112.1V22 G24 E33 L37 A47 V48 I50V22-K35 HydrophobicContact CG1-CB 4.13Å; V22-K35 HydrophobicContact CG1-CD 3.51Å; V22-K35 HydrophobicContact CG1-CG 4.41Å; G24-K35 CarbonylContact O-C 3.49Å; G24-K35 VanDerWaalsContact O-CA 3.27Å; G24-K35 WeakPolarHBondContact O-CA 3.34Å; E33-K35 HydrophobicContact CG-CG 4.46Å; E33-K35 WeakPolarHBondContact OE1-CE 3.31Å; E33-K35 IonicContact OE1-NZ 3.4Å; E33-K35 PolarHBondContact OE1-NZ 3.39Å; E33-K35 WeakPolarHBondContact OE2-CE 3.22Å; E33-K35 IonicContact OE2-NZ 3.82Å; K35-L37 HydrophobicContact CB-CD1 4.1Å; K35-A47 CarbonylContact O-C 3.54Å; K35-A47 WeakPolarHBondContact O-CA 3.29Å; K35-V48 HydrophobicContact CB-CG1 3.93Å; K35-V48 PolarHBondContact N-O 3.34Å; K35-V48 PolarHBondContact O-N 3.19Å; K35-I50 HydrophobicContact CD-CD1 4Å; K35-I50 HydrophobicContact CG-CD1 4.12Å
36L84.8Confident75.8Confident0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-88129169.517664.7000108.7V23 G24 L26 V38 Y97 L359 L362V23-L36 HydrophobicContact CB-CD2 4.36Å; V23-L36 HydrophobicContact CB-CG 4.45Å; V23-L36 HydrophobicContact CG2-CD2 4.48Å; V23-L36 HydrophobicContact CG2-CG 4.33Å; V23-L36 PolarHBondContact N-O 3.35Å; G24-L36 PolarHBondContact O-N 2.73Å; L26-L36 HydrophobicContact CD1-CB 3.92Å; L26-L36 HydrophobicContact CD2-CB 3.27Å; L26-L36 HydrophobicContact CD2-CG 4.49Å; L26-L36 HydrophobicContact CG-CB 3.94Å; L36-V38 HydrophobicContact CD1-CG2 4.32Å; L36-V38 HydrophobicContact CD2-CG2 4.25Å; L36-V38 HydrophobicContact CG-CG2 4.07Å; L36-Y97 HydrophobicContact CD1-CD1 4.18Å; L36-Y97 HydrophobicContact CD1-CD2 3.71Å; L36-Y97 HydrophobicContact CD1-CE1 4.36Å; L36-Y97 HydrophobicContact CD1-CE2 3.91Å; L36-Y97 HydrophobicContact CD1-CG 3.82Å; L36-Y97 HydrophobicContact CD2-CE2 4.42Å; L36-L359 HydrophobicContact CD2-CD1 3.79Å; L36-L362 HydrophobicContact CB-CD1 4.2Å; L36-L362 HydrophobicContact CD2-CD1 3.32Å; L36-L362 HydrophobicContact CG-CD1 4.36Å
37L85.3Confident76.6Confident5 Ų548.4 Ų48.43%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-112.5135.4171.2-8068.7000108.1F16 W20 D21 V22 K35 S45 V46 V48 F94F16-L37 HydrophobicContact CD1-CD2 4.32Å; F16-L37 HydrophobicContact CE1-CD2 3.59Å; W20-L37 HydrophobicContact CB-CB 4.45Å; W20-L37 HydrophobicContact CB-CD2 4.22Å; W20-L37 HydrophobicContact CE3-CB 3.78Å; W20-L37 HydrophobicContact CZ3-CB 4.48Å; D21-L37 VanDerWaalsContact O-CA 3.3Å; D21-L37 WeakPolarHBondContact O-CA 3.48Å; V22-L37 HydrophobicContact CG2-CD1 4.38Å; V22-L37 HydrophobicContact CG2-CG 4.28Å; K35-L37 HydrophobicContact CB-CD1 4.1Å; L37-S45 WeakPolarHBondContact O-CA 3.47Å; L37-V46 PolarHBondContact N-O 3.14Å; L37-V46 PolarHBondContact O-N 2.76Å; L37-V48 HydrophobicContact CD1-CB 3.94Å; L37-V48 HydrophobicContact CD1-CG1 3.25Å; L37-V48 HydrophobicContact CD2-CG1 4.47Å; L37-F94 HydrophobicContact CD2-CE1 4.23Å
38V79.9Confident77.7Confident6 Ų648.4 Ų48.44%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-122.7130.7173.6172.30000110.7W20 D21 V23 L36 R40 D44 S45 L359W20-V38 WeakPolarHBondContact CA-O 3.42Å; W20-V38 VanDerWaalsContact CE3-C 3.5Å; D21-V38 PolarHBondContact N-O 3.32Å; D21-V38 PolarHBondContact O-N 2.89Å; V23-V38 HydrophobicContact CG2-CB 3.78Å; V23-V38 HydrophobicContact CG2-CG2 3.68Å; L36-V38 HydrophobicContact CD1-CG2 4.32Å; L36-V38 HydrophobicContact CD2-CG2 4.25Å; L36-V38 HydrophobicContact CG-CG2 4.07Å; V38-R40 PolarHBondContact O-N 2.84Å; V38-D44 WeakPolarHBondContact CA-O 3.34Å; V38-S45 WeakPolarHBondContact CG2-OG 3.34Å; V38-L359 HydrophobicContact CB-CD1 4.29Å; V38-L359 HydrophobicContact CG1-CD2 4.11Å; V38-L359 HydrophobicContact CG2-CD1 3.28Å; V38-L359 HydrophobicContact CG2-CD2 3.92Å; V38-L359 HydrophobicContact CG2-CG 4.23Å
39H77Confident78.8Confident21 Ų2145.4 Ų45.410%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-70.6122.3178.4-169.1-56.2000109.4W20 Q41 Q42 H43 D44W20-H39 HydrophobicContact CD2-CB 4.16Å; W20-H39 AromaticContact CE2-CD2 3.72Å; W20-H39 HydrophobicContact CE3-CB 3.94Å; W20-H39 VanDerWaalsContact CE3-N 3.28Å; W20-H39 HydrophobicContact CH2-CB 3.85Å; W20-H39 HydrophobicContact CZ2-CB 4.04Å; W20-H39 AromaticContact CZ2-CD2 3.64Å; W20-H39 HydrophobicContact CZ3-CB 3.8Å; W20-H39 AromaticContact NE1-CD2 3.9Å; H39-Q41 VanDerWaalsContact C-N 3.31Å; H39-Q41 PolarHBondContact ND1-N 3.36Å; H39-Q41 PolarHBondContact O-N 3.35Å; H39-Q42 HydrophobicContact CB-CB 4.22Å; H39-Q42 PolarHBondContact ND1-N 3.09Å; H39-H43 VanDerWaalsContact O-CA 3.28Å; H39-H43 WeakPolarHBondContact O-CA 3.43Å; H39-H43 PolarHBondContact O-N 3.48Å; H39-D44 HydrophobicContact CB-CB 4.12Å; H39-D44 PolarHBondContact N-O 3.4Å
40R74.5Confident80.2Confident148 Ų14845.4 Ų45.456%0.55822%0.223SC*.THydrogen-bonded Turntrans-56.6-39.8-172.7-69.4176.175.4179.25.1114.3D18 D19 D21 V38D18-R40 PolarHBondContact O-NH1 2.92Å; D19-R40 WeakPolarHBondContact O-CB 3.36Å; D19-R40 VanDerWaalsContact O-CG 3.31Å; D19-R40 WeakPolarHBondContact O-CG 3.48Å; D19-R40 PolarHBondContact O-N 3.34Å; D21-R40 WeakPolarHBondContact OD1-CD 3.41Å; D21-R40 IonicContact OD1-NE 3.23Å; D21-R40 WeakPolarHBondContact OD2-CG 3.31Å; V38-R40 PolarHBondContact O-N 2.84Å
41Q75.3Confident81.8Confident154 Ų15443.5 Ų43.572%0.7221%0.209SC*.THydrogen-bonded Turntrans-93-40.6-179-61.2179.1-0.400114.5H39H39-Q41 VanDerWaalsContact C-N 3.31Å; H39-Q41 PolarHBondContact ND1-N 3.36Å; H39-Q41 PolarHBondContact O-N 3.35Å
42Q75.1Confident83.1Confident119 Ų11942.9 Ų42.956%0.55621%0.212SC*.THydrogen-bonded Turntrans-89.7-15.5-173.5-64.4-177.2-8.600112.7H39 D44H39-Q42 HydrophobicContact CB-CB 4.22Å; H39-Q42 PolarHBondContact ND1-N 3.09Å; Q42-D44 HydrophobicContact CB-CB 4.34Å; Q42-D44 PolarHBondContact O-N 2.96Å; Q42-D44 VanDerWaalsContact O-N 3.07Å; Q42-D44 PolarHBondContact OE1-OD2 3.36Å
43H72.8Confident83.7Confident126 Ų12642.3 Ų42.358%0.58320%0.203SC*.  trans57.412.1-170.2-60-78.6000114.6H39H39-H43 VanDerWaalsContact O-CA 3.28Å; H39-H43 WeakPolarHBondContact O-CA 3.43Å; H39-H43 PolarHBondContact O-N 3.48Å
44D80.2Confident83.8Confident64 Ų6444 Ų4434%0.34221%0.213SC..  trans-60.1136171.7-79.1-1.4000110.4W20 V38 H39 Q42W20-D44 HydrophobicContact CH2-CB 4.3Å; W20-D44 WeakPolarHBondContact CZ3-O 3.42Å; V38-D44 WeakPolarHBondContact CA-O 3.34Å; H39-D44 HydrophobicContact CB-CB 4.12Å; H39-D44 PolarHBondContact N-O 3.4Å; Q42-D44 HydrophobicContact CB-CB 4.34Å; Q42-D44 PolarHBondContact O-N 2.96Å; Q42-D44 VanDerWaalsContact O-N 3.07Å; Q42-D44 PolarHBondContact OE1-OD2 3.36Å
45S84Confident83.5Confident34 Ų3446.3 Ų46.324%0.23824%0.239CC..EExtended strand (participates in β ladder)trans-109.6134.6-177.3-69.80000111.9L37 V38L37-S45 WeakPolarHBondContact O-CA 3.47Å; V38-S45 WeakPolarHBondContact CG2-OG 3.34Å
46V88.2Confident83.5Confident1 Ų149.7 Ų49.71%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-137.1137.3-178.6168.70000109.9W20 L37 I82 F94 L95W20-V46 HydrophobicContact CH2-CB 4.23Å; W20-V46 HydrophobicContact CH2-CG2 3.5Å; W20-V46 HydrophobicContact CZ3-CB 3.87Å; W20-V46 HydrophobicContact CZ3-CG2 3.63Å; L37-V46 PolarHBondContact N-O 3.14Å; L37-V46 PolarHBondContact O-N 2.76Å; V46-I82 HydrophobicContact CB-CD1 4.32Å; V46-I82 HydrophobicContact CG1-CD1 3.87Å; V46-I82 HydrophobicContact CG2-CD1 3.59Å; V46-F94 HydrophobicContact CG1-CB 4.16Å; V46-F94 HydrophobicContact CG1-CD1 4.04Å; V46-L95 WeakPolarHBondContact CG1-O 3.44Å
47A90Very high83.7Confident0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-91.5131.4169.100000109.7L26 V34 K35 L95L26-A47 HydrophobicContact CD1-CB 3.96Å; V34-A47 HydrophobicContact CG1-CB 4.16Å; K35-A47 CarbonylContact O-C 3.54Å; K35-A47 WeakPolarHBondContact O-CA 3.29Å; A47-L95 HydrophobicContact CB-CB 4.42Å; A47-L95 PolarHBondContact N-O 3.46Å; A47-L95 PolarHBondContact O-N 3.11Å
48V90.5Very high83.7Confident5 Ų557.2 Ų57.23%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-109.8120.1170.372.80000109.8V34 K35 L37 I50 Y92 L93 F94V34-V48 CarbonylContact C-O 3.59Å; V34-V48 WeakPolarHBondContact CA-O 3.22Å; K35-V48 HydrophobicContact CB-CG1 3.93Å; K35-V48 PolarHBondContact N-O 3.34Å; K35-V48 PolarHBondContact O-N 3.19Å; L37-V48 HydrophobicContact CD1-CB 3.94Å; L37-V48 HydrophobicContact CD1-CG1 3.25Å; L37-V48 HydrophobicContact CD2-CG1 4.47Å; V48-I50 HydrophobicContact CG1-CD1 4.21Å; V48-I50 HydrophobicContact CG1-CG1 3.96Å; V48-I50 HydrophobicContact CG2-CG1 4.35Å; V48-Y92 HydrophobicContact CG2-CD1 4.16Å; V48-L93 CarbonylContact C-O 3.4Å; V48-L93 WeakPolarHBondContact CA-O 3.21Å; V48-F94 HydrophobicContact CB-CD1 4.05Å; V48-F94 HydrophobicContact CB-CE1 4.07Å; V48-F94 HydrophobicContact CG2-CD1 3.83Å; V48-F94 HydrophobicContact CG2-CE1 3.64Å; V48-F94 HydrophobicContact CG2-CG 4.43Å; V48-F94 HydrophobicContact CG2-CZ 4.11Å
49K90.6Very high84Confident6 Ų660.1 Ų60.13%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-89.1112.7168.6-174.6171-178-178.10108.3V34 M51 E66 L93 L95 D160V34-K49 HydrophobicContact CG2-CB 4.08Å; V34-K49 HydrophobicContact CG2-CD 4.48Å; V34-K49 HydrophobicContact CG2-CG 3.98Å; K49-M51 HydrophobicContact CD-SD 4.44Å; K49-M51 HydrophobicContact CG-CE 4.38Å; K49-M51 HydrophobicContact CG-CG 4.2Å; K49-M51 HydrophobicContact CG-SD 4.43Å; K49-E66 VanDerWaalsContact NZ-CD 3.33Å; K49-E66 IonicContact NZ-OE1 3.66Å; K49-E66 PolarHBondContact NZ-OE1 3.4Å; K49-E66 IonicContact NZ-OE2 3.72Å; K49-E66 PolarHBondContact NZ-OE2 3.08Å; K49-L93 HydrophobicContact CB-CB 4.31Å; K49-L93 PolarHBondContact N-O 3.45Å; K49-L93 PolarHBondContact O-N 3.2Å; K49-L95 HydrophobicContact CB-CD1 4.43Å; K49-D160 IonicContact NZ-OD1 2.73Å; K49-D160 PolarHBondContact NZ-OD1 3.3Å
50I90.5Very high84.5Confident20 Ų2061.1 Ų61.110%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-96.2119.9-177.9-50.6-179000107.6G32 E33 K35 V48 T90 Y92G32-I50 CarbonylContact C-O 3.47Å; G32-I50 VanDerWaalsContact CA-O 3.23Å; G32-I50 WeakPolarHBondContact CA-O 3.16Å; E33-I50 HydrophobicContact CG-CB 4.32Å; E33-I50 HydrophobicContact CG-CD1 4.19Å; E33-I50 PolarHBondContact N-O 2.9Å; E33-I50 WeakPolarHBondContact O-CB 3.3Å; E33-I50 PolarHBondContact O-N 3.33Å; K35-I50 HydrophobicContact CD-CD1 4Å; K35-I50 HydrophobicContact CG-CD1 4.12Å; V48-I50 HydrophobicContact CG1-CD1 4.21Å; V48-I50 HydrophobicContact CG1-CG1 3.96Å; V48-I50 HydrophobicContact CG2-CG1 4.35Å; I50-T90 HydrophobicContact CG2-CG2 3.45Å; I50-T90 VanDerWaalsContact CG2-CG2 3.45Å; I50-Y92 HydrophobicContact CB-CD1 4.46Å; I50-Y92 HydrophobicContact CD1-CD1 4.38Å; I50-Y92 HydrophobicContact CD1-CE1 4.15Å; I50-Y92 HydrophobicContact CG1-CD1 3.94Å; I50-Y92 HydrophobicContact CG1-CE1 4.11Å; I50-Y92 HydrophobicContact CG2-CD1 4.12Å; I50-Y92 HydrophobicContact CG2-CE1 3.79Å
51M89.9Confident85.2Confident5 Ų557.1 Ų57.13%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-123.1111.6-177.7-68176.2-78.900111.7F31 K49 A63 T90 L91 L93F31-M51 HydrophobicContact CB-CG 4.16Å; F31-M51 WeakPolarHBondContact O-CA 3.47Å; K49-M51 HydrophobicContact CD-SD 4.44Å; K49-M51 HydrophobicContact CG-CE 4.38Å; K49-M51 HydrophobicContact CG-CG 4.2Å; K49-M51 HydrophobicContact CG-SD 4.43Å; M51-A63 HydrophobicContact CB-CB 4.12Å; M51-A63 HydrophobicContact CE-CB 4.05Å; M51-A63 HydrophobicContact SD-CB 3.87Å; M51-T90 WeakPolarHBondContact O-CA 3.37Å; M51-L91 HydrophobicContact CE-CD2 3.51Å; M51-L91 PolarHBondContact N-O 2.91Å; M51-L91 PolarHBondContact O-N 3.34Å; M51-L93 HydrophobicContact CE-CB 4.07Å; M51-L93 HydrophobicContact CE-CD2 4.26Å
52C88.2Confident85.8Confident50 Ų5050.8 Ų50.834%0.33827%0.266SS..EExtended strand (participates in β ladder)trans-92.7126.1179.2-64.10000110.5F31F31-C52 PolarHBondContact O-N 2.99Å; F31-C52 VanDerWaalsContact O-N 3.15Å
53F86.1Confident86.4Confident13 Ų1345.3 Ų45.36%0.05724%0.241CC..  trans-102.8-9.9179.547.2-94.3000114.1G55 R56 R59 M60 I86 R88 N89F53-G55 PolarHBondContact O-N 2.75Å; F53-G55 VanDerWaalsContact O-N 3.13Å; F53-R56 VanDerWaalsContact O-CB 3.28Å; F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 3.5Å; F53-R59 HydrophobicContact CB-CB 3.63Å; F53-M60 HydrophobicContact CB-CB 4.14Å; F53-M60 HydrophobicContact CD1-CB 4.21Å; F53-M60 HydrophobicContact CD1-CG 4.32Å; F53-M60 HydrophobicContact CD2-CB 3.95Å; F53-M60 HydrophobicContact CD2-CG 4.33Å; F53-M60 HydrophobicContact CE1-CG 4.22Å; F53-M60 HydrophobicContact CE2-CB 4.32Å; F53-M60 HydrophobicContact CE2-CG 4.2Å; F53-M60 HydrophobicContact CE2-SD 4.27Å; F53-M60 HydrophobicContact CG-CB 3.87Å; F53-M60 HydrophobicContact CG-CG 4.36Å; F53-M60 HydrophobicContact CZ-CG 4.15Å; F53-M60 HydrophobicContact CZ-SD 4.39Å; F53-I86 HydrophobicContact CE1-CG2 4.42Å; F53-I86 HydrophobicContact CZ-CG2 4.27Å; F53-R88 WeakPolarHBondContact CZ-O 3.35Å; F53-N89 WeakPolarHBondContact CD1-O 3.18Å; F53-N89 HydrophobicContact CD2-CB 4.11Å; F53-N89 WeakPolarHBondContact CE1-O 3.33Å; F53-N89 HydrophobicContact CE2-CB 3.97Å; F53-N89 WeakPolarHBondContact CE2-OD1 3.47Å; F53-N89 WeakPolarHBondContact CG-O 3.48Å; F53-N89 HydrophobicContact CZ-CB 4.42Å; F53-N89 PolarHBondContact N-O 3.07Å
54D85.4Confident87.3Confident94 Ų9443.2 Ų43.250%0.50323%0.23SC..THydrogen-bonded Turntrans48.339.5175.7-45.2-37000113.3R56 R59D54-R56 PolarHBondContact O-N 3.29Å; D54-R56 IonicContact OD2-CZ 2.82Å; D54-R56 IonicContact OD2-NH2 3.57Å; D54-R56 PolarHBondContact OD2-NH2 2.79Å; D54-R59 IonicContact OD2-NH1 3.64Å; D54-R59 PolarHBondContact OD2-NH1 3.43Å
55G80.4Confident87.7Confident54 Ų5444.8 Ų44.856%0.55723%0.232SC*.THydrogen-bonded Turntrans73.2-0.1-176.200000115.7F53 E57 N89F53-G55 PolarHBondContact O-N 2.75Å; F53-G55 VanDerWaalsContact O-N 3.13Å; G55-E57 PolarHBondContact O-N 3.03Å; G55-N89 PolarHBondContact N-ND2 3.04Å
56R85.8Confident88.1Confident119 Ų11943.4 Ų43.445%0.44922%0.222SC..  trans-81.5111.3178.2-66.1178.4-84-159.5-18.3111.3F53 D54 N58 R59 M60F53-R56 VanDerWaalsContact O-CB 3.28Å; F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 3.5Å; D54-R56 PolarHBondContact O-N 3.29Å; D54-R56 IonicContact OD2-CZ 2.82Å; D54-R56 IonicContact OD2-NH2 3.57Å; D54-R56 PolarHBondContact OD2-NH2 2.79Å; R56-N58 VanDerWaalsContact C-N 3.29Å; R56-N58 PolarHBondContact O-N 2.85Å; R56-R59 HydrophobicContact CB-CB 4.35Å; R56-R59 HydrophobicContact CB-CG 4.3Å; R56-R59 VanDerWaalsContact CZ-NE 3.26Å; R56-R59 VanDerWaalsContact NH1-NH2 3.19Å; R56-R59 PolarHBondContact O-N 2.78Å; R56-M60 PolarHBondContact O-N 2.84Å; R56-M60 VanDerWaalsContact O-N 3.11Å
57E87.6Confident88.2Confident94 Ų9443.4 Ų43.444%0.43922%0.222SC..Hα-helixtrans-52.6-44.5-179.4-166172.6-161.100112.3G55 R59 M60 D61 R326G55-E57 PolarHBondContact O-N 3.03Å; E57-R59 VanDerWaalsContact C-N 3.29Å; E57-R59 PolarHBondContact O-N 2.85Å; E57-M60 HydrophobicContact CG-CE 4.34Å; E57-M60 WeakPolarHBondContact O-CB 3.41Å; E57-M60 PolarHBondContact O-N 3.36Å; E57-M60 VanDerWaalsContact O-N 3.07Å; E57-D61 PolarHBondContact O-N 3.03Å; E57-R326 IonicContact OE1-NH1 2.82Å
58N85.4Confident88.3Confident68 Ų6846.9 Ų46.936%0.36425%0.245SC..Hα-helixtrans-64-31.5-178.2-57.3-16000113.4R56 A62 Q320R56-N58 VanDerWaalsContact C-N 3.29Å; R56-N58 PolarHBondContact O-N 2.85Å; N58-A62 WeakPolarHBondContact O-CB 3.48Å; N58-A62 PolarHBondContact O-N 3.02Å; N58-A62 VanDerWaalsContact O-N 3.17Å; N58-Q320 VanDerWaalsContact CB-NE2 3.35Å; N58-Q320 PolarHBondContact ND2-OE1 3.06Å
59R86.3Confident88.4Confident68 Ų6847.1 Ų47.126%0.25725%0.246SC..Hα-helixtrans-74.9-40173.9-73.4-171.4176-165-1.7111.2F53 D54 R56 E57 D61 A62 A63F53-R59 HydrophobicContact CB-CB 3.63Å; D54-R59 IonicContact OD2-NH1 3.64Å; D54-R59 PolarHBondContact OD2-NH1 3.43Å; R56-R59 HydrophobicContact CB-CB 4.35Å; R56-R59 HydrophobicContact CB-CG 4.3Å; R56-R59 VanDerWaalsContact CZ-NE 3.26Å; R56-R59 VanDerWaalsContact NH1-NH2 3.19Å; R56-R59 PolarHBondContact O-N 2.78Å; E57-R59 VanDerWaalsContact C-N 3.29Å; E57-R59 PolarHBondContact O-N 2.85Å; R59-D61 VanDerWaalsContact C-N 3.31Å; R59-D61 PolarHBondContact O-N 2.77Å; R59-A62 PolarHBondContact O-N 2.88Å; R59-A63 PolarHBondContact O-N 3.04Å
60M88.8Confident88.5Confident41 Ų4146.9 Ų46.920%0.20225%0.245CC..Hα-helixtrans-59.2-45.6174.7-175.3-172.76500110.6F53 R56 E57 A63 K64F53-M60 HydrophobicContact CB-CB 4.14Å; F53-M60 HydrophobicContact CD1-CB 4.21Å; F53-M60 HydrophobicContact CD1-CG 4.32Å; F53-M60 HydrophobicContact CD2-CB 3.95Å; F53-M60 HydrophobicContact CD2-CG 4.33Å; F53-M60 HydrophobicContact CE1-CG 4.22Å; F53-M60 HydrophobicContact CE2-CB 4.32Å; F53-M60 HydrophobicContact CE2-CG 4.2Å; F53-M60 HydrophobicContact CE2-SD 4.27Å; F53-M60 HydrophobicContact CG-CB 3.87Å; F53-M60 HydrophobicContact CG-CG 4.36Å; F53-M60 HydrophobicContact CZ-CG 4.15Å; F53-M60 HydrophobicContact CZ-SD 4.39Å; R56-M60 PolarHBondContact O-N 2.84Å; R56-M60 VanDerWaalsContact O-N 3.11Å; E57-M60 HydrophobicContact CG-CE 4.34Å; E57-M60 WeakPolarHBondContact O-CB 3.41Å; E57-M60 PolarHBondContact O-N 3.36Å; E57-M60 VanDerWaalsContact O-N 3.07Å; M60-A63 PolarHBondContact O-N 2.85Å; M60-K64 HydrophobicContact CG-CD 4.05Å; M60-K64 HydrophobicContact CG-CG 4.47Å; M60-K64 WeakPolarHBondContact O-CB 3.38Å; M60-K64 WeakPolarHBondContact O-CG 3.39Å; M60-K64 PolarHBondContact O-N 3.39Å; M60-K64 PolarHBondContact SD-NZ 3.38Å
61D89.3Confident88.6Confident64 Ų6454.2 Ų54.234%0.34227%0.272SS..Hα-helixtrans-66.1-38.5179.4-75.3-12.1000112.5E57 R59 R65E57-D61 PolarHBondContact O-N 3.03Å; R59-D61 VanDerWaalsContact C-N 3.31Å; R59-D61 PolarHBondContact O-N 2.77Å; D61-R65 WeakPolarHBondContact O-CB 3.25Å; D61-R65 PolarHBondContact O-N 3.05Å
62A86.7Confident88.6Confident21 Ų2159 Ų5917%0.17430%0.297CS..Hα-helixtrans-61.3-48.6173.200000111.6N58 R59 K64 R65 E66N58-A62 WeakPolarHBondContact O-CB 3.48Å; N58-A62 PolarHBondContact O-N 3.02Å; N58-A62 VanDerWaalsContact O-N 3.17Å; R59-A62 PolarHBondContact O-N 2.88Å; A62-K64 PolarHBondContact O-N 2.93Å; A62-R65 WeakPolarHBondContact O-CB 3.45Å; A62-R65 PolarHBondContact O-N 3.44Å; A62-E66 PolarHBondContact O-N 3.36Å
63A88.3Confident88.9Confident4 Ų456.7 Ų56.73%0.03328%0.282CS..Hα-helixtrans-63.3-42.8178.600000112.3M51 R59 M60 R65 E66 A67 L91M51-A63 HydrophobicContact CB-CB 4.12Å; M51-A63 HydrophobicContact CE-CB 4.05Å; M51-A63 HydrophobicContact SD-CB 3.87Å; R59-A63 PolarHBondContact O-N 3.04Å; M60-A63 PolarHBondContact O-N 2.85Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.96Å; A63-E66 PolarHBondContact O-N 2.94Å; A63-A67 PolarHBondContact O-N 3.12Å; A63-L91 HydrophobicContact CB-CB 4.22Å; A63-L91 HydrophobicContact CB-CD1 4.08Å
64K90.9Very high89.4Confident82 Ų8264.2 Ų64.236%0.35732%0.315SS..Hα-helixtrans-64.3-38.5175.4-76.5177.2177.2173.10112M60 A62 C68 I86 L91M60-K64 HydrophobicContact CG-CD 4.05Å; M60-K64 HydrophobicContact CG-CG 4.47Å; M60-K64 WeakPolarHBondContact O-CB 3.38Å; M60-K64 WeakPolarHBondContact O-CG 3.39Å; M60-K64 PolarHBondContact O-N 3.39Å; M60-K64 PolarHBondContact SD-NZ 3.38Å; A62-K64 PolarHBondContact O-N 2.93Å; K64-C68 VanDerWaalsContact O-CB 3.24Å; K64-C68 WeakPolarHBondContact O-CB 3.48Å; K64-C68 PolarHBondContact O-N 3.14Å; K64-I86 HydrophobicContact CG-CD1 4.25Å; K64-L91 HydrophobicContact CG-CD1 4.19Å
65R90.1Very high90Very high97 Ų9762.2 Ų62.237%0.36630%0.302SS..Hα-helixtrans-63.7-47.1176.9-172-173-54.4117.75.7110.9D61 A62 A63 C68 V69D61-R65 WeakPolarHBondContact O-CB 3.25Å; D61-R65 PolarHBondContact O-N 3.05Å; A62-R65 WeakPolarHBondContact O-CB 3.45Å; A62-R65 PolarHBondContact O-N 3.44Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.96Å; R65-C68 WeakPolarHBondContact O-CB 3.47Å; R65-C68 PolarHBondContact O-N 3.38Å; R65-V69 WeakPolarHBondContact O-CG2 3.43Å; R65-V69 PolarHBondContact O-N 2.9Å
66E91.1Very high90.9Very high6 Ų665.8 Ų65.83%0.02830%0.299CS..Hα-helixtrans-57.5-50.6176.3-178.8173.1179.600111.2K49 A62 A63 C68 V69 L70 L93 F161 G162K49-E66 VanDerWaalsContact NZ-CD 3.33Å; K49-E66 IonicContact NZ-OE1 3.66Å; K49-E66 PolarHBondContact NZ-OE1 3.4Å; K49-E66 IonicContact NZ-OE2 3.72Å; K49-E66 PolarHBondContact NZ-OE2 3.08Å; A62-E66 PolarHBondContact O-N 3.36Å; A63-E66 PolarHBondContact O-N 2.94Å; E66-C68 VanDerWaalsContact C-N 3.29Å; E66-C68 PolarHBondContact O-N 2.9Å; E66-V69 PolarHBondContact O-N 3.11Å; E66-L70 HydrophobicContact CG-CD1 4.16Å; E66-L70 PolarHBondContact O-N 3.24Å; E66-L93 HydrophobicContact CG-CD2 4.27Å; E66-F161 HydrophobicContact CG-CB 4.13Å; E66-G162 WeakPolarHBondContact OE2-CA 3.45Å
67A91.1Very high91.5Very high1 Ų160.2 Ų60.21%0.00828%0.278CS..Hα-helixtrans-59.7-38.4177.100000112.6A63 R71 H84 L91 L93A63-A67 PolarHBondContact O-N 3.12Å; A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.47Å; A67-R71 PolarHBondContact O-N 2.81Å; A67-H84 HydrophobicContact CB-CB 4.31Å; A67-L91 HydrophobicContact CB-CD1 4.42Å; A67-L91 HydrophobicContact CB-CD2 4.42Å; A67-L93 HydrophobicContact CB-CD1 3.99Å
68C92.3Very high92Very high73 Ų7355.8 Ų55.849%0.49326%0.257SS..Hα-helixtrans-67.7-45.1177.6-174.40000112.1K64 R65 E66 R71 N72K64-C68 VanDerWaalsContact O-CB 3.24Å; K64-C68 WeakPolarHBondContact O-CB 3.48Å; K64-C68 PolarHBondContact O-N 3.14Å; R65-C68 WeakPolarHBondContact O-CB 3.47Å; R65-C68 PolarHBondContact O-N 3.38Å; E66-C68 VanDerWaalsContact C-N 3.29Å; E66-C68 PolarHBondContact O-N 2.9Å; C68-R71 PolarHBondContact O-N 3.48Å; C68-N72 PolarHBondContact O-ND2 3.47Å
69V91.5Very high92.5Very high9 Ų952.6 Ų52.66%0.05524%0.24CC..Hα-helixtrans-57.8-55.1176.81650000109.7R65 E66 R71 N72 L73 I138 F161 A164R65-V69 WeakPolarHBondContact O-CG2 3.43Å; R65-V69 PolarHBondContact O-N 2.9Å; E66-V69 PolarHBondContact O-N 3.11Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 3.12Å; V69-N72 PolarHBondContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 3.87Å; V69-L73 WeakPolarHBondContact O-CG 3.23Å; V69-L73 PolarHBondContact O-N 3.22Å; V69-I138 HydrophobicContact CG1-CD1 4.1Å; V69-I138 HydrophobicContact CG1-CG2 3.99Å; V69-F161 HydrophobicContact CG1-CB 4.22Å; V69-F161 HydrophobicContact CG1-CD1 3.66Å; V69-F161 HydrophobicContact CG1-CE1 4.43Å; V69-F161 HydrophobicContact CG1-CG 4.21Å; V69-A164 HydrophobicContact CG1-CB 4.16Å
70L92.3Very high92.9Very high1 Ų151.4 Ų51.41%0.00524%0.242CC..Hα-helixtrans-62.5-36.6-177-85.2167.9000113.5E66 N72 L73 I79 L93 L95 F161E66-L70 HydrophobicContact CG-CD1 4.16Å; E66-L70 PolarHBondContact O-N 3.24Å; L70-N72 PolarHBondContact O-N 3.05Å; L70-N72 VanDerWaalsContact O-N 3.15Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-L73 VanDerWaalsContact O-N 3.11Å; L70-I79 HydrophobicContact CD2-CG2 3.67Å; L70-I79 WeakPolarHBondContact CD2-O 3.05Å; L70-L93 HydrophobicContact CD1-CD2 3.85Å; L70-L95 HydrophobicContact CD1-CD2 4.03Å; L70-F161 HydrophobicContact CD1-CB 4.22Å; L70-F161 HydrophobicContact CD1-CD2 4.08Å; L70-F161 HydrophobicContact CD1-CG 4.46Å; L70-F161 HydrophobicContact CD2-CD2 3.32Å; L70-F161 HydrophobicContact CD2-CE2 3.53Å; L70-F161 HydrophobicContact CD2-CG 3.98Å; L70-F161 HydrophobicContact CD2-CZ 4.35Å; L70-F161 HydrophobicContact CG-CB 4.03Å; L70-F161 HydrophobicContact CG-CD2 3.71Å; L70-F161 HydrophobicContact CG-CE2 4.39Å; L70-F161 HydrophobicContact CG-CG 3.94Å
71R92.5Very high93.1Very high175 Ų17551 Ų5166%0.6624%0.243SC*.Hα-helixtrans-57.4-29.5175.4179.9179.1175.8-168.4-0.6113.2A67 C68 V69A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.47Å; A67-R71 PolarHBondContact O-N 2.81Å; C68-R71 PolarHBondContact O-N 3.48Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 3.12Å
72N90.5Very high93.2Very high104 Ų10449.7 Ų49.756%0.55624%0.236SC*.THydrogen-bonded Turntrans-94.6-2.1-177.5-69.7-76.8000113.5C68 V69 L70C68-N72 PolarHBondContact O-ND2 3.47Å; V69-N72 PolarHBondContact O-N 3.16Å; L70-N72 PolarHBondContact O-N 3.05Å; L70-N72 VanDerWaalsContact O-N 3.15Å
73L95.3Very high93.4Very high3 Ų349.1 Ų49.12%0.01623%0.232CC..  trans-102.7124178.5-63.7175.2000109.8V69 L70 V78 Y132 I133 K136 I138 F161V69-L73 HydrophobicContact CG1-CD1 3.87Å; V69-L73 WeakPolarHBondContact O-CG 3.23Å; V69-L73 PolarHBondContact O-N 3.22Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-L73 VanDerWaalsContact O-N 3.11Å; L73-V78 HydrophobicContact CB-CG1 4.05Å; L73-V78 HydrophobicContact CD1-CG1 4.2Å; L73-Y132 HydrophobicContact CB-CE1 4.24Å; L73-Y132 HydrophobicContact CD2-CD1 4.35Å; L73-Y132 HydrophobicContact CD2-CE1 3.75Å; L73-I133 HydrophobicContact CD1-CG1 4.43Å; L73-K136 HydrophobicContact CD2-CB 4.07Å; L73-K136 HydrophobicContact CD2-CG 3.93Å; L73-I138 HydrophobicContact CD1-CD1 4.42Å; L73-I138 HydrophobicContact CD2-CD1 3.74Å; L73-I138 HydrophobicContact CG-CD1 4.17Å; L73-F161 HydrophobicContact CD1-CD1 3.85Å; L73-F161 HydrophobicContact CD1-CE1 3.28Å; L73-F161 HydrophobicContact CD1-CE2 4.47Å; L73-F161 HydrophobicContact CD1-CZ 3.65Å
74K96.3Very high93.6Very high171 Ų17152.1 Ų52.174%0.74325%0.246SC*.  trans-139.497.1177.3-65.6-173.1179.9-1750109.1Y132K74-Y132 PolarHBondContact N-OH 3.27Å; K74-Y132 PolarHBondContact O-OH 3.5Å
75H98.2Very high93.6Very high52 Ų5253.1 Ų53.124%0.24125%0.247CC..  trans-153.3147.1-179.7-175.5-103.8000110N77 V78 Y132H75-N77 PolarHBondContact CE1-OD1 3.37Å; H75-N77 PolarHBondContact ND1-N 2.97Å; H75-N77 PolarHBondContact O-N 2.77Å; H75-N77 VanDerWaalsContact O-N 3.13Å; H75-V78 HydrophobicContact CB-CB 4.23Å; H75-V78 HydrophobicContact CB-CG2 4.01Å; H75-V78 PolarHBondContact O-N 3.15Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.06Å; H75-Y132 HydrophobicContact CB-CD1 3.43Å; H75-Y132 VanDerWaalsContact CB-CD1 3.43Å; H75-Y132 HydrophobicContact CB-CD2 4.02Å; H75-Y132 HydrophobicContact CB-CE1 3.63Å; H75-Y132 HydrophobicContact CB-CE2 4.16Å; H75-Y132 HydrophobicContact CB-CG 3.64Å; H75-Y132 AromaticContact CD2-CD2 3.86Å; H75-Y132 AromaticContact CD2-CG 3.84Å; H75-Y132 AromaticContact CG-CD1 3.97Å; H75-Y132 AromaticContact CG-CG 3.71Å
76R97.9Very high93.7Very high128 Ų12852.2 Ų52.248%0.48325%0.249SC..THydrogen-bonded Turntrans-58.1-31.6-178.169.8-179.9-67.4-91.91.8112.7K157R76-K157 VanDerWaalsContact O-CD 3.27Å; R76-K157 WeakPolarHBondContact O-CD 3.45Å; R76-K157 WeakPolarHBondContact O-CE 3.08Å; R76-K157 PolarHBondContact O-NZ 2.86Å; R76-K157 VanDerWaalsContact O-NZ 3.12Å
77N98.5Very high93.6Very high2 Ų257.3 Ų57.31%0.01127%0.272CS..THydrogen-bonded Turntrans-98.117.5-179.4-57.5115.1000115.6H75 Q125 L156 I158H75-N77 PolarHBondContact CE1-OD1 3.37Å; H75-N77 PolarHBondContact ND1-N 2.97Å; H75-N77 PolarHBondContact O-N 2.77Å; H75-N77 VanDerWaalsContact O-N 3.13Å; N77-Q125 WeakPolarHBondContact CB-O 3.49Å; N77-Q125 WeakPolarHBondContact ND2-CB 3.01Å; N77-Q125 PolarHBondContact ND2-OE1 3.12Å; N77-L156 WeakPolarHBondContact CA-O 2.84Å; N77-L156 HydrophobicContact CB-CD2 4.5Å; N77-L156 WeakPolarHBondContact CB-O 3.16Å; N77-L156 PolarHBondContact ND2-O 3.24Å; N77-I158 WeakPolarHBondContact O-CG1 3.42Å; N77-I158 PolarHBondContact O-N 3.03Å
78V98.1Very high93.4Very high1 Ų167.8 Ų67.81%0.00631%0.312CS..BIsolated β-bridgetrans-128.1138.5174.8178.70000108.4L73 H75 S80 Y132 I133 F161L73-V78 HydrophobicContact CB-CG1 4.05Å; L73-V78 HydrophobicContact CD1-CG1 4.2Å; H75-V78 HydrophobicContact CB-CB 4.23Å; H75-V78 HydrophobicContact CB-CG2 4.01Å; H75-V78 PolarHBondContact O-N 3.15Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.06Å; V78-S80 PolarHBondContact O-N 3.11Å; V78-Y132 HydrophobicContact CG2-CD1 4.18Å; V78-I133 HydrophobicContact CG2-CD1 3.92Å; V78-I133 HydrophobicContact CG2-CG1 3.88Å; V78-F161 HydrophobicContact CG1-CE2 3.92Å; V78-F161 HydrophobicContact CG1-CZ 3.62Å
79I95.8Very high93.3Very high1 Ų167.9 Ų67.91%0.00531%0.307CS..PPolyproline II helixtrans-60.2129.7178-157.973.9000110.3L70 L95 E96 A98 L149 K157 I158 F161L70-I79 HydrophobicContact CD2-CG2 3.67Å; L70-I79 WeakPolarHBondContact CD2-O 3.05Å; I79-L95 HydrophobicContact CG1-CB 4.38Å; I79-E96 WeakPolarHBondContact CA-OE1 3.33Å; I79-E96 HydrophobicContact CD1-CG 3.33Å; I79-E96 HydrophobicContact CG1-CG 3.84Å; I79-A98 HydrophobicContact CD1-CB 4.46Å; I79-L149 HydrophobicContact CD1-CD1 4.23Å; I79-K157 HydrophobicContact CD1-CB 4.05Å; I79-K157 HydrophobicContact CD1-CG 4.36Å; I79-I158 WeakPolarHBondContact CB-O 3.17Å; I79-I158 WeakPolarHBondContact CG2-O 2.94Å; I79-I158 PolarHBondContact N-O 3.1Å; I79-F161 HydrophobicContact CG2-CE2 4.28Å
80S95Very high93.3Very high43 Ų4368.6 Ų68.630%0.30131%0.312SS..PPolyproline II helixtrans-85.7126.4-174.6-590000110.4V78 L95 E96V78-S80 PolarHBondContact O-N 3.11Å; S80-L95 WeakPolarHBondContact O-CA 3.28Å; S80-E96 WeakPolarHBondContact CB-OE1 3.35Å; S80-E96 PolarHBondContact N-OE1 3.44Å; S80-E96 PolarHBondContact O-N 2.84Å; S80-E96 PolarHBondContact OG-OE1 3.47Å
81S93.3Very high93.2Very high32 Ų3268.6 Ų68.622%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-78.2125.7166.5-178.50000110.3G83S81-G83 PolarHBondContact OG-N 3.02Å
82I92.2Very high93.2Very high38 Ų3863.5 Ų63.520%0.19529%0.293CS..EExtended strand (participates in β ladder)trans-83.3-39.1172.6-62.3176.3000109.7L3 V46 F94L3-I82 HydrophobicContact CB-CG2 4.03Å; L3-I82 HydrophobicContact CD1-CG2 3.23Å; L3-I82 HydrophobicContact CD2-CG2 4.02Å; L3-I82 HydrophobicContact CG-CG2 3.91Å; V46-I82 HydrophobicContact CB-CD1 4.32Å; V46-I82 HydrophobicContact CG1-CD1 3.87Å; V46-I82 HydrophobicContact CG2-CD1 3.59Å; I82-F94 HydrophobicContact CB-CB 4Å; I82-F94 HydrophobicContact CG2-CB 4.37Å; I82-F94 PolarHBondContact N-O 3.16Å
83G91Very high93.3Very high9 Ų958.6 Ų58.69%0.09327%0.267CS..EExtended strand (participates in β ladder)trans168.6178.8-178.300000112.1S81 F94S81-G83 PolarHBondContact OG-N 3.02Å; G83-F94 PolarHBondContact N-O 3.11Å; G83-F94 PolarHBondContact O-N 3.24Å
84H92.5Very high93.2Very high67 Ų6758.9 Ų58.931%0.3127%0.268SS..EExtended strand (participates in β ladder)trans-141.2158168.768.2-84.1000111A67 L91 Y92 L93A67-H84 HydrophobicContact CB-CB 4.31Å; H84-L91 HydrophobicContact CB-CD2 4.24Å; H84-Y92 CarbonylContact C-O 3.57Å; H84-Y92 WeakPolarHBondContact CA-O 3.26Å; H84-Y92 WeakPolarHBondContact CB-O 3.46Å; H84-L93 HydrophobicContact CB-CD1 4.03Å
85R90.9Very high93Very high103 Ų10351.4 Ų51.439%0.38924%0.236SC..EExtended strand (participates in β ladder)trans-133.1149.7170.4-67.1-177.7-177.4-121.60.6109L91 Y92 F94R85-L91 WeakPolarHBondContact O-CA 3.37Å; R85-Y92 PolarHBondContact N-O 2.93Å; R85-Y92 PolarHBondContact O-N 3.37Å; R85-F94 HydrophobicContact CB-CE2 4.42Å; R85-F94 HydrophobicContact CG-CE2 4.17Å
86I90.6Very high92.7Very high78 Ų7851 Ų5140%0.423%0.234SC..EExtended strand (participates in β ladder)trans-120.5125.5173.4-61.5171.2000106.5F53 K64 T90 L91F53-I86 HydrophobicContact CE1-CG2 4.42Å; F53-I86 HydrophobicContact CZ-CG2 4.27Å; K64-I86 HydrophobicContact CG-CD1 4.25Å; I86-T90 WeakPolarHBondContact CA-O 3.45Å; I86-L91 HydrophobicContact CD1-CD1 4.07Å; I86-L91 HydrophobicContact CG1-CB 4.33Å; I86-L91 HydrophobicContact CG1-CD1 3.9Å; I86-L91 HydrophobicContact CG1-CG 3.97Å
87E89.1Confident92.2Very high112 Ų11246.3 Ų46.352%0.52322%0.217SC..EExtended strand (participates in β ladder)trans-133.1123.8175.2-175.7179-170.500108.7N89 T90 Y92E87-N89 PolarHBondContact O-N 3.25Å; E87-T90 PolarHBondContact N-O 3.17Å; E87-T90 PolarHBondContact O-N 3.2Å; E87-Y92 HydrophobicContact CB-CE2 4.2Å
88R87.6Confident91.8Very high221 Ų22146.2 Ų46.283%0.83422%0.216SC*.THydrogen-bonded Turntrans49.4-114.9-175.3-58.6174.1-174.4155.62.4110.7F53F53-R88 WeakPolarHBondContact CZ-O 3.35Å
89N89.7Confident91.1Very high76 Ų7647.5 Ų47.541%0.40623%0.225SC..THydrogen-bonded Turntrans-102.421.9-177.6-75.6-14.9000114.2F53 G55 E87F53-N89 WeakPolarHBondContact CD1-O 3.18Å; F53-N89 HydrophobicContact CD2-CB 4.11Å; F53-N89 WeakPolarHBondContact CE1-O 3.33Å; F53-N89 HydrophobicContact CE2-CB 3.97Å; F53-N89 WeakPolarHBondContact CE2-OD1 3.47Å; F53-N89 WeakPolarHBondContact CG-O 3.48Å; F53-N89 HydrophobicContact CZ-CB 4.42Å; F53-N89 PolarHBondContact N-O 3.07Å; G55-N89 PolarHBondContact N-ND2 3.04Å; E87-N89 PolarHBondContact O-N 3.25Å
90T91.3Very high90.5Very high23 Ų2349.4 Ų49.414%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-132.6131.3-173.7-52.20000111.4I50 M51 I86 E87 Y92I50-T90 HydrophobicContact CG2-CG2 3.45Å; I50-T90 VanDerWaalsContact CG2-CG2 3.45Å; M51-T90 WeakPolarHBondContact O-CA 3.37Å; I86-T90 WeakPolarHBondContact CA-O 3.45Å; E87-T90 PolarHBondContact N-O 3.17Å; E87-T90 PolarHBondContact O-N 3.2Å; T90-Y92 HydrophobicContact CG2-CD2 4.19Å; T90-Y92 HydrophobicContact CG2-CE1 4.11Å; T90-Y92 HydrophobicContact CG2-CE2 3.67Å
91L91.9Very high90.1Very high2 Ų247.3 Ų47.31%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-100.7126.5168.6-169.8151.2000109.3M51 A63 K64 A67 H84 R85 I86 L93M51-L91 HydrophobicContact CE-CD2 3.51Å; M51-L91 PolarHBondContact N-O 2.91Å; M51-L91 PolarHBondContact O-N 3.34Å; A63-L91 HydrophobicContact CB-CB 4.22Å; A63-L91 HydrophobicContact CB-CD1 4.08Å; K64-L91 HydrophobicContact CG-CD1 4.19Å; A67-L91 HydrophobicContact CB-CD1 4.42Å; A67-L91 HydrophobicContact CB-CD2 4.42Å; H84-L91 HydrophobicContact CB-CD2 4.24Å; R85-L91 WeakPolarHBondContact O-CA 3.37Å; I86-L91 HydrophobicContact CD1-CD1 4.07Å; I86-L91 HydrophobicContact CG1-CB 4.33Å; I86-L91 HydrophobicContact CG1-CD1 3.9Å; I86-L91 HydrophobicContact CG1-CG 3.97Å; L91-L93 HydrophobicContact CD2-CB 3.79Å
92Y92.4Very high89.8Confident68 Ų6845.9 Ų45.927%0.26721%0.209SC..EExtended strand (participates in β ladder)trans-104.7112173.3-60.5-91.4000108.4V48 I50 H84 R85 E87 T90V48-Y92 HydrophobicContact CG2-CD1 4.16Å; I50-Y92 HydrophobicContact CB-CD1 4.46Å; I50-Y92 HydrophobicContact CD1-CD1 4.38Å; I50-Y92 HydrophobicContact CD1-CE1 4.15Å; I50-Y92 HydrophobicContact CG1-CD1 3.94Å; I50-Y92 HydrophobicContact CG1-CE1 4.11Å; I50-Y92 HydrophobicContact CG2-CD1 4.12Å; I50-Y92 HydrophobicContact CG2-CE1 3.79Å; H84-Y92 CarbonylContact C-O 3.57Å; H84-Y92 WeakPolarHBondContact CA-O 3.26Å; H84-Y92 WeakPolarHBondContact CB-O 3.46Å; R85-Y92 PolarHBondContact N-O 2.93Å; R85-Y92 PolarHBondContact O-N 3.37Å; E87-Y92 HydrophobicContact CB-CE2 4.2Å; T90-Y92 HydrophobicContact CG2-CD2 4.19Å; T90-Y92 HydrophobicContact CG2-CE1 4.11Å; T90-Y92 HydrophobicContact CG2-CE2 3.67Å
93L92Very high89.7Confident0 Ų044.1 Ų44.10%020%0.2CC..EExtended strand (participates in β ladder)trans-104.8112.7178.5177.562.5000109.4V48 K49 M51 E66 A67 L70 H84 L91 L95V48-L93 CarbonylContact C-O 3.4Å; V48-L93 WeakPolarHBondContact CA-O 3.21Å; K49-L93 HydrophobicContact CB-CB 4.31Å; K49-L93 PolarHBondContact N-O 3.45Å; K49-L93 PolarHBondContact O-N 3.2Å; M51-L93 HydrophobicContact CE-CB 4.07Å; M51-L93 HydrophobicContact CE-CD2 4.26Å; E66-L93 HydrophobicContact CG-CD2 4.27Å; A67-L93 HydrophobicContact CB-CD1 3.99Å; L70-L93 HydrophobicContact CD1-CD2 3.85Å; H84-L93 HydrophobicContact CB-CD1 4.03Å; L91-L93 HydrophobicContact CD2-CB 3.79Å; L93-L95 HydrophobicContact CD1-CD2 4.27Å; L93-L95 HydrophobicContact CD2-CD2 4.08Å; L93-L95 HydrophobicContact CG-CD2 3.82Å; L93-L95 HydrophobicContact CG-CG 4.15Å
94F92.4Very high89.5Confident10 Ų1043.9 Ų43.94%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-89126.3-180-59.3-83000110F16 L37 V46 V48 I82 G83 R85F16-F94 AromaticContact CD1-CE1 3.92Å; F16-F94 HydrophobicContact CD1-CE1 3.92Å; F16-F94 AromaticContact CD1-CZ 3.86Å; F16-F94 HydrophobicContact CD1-CZ 3.86Å; F16-F94 HydrophobicContact CE1-CD1 4.11Å; F16-F94 AromaticContact CE1-CE1 3.2Å; F16-F94 HydrophobicContact CE1-CE1 3.2Å; F16-F94 AromaticContact CE1-CZ 3.59Å; F16-F94 HydrophobicContact CE1-CZ 3.59Å; F16-F94 HydrophobicContact CE2-CE1 4.39Å; F16-F94 HydrophobicContact CE2-CZ 4.37Å; F16-F94 HydrophobicContact CG-CZ 4.38Å; F16-F94 HydrophobicContact CZ-CD1 4.03Å; F16-F94 AromaticContact CZ-CE1 3.49Å; F16-F94 HydrophobicContact CZ-CE1 3.49Å; F16-F94 VanDerWaalsContact CZ-CE1 3.49Å; F16-F94 AromaticContact CZ-CZ 3.86Å; F16-F94 HydrophobicContact CZ-CZ 3.86Å; L37-F94 HydrophobicContact CD2-CE1 4.23Å; V46-F94 HydrophobicContact CG1-CB 4.16Å; V46-F94 HydrophobicContact CG1-CD1 4.04Å; V48-F94 HydrophobicContact CB-CD1 4.05Å; V48-F94 HydrophobicContact CB-CE1 4.07Å; V48-F94 HydrophobicContact CG2-CD1 3.83Å; V48-F94 HydrophobicContact CG2-CE1 3.64Å; V48-F94 HydrophobicContact CG2-CG 4.43Å; V48-F94 HydrophobicContact CG2-CZ 4.11Å; I82-F94 HydrophobicContact CB-CB 4Å; I82-F94 HydrophobicContact CG2-CB 4.37Å; I82-F94 PolarHBondContact N-O 3.16Å; G83-F94 PolarHBondContact N-O 3.11Å; G83-F94 PolarHBondContact O-N 3.24Å; R85-F94 HydrophobicContact CB-CE2 4.42Å; R85-F94 HydrophobicContact CG-CE2 4.17Å
95L92.9Very high89Confident13 Ų1341.9 Ų41.97%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-128.1152.6-173.3-57.7175.8000109.6V46 A47 K49 L70 I79 S80 L93V46-L95 WeakPolarHBondContact CG1-O 3.44Å; A47-L95 HydrophobicContact CB-CB 4.42Å; A47-L95 PolarHBondContact N-O 3.46Å; A47-L95 PolarHBondContact O-N 3.11Å; K49-L95 HydrophobicContact CB-CD1 4.43Å; L70-L95 HydrophobicContact CD1-CD2 4.03Å; I79-L95 HydrophobicContact CG1-CB 4.38Å; S80-L95 WeakPolarHBondContact O-CA 3.28Å; L93-L95 HydrophobicContact CD1-CD2 4.27Å; L93-L95 HydrophobicContact CD2-CD2 4.08Å; L93-L95 HydrophobicContact CG-CD2 3.82Å; L93-L95 HydrophobicContact CG-CG 4.15Å
96E91Very high88.7Confident43 Ų4340 Ų4020%0.20118%0.181CC..EExtended strand (participates in β ladder)trans-56.4145.3165.374.3-176.714100110.2I79 S80 K157I79-E96 WeakPolarHBondContact CA-OE1 3.33Å; I79-E96 HydrophobicContact CD1-CG 3.33Å; I79-E96 HydrophobicContact CG1-CG 3.84Å; S80-E96 WeakPolarHBondContact CB-OE1 3.35Å; S80-E96 PolarHBondContact N-OE1 3.44Å; S80-E96 PolarHBondContact O-N 2.84Å; S80-E96 PolarHBondContact OG-OE1 3.47Å; E96-K157 WeakPolarHBondContact OE1-CD 3.28Å; E96-K157 WeakPolarHBondContact OE1-CE 3.07Å; E96-K157 IonicContact OE1-NZ 3.79Å; E96-K157 PolarHBondContact OE1-NZ 2.92Å; E96-K157 IonicContact OE2-NZ 2.66Å; E96-K157 PolarHBondContact OE2-NZ 3.07Å
97Y88.9Confident88.5Confident31 Ų3136.3 Ų36.312%0.12216%0.162CC..  trans-90.4129.2175.4172.3-114.9000109.7L26 L36 Q355 P356L26-Y97 HydrophobicContact CD1-CD2 4.1Å; L26-Y97 HydrophobicContact CD1-CE2 4.11Å; L36-Y97 HydrophobicContact CD1-CD1 4.18Å; L36-Y97 HydrophobicContact CD1-CD2 3.71Å; L36-Y97 HydrophobicContact CD1-CE1 4.36Å; L36-Y97 HydrophobicContact CD1-CE2 3.91Å; L36-Y97 HydrophobicContact CD1-CG 3.82Å; L36-Y97 HydrophobicContact CD2-CE2 4.42Å; Y97-Q355 HydrophobicContact CE2-CB 4.16Å; Y97-P356 PolarHBondContact OH-O 3.48Å
98A89Confident87.8Confident0 Ų032.2 Ų32.20%015%0.15CC..  trans-100.797.5178.600000108.9I79 E100 G101 L149 I150 A151I79-A98 HydrophobicContact CD1-CB 4.46Å; A98-E100 VanDerWaalsContact C-N 3.26Å; A98-E100 PolarHBondContact O-N 3Å; A98-G101 PolarHBondContact O-N 3.22Å; A98-L149 HydrophobicContact CB-CB 3.59Å; A98-L149 HydrophobicContact CB-CD1 3.97Å; A98-L149 HydrophobicContact CB-CG 4.39Å; A98-I150 CarbonylContact C-O 3.45Å; A98-I150 WeakPolarHBondContact CB-O 2.95Å; A98-A151 HydrophobicContact CB-CB 4.33Å
99S83.8Confident87.3Confident27 Ų2725.6 Ų25.619%0.18913%0.131CC..THydrogen-bonded Turntrans-63-26.4-168.260.60000114.8G101 E152 T357S99-G101 VanDerWaalsContact C-N 3.31Å; S99-G101 PolarHBondContact O-N 3.2Å; S99-E152 PolarHBondContact OG-N 2.94Å; S99-T357 CarbonylContact O-C 3.49Å; S99-T357 WeakPolarHBondContact O-CA 3.4Å
100E83.9Confident86.8Confident41 Ų4122.5 Ų22.519%0.19212%0.115CC..THydrogen-bonded Turntrans-92.610.6-172.1-54.6-52121.700113.5A98 R106 I150 A151 T357A98-E100 VanDerWaalsContact C-N 3.26Å; A98-E100 PolarHBondContact O-N 3Å; E100-R106 IonicContact OE2-NH2 3.64Å; E100-I150 CarbonylContact C-O 3.36Å; E100-I150 VanDerWaalsContact CA-O 3.28Å; E100-I150 WeakPolarHBondContact CA-O 3.46Å; E100-I150 HydrophobicContact CB-CB 3.72Å; E100-I150 HydrophobicContact CB-CG2 3.65Å; E100-I150 VanDerWaalsContact CB-O 3.26Å; E100-I150 WeakPolarHBondContact CB-O 3.02Å; E100-I150 HydrophobicContact CG-CG2 4.25Å; E100-I150 PolarHBondContact N-O 3.23Å; E100-A151 WeakPolarHBondContact CG-O 3.41Å; E100-T357 VanDerWaalsContact C-CG2 3.48Å
101G85.1Confident86.6Confident0 Ų024.5 Ų24.50%013%0.125CC..  trans77.4-149.9171.300000113.7A98 S99 L149 I150A98-G101 PolarHBondContact O-N 3.22Å; S99-G101 VanDerWaalsContact C-N 3.31Å; S99-G101 PolarHBondContact O-N 3.2Å; G101-L149 CarbonylContact O-C 3.47Å; G101-L149 VanDerWaalsContact O-CA 3.27Å; G101-L149 WeakPolarHBondContact O-CA 3.47Å; G101-I150 PolarHBondContact N-O 3.46Å; G101-I150 PolarHBondContact O-N 2.87Å
102E87Confident86.4Confident2 Ų229 Ų291%0.00915%0.152CC..BIsolated β-bridgetrans-93.5150.7-177-58.8179.8168.200112.1Y104 D105 R106 L149 S352 S354E102-Y104 PolarHBondContact O-N 2.86Å; E102-D105 PolarHBondContact O-N 2.76Å; E102-D105 VanDerWaalsContact O-N 3.09Å; E102-R106 PolarHBondContact O-N 3.39Å; E102-L149 HydrophobicContact CG-CD2 3.89Å; E102-S352 PolarHBondContact OE1-OG 2.88Å; E102-S354 WeakPolarHBondContact OE1-CA 3.26Å; E102-S354 WeakPolarHBondContact OE1-CB 3.35Å; E102-S354 PolarHBondContact OE1-N 3.34Å
103L90.9Very high86.3Confident0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-59-35.2168.6178.165.4000110.5D105 R106 I107 M114 F122 P145 V148 I150 V209 M213L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.24Å; L103-R106 HydrophobicContact CD1-CB 4.36Å; L103-R106 WeakPolarHBondContact O-CA 3.44Å; L103-R106 WeakPolarHBondContact O-CB 3.26Å; L103-R106 PolarHBondContact O-N 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 2.79Å; L103-M114 HydrophobicContact CD1-CE 4.03Å; L103-F122 HydrophobicContact CD1-CB 4.33Å; L103-F122 HydrophobicContact CD1-CD2 3.81Å; L103-F122 HydrophobicContact CD1-CE2 4.24Å; L103-F122 HydrophobicContact CD1-CG 4.12Å; L103-P145 HydrophobicContact CB-CB 4.5Å; L103-P145 HydrophobicContact CG-CB 4.45Å; L103-P145 PolarHBondContact N-O 3.11Å; L103-V148 HydrophobicContact CB-CB 3.91Å; L103-V148 HydrophobicContact CB-CG1 3.84Å; L103-V148 WeakPolarHBondContact CB-O 3.45Å; L103-V148 HydrophobicContact CD2-CB 4.07Å; L103-V148 HydrophobicContact CD2-CG1 3.83Å; L103-V148 HydrophobicContact CG-CG1 4.44Å; L103-V148 PolarHBondContact N-O 2.98Å; L103-I150 HydrophobicContact CB-CD1 4.34Å; L103-I150 HydrophobicContact CD1-CD1 4.3Å; L103-V209 HydrophobicContact CD2-CG1 3.84Å; L103-M213 HydrophobicContact CD1-CG 4.43Å; L103-M213 HydrophobicContact CD1-SD 3.95Å; L103-M213 HydrophobicContact CD2-CG 4.31Å; L103-M213 HydrophobicContact CD2-SD 3.9Å; L103-M213 HydrophobicContact CG-SD 4.42Å
104Y85.8Confident86.3Confident4 Ų426.9 Ų26.92%0.01615%0.147CC..Hα-helixtrans-51-46.5172.5164.7-113.2000112.4E102 R106 I107 P145 E146 G455 L456 F458 K459E102-Y104 PolarHBondContact O-N 2.86Å; Y104-R106 VanDerWaalsContact C-N 3.27Å; Y104-R106 PolarHBondContact O-N 2.73Å; Y104-I107 PolarHBondContact O-N 2.88Å; Y104-P145 PolarHBondContact N-O 3.39Å; Y104-P145 VanDerWaalsContact N-O 3.09Å; Y104-E146 HydrophobicContact CG-CG 4.34Å; Y104-G455 VanDerWaalsContact CE2-O 3.28Å; Y104-G455 WeakPolarHBondContact CE2-O 3.25Å; Y104-G455 VanDerWaalsContact OH-C 3.23Å; Y104-G455 PolarHBondContact OH-O 2.78Å; Y104-L456 HydrophobicContact CE2-CD2 4.39Å; Y104-F458 HydrophobicContact CE1-CD1 4.32Å; Y104-F458 WeakPolarHBondContact OH-CD1 3.34Å; Y104-K459 HydrophobicContact CE2-CD 3.73Å; Y104-K459 HydrophobicContact CE2-CG 4.43Å; Y104-K459 PolarHBondContact O-NZ 3.36Å; Y104-K459 WeakPolarHBondContact OH-CB 3.44Å; Y104-K459 WeakPolarHBondContact OH-CD 2.96Å; Y104-K459 WeakPolarHBondContact OH-CG 3.39Å; Y104-K459 PolarHBondContact OH-N 2.79Å
105D83.2Confident86.3Confident25 Ų2530.4 Ų30.413%0.13417%0.171CC..Hα-helixtrans-63.9-35177.5-66.7-64.6000111.8E102 L103 R384 K459E102-D105 PolarHBondContact O-N 2.76Å; E102-D105 VanDerWaalsContact O-N 3.09Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.24Å; D105-R384 VanDerWaalsContact CG-CZ 3.48Å; D105-R384 IonicContact OD1-CZ 3.98Å; D105-R384 IonicContact OD1-NE 2.73Å; D105-R384 PolarHBondContact OD1-NE 3.44Å; D105-R384 VanDerWaalsContact OD1-NE 3.11Å; D105-R384 IonicContact OD1-NH2 3.26Å; D105-R384 PolarHBondContact OD1-NH2 3.12Å; D105-R384 IonicContact OD2-CZ 2.68Å; D105-R384 IonicContact OD2-NE 2.66Å; D105-R384 IonicContact OD2-NH1 3.53Å; D105-R384 IonicContact OD2-NH2 2.77Å; D105-R384 PolarHBondContact OD2-NH2 3.05Å; D105-K459 PolarHBondContact O-NZ 3.41Å
106R85.4Confident86.3Confident64 Ų6430.6 Ų30.624%0.24217%0.171CC..Hα-helixtrans-69.9-26.9178.1-59.8-52.6-157.794.5-5.6114.1E100 E102 L103 Y104 G108 M114 F122 I150 E154E100-R106 IonicContact OE2-NH2 3.64Å; E102-R106 PolarHBondContact O-N 3.39Å; L103-R106 HydrophobicContact CD1-CB 4.36Å; L103-R106 WeakPolarHBondContact O-CA 3.44Å; L103-R106 WeakPolarHBondContact O-CB 3.26Å; L103-R106 PolarHBondContact O-N 3.29Å; Y104-R106 VanDerWaalsContact C-N 3.27Å; Y104-R106 PolarHBondContact O-N 2.73Å; R106-G108 PolarHBondContact O-N 3.37Å; R106-M114 HydrophobicContact CB-CE 4.27Å; R106-F122 HydrophobicContact CB-CE2 4.43Å; R106-F122 HydrophobicContact CG-CE2 4.48Å; R106-I150 HydrophobicContact CG-CG1 4.02Å; R106-E154 IonicContact CZ-OE1 2.82Å; R106-E154 VanDerWaalsContact CZ-OE1 3.29Å; R106-E154 IonicContact CZ-OE2 2.72Å; R106-E154 VanDerWaalsContact NH1-CD 3.28Å; R106-E154 IonicContact NH1-OE1 3.02Å; R106-E154 PolarHBondContact NH1-OE1 2.93Å; R106-E154 IonicContact NH1-OE2 3.17Å; R106-E154 PolarHBondContact NH1-OE2 2.91Å; R106-E154 IonicContact NH2-OE1 3.31Å; R106-E154 PolarHBondContact NH2-OE1 2.84Å; R106-E154 IonicContact NH2-OE2 2.73Å
107I85.3Confident86.4Confident0 Ų029.8 Ų29.80%018%0.175CC..SBendtrans-70.881.6172.1-59.7169.1000107.4L103 Y104 M114 P145 A212 M213 L456 K459L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 2.79Å; Y104-I107 PolarHBondContact O-N 2.88Å; I107-M114 HydrophobicContact CB-CE 4.28Å; I107-M114 HydrophobicContact CG1-CE 3.56Å; I107-P145 HydrophobicContact CD1-CB 3.71Å; I107-P145 HydrophobicContact CD1-CG 3.69Å; I107-A212 HydrophobicContact CD1-CB 3.96Å; I107-A212 WeakPolarHBondContact CG2-O 3.4Å; I107-M213 HydrophobicContact CD1-CG 4.18Å; I107-M213 HydrophobicContact CG1-CG 4.14Å; I107-L456 HydrophobicContact CG2-CD2 4.12Å; I107-K459 PolarHBondContact O-NZ 3.13Å
108G74.6Confident86.6Confident26 Ų2631.4 Ų31.427%0.26818%0.183SC..  trans-45-104.8-16200000116R106 K459R106-G108 PolarHBondContact O-N 3.37Å; G108-K459 WeakPolarHBondContact O-CD 3.45Å; G108-K459 PolarHBondContact O-NZ 3.22Å
109N77.6Confident86.9Confident83 Ų8331.4 Ų31.444%0.44418%0.183SC..BIsolated β-bridgetrans-79138178.9-80-23.3000110.4V112 G113N109-V112 HydrophobicContact CB-CB 4.22Å; N109-V112 HydrophobicContact CB-CG2 4.04Å; N109-V112 PolarHBondContact O-N 3.09Å; N109-G113 PolarHBondContact O-N 3.36Å
110P79.4Confident87.5Confident10 Ų1030.6 Ų30.67%0.06518%0.177CC..THydrogen-bonded Turntrans-56145.8167.826-32.3000109.3V112 K459 R460 L463P110-V112 PolarHBondContact O-N 2.92Å; P110-K459 HydrophobicContact CG-CB 4.36Å; P110-R460 HydrophobicContact CB-CG 3.68Å; P110-R460 HydrophobicContact CG-CG 3.87Å; P110-L463 HydrophobicContact CG-CD1 3.6Å
111D85.5Confident88.1Confident65 Ų6532.8 Ų32.835%0.34818%0.184SC..THydrogen-bonded Turntrans70.6-4.4-176.1-51.8-49.7000118.6V215 G216 Q217 K246 R460D111-V215 CarbonylContact C-O 3.45Å; D111-V215 VanDerWaalsContact CA-O 3.23Å; D111-V215 WeakPolarHBondContact CA-O 3.33Å; D111-G216 PolarHBondContact N-O 2.81Å; D111-Q217 WeakPolarHBondContact OD1-CG 3.39Å; D111-Q217 PolarHBondContact OD1-NE2 2.98Å; D111-K246 PolarHBondContact O-NZ 3Å; D111-R460 IonicContact OD1-CZ 2.67Å; D111-R460 IonicContact OD1-NH1 2.68Å; D111-R460 PolarHBondContact OD1-NH1 3.36Å; D111-R460 IonicContact OD1-NH2 3.9Å; D111-R460 PolarHBondContact OD1-NH2 3.08Å; D111-R460 IonicContact OD2-CZ 3.9Å; D111-R460 IonicContact OD2-NH1 3.75Å; D111-R460 PolarHBondContact OD2-NH1 3Å; D111-R460 IonicContact OD2-NH2 3.47Å
112V88.4Confident88.7Confident98 Ų9832.8 Ų32.859%0.59418%0.184SC*.THydrogen-bonded Turntrans-110.3-46.2177-176.90000111.5N109 P110 V215N109-V112 HydrophobicContact CB-CB 4.22Å; N109-V112 HydrophobicContact CB-CG2 4.04Å; N109-V112 PolarHBondContact O-N 3.09Å; P110-V112 PolarHBondContact O-N 2.92Å; V112-V215 PolarHBondContact N-O 2.8Å; V112-V215 WeakPolarHBondContact O-CA 3.12Å
113G91.1Very high89.2Confident6 Ų632.7 Ų32.76%0.06218%0.183CC..BIsolated β-bridgetrans84.7-151.9-172.200000112.5N109 M213 V215 G216N109-G113 PolarHBondContact O-N 3.36Å; G113-M213 CarbonylContact C-O 3.46Å; G113-M213 WeakPolarHBondContact CA-O 3.13Å; G113-V215 VanDerWaalsContact N-C 3.34Å; G113-G216 VanDerWaalsContact CA-N 3.26Å
114M91.8Very high89.5Confident17 Ų1735.9 Ų35.98%0.08420%0.198CC..  trans-120.2162.5175.473.6-178.163.800110.8L103 R106 I107 I116 Q118 A119 F122 M213L103-M114 HydrophobicContact CD1-CE 4.03Å; R106-M114 HydrophobicContact CB-CE 4.27Å; I107-M114 HydrophobicContact CB-CE 4.28Å; I107-M114 HydrophobicContact CG1-CE 3.56Å; M114-I116 PolarHBondContact O-N 2.78Å; M114-Q118 HydrophobicContact CG-CB 4.36Å; M114-Q118 HydrophobicContact SD-CB 4.16Å; M114-Q118 HydrophobicContact SD-CG 3.88Å; M114-A119 HydrophobicContact CG-CB 3.81Å; M114-A119 HydrophobicContact SD-CB 4.14Å; M114-F122 HydrophobicContact CE-CD2 4.4Å; M114-F122 HydrophobicContact SD-CD2 3.8Å; M114-F122 HydrophobicContact SD-CE2 4.27Å; M114-M213 HydrophobicContact CE-CB 4.02Å; M114-M213 HydrophobicContact CE-CG 3.76Å; M114-M213 HydrophobicContact CE-SD 4.27Å; M114-M213 HydrophobicContact CG-CB 4.39Å; M114-M213 WeakPolarHBondContact CG-O 3.48Å; M114-M213 PolarHBondContact N-O 3.39Å; M114-M213 HydrophobicContact SD-CB 4.25Å; M114-M213 HydrophobicContact SD-CG 4.34Å; M114-M213 HydrophobicContact SD-SD 4.36Å
115P92.2Very high90.1Very high84 Ų8436 Ų3655%0.54520%0.199SC..  trans-51.3140.7175.2-27.336000112.2G117 Q118 A119P115-G117 VanDerWaalsContact C-N 3.3Å; P115-G117 PolarHBondContact O-N 3.4Å; P115-Q118 HydrophobicContact CB-CB 4.39Å; P115-Q118 WeakPolarHBondContact O-CA 3.31Å; P115-Q118 WeakPolarHBondContact O-CB 3.13Å; P115-Q118 PolarHBondContact O-N 3.5Å; P115-A119 PolarHBondContact O-N 2.69Å
116I92.4Very high90.8Very high16 Ų1634.9 Ų34.98%0.08219%0.193CC..Hα-helixtrans-61.2-38.4-171.4-175167.6000112.2M114 Q118 A119 Q120 L214 H248 P251 D284M114-I116 PolarHBondContact O-N 2.78Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.82Å; I116-A119 PolarHBondContact O-N 2.85Å; I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 PolarHBondContact O-N 3.48Å; I116-L214 HydrophobicContact CG1-CD2 4.16Å; I116-H248 HydrophobicContact CD1-CB 4.28Å; I116-P251 HydrophobicContact CD1-CG 4.01Å; I116-D284 VanDerWaalsContact CG2-OD1 3.22Å; I116-D284 WeakPolarHBondContact CG2-OD1 3.31Å
117G92.5Very high91.5Very high27 Ų2732 Ų3228%0.27818%0.182SC..Hα-helixtrans-61.9-38.4174.400000112.9P115 Q120 Y121P115-G117 VanDerWaalsContact C-N 3.3Å; P115-G117 PolarHBondContact O-N 3.4Å; G117-Q120 PolarHBondContact O-N 3.46Å; G117-Y121 WeakPolarHBondContact O-CB 3.48Å; G117-Y121 PolarHBondContact O-N 3.25Å
118Q93.5Very high92.1Very high64 Ų6433.7 Ų33.730%0.29920%0.197SC..Hα-helixtrans-69.2-42.3175.6-167.969.936.400111.5M114 P115 I116 Q120 Y121 F122 E154M114-Q118 HydrophobicContact CG-CB 4.36Å; M114-Q118 HydrophobicContact SD-CB 4.16Å; M114-Q118 HydrophobicContact SD-CG 3.88Å; P115-Q118 HydrophobicContact CB-CB 4.39Å; P115-Q118 WeakPolarHBondContact O-CA 3.31Å; P115-Q118 WeakPolarHBondContact O-CB 3.13Å; P115-Q118 PolarHBondContact O-N 3.5Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.82Å; Q118-Q120 VanDerWaalsContact C-N 3.32Å; Q118-Q120 PolarHBondContact O-N 2.86Å; Q118-Y121 PolarHBondContact O-N 3.2Å; Q118-F122 HydrophobicContact CG-CD2 3.94Å; Q118-F122 HydrophobicContact CG-CE2 3.7Å; Q118-F122 WeakPolarHBondContact O-CD2 3.34Å; Q118-F122 PolarHBondContact O-N 3.23Å; Q118-E154 PolarHBondContact NE2-OE2 2.82Å; Q118-E154 VanDerWaalsContact NE2-OE2 3.11Å
119A95.7Very high93.2Very high0 Ų032.5 Ų32.50%018%0.184CC..Hα-helixtrans-61.3-42.2175.600000111.3M114 P115 I116 F123 M213 L214M114-A119 HydrophobicContact CG-CB 3.81Å; M114-A119 HydrophobicContact SD-CB 4.14Å; P115-A119 PolarHBondContact O-N 2.69Å; I116-A119 PolarHBondContact O-N 2.85Å; A119-F123 WeakPolarHBondContact O-CB 3.22Å; A119-F123 PolarHBondContact O-N 3.07Å; A119-M213 HydrophobicContact CB-CB 3.97Å; A119-L214 HydrophobicContact CB-CD2 3.88Å; A119-L214 HydrophobicContact CB-CG 4.47Å
120Q96.4Very high94.2Very high10 Ų1028.6 Ų28.65%0.04716%0.163CC..Hα-helixtrans-60.1-49.4174.4-175.9-173.948.800111.3I116 G117 Q118 F122 F123 Q124 W277 Q280I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 PolarHBondContact O-N 3.48Å; G117-Q120 PolarHBondContact O-N 3.46Å; Q118-Q120 VanDerWaalsContact C-N 3.32Å; Q118-Q120 PolarHBondContact O-N 2.86Å; Q120-F122 PolarHBondContact O-N 2.88Å; Q120-F123 PolarHBondContact O-N 2.68Å; Q120-Q124 WeakPolarHBondContact O-CG 3.39Å; Q120-Q124 PolarHBondContact O-N 3Å; Q120-W277 VanDerWaalsContact CA-CH2 3.49Å; Q120-W277 HydrophobicContact CB-CH2 4.1Å; Q120-W277 HydrophobicContact CB-CZ2 3.67Å; Q120-W277 HydrophobicContact CG-CZ2 4.21Å; Q120-W277 PolarHBondContact NE2-O 3.49Å; Q120-Q280 PolarHBondContact NE2-O 2.87Å
121Y95.8Very high95.2Very high87 Ų8730.1 Ų30.134%0.34117%0.171SC..Hα-helixtrans-58.5-48.2-180179.2-105.2000112.5G117 Q118 Q125 E154G117-Y121 WeakPolarHBondContact O-CB 3.48Å; G117-Y121 PolarHBondContact O-N 3.25Å; Q118-Y121 PolarHBondContact O-N 3.2Å; Y121-Q125 WeakPolarHBondContact O-CG 3.36Å; Y121-Q125 PolarHBondContact O-N 2.93Å; Y121-E154 HydrophobicContact CE1-CB 3.83Å; Y121-E154 WeakPolarHBondContact CE1-O 3.39Å
122F97.4Very high95.8Very high1 Ų128.9 Ų28.90%0.00416%0.161CC..Hα-helixtrans-68.2-38.5175.8-72.4-45.2000112.3L103 R106 M114 Q118 Q120 Q124 Q125 L126 I150 E154 L156 M213L103-F122 HydrophobicContact CD1-CB 4.33Å; L103-F122 HydrophobicContact CD1-CD2 3.81Å; L103-F122 HydrophobicContact CD1-CE2 4.24Å; L103-F122 HydrophobicContact CD1-CG 4.12Å; R106-F122 HydrophobicContact CB-CE2 4.43Å; R106-F122 HydrophobicContact CG-CE2 4.48Å; M114-F122 HydrophobicContact CE-CD2 4.4Å; M114-F122 HydrophobicContact SD-CD2 3.8Å; M114-F122 HydrophobicContact SD-CE2 4.27Å; Q118-F122 HydrophobicContact CG-CD2 3.94Å; Q118-F122 HydrophobicContact CG-CE2 3.7Å; Q118-F122 WeakPolarHBondContact O-CD2 3.34Å; Q118-F122 PolarHBondContact O-N 3.23Å; Q120-F122 PolarHBondContact O-N 2.88Å; F122-Q124 PolarHBondContact O-N 2.99Å; F122-Q125 PolarHBondContact O-N 3.06Å; F122-L126 WeakPolarHBondContact O-CB 3.31Å; F122-L126 PolarHBondContact O-N 2.81Å; F122-I150 HydrophobicContact CD1-CD1 3.94Å; F122-I150 HydrophobicContact CE1-CD1 3.55Å; F122-I150 HydrophobicContact CE1-CG1 4.36Å; F122-I150 HydrophobicContact CE1-CG2 4.16Å; F122-I150 HydrophobicContact CZ-CD1 3.88Å; F122-I150 HydrophobicContact CZ-CG1 4.32Å; F122-I150 HydrophobicContact CZ-CG2 4.31Å; F122-E154 HydrophobicContact CE1-CB 4.39Å; F122-E154 WeakPolarHBondContact CZ-OE2 3.45Å; F122-L156 HydrophobicContact CB-CD1 4.14Å; F122-L156 HydrophobicContact CD1-CB 4.27Å; F122-L156 HydrophobicContact CD1-CD1 4.41Å; F122-L156 WeakPolarHBondContact O-CD1 3.45Å; F122-M213 HydrophobicContact CB-SD 3.91Å
123F97.9Very high96.3Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-63.9-40.6178.7-166.8-104.5000112.6A119 Q120 Q125 L126 I127 C206 L210 M213 L254 I258 I272 W277 L278A119-F123 WeakPolarHBondContact O-CB 3.22Å; A119-F123 PolarHBondContact O-N 3.07Å; Q120-F123 PolarHBondContact O-N 2.68Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 2.68Å; F123-L126 HydrophobicContact CD2-CD2 4.21Å; F123-L126 HydrophobicContact CE2-CD2 4.37Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.95Å; F123-I127 HydrophobicContact CD1-CG1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.81Å; F123-I127 HydrophobicContact CE1-CG1 3.44Å; F123-I127 VanDerWaalsContact CE1-CG1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.23Å; F123-I127 HydrophobicContact CE2-CG1 4.35Å; F123-I127 HydrophobicContact CG-CG1 4.38Å; F123-I127 HydrophobicContact CZ-CD1 3.65Å; F123-I127 HydrophobicContact CZ-CG1 3.79Å; F123-I127 WeakPolarHBondContact O-CB 3.18Å; F123-I127 VanDerWaalsContact O-CG1 3.31Å; F123-I127 WeakPolarHBondContact O-CG1 3.19Å; F123-I127 PolarHBondContact O-N 3.49Å; F123-C206 HydrophobicContact CE2-CB 4.07Å; F123-C206 WeakPolarHBondContact CE2-O 3.44Å; F123-C206 HydrophobicContact CZ-CB 4.42Å; F123-L210 HydrophobicContact CB-CD1 4.32Å; F123-L210 HydrophobicContact CD1-CD2 4.39Å; F123-L210 HydrophobicContact CD2-CB 3.79Å; F123-L210 HydrophobicContact CD2-CD1 4.03Å; F123-L210 HydrophobicContact CD2-CD2 4.19Å; F123-L210 HydrophobicContact CD2-CG 4.22Å; F123-L210 HydrophobicContact CE1-CD2 4.14Å; F123-L210 HydrophobicContact CE2-CB 3.64Å; F123-L210 HydrophobicContact CE2-CD2 3.98Å; F123-L210 HydrophobicContact CE2-CG 4.27Å; F123-L210 HydrophobicContact CG-CD1 4.14Å; F123-L210 HydrophobicContact CG-CD2 4.37Å; F123-L210 HydrophobicContact CZ-CB 4.36Å; F123-L210 HydrophobicContact CZ-CD2 3.92Å; F123-M213 HydrophobicContact CB-CE 3.8Å; F123-M213 HydrophobicContact CD2-CE 3.82Å; F123-M213 HydrophobicContact CG-CE 4.3Å; F123-L254 HydrophobicContact CE1-CD2 3.94Å; F123-I258 HydrophobicContact CE1-CD1 4.38Å; F123-I258 HydrophobicContact CZ-CD1 3.82Å; F123-I272 HydrophobicContact CE1-CG2 4.29Å; F123-W277 HydrophobicContact CB-CH2 3.86Å; F123-W277 HydrophobicContact CB-CZ3 3.72Å; F123-W277 HydrophobicContact CD1-CE3 4.07Å; F123-W277 HydrophobicContact CD1-CH2 4.37Å; F123-W277 AromaticContact CD1-CZ3 3.39Å; F123-W277 HydrophobicContact CD1-CZ3 3.39Å; F123-W277 HydrophobicContact CE1-CZ3 4.09Å; F123-W277 HydrophobicContact CG-CH2 4.23Å; F123-W277 AromaticContact CG-CZ3 3.65Å; F123-W277 HydrophobicContact CG-CZ3 3.65Å; F123-L278 HydrophobicContact CD1-CD1 4.13Å; F123-L278 HydrophobicContact CD1-CD2 4.34Å; F123-L278 HydrophobicContact CD1-CG 4.44Å; F123-L278 HydrophobicContact CE1-CD1 4.12Å
124Q97.6Very high96.6Very high66 Ų6624 Ų2431%0.30813%0.131SC..Hα-helixtrans-57.3-43.6174-75.2170.9-24.800111.5Q120 F122 I127 A128 L278Q120-Q124 WeakPolarHBondContact O-CG 3.39Å; Q120-Q124 PolarHBondContact O-N 3Å; F122-Q124 PolarHBondContact O-N 2.99Å; Q124-I127 PolarHBondContact O-N 3.31Å; Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.02Å; Q124-L278 HydrophobicContact CG-CD2 4.33Å; Q124-L278 HydrophobicContact CG-CG 4.23Å; Q124-L278 PolarHBondContact NE2-O 3.28Å
125Q98.4Very high96.8Very high8 Ų826.5 Ų26.54%0.03715%0.15CC..Hα-helixtrans-68-38.9177.3-68.8-167.784.800112.9N77 Y121 F122 F123 A128 G129 E154 L156N77-Q125 WeakPolarHBondContact CB-O 3.49Å; N77-Q125 WeakPolarHBondContact ND2-CB 3.01Å; N77-Q125 PolarHBondContact ND2-OE1 3.12Å; Y121-Q125 WeakPolarHBondContact O-CG 3.36Å; Y121-Q125 PolarHBondContact O-N 2.93Å; F122-Q125 PolarHBondContact O-N 3.06Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 2.68Å; Q125-A128 PolarHBondContact O-N 3.46Å; Q125-G129 PolarHBondContact O-N 2.96Å; Q125-E154 PolarHBondContact NE2-O 2.76Å; Q125-L156 HydrophobicContact CB-CB 3.76Å; Q125-L156 HydrophobicContact CB-CD1 4.43Å; Q125-L156 HydrophobicContact CB-CG 4.47Å
126L98.7Very high97Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..Hα-helixtrans-60.2-50.1173.8178.462000110.3F122 F123 A128 G129 V130 V148 L156 I158 C206 V209F122-L126 WeakPolarHBondContact O-CB 3.31Å; F122-L126 PolarHBondContact O-N 2.81Å; F123-L126 HydrophobicContact CD2-CD2 4.21Å; F123-L126 HydrophobicContact CE2-CD2 4.37Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.95Å; L126-A128 PolarHBondContact O-N 3.3Å; L126-G129 PolarHBondContact O-N 3.45Å; L126-G129 VanDerWaalsContact O-N 3.17Å; L126-V130 HydrophobicContact CD1-CG2 4.1Å; L126-V130 HydrophobicContact CG-CG2 4.48Å; L126-V130 WeakPolarHBondContact O-CG2 3.27Å; L126-V130 PolarHBondContact O-N 2.79Å; L126-V148 HydrophobicContact CD1-CG2 4.18Å; L126-L156 HydrophobicContact CB-CD1 4Å; L126-L156 HydrophobicContact CB-CD2 4.38Å; L126-L156 HydrophobicContact CD1-CD2 4.47Å; L126-I158 HydrophobicContact CD1-CD1 4.07Å; L126-I158 HydrophobicContact CD1-CG1 4.03Å; L126-C206 HydrophobicContact CD2-CB 4.24Å; L126-V209 HydrophobicContact CD2-CB 4.25Å; L126-V209 HydrophobicContact CD2-CG1 3.88Å
127I98.6Very high97.2Very high2 Ų227 Ų271%0.0114%0.143CC..Hα-helixtrans-59.5-44.8177.6-69.7-54.1000111.3F123 Q124 G129 V130 D131 C206 M269 I272 K273 L278F123-I127 HydrophobicContact CD1-CG1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.81Å; F123-I127 HydrophobicContact CE1-CG1 3.44Å; F123-I127 VanDerWaalsContact CE1-CG1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.23Å; F123-I127 HydrophobicContact CE2-CG1 4.35Å; F123-I127 HydrophobicContact CG-CG1 4.38Å; F123-I127 HydrophobicContact CZ-CD1 3.65Å; F123-I127 HydrophobicContact CZ-CG1 3.79Å; F123-I127 WeakPolarHBondContact O-CB 3.18Å; F123-I127 VanDerWaalsContact O-CG1 3.31Å; F123-I127 WeakPolarHBondContact O-CG1 3.19Å; F123-I127 PolarHBondContact O-N 3.49Å; Q124-I127 PolarHBondContact O-N 3.31Å; I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.27Å; I127-V130 PolarHBondContact O-N 2.77Å; I127-D131 VanDerWaalsContact O-CB 3.24Å; I127-D131 WeakPolarHBondContact O-CB 3.46Å; I127-D131 PolarHBondContact O-N 2.66Å; I127-C206 HydrophobicContact CD1-CB 4.33Å; I127-M269 HydrophobicContact CD1-SD 4.2Å; I127-M269 HydrophobicContact CG2-SD 3.75Å; I127-I272 HydrophobicContact CD1-CG2 3.89Å; I127-I272 HydrophobicContact CG1-CG2 3.96Å; I127-I272 HydrophobicContact CG2-CG2 4.16Å; I127-K273 HydrophobicContact CG2-CG 3.87Å; I127-L278 HydrophobicContact CB-CD2 4.31Å; I127-L278 HydrophobicContact CG1-CD2 4.19Å; I127-L278 HydrophobicContact CG2-CD2 4.18Å
128A98.4Very high97.4Very high37 Ų3726 Ų2631%0.30613%0.132SC..Hα-helixtrans-60.4-41.7175.700000112.5Q124 Q125 L126 Y132Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.02Å; Q125-A128 PolarHBondContact O-N 3.46Å; L126-A128 PolarHBondContact O-N 3.3Å; A128-Y132 WeakPolarHBondContact O-CB 3.48Å; A128-Y132 PolarHBondContact O-N 2.62Å; A128-Y132 VanDerWaalsContact O-N 3.13Å
129G98.7Very high97.6Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-65.2-46.1176.200000113Q125 L126 I127 Y132 I133Q125-G129 PolarHBondContact O-N 2.96Å; L126-G129 PolarHBondContact O-N 3.45Å; L126-G129 VanDerWaalsContact O-N 3.17Å; I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.27Å; G129-Y132 PolarHBondContact O-N 2.7Å; G129-I133 WeakPolarHBondContact O-CD1 3.43Å; G129-I133 VanDerWaalsContact O-CG1 3.24Å; G129-I133 WeakPolarHBondContact O-CG1 3.48Å; G129-I133 PolarHBondContact O-N 2.89Å
130V98.8Very high97.7Very high1 Ų123 Ų231%0.00612%0.118CC..Hα-helixtrans-68.6-42.2-179.6178.20000111.3L126 I127 Y132 I133 H134 L143 I158 D202 M269L126-V130 HydrophobicContact CD1-CG2 4.1Å; L126-V130 HydrophobicContact CG-CG2 4.48Å; L126-V130 WeakPolarHBondContact O-CG2 3.27Å; L126-V130 PolarHBondContact O-N 2.79Å; I127-V130 PolarHBondContact O-N 2.77Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 2.89Å; V130-I133 PolarHBondContact O-N 3.49Å; V130-I133 VanDerWaalsContact O-N 3.15Å; V130-H134 VanDerWaalsContact CG1-CE1 3.49Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.34Å; V130-H134 WeakPolarHBondContact O-CB 3.32Å; V130-H134 PolarHBondContact O-N 2.62Å; V130-L143 HydrophobicContact CG1-CD1 4.43Å; V130-L143 HydrophobicContact CG2-CD1 3.67Å; V130-L143 HydrophobicContact CG2-CD2 4.36Å; V130-I158 HydrophobicContact CG2-CD1 3.66Å; V130-D202 HydrophobicContact CG1-CB 4.05Å; V130-M269 HydrophobicContact CB-CE 4.06Å; V130-M269 HydrophobicContact CG1-CE 3.57Å
131D98.5Very high97.6Very high43 Ų4323.8 Ų23.823%0.2312%0.12CC..Hα-helixtrans-57.3-44.8174.3-170.634000111.1I127 H134 S135 M269 K273I127-D131 VanDerWaalsContact O-CB 3.24Å; I127-D131 WeakPolarHBondContact O-CB 3.46Å; I127-D131 PolarHBondContact O-N 2.66Å; D131-H134 PolarHBondContact O-N 3.23Å; D131-S135 WeakPolarHBondContact O-CB 3.36Å; D131-S135 PolarHBondContact O-N 2.65Å; D131-M269 HydrophobicContact CB-CG 3.57Å; D131-M269 HydrophobicContact CB-SD 4.11Å; D131-M269 VanDerWaalsContact OD1-CG 3.25Å; D131-M269 WeakPolarHBondContact OD1-CG 3.24Å; D131-K273 IonicContact OD1-NZ 2.76Å; D131-K273 IonicContact OD2-NZ 3.34Å; D131-K273 PolarHBondContact OD2-NZ 3.47Å
132Y98.6Very high97.6Very high38 Ų3820.1 Ų20.115%0.14911%0.106CC..Hα-helixtrans-60.1-48.3173.8174-94.3000112.2L73 K74 H75 V78 A128 G129 V130 H134 S135 K136L73-Y132 HydrophobicContact CB-CE1 4.24Å; L73-Y132 HydrophobicContact CD2-CD1 4.35Å; L73-Y132 HydrophobicContact CD2-CE1 3.75Å; K74-Y132 PolarHBondContact N-OH 3.27Å; K74-Y132 PolarHBondContact O-OH 3.5Å; H75-Y132 HydrophobicContact CB-CD1 3.43Å; H75-Y132 VanDerWaalsContact CB-CD1 3.43Å; H75-Y132 HydrophobicContact CB-CD2 4.02Å; H75-Y132 HydrophobicContact CB-CE1 3.63Å; H75-Y132 HydrophobicContact CB-CE2 4.16Å; H75-Y132 HydrophobicContact CB-CG 3.64Å; H75-Y132 AromaticContact CD2-CD2 3.86Å; H75-Y132 AromaticContact CD2-CG 3.84Å; H75-Y132 AromaticContact CG-CD1 3.97Å; H75-Y132 AromaticContact CG-CG 3.71Å; V78-Y132 HydrophobicContact CG2-CD1 4.18Å; A128-Y132 WeakPolarHBondContact O-CB 3.48Å; A128-Y132 PolarHBondContact O-N 2.62Å; A128-Y132 VanDerWaalsContact O-N 3.13Å; G129-Y132 PolarHBondContact O-N 2.7Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 2.89Å; Y132-H134 VanDerWaalsContact C-N 3.3Å; Y132-H134 PolarHBondContact O-N 3.24Å; Y132-S135 WeakPolarHBondContact O-CB 3.23Å; Y132-S135 PolarHBondContact O-N 2.76Å; Y132-S135 VanDerWaalsContact O-N 3.15Å; Y132-S135 PolarHBondContact O-OG 2.87Å; Y132-K136 HydrophobicContact CE1-CG 4.12Å; Y132-K136 VanDerWaalsContact CE2-CE 3.4Å; Y132-K136 HydrophobicContact CE2-CG 4.47Å; Y132-K136 PolarHBondContact O-N 2.92Å; Y132-K136 VanDerWaalsContact OH-CE 3.26Å; Y132-K136 WeakPolarHBondContact OH-CE 3.45Å
133I98.5Very high97.6Very high1 Ų120.1 Ų20.11%0.00511%0.106CC..Hα-helixtrans-57.7-46.2178.8-69.6162.6000110.2L73 V78 G129 V130 S135 K136 I138 I158 F161L73-I133 HydrophobicContact CD1-CG1 4.43Å; V78-I133 HydrophobicContact CG2-CD1 3.92Å; V78-I133 HydrophobicContact CG2-CG1 3.88Å; G129-I133 WeakPolarHBondContact O-CD1 3.43Å; G129-I133 VanDerWaalsContact O-CG1 3.24Å; G129-I133 WeakPolarHBondContact O-CG1 3.48Å; G129-I133 PolarHBondContact O-N 2.89Å; V130-I133 PolarHBondContact O-N 3.49Å; V130-I133 VanDerWaalsContact O-N 3.15Å; I133-S135 PolarHBondContact O-N 2.89Å; I133-K136 PolarHBondContact O-N 3.11Å; I133-K136 VanDerWaalsContact O-N 3.13Å; I133-I138 CarbonylContact C-O 2.99Å; I133-I138 HydrophobicContact CG2-CB 3.91Å; I133-I138 HydrophobicContact CG2-CG2 3.74Å; I133-I138 WeakPolarHBondContact CG2-O 3.3Å; I133-I138 PolarHBondContact O-N 2.72Å; I133-I158 HydrophobicContact CD1-CB 4.3Å; I133-I158 HydrophobicContact CD1-CD1 3.73Å; I133-I158 HydrophobicContact CD1-CG2 3.94Å; I133-F161 HydrophobicContact CD1-CE1 3.89Å; I133-F161 HydrophobicContact CD1-CZ 3.75Å; I133-F161 HydrophobicContact CG1-CE1 4.21Å; I133-F161 HydrophobicContact CG1-CZ 4.3Å; I133-F161 HydrophobicContact CG2-CE1 4.45Å
134H98Very high97.4Very high1 Ų120.4 Ų20.41%0.00511%0.108CC..Hα-helixtrans-62.5-40.3176.3-71.3-178000112.1V130 D131 Y132 K136 G137 I138 R168 Q199 D202V130-H134 VanDerWaalsContact CG1-CE1 3.49Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.34Å; V130-H134 WeakPolarHBondContact O-CB 3.32Å; V130-H134 PolarHBondContact O-N 2.62Å; D131-H134 PolarHBondContact O-N 3.23Å; Y132-H134 VanDerWaalsContact C-N 3.3Å; Y132-H134 PolarHBondContact O-N 3.24Å; H134-K136 PolarHBondContact O-N 3.25Å; H134-G137 WeakPolarHBondContact O-CA 3.43Å; H134-G137 PolarHBondContact O-N 3.04Å; H134-I138 WeakPolarHBondContact CA-O 3.28Å; H134-I138 PolarHBondContact CD2-O 2.8Å; H134-R168 PolarHBondContact O-NH2 3.28Å; H134-Q199 HydrophobicContact CB-CG 4.23Å; H134-Q199 PolarHBondContact CE1-O 3.31Å; H134-Q199 PolarHBondContact ND1-NE2 3.2Å; H134-D202 IonicContact CD2-OD2 2.74Å; H134-D202 IonicContact CE1-OD2 3.62Å; H134-D202 WeakPolarHBondContact NE2-CB 3.23Å; H134-D202 IonicContact NE2-OD2 3.77Å; H134-D202 PolarHBondContact NE2-OD2 2.88Å
135S96.7Very high97.1Very high70 Ų7017.3 Ų17.349%0.499%0.094SC..Hα-helixtrans-59-28.6176.4840000112.6D131 Y132 I133 G137D131-S135 WeakPolarHBondContact O-CB 3.36Å; D131-S135 PolarHBondContact O-N 2.65Å; Y132-S135 WeakPolarHBondContact O-CB 3.23Å; Y132-S135 PolarHBondContact O-N 2.76Å; Y132-S135 VanDerWaalsContact O-N 3.15Å; Y132-S135 PolarHBondContact O-OG 2.87Å; I133-S135 PolarHBondContact O-N 2.89Å; S135-G137 PolarHBondContact O-N 2.66Å
136K96.7Very high96.6Very high107 Ų10717.3 Ų17.347%0.4659%0.093SC..THydrogen-bonded Turntrans-83.44.1174.9-59.1-56-178.7-172.40113.8L73 Y132 I133 H134 I138L73-K136 HydrophobicContact CD2-CB 4.07Å; L73-K136 HydrophobicContact CD2-CG 3.93Å; Y132-K136 HydrophobicContact CE1-CG 4.12Å; Y132-K136 VanDerWaalsContact CE2-CE 3.4Å; Y132-K136 HydrophobicContact CE2-CG 4.47Å; Y132-K136 PolarHBondContact O-N 2.92Å; Y132-K136 VanDerWaalsContact OH-CE 3.26Å; Y132-K136 WeakPolarHBondContact OH-CE 3.45Å; I133-K136 PolarHBondContact O-N 3.11Å; I133-K136 VanDerWaalsContact O-N 3.13Å; H134-K136 PolarHBondContact O-N 3.25Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 HydrophobicContact CB-CD1 4.05Å; K136-I138 PolarHBondContact O-N 2.86Å
137G96.2Very high96.3Very high2 Ų217.2 Ų17.22%0.0219%0.093CC..THydrogen-bonded Turntrans71.721.6-178.100000113.2H134 S135 V166 F167 R168H134-G137 WeakPolarHBondContact O-CA 3.43Å; H134-G137 PolarHBondContact O-N 3.04Å; S135-G137 PolarHBondContact O-N 2.66Å; G137-V166 CarbonylContact O-C 3.48Å; G137-V166 VanDerWaalsContact O-CA 3.29Å; G137-V166 WeakPolarHBondContact O-CA 3.38Å; G137-F167 VanDerWaalsContact C-CD1 3.42Å; G137-F167 WeakPolarHBondContact O-CD1 3.4Å; G137-F167 PolarHBondContact O-N 3.35Å; G137-R168 PolarHBondContact O-N 2.75Å
138I97.1Very high96.1Very high8 Ų817.1 Ų17.14%0.0419%0.093CC..EExtended strand (participates in β ladder)trans-108.8144.7179.6-66.3156.2000108.8V69 L73 I133 H134 K136 A164 T165 V166 F167V69-I138 HydrophobicContact CG1-CD1 4.1Å; V69-I138 HydrophobicContact CG1-CG2 3.99Å; L73-I138 HydrophobicContact CD1-CD1 4.42Å; L73-I138 HydrophobicContact CD2-CD1 3.74Å; L73-I138 HydrophobicContact CG-CD1 4.17Å; I133-I138 CarbonylContact C-O 2.99Å; I133-I138 HydrophobicContact CG2-CB 3.91Å; I133-I138 HydrophobicContact CG2-CG2 3.74Å; I133-I138 WeakPolarHBondContact CG2-O 3.3Å; I133-I138 PolarHBondContact O-N 2.72Å; H134-I138 WeakPolarHBondContact CA-O 3.28Å; H134-I138 PolarHBondContact CD2-O 2.8Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 HydrophobicContact CB-CD1 4.05Å; K136-I138 PolarHBondContact O-N 2.86Å; I138-A164 HydrophobicContact CG2-CB 4.24Å; I138-T165 WeakPolarHBondContact CA-O 3.11Å; I138-V166 HydrophobicContact CG1-CG2 4.24Å; I138-F167 WeakPolarHBondContact O-CE1 3.43Å
139T97Very high95.9Very high0 Ų015.5 Ų15.50%08%0.079CC..EExtended strand (participates in β ladder)trans-119.8147.7167.5174.90000109.5R141 A164 T165 F167 L177 A198 D202T139-R141 HydrophobicContact CG2-CG 3.66Å; T139-R141 WeakPolarHBondContact OG1-CG 3.14Å; T139-A164 WeakPolarHBondContact O-CA 3.19Å; T139-A164 WeakPolarHBondContact O-CB 3.41Å; T139-T165 HydrophobicContact CG2-CG2 3.8Å; T139-T165 PolarHBondContact N-O 3.17Å; T139-T165 PolarHBondContact O-N 2.88Å; T139-T165 VanDerWaalsContact O-N 3.08Å; T139-F167 HydrophobicContact CG2-CB 4.46Å; T139-F167 HydrophobicContact CG2-CD1 4.23Å; T139-L177 HydrophobicContact CG2-CD1 3.67Å; T139-A198 HydrophobicContact CG2-CB 3.73Å; T139-D202 WeakPolarHBondContact CA-OD2 3.39Å; T139-D202 WeakPolarHBondContact CB-OD2 3.36Å; T139-D202 VanDerWaalsContact OG1-CG 3.27Å; T139-D202 PolarHBondContact OG1-OD1 2.84Å; T139-D202 PolarHBondContact OG1-OD2 3.37Å
140H97Very high95.6Very high1 Ų115.5 Ų15.51%0.0058%0.079CC..  trans-84.7-50.2-177-168.7-67.3000112.2D142 L143 I158 S159 D160 M163 A164 D202H140-D142 VanDerWaalsContact C-N 3.26Å; H140-D142 PolarHBondContact CE1-O 3.48Å; H140-D142 PolarHBondContact ND1-N 3.41Å; H140-D142 PolarHBondContact O-N 3.44Å; H140-L143 HydrophobicContact CB-CD1 4.32Å; H140-L143 HydrophobicContact CB-CD2 4.08Å; H140-L143 HydrophobicContact CB-CG 3.89Å; H140-I158 VanDerWaalsContact CD2-CG2 3.44Å; H140-I158 WeakPolarHBondContact CD2-CG2 3.32Å; H140-S159 PolarHBondContact NE2-O 3.48Å; H140-D160 PolarHBondContact CE1-O 3.15Å; H140-D160 PolarHBondContact NE2-O 2.82Å; H140-M163 CarbonylContact O-C 3.51Å; H140-A164 PolarHBondContact O-N 3.07Å; H140-D202 PolarHBondContact N-OD1 3.29Å; H140-D202 PolarHBondContact N-OD2 2.95Å
141R96.1Very high95.2Very high25 Ų2516 Ų169%0.0948%0.083CC..SBendtrans65.911.9177.5-48.1-171.4-64.3161.51.3117.1T139 M163 C181 G182 Y196 D202T139-R141 HydrophobicContact CG2-CG 3.66Å; T139-R141 WeakPolarHBondContact OG1-CG 3.14Å; R141-M163 VanDerWaalsContact CZ-O 3.23Å; R141-M163 PolarHBondContact NE-O 2.99Å; R141-M163 PolarHBondContact NH2-O 3.39Å; R141-C181 PolarHBondContact NH1-SG 3Å; R141-C181 VanDerWaalsContact NH1-SG 3.42Å; R141-G182 VanDerWaalsContact O-CA 3.29Å; R141-G182 WeakPolarHBondContact O-CA 3.47Å; R141-Y196 PolarHBondContact NH1-OH 3.09Å; R141-D202 PolarHBondContact N-OD1 2.81Å
142D95.4Very high94.7Very high10 Ų1021.5 Ų21.55%0.05311%0.107CC..  trans-154.546174.2-16036.6000110.9H140 K144 N147 M163 G182 T183H140-D142 VanDerWaalsContact C-N 3.26Å; H140-D142 PolarHBondContact CE1-O 3.48Å; H140-D142 PolarHBondContact ND1-N 3.41Å; H140-D142 PolarHBondContact O-N 3.44Å; D142-K144 PolarHBondContact O-N 2.87Å; D142-K144 IonicContact OD1-NZ 2.99Å; D142-K144 WeakPolarHBondContact OD2-CE 3.44Å; D142-K144 IonicContact OD2-NZ 2.73Å; D142-K144 PolarHBondContact OD2-NZ 2.73Å; D142-N147 PolarHBondContact O-ND2 3.43Å; D142-N147 PolarHBondContact OD2-ND2 3.24Å; D142-M163 HydrophobicContact CB-CB 4.24Å; D142-M163 HydrophobicContact CB-CG 4.19Å; D142-G182 WeakPolarHBondContact OD1-CA 3.39Å; D142-T183 WeakPolarHBondContact OD1-CB 3.26Å; D142-T183 PolarHBondContact OD1-N 3.22Å; D142-T183 PolarHBondContact OD1-OG1 3.49Å
143L97Very high94.3Very high1 Ų122.5 Ų22.51%0.00513%0.129CC..  trans-75.6119.5175.9-69.3167.1000109.2V130 H140 I158 D202V130-L143 HydrophobicContact CG1-CD1 4.43Å; V130-L143 HydrophobicContact CG2-CD1 3.67Å; V130-L143 HydrophobicContact CG2-CD2 4.36Å; H140-L143 HydrophobicContact CB-CD1 4.32Å; H140-L143 HydrophobicContact CB-CD2 4.08Å; H140-L143 HydrophobicContact CB-CG 3.89Å; L143-I158 HydrophobicContact CD2-CG2 3.83Å; L143-D202 HydrophobicContact CD1-CB 3.81Å
144K93.3Very high94Very high6 Ų625.2 Ų25.23%0.02614%0.142CC..  trans-155.6161.1177.758.9-176.9169.7-168.90109.1D142 E146 N147 V148 T183 Y186D142-K144 PolarHBondContact O-N 2.87Å; D142-K144 IonicContact OD1-NZ 2.99Å; D142-K144 WeakPolarHBondContact OD2-CE 3.44Å; D142-K144 IonicContact OD2-NZ 2.73Å; D142-K144 PolarHBondContact OD2-NZ 2.73Å; K144-E146 WeakPolarHBondContact CB-OE2 3.14Å; K144-E146 WeakPolarHBondContact CD-OE2 3.26Å; K144-E146 HydrophobicContact CG-CB 4.41Å; K144-E146 VanDerWaalsContact CG-OE2 3.31Å; K144-E146 WeakPolarHBondContact CG-OE2 3.32Å; K144-E146 PolarHBondContact O-N 3.01Å; K144-E146 VanDerWaalsContact O-N 3.11Å; K144-N147 VanDerWaalsContact CE-ND2 3.32Å; K144-N147 WeakPolarHBondContact CE-ND2 3.47Å; K144-N147 HydrophobicContact CG-CB 4.08Å; K144-N147 PolarHBondContact O-N 2.86Å; K144-V148 WeakPolarHBondContact O-CG2 3.22Å; K144-V148 PolarHBondContact O-N 3.25Å; K144-T183 HydrophobicContact CD-CG2 4.18Å; K144-T183 WeakPolarHBondContact CD-OG1 3.47Å; K144-T183 PolarHBondContact NZ-OG1 3.29Å; K144-Y186 HydrophobicContact CB-CD1 4.03Å; K144-Y186 HydrophobicContact CB-CD2 3.85Å; K144-Y186 HydrophobicContact CB-CE1 4.02Å; K144-Y186 HydrophobicContact CB-CE2 3.81Å; K144-Y186 HydrophobicContact CB-CG 3.97Å
145P92.3Very high94Very high2 Ų226.5 Ų26.51%0.01315%0.15CC..G310 helixtrans-57.8-26.8-175.3-26.137.3000114.6L103 Y104 I107 V148 Y186 V209 A212L103-P145 HydrophobicContact CB-CB 4.5Å; L103-P145 HydrophobicContact CG-CB 4.45Å; L103-P145 PolarHBondContact N-O 3.11Å; Y104-P145 PolarHBondContact N-O 3.39Å; Y104-P145 VanDerWaalsContact N-O 3.09Å; I107-P145 HydrophobicContact CD1-CB 3.71Å; I107-P145 HydrophobicContact CD1-CG 3.69Å; P145-V148 VanDerWaalsContact O-O 3.14Å; P145-Y186 VanDerWaalsContact CD-CE1 3.49Å; P145-Y186 VanDerWaalsContact CD-CZ 3.45Å; P145-Y186 WeakPolarHBondContact CD-OH 3.4Å; P145-Y186 HydrophobicContact CG-CE1 4.33Å; P145-V209 HydrophobicContact CG-CG1 4.47Å; P145-V209 HydrophobicContact CG-CG2 4.43Å; P145-A212 HydrophobicContact CG-CB 4.34Å
146E87.5Confident94Very high7 Ų723.2 Ų23.23%0.03313%0.127CC..G310 helixtrans-73.3-28.3176.3-57.686.6166.100112.8Y104 K144 V148 G455Y104-E146 HydrophobicContact CG-CG 4.34Å; K144-E146 WeakPolarHBondContact CB-OE2 3.14Å; K144-E146 WeakPolarHBondContact CD-OE2 3.26Å; K144-E146 HydrophobicContact CG-CB 4.41Å; K144-E146 VanDerWaalsContact CG-OE2 3.31Å; K144-E146 WeakPolarHBondContact CG-OE2 3.32Å; K144-E146 PolarHBondContact O-N 3.01Å; K144-E146 VanDerWaalsContact O-N 3.11Å; E146-V148 VanDerWaalsContact C-N 3.31Å; E146-G455 PolarHBondContact OE1-N 2.82Å; E146-G455 VanDerWaalsContact OE1-N 3.07Å
147N91.6Very high94.1Very high0 Ų019 Ų190%011%0.108CC..G310 helixtrans-924.8178.3-73.9-2.2000112.5D142 K144 S159 D160D142-N147 PolarHBondContact O-ND2 3.43Å; D142-N147 PolarHBondContact OD2-ND2 3.24Å; K144-N147 VanDerWaalsContact CE-ND2 3.32Å; K144-N147 WeakPolarHBondContact CE-ND2 3.47Å; K144-N147 HydrophobicContact CG-CB 4.08Å; K144-N147 PolarHBondContact O-N 2.86Å; N147-S159 CarbonylContact O-C 3.57Å; N147-S159 WeakPolarHBondContact O-CA 3.25Å; N147-S159 PolarHBondContact O-N 2.66Å; N147-S159 PolarHBondContact O-OG 3.36Å; N147-D160 HydrophobicContact CB-CB 4.34Å; N147-D160 PolarHBondContact ND2-OD2 3.09Å; N147-D160 PolarHBondContact OD1-OD2 2.91Å
148V94.9Very high94.2Very high0 Ų018.9 Ų18.90%011%0.107CC..EExtended strand (participates in β ladder)trans-114113.4177178.70000107.9L103 L126 K144 P145 E146 L156L103-V148 HydrophobicContact CB-CB 3.91Å; L103-V148 HydrophobicContact CB-CG1 3.84Å; L103-V148 WeakPolarHBondContact CB-O 3.45Å; L103-V148 HydrophobicContact CD2-CB 4.07Å; L103-V148 HydrophobicContact CD2-CG1 3.83Å; L103-V148 HydrophobicContact CG-CG1 4.44Å; L103-V148 PolarHBondContact N-O 2.98Å; L126-V148 HydrophobicContact CD1-CG2 4.18Å; K144-V148 WeakPolarHBondContact O-CG2 3.22Å; K144-V148 PolarHBondContact O-N 3.25Å; P145-V148 VanDerWaalsContact O-O 3.14Å; E146-V148 VanDerWaalsContact C-N 3.31Å; V148-L156 HydrophobicContact CG1-CD1 3.47Å; V148-L156 VanDerWaalsContact CG1-CD1 3.47Å; V148-L156 HydrophobicContact CG1-CD2 3.8Å; V148-L156 HydrophobicContact CG1-CG 3.39Å
149L93.8Very high94.1Very high2 Ų218.9 Ų18.91%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-97.7161.3-179.8-53.7177.1000110.8I79 A98 G101 E102 L156 K157 Q355I79-L149 HydrophobicContact CD1-CD1 4.23Å; A98-L149 HydrophobicContact CB-CB 3.59Å; A98-L149 HydrophobicContact CB-CD1 3.97Å; A98-L149 HydrophobicContact CB-CG 4.39Å; G101-L149 CarbonylContact O-C 3.47Å; G101-L149 VanDerWaalsContact O-CA 3.27Å; G101-L149 WeakPolarHBondContact O-CA 3.47Å; E102-L149 HydrophobicContact CG-CD2 3.89Å; L149-L156 CarbonylContact O-C 3.29Å; L149-L156 WeakPolarHBondContact O-CA 3.44Å; L149-K157 HydrophobicContact CB-CB 4.3Å; L149-K157 PolarHBondContact N-O 3.05Å; L149-K157 PolarHBondContact O-N 3.04Å; L149-Q355 HydrophobicContact CD1-CG 4.23Å
150I93.2Very high93.7Very high0 Ų019.7 Ų19.70%011%0.112CC..EExtended strand (participates in β ladder)trans-118.8125.5173.7-48.1-59.8000107.4A98 E100 G101 L103 R106 F122 L156A98-I150 CarbonylContact C-O 3.45Å; A98-I150 WeakPolarHBondContact CB-O 2.95Å; E100-I150 CarbonylContact C-O 3.36Å; E100-I150 VanDerWaalsContact CA-O 3.28Å; E100-I150 WeakPolarHBondContact CA-O 3.46Å; E100-I150 HydrophobicContact CB-CB 3.72Å; E100-I150 HydrophobicContact CB-CG2 3.65Å; E100-I150 VanDerWaalsContact CB-O 3.26Å; E100-I150 WeakPolarHBondContact CB-O 3.02Å; E100-I150 HydrophobicContact CG-CG2 4.25Å; E100-I150 PolarHBondContact N-O 3.23Å; G101-I150 PolarHBondContact N-O 3.46Å; G101-I150 PolarHBondContact O-N 2.87Å; L103-I150 HydrophobicContact CB-CD1 4.34Å; L103-I150 HydrophobicContact CD1-CD1 4.3Å; R106-I150 HydrophobicContact CG-CG1 4.02Å; F122-I150 HydrophobicContact CD1-CD1 3.94Å; F122-I150 HydrophobicContact CE1-CD1 3.55Å; F122-I150 HydrophobicContact CE1-CG1 4.36Å; F122-I150 HydrophobicContact CE1-CG2 4.16Å; F122-I150 HydrophobicContact CZ-CD1 3.88Å; F122-I150 HydrophobicContact CZ-CG1 4.32Å; F122-I150 HydrophobicContact CZ-CG2 4.31Å; I150-L156 HydrophobicContact CD1-CB 4.23Å; I150-L156 HydrophobicContact CD1-CG 4.43Å
151A90.6Very high93.5Very high12 Ų1219.7 Ų19.710%0.09911%0.112CC..EExtended strand (participates in β ladder)trans-96.5173.4172.600000110.5A98 E100 E154 V155 K157A98-A151 HydrophobicContact CB-CB 4.33Å; E100-A151 WeakPolarHBondContact CG-O 3.41Å; A151-E154 PolarHBondContact O-N 2.81Å; A151-V155 HydrophobicContact CB-CB 4.42Å; A151-V155 PolarHBondContact N-O 2.85Å; A151-V155 PolarHBondContact O-N 3.31Å; A151-K157 HydrophobicContact CB-CG 3.99Å
152E87.5Confident93.2Very high158 Ų15819.2 Ų19.274%0.73812%0.115SC*.G310 helixtrans-47.4141.4175.2-172.9177.9-16400111.9S99S99-E152 PolarHBondContact OG-N 2.94Å
153G90.3Very high93Very high59 Ų5921.4 Ų21.461%0.60813%0.126SC*.G310 helixtrans71.528.2-177.200000113.9V155G153-V155 PolarHBondContact O-N 2.79Å
154E93Very high92.9Very high59 Ų5921.5 Ų21.528%0.27613%0.127SC..G310 helixtrans60.628.7176.8-57.7-74.9132.900113.3R106 Q118 Y121 F122 Q125 A151 L156R106-E154 IonicContact CZ-OE1 2.82Å; R106-E154 VanDerWaalsContact CZ-OE1 3.29Å; R106-E154 IonicContact CZ-OE2 2.72Å; R106-E154 VanDerWaalsContact NH1-CD 3.28Å; R106-E154 IonicContact NH1-OE1 3.02Å; R106-E154 PolarHBondContact NH1-OE1 2.93Å; R106-E154 IonicContact NH1-OE2 3.17Å; R106-E154 PolarHBondContact NH1-OE2 2.91Å; R106-E154 IonicContact NH2-OE1 3.31Å; R106-E154 PolarHBondContact NH2-OE1 2.84Å; R106-E154 IonicContact NH2-OE2 2.73Å; Q118-E154 PolarHBondContact NE2-OE2 2.82Å; Q118-E154 VanDerWaalsContact NE2-OE2 3.11Å; Y121-E154 HydrophobicContact CE1-CB 3.83Å; Y121-E154 WeakPolarHBondContact CE1-O 3.39Å; F122-E154 HydrophobicContact CE1-CB 4.39Å; F122-E154 WeakPolarHBondContact CZ-OE2 3.45Å; Q125-E154 PolarHBondContact NE2-O 2.76Å; A151-E154 PolarHBondContact O-N 2.81Å; E154-L156 PolarHBondContact O-N 2.76Å
155V96.4Very high92.9Very high28 Ų2822.2 Ų22.217%0.1713%0.131CC..EExtended strand (participates in β ladder)trans-84.3111.8-178.9-178.30000109.9A151 G153A151-V155 HydrophobicContact CB-CB 4.42Å; A151-V155 PolarHBondContact N-O 2.85Å; A151-V155 PolarHBondContact O-N 3.31Å; G153-V155 PolarHBondContact O-N 2.79Å
156L97.8Very high93Very high0 Ų025.4 Ų25.40%015%0.151CC..EExtended strand (participates in β ladder)trans-67.1136175.6179.4153.8000110.8N77 F122 Q125 L126 V148 L149 I150 E154 I158N77-L156 WeakPolarHBondContact CA-O 2.84Å; N77-L156 HydrophobicContact CB-CD2 4.5Å; N77-L156 WeakPolarHBondContact CB-O 3.16Å; N77-L156 PolarHBondContact ND2-O 3.24Å; F122-L156 HydrophobicContact CB-CD1 4.14Å; F122-L156 HydrophobicContact CD1-CB 4.27Å; F122-L156 HydrophobicContact CD1-CD1 4.41Å; F122-L156 WeakPolarHBondContact O-CD1 3.45Å; Q125-L156 HydrophobicContact CB-CB 3.76Å; Q125-L156 HydrophobicContact CB-CD1 4.43Å; Q125-L156 HydrophobicContact CB-CG 4.47Å; L126-L156 HydrophobicContact CB-CD1 4Å; L126-L156 HydrophobicContact CB-CD2 4.38Å; L126-L156 HydrophobicContact CD1-CD2 4.47Å; V148-L156 HydrophobicContact CG1-CD1 3.47Å; V148-L156 VanDerWaalsContact CG1-CD1 3.47Å; V148-L156 HydrophobicContact CG1-CD2 3.8Å; V148-L156 HydrophobicContact CG1-CG 3.39Å; L149-L156 CarbonylContact O-C 3.29Å; L149-L156 WeakPolarHBondContact O-CA 3.44Å; I150-L156 HydrophobicContact CD1-CB 4.23Å; I150-L156 HydrophobicContact CD1-CG 4.43Å; E154-L156 PolarHBondContact O-N 2.76Å; L156-I158 HydrophobicContact CD2-CG1 4.02Å
157K97.8Very high93.4Very high19 Ų1925.2 Ų25.28%0.08315%0.15CC..EExtended strand (participates in β ladder)trans-128.3111.1179.3-63-70.9-173.5158.90110.3R76 I79 E96 L149 A151 S159R76-K157 VanDerWaalsContact O-CD 3.27Å; R76-K157 WeakPolarHBondContact O-CD 3.45Å; R76-K157 WeakPolarHBondContact O-CE 3.08Å; R76-K157 PolarHBondContact O-NZ 2.86Å; R76-K157 VanDerWaalsContact O-NZ 3.12Å; I79-K157 HydrophobicContact CD1-CB 4.05Å; I79-K157 HydrophobicContact CD1-CG 4.36Å; E96-K157 WeakPolarHBondContact OE1-CD 3.28Å; E96-K157 WeakPolarHBondContact OE1-CE 3.07Å; E96-K157 IonicContact OE1-NZ 3.79Å; E96-K157 PolarHBondContact OE1-NZ 2.92Å; E96-K157 IonicContact OE2-NZ 2.66Å; E96-K157 PolarHBondContact OE2-NZ 3.07Å; L149-K157 HydrophobicContact CB-CB 4.3Å; L149-K157 PolarHBondContact N-O 3.05Å; L149-K157 PolarHBondContact O-N 3.04Å; A151-K157 HydrophobicContact CB-CG 3.99Å; K157-S159 PolarHBondContact O-N 2.9Å
158I98.3Very high93.6Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-67.7130.4170.4-60.2168000108.8N77 I79 L126 V130 I133 H140 L143 L156 F161N77-I158 WeakPolarHBondContact O-CG1 3.42Å; N77-I158 PolarHBondContact O-N 3.03Å; I79-I158 WeakPolarHBondContact CB-O 3.17Å; I79-I158 WeakPolarHBondContact CG2-O 2.94Å; I79-I158 PolarHBondContact N-O 3.1Å; L126-I158 HydrophobicContact CD1-CD1 4.07Å; L126-I158 HydrophobicContact CD1-CG1 4.03Å; V130-I158 HydrophobicContact CG2-CD1 3.66Å; I133-I158 HydrophobicContact CD1-CB 4.3Å; I133-I158 HydrophobicContact CD1-CD1 3.73Å; I133-I158 HydrophobicContact CD1-CG2 3.94Å; H140-I158 VanDerWaalsContact CD2-CG2 3.44Å; H140-I158 WeakPolarHBondContact CD2-CG2 3.32Å; L143-I158 HydrophobicContact CD2-CG2 3.83Å; L156-I158 HydrophobicContact CD2-CG1 4.02Å; I158-F161 HydrophobicContact CG2-CE2 4.31Å; I158-F161 HydrophobicContact CG2-CZ 4.05Å
159S94.7Very high93.5Very high8 Ų831 Ų316%0.05618%0.177CC..  trans-136.3176.7-173.876.80000111.7H140 N147 K157H140-S159 PolarHBondContact NE2-O 3.48Å; N147-S159 CarbonylContact O-C 3.57Å; N147-S159 WeakPolarHBondContact O-CA 3.25Å; N147-S159 PolarHBondContact O-N 2.66Å; N147-S159 PolarHBondContact O-OG 3.36Å; K157-S159 PolarHBondContact O-N 2.9Å
160D90Very high93.3Very high17 Ų1741.6 Ų41.69%0.09122%0.223CC..  trans5975.3-179.3-170.230000115.3K49 H140 N147 G162 F353K49-D160 IonicContact NZ-OD1 2.73Å; K49-D160 PolarHBondContact NZ-OD1 3.3Å; H140-D160 PolarHBondContact CE1-O 3.15Å; H140-D160 PolarHBondContact NE2-O 2.82Å; N147-D160 HydrophobicContact CB-CB 4.34Å; N147-D160 PolarHBondContact ND2-OD2 3.09Å; N147-D160 PolarHBondContact OD1-OD2 2.91Å; D160-G162 PolarHBondContact O-N 3.4Å; D160-F353 HydrophobicContact CB-CD2 4.01Å; D160-F353 HydrophobicContact CB-CE2 4.45Å; D160-F353 VanDerWaalsContact CG-CD2 3.4Å; D160-F353 WeakPolarHBondContact OD1-CE2 3.39Å; D160-F353 VanDerWaalsContact OD2-CD2 3.23Å; D160-F353 WeakPolarHBondContact OD2-CD2 3.28Å; D160-F353 WeakPolarHBondContact OD2-CE2 3.39Å
161F93.1Very high93.3Very high1 Ų151.8 Ų51.80%0.00426%0.261CS..G310 helixtrans-87.120.3179.1-73.1-101.5000112.7E66 V69 L70 L73 V78 I79 I133 I158 M163 A164E66-F161 HydrophobicContact CG-CB 4.13Å; V69-F161 HydrophobicContact CG1-CB 4.22Å; V69-F161 HydrophobicContact CG1-CD1 3.66Å; V69-F161 HydrophobicContact CG1-CE1 4.43Å; V69-F161 HydrophobicContact CG1-CG 4.21Å; L70-F161 HydrophobicContact CD1-CB 4.22Å; L70-F161 HydrophobicContact CD1-CD2 4.08Å; L70-F161 HydrophobicContact CD1-CG 4.46Å; L70-F161 HydrophobicContact CD2-CD2 3.32Å; L70-F161 HydrophobicContact CD2-CE2 3.53Å; L70-F161 HydrophobicContact CD2-CG 3.98Å; L70-F161 HydrophobicContact CD2-CZ 4.35Å; L70-F161 HydrophobicContact CG-CB 4.03Å; L70-F161 HydrophobicContact CG-CD2 3.71Å; L70-F161 HydrophobicContact CG-CE2 4.39Å; L70-F161 HydrophobicContact CG-CG 3.94Å; L73-F161 HydrophobicContact CD1-CD1 3.85Å; L73-F161 HydrophobicContact CD1-CE1 3.28Å; L73-F161 HydrophobicContact CD1-CE2 4.47Å; L73-F161 HydrophobicContact CD1-CZ 3.65Å; V78-F161 HydrophobicContact CG1-CE2 3.92Å; V78-F161 HydrophobicContact CG1-CZ 3.62Å; I79-F161 HydrophobicContact CG2-CE2 4.28Å; I133-F161 HydrophobicContact CD1-CE1 3.89Å; I133-F161 HydrophobicContact CD1-CZ 3.75Å; I133-F161 HydrophobicContact CG1-CE1 4.21Å; I133-F161 HydrophobicContact CG1-CZ 4.3Å; I133-F161 HydrophobicContact CG2-CE1 4.45Å; I158-F161 HydrophobicContact CG2-CE2 4.31Å; I158-F161 HydrophobicContact CG2-CZ 4.05Å; F161-M163 PolarHBondContact O-N 2.83Å; F161-A164 HydrophobicContact CB-CB 3.81Å; F161-A164 HydrophobicContact CD1-CB 3.62Å; F161-A164 HydrophobicContact CG-CB 4.18Å; F161-A164 VanDerWaalsContact O-CB 3.3Å; F161-A164 WeakPolarHBondContact O-CB 3.24Å; F161-A164 PolarHBondContact O-N 2.98Å
162G89.5Confident93.3Very high14 Ų1453.3 Ų53.314%0.14428%0.278CS..G310 helixtrans-59.6-32.1-17800000113.4E66 D160E66-G162 WeakPolarHBondContact OE2-CA 3.45Å; D160-G162 PolarHBondContact O-N 3.4Å
163M91.1Very high93.6Very high57 Ų5750.3 Ų50.328%0.28127%0.266SS..G310 helixtrans-95.4-4.4175.8-63.1-64.896.400113.5F31 H140 R141 D142 F161 C181F31-M163 HydrophobicContact CE2-CE 4.42Å; H140-M163 CarbonylContact O-C 3.51Å; R141-M163 VanDerWaalsContact CZ-O 3.23Å; R141-M163 PolarHBondContact NE-O 2.99Å; R141-M163 PolarHBondContact NH2-O 3.39Å; D142-M163 HydrophobicContact CB-CB 4.24Å; D142-M163 HydrophobicContact CB-CG 4.19Å; F161-M163 PolarHBondContact O-N 2.83Å; M163-C181 HydrophobicContact SD-CB 4.06Å
164A94.2Very high93.9Very high3 Ų351.7 Ų51.73%0.02526%0.257CS..  trans-68.2149.3-173.800000112.2V69 I138 T139 H140 F161V69-A164 HydrophobicContact CG1-CB 4.16Å; I138-A164 HydrophobicContact CG2-CB 4.24Å; T139-A164 WeakPolarHBondContact O-CA 3.19Å; T139-A164 WeakPolarHBondContact O-CB 3.41Å; H140-A164 PolarHBondContact O-N 3.07Å; F161-A164 HydrophobicContact CB-CB 3.81Å; F161-A164 HydrophobicContact CD1-CB 3.62Å; F161-A164 HydrophobicContact CG-CB 4.18Å; F161-A164 VanDerWaalsContact O-CB 3.3Å; F161-A164 WeakPolarHBondContact O-CB 3.24Å; F161-A164 PolarHBondContact O-N 2.98Å
165T93.6Very high94Very high20 Ų2054.7 Ų54.712%0.12327%0.266CS..EExtended strand (participates in β ladder)trans-150.8157.5177.7-160.20000112.2I138 T139 R175 L177I138-T165 WeakPolarHBondContact CA-O 3.11Å; T139-T165 HydrophobicContact CG2-CG2 3.8Å; T139-T165 PolarHBondContact N-O 3.17Å; T139-T165 PolarHBondContact O-N 2.88Å; T139-T165 VanDerWaalsContact O-N 3.08Å; T165-R175 PolarHBondContact OG1-NH2 3.06Å; T165-L177 HydrophobicContact CG2-CD1 3.95Å; T165-L177 HydrophobicContact CG2-CD2 3.88Å
166V94.7Very high94Very high70 Ų7057 Ų5742%0.42428%0.276SS..EExtended strand (participates in β ladder)trans-80.4120.1174.4-179.80000108.3G137 I138 R168 R175G137-V166 CarbonylContact O-C 3.48Å; G137-V166 VanDerWaalsContact O-CA 3.29Å; G137-V166 WeakPolarHBondContact O-CA 3.38Å; I138-V166 HydrophobicContact CG1-CG2 4.24Å; V166-R168 VanDerWaalsContact CG1-O 3.28Å; V166-R168 WeakPolarHBondContact CG1-O 3.47Å; V166-R175 VanDerWaalsContact O-CZ 3.24Å; V166-R175 PolarHBondContact O-NE 3.09Å; V166-R175 PolarHBondContact O-NH2 2.82Å
167F95.9Very high93.9Very high3 Ų357.1 Ų57.11%0.01328%0.276CS..  trans-104.7-22.1174.576.6-89.8000112.5G137 I138 T139 E174 R175 L177 A198 Q199G137-F167 VanDerWaalsContact C-CD1 3.42Å; G137-F167 WeakPolarHBondContact O-CD1 3.4Å; G137-F167 PolarHBondContact O-N 3.35Å; I138-F167 WeakPolarHBondContact O-CE1 3.43Å; T139-F167 HydrophobicContact CG2-CB 4.46Å; T139-F167 HydrophobicContact CG2-CD1 4.23Å; F167-E174 HydrophobicContact CD2-CG 4.47Å; F167-E174 HydrophobicContact CE2-CG 4.43Å; F167-E174 CarbonylContact O-C 3.57Å; F167-E174 WeakPolarHBondContact O-CA 3.42Å; F167-R175 PolarHBondContact O-N 3Å; F167-L177 HydrophobicContact CB-CD1 4.43Å; F167-L177 HydrophobicContact CB-CD2 4.41Å; F167-A198 HydrophobicContact CB-CB 3.41Å; F167-A198 VanDerWaalsContact CB-CB 3.41Å; F167-A198 HydrophobicContact CD1-CB 3.63Å; F167-A198 HydrophobicContact CD2-CB 3.76Å; F167-A198 HydrophobicContact CE1-CB 4.32Å; F167-A198 HydrophobicContact CE2-CB 4.42Å; F167-A198 HydrophobicContact CG-CB 3.31Å; F167-Q199 HydrophobicContact CE1-CG 4.16Å; F167-Q199 HydrophobicContact CE2-CG 3.9Å; F167-Q199 HydrophobicContact CZ-CG 3.5Å; F167-Q199 VanDerWaalsContact CZ-CG 3.5Å
168R96.1Very high93.8Very high50 Ų5062.7 Ų62.719%0.18930%0.303CS..BIsolated β-bridgetrans-126.8127.3177.8-173.3167.559.1-123.9-0.3110.4H134 G137 V166 I173 E174 Q199H134-R168 PolarHBondContact O-NH2 3.28Å; G137-R168 PolarHBondContact O-N 2.75Å; V166-R168 VanDerWaalsContact CG1-O 3.28Å; V166-R168 WeakPolarHBondContact CG1-O 3.47Å; R168-I173 WeakPolarHBondContact CA-O 3.44Å; R168-E174 HydrophobicContact CB-CG 4.09Å; R168-E174 HydrophobicContact CG-CG 3.89Å; R168-E174 IonicContact CZ-OE1 3.24Å; R168-E174 IonicContact NH1-OE1 3.19Å; R168-E174 PolarHBondContact NH1-OE1 3.19Å; R168-Q199 VanDerWaalsContact NH1-OE1 3.1Å
169N92.2Very high93.5Very high72 Ų7264.1 Ų64.139%0.38531%0.311SS..  trans-82.4174.9178.772.821.2000111.8R171 G172 I173N169-R171 PolarHBondContact O-N 2.86Å; N169-R171 VanDerWaalsContact O-N 3.11Å; N169-R171 WeakPolarHBondContact OD1-CA 3.48Å; N169-R171 WeakPolarHBondContact OD1-CB 3.33Å; N169-R171 PolarHBondContact OD1-N 3.32Å; N169-G172 PolarHBondContact O-N 3.28Å; N169-G172 PolarHBondContact OD1-N 3.09Å; N169-I173 PolarHBondContact N-O 3.31Å; N169-I173 PolarHBondContact OD1-N 3.37Å; N169-I173 VanDerWaalsContact OD1-N 3.09Å
170K89.7Confident93.3Very high224 Ų22469 Ų6997%0.97433%0.329SS*.THydrogen-bonded Turntrans-62.3-17.8179.5-65.1-174.7179.4-178.30114.5G172K170-G172 VanDerWaalsContact C-N 3.27Å
171R92.4Very high93.3Very high213 Ų21369.3 Ų69.380%0.80433%0.331SS*.THydrogen-bonded Turntrans-86.61.9175.4-57178.770.7-175.52.3112.2N169 I173N169-R171 PolarHBondContact O-N 2.86Å; N169-R171 VanDerWaalsContact O-N 3.11Å; N169-R171 WeakPolarHBondContact OD1-CA 3.48Å; N169-R171 WeakPolarHBondContact OD1-CB 3.33Å; N169-R171 PolarHBondContact OD1-N 3.32Å; R171-I173 VanDerWaalsContact C-N 3.26Å; R171-I173 HydrophobicContact CB-CD1 4.3Å; R171-I173 HydrophobicContact CB-CG1 4.23Å; R171-I173 PolarHBondContact O-N 3.09Å
172G91.4Very high93Very high44 Ų4470.7 Ų70.745%0.45435%0.346SS..  trans79.33.5-176.900000114.2N169 K170 E174N169-G172 PolarHBondContact O-N 3.28Å; N169-G172 PolarHBondContact OD1-N 3.09Å; K170-G172 VanDerWaalsContact C-N 3.27Å; G172-E174 PolarHBondContact O-N 2.81Å
173I94.4Very high93Very high96 Ų9671.5 Ų71.549%0.49235%0.348SS..  trans-77.1121-179.9-55.2172.1000108.5R168 N169 R171R168-I173 WeakPolarHBondContact CA-O 3.44Å; N169-I173 PolarHBondContact N-O 3.31Å; N169-I173 PolarHBondContact OD1-N 3.37Å; N169-I173 VanDerWaalsContact OD1-N 3.09Å; R171-I173 VanDerWaalsContact C-N 3.26Å; R171-I173 HydrophobicContact CB-CD1 4.3Å; R171-I173 HydrophobicContact CB-CG1 4.23Å; R171-I173 PolarHBondContact O-N 3.09Å
174E95.6Very high92.9Very high87 Ų8772.3 Ų72.341%0.40735%0.353SS..BIsolated β-bridgetrans-88.1145.2175.6-59-162.716600111.4F167 R168 G172F167-E174 HydrophobicContact CD2-CG 4.47Å; F167-E174 HydrophobicContact CE2-CG 4.43Å; F167-E174 CarbonylContact O-C 3.57Å; F167-E174 WeakPolarHBondContact O-CA 3.42Å; R168-E174 HydrophobicContact CB-CG 4.09Å; R168-E174 HydrophobicContact CG-CG 3.89Å; R168-E174 IonicContact CZ-OE1 3.24Å; R168-E174 IonicContact NH1-OE1 3.19Å; R168-E174 PolarHBondContact NH1-OE1 3.19Å; G172-E174 PolarHBondContact O-N 2.81Å
175R95.8Very high92.9Very high122 Ų12272.4 Ų72.446%0.4635%0.354SS..  trans-116.7148.2169.872.1-177.3-179.2104.30.9110.3T165 V166 F167 L177T165-R175 PolarHBondContact OG1-NH2 3.06Å; V166-R175 VanDerWaalsContact O-CZ 3.24Å; V166-R175 PolarHBondContact O-NE 3.09Å; V166-R175 PolarHBondContact O-NH2 2.82Å; F167-R175 PolarHBondContact O-N 3Å; R175-L177 HydrophobicContact CG-CD2 4.31Å; R175-L177 VanDerWaalsContact CZ-CD2 3.44Å
176M96.4Very high93Very high77 Ų7771.7 Ų71.738%0.37935%0.349SS..  trans-70.8150.6165.9-63.9-64.7-85.600110.1P195 H197M176-P195 HydrophobicContact CB-CB 4.15Å; M176-P195 HydrophobicContact CE-CB 4.29Å; M176-P195 WeakPolarHBondContact CE-O 3.24Å; M176-H197 PolarHBondContact SD-CE1 3.02Å
177L95.7Very high93Very high2 Ų268.6 Ų68.61%0.0133%0.331CS..BIsolated β-bridgetrans-109.1140.1176.2-57.6-178.4000109.3T139 T165 F167 R175 P195 Y196 A198T139-L177 HydrophobicContact CG2-CD1 3.67Å; T165-L177 HydrophobicContact CG2-CD1 3.95Å; T165-L177 HydrophobicContact CG2-CD2 3.88Å; F167-L177 HydrophobicContact CB-CD1 4.43Å; F167-L177 HydrophobicContact CB-CD2 4.41Å; R175-L177 HydrophobicContact CG-CD2 4.31Å; R175-L177 VanDerWaalsContact CZ-CD2 3.44Å; L177-P195 CarbonylContact O-C 3.58Å; L177-P195 VanDerWaalsContact O-CA 3.23Å; L177-P195 WeakPolarHBondContact O-CA 3.38Å; L177-Y196 HydrophobicContact CB-CD2 4.04Å; L177-Y196 HydrophobicContact CB-CE1 4.16Å; L177-Y196 HydrophobicContact CB-CE2 3.56Å; L177-Y196 HydrophobicContact CD1-CE2 3.84Å; L177-Y196 HydrophobicContact CG-CE2 4.27Å; L177-Y196 PolarHBondContact N-O 2.94Å; L177-Y196 VanDerWaalsContact O-CD1 3.24Å; L177-Y196 WeakPolarHBondContact O-CD1 3.43Å; L177-Y196 WeakPolarHBondContact O-CE1 3.21Å; L177-Y196 PolarHBondContact O-N 2.78Å; L177-A198 HydrophobicContact CD1-CB 3.7Å; L177-A198 HydrophobicContact CG-CB 4.43Å
178E94.5Very high93.1Very high137 Ų13768.5 Ų68.564%0.6433%0.33SS*.  trans-117.7-21.4-175.7-59.8178.8-172.700112.7R180 P195E178-R180 PolarHBondContact O-N 2.76Å; E178-P195 HydrophobicContact CG-CB 4.18Å; E178-P195 HydrophobicContact CG-CG 4.14Å
179T92.1Very high93.1Very high30 Ų3066.3 Ų66.318%0.18432%0.322CS..  trans-67.1122-178.5-50.10000110.2C181 Y196 S319T179-C181 HydrophobicContact CG2-CB 4.47Å; T179-C181 PolarHBondContact O-N 3.29Å; T179-Y196 WeakPolarHBondContact O-CE1 3.27Å; T179-Y196 PolarHBondContact O-OH 3.16Å; T179-S319 VanDerWaalsContact CG2-O 3.3Å; T179-S319 WeakPolarHBondContact CG2-O 3.41Å
180R91.2Very high93.3Very high111 Ų11163.5 Ų63.542%0.41931%0.307SS..  trans-81.2108.3173.4-54.4-171175.9169.1-4.7108.9E178 V191 L192E178-R180 PolarHBondContact O-N 2.76Å; R180-V191 WeakPolarHBondContact CG-O 3.41Å; R180-L192 PolarHBondContact NH2-O 2.97Å; R180-L192 VanDerWaalsContact NH2-O 3.16Å
181C88.8Confident93.7Very high22 Ų2252.9 Ų52.915%0.14926%0.261CS..  trans-148.5168.8-179.963.70000110.8R141 M163 T179 V187R141-C181 PolarHBondContact NH1-SG 3Å; R141-C181 VanDerWaalsContact NH1-SG 3.42Å; M163-C181 HydrophobicContact SD-CB 4.06Å; T179-C181 HydrophobicContact CG2-CB 4.47Å; T179-C181 PolarHBondContact O-N 3.29Å; C181-V187 WeakPolarHBondContact O-CG2 3.37Å
182G88.2Confident93.8Very high31 Ų3144.6 Ų44.632%0.3223%0.232SC..SBendtrans112.6170.8-177.300000112R141 D142R141-G182 VanDerWaalsContact O-CA 3.29Å; R141-G182 WeakPolarHBondContact O-CA 3.47Å; D142-G182 WeakPolarHBondContact OD1-CA 3.39Å
183T88Confident93.9Very high30 Ų3046.9 Ų46.918%0.18423%0.234CC..  trans-89.7122.9-179.7-55.20000109.7D142 K144 P185 Y186 V187D142-T183 WeakPolarHBondContact OD1-CB 3.26Å; D142-T183 PolarHBondContact OD1-N 3.22Å; D142-T183 PolarHBondContact OD1-OG1 3.49Å; K144-T183 HydrophobicContact CD-CG2 4.18Å; K144-T183 WeakPolarHBondContact CD-OG1 3.47Å; K144-T183 PolarHBondContact NZ-OG1 3.29Å; T183-P185 VanDerWaalsContact C-CD 3.48Å; T183-P185 VanDerWaalsContact O-N 3.12Å; T183-Y186 HydrophobicContact CG2-CD2 4.05Å; T183-Y186 HydrophobicContact CG2-CE2 4.48Å; T183-Y186 WeakPolarHBondContact O-CA 3.5Å; T183-Y186 PolarHBondContact O-N 3.47Å; T183-V187 PolarHBondContact O-N 2.94Å
184L91.1Very high93.8Very high74 Ų7443.3 Ų43.339%0.38722%0.221SC..THydrogen-bonded Turntrans-46.1-45.9-163.9-78175.8000116.6Y186 V187 P223L184-Y186 PolarHBondContact O-N 3Å; L184-V187 WeakPolarHBondContact O-CG1 3.49Å; L184-V187 PolarHBondContact O-N 3.28Å; L184-P223 WeakPolarHBondContact O-CD 3.37Å
185P92.3Very high93.9Very high6 Ų643.1 Ų43.14%0.03923%0.227CC..THydrogen-bonded Turntrans-65.8-28.5179.7-19.731.6000113.7T183 L218 W220 D221T183-P185 VanDerWaalsContact C-CD 3.48Å; T183-P185 VanDerWaalsContact O-N 3.12Å; P185-L218 HydrophobicContact CB-CD1 3.64Å; P185-L218 HydrophobicContact CG-CD1 3.81Å; P185-W220 PolarHBondContact O-NE1 3.3Å; P185-W220 VanDerWaalsContact O-NE1 3.09Å; P185-D221 WeakPolarHBondContact CG-O 3.32Å
186Y95.5Very high93.9Very high4 Ų437.5 Ų37.52%0.01621%0.206CC..THydrogen-bonded Turntrans-94.3-17-175.4-59.3-88.6000112.6K144 P145 T183 L184 W204 S205 V208 V209 L218K144-Y186 HydrophobicContact CB-CD1 4.03Å; K144-Y186 HydrophobicContact CB-CD2 3.85Å; K144-Y186 HydrophobicContact CB-CE1 4.02Å; K144-Y186 HydrophobicContact CB-CE2 3.81Å; K144-Y186 HydrophobicContact CB-CG 3.97Å; P145-Y186 VanDerWaalsContact CD-CE1 3.49Å; P145-Y186 VanDerWaalsContact CD-CZ 3.45Å; P145-Y186 WeakPolarHBondContact CD-OH 3.4Å; P145-Y186 HydrophobicContact CG-CE1 4.33Å; T183-Y186 HydrophobicContact CG2-CD2 4.05Å; T183-Y186 HydrophobicContact CG2-CE2 4.48Å; T183-Y186 WeakPolarHBondContact O-CA 3.5Å; T183-Y186 PolarHBondContact O-N 3.47Å; L184-Y186 PolarHBondContact O-N 3Å; Y186-W204 VanDerWaalsContact O-CD1 3.25Å; Y186-S205 WeakPolarHBondContact O-CA 3.44Å; Y186-S205 PolarHBondContact O-OG 2.81Å; Y186-S205 VanDerWaalsContact O-OG 3.05Å; Y186-V208 HydrophobicContact CD1-CB 3.73Å; Y186-V208 HydrophobicContact CD1-CG1 3.41Å; Y186-V208 VanDerWaalsContact CD1-CG1 3.41Å; Y186-V208 HydrophobicContact CE1-CB 4.24Å; Y186-V208 HydrophobicContact CE1-CG1 3.59Å; Y186-V208 HydrophobicContact CG-CG1 4.07Å; Y186-V209 HydrophobicContact CD1-CG2 4.12Å; Y186-V209 HydrophobicContact CE1-CG2 4.05Å; Y186-L218 HydrophobicContact CE1-CD2 4.22Å; Y186-L218 HydrophobicContact CE2-CD2 4.43Å; Y186-L218 WeakPolarHBondContact OH-CD2 3.4Å
187V95.7Very high94Very high6 Ų637.5 Ų37.54%0.03621%0.205CC..SBendtrans-69.1143.6-178.6850000110.3C181 T183 L184 V191 L192 W204 P223C181-V187 WeakPolarHBondContact O-CG2 3.37Å; T183-V187 PolarHBondContact O-N 2.94Å; L184-V187 WeakPolarHBondContact O-CG1 3.49Å; L184-V187 PolarHBondContact O-N 3.28Å; V187-V191 HydrophobicContact CG2-CB 3.74Å; V187-V191 HydrophobicContact CG2-CG1 3.73Å; V187-V191 HydrophobicContact CG2-CG2 3.92Å; V187-L192 HydrophobicContact CG1-CD2 4.36Å; V187-L192 HydrophobicContact CG1-CG 4.44Å; V187-W204 PolarHBondContact O-NE1 3.26Å; V187-P223 HydrophobicContact CG1-CG 3.61Å; V187-P223 WeakPolarHBondContact O-CG 3.38Å
188A97.5Very high94Very high0 Ų037.6 Ų37.60%021%0.205CC..  trans-75.7146.2174.300000110.8E190 V191 V201 W204A188-E190 VanDerWaalsContact C-N 3.28Å; A188-E190 VanDerWaalsContact CB-CD 3.49Å; A188-E190 WeakPolarHBondContact CB-OE1 3.36Å; A188-E190 WeakPolarHBondContact CB-OE2 3.41Å; A188-E190 PolarHBondContact O-N 3.3Å; A188-V191 HydrophobicContact CB-CG2 4.27Å; A188-V191 WeakPolarHBondContact O-CB 3.39Å; A188-V191 PolarHBondContact O-N 3.02Å; A188-V191 VanDerWaalsContact O-N 3.17Å; A188-V201 HydrophobicContact CB-CB 4.23Å; A188-V201 HydrophobicContact CB-CG1 4.09Å; A188-V201 HydrophobicContact CB-CG2 4.05Å; A188-W204 VanDerWaalsContact CA-CD1 3.49Å; A188-W204 HydrophobicContact CB-CB 3.74Å; A188-W204 HydrophobicContact CB-CD2 4.16Å; A188-W204 HydrophobicContact CB-CG 3.65Å
189P97.1Very high94.2Very high5 Ų533.4 Ų33.43%0.03219%0.186CC..Hα-helixtrans-58.9-38.4-17621.8-32.5000112.7V191 L192 W204 P223 F230 W303P189-V191 PolarHBondContact O-N 3.28Å; P189-L192 WeakPolarHBondContact O-CB 3.3Å; P189-L192 PolarHBondContact O-N 2.86Å; P189-W204 HydrophobicContact CG-CH2 4.11Å; P189-W204 HydrophobicContact CG-CZ2 4.39Å; P189-W204 HydrophobicContact CG-CZ3 4.21Å; P189-P223 HydrophobicContact CB-CB 4.12Å; P189-F230 HydrophobicContact CB-CE2 4.42Å; P189-F230 HydrophobicContact CB-CZ 3.86Å; P189-F230 HydrophobicContact CG-CE2 4.45Å; P189-F230 HydrophobicContact CG-CZ 4.17Å; P189-W303 HydrophobicContact CB-CZ3 4.24Å; P189-W303 HydrophobicContact CG-CZ3 4.25Å
190E96.9Very high94.5Very high12 Ų1233.1 Ų33.16%0.05619%0.185CC..Hα-helixtrans-63-24.3-178.367.6-85.6-164.200113.8A188 L192 L193 G194 V201 P263 R266A188-E190 VanDerWaalsContact C-N 3.28Å; A188-E190 VanDerWaalsContact CB-CD 3.49Å; A188-E190 WeakPolarHBondContact CB-OE1 3.36Å; A188-E190 WeakPolarHBondContact CB-OE2 3.41Å; A188-E190 PolarHBondContact O-N 3.3Å; E190-L192 PolarHBondContact O-N 3.45Å; E190-L193 PolarHBondContact O-N 3.47Å; E190-L193 VanDerWaalsContact O-N 3.12Å; E190-G194 PolarHBondContact O-N 3.23Å; E190-V201 HydrophobicContact CG-CG2 4.38Å; E190-P263 HydrophobicContact CB-CG 4.27Å; E190-P263 HydrophobicContact CG-CB 4.29Å; E190-P263 HydrophobicContact CG-CG 4.16Å; E190-R266 IonicContact OE1-CZ 2.66Å; E190-R266 IonicContact OE1-NH1 2.76Å; E190-R266 PolarHBondContact OE1-NH1 2.87Å; E190-R266 IonicContact OE1-NH2 3.01Å; E190-R266 PolarHBondContact OE1-NH2 3.19Å; E190-R266 IonicContact OE2-CZ 3.29Å; E190-R266 IonicContact OE2-NH1 3.81Å; E190-R266 IonicContact OE2-NH2 3.55Å; E190-R266 PolarHBondContact OE2-NH2 2.96Å
191V96.6Very high94.8Very high1 Ų128 Ų281%0.00617%0.166CC..Hα-helixtrans-62.3-30.5174.9177.80000111.2R180 V187 A188 P189 Y196 V201R180-V191 WeakPolarHBondContact CG-O 3.41Å; V187-V191 HydrophobicContact CG2-CB 3.74Å; V187-V191 HydrophobicContact CG2-CG1 3.73Å; V187-V191 HydrophobicContact CG2-CG2 3.92Å; A188-V191 HydrophobicContact CB-CG2 4.27Å; A188-V191 WeakPolarHBondContact O-CB 3.39Å; A188-V191 PolarHBondContact O-N 3.02Å; A188-V191 VanDerWaalsContact O-N 3.17Å; P189-V191 PolarHBondContact O-N 3.28Å; V191-Y196 HydrophobicContact CB-CD1 4.28Å; V191-Y196 HydrophobicContact CB-CE1 4.22Å; V191-Y196 HydrophobicContact CG1-CD1 4.39Å; V191-Y196 HydrophobicContact CG1-CE1 3.85Å; V191-Y196 HydrophobicContact CG2-CD1 4.13Å; V191-Y196 HydrophobicContact CG2-CD2 4.2Å; V191-Y196 HydrophobicContact CG2-CE1 4.11Å; V191-Y196 HydrophobicContact CG2-CE2 4.15Å; V191-Y196 HydrophobicContact CG2-CG 4.18Å; V191-V201 HydrophobicContact CG2-CB 4.27Å; V191-V201 HydrophobicContact CG2-CG1 3.62Å; V191-V201 HydrophobicContact CG2-CG2 3.55Å
192L95Very high95.3Very high39 Ų3927 Ų2720%0.20416%0.159CC..Hα-helixtrans-83-18.9179.9-54.7-177.5000112.5R180 V187 P189 E190 P223 T224R180-L192 PolarHBondContact NH2-O 2.97Å; R180-L192 VanDerWaalsContact NH2-O 3.16Å; V187-L192 HydrophobicContact CG1-CD2 4.36Å; V187-L192 HydrophobicContact CG1-CG 4.44Å; P189-L192 WeakPolarHBondContact O-CB 3.3Å; P189-L192 PolarHBondContact O-N 2.86Å; E190-L192 PolarHBondContact O-N 3.45Å; L192-P223 HydrophobicContact CD1-CG 3.85Å; L192-T224 HydrophobicContact CD1-CG2 3.62Å
193L93.8Very high95.8Very high93 Ų9325.8 Ų25.849%0.48715%0.145SC..Hα-helixtrans-89.6-37.4-172.6-60.9179000112.8E190 W303E190-L193 PolarHBondContact O-N 3.47Å; E190-L193 VanDerWaalsContact O-N 3.12Å; L193-W303 HydrophobicContact CD1-CH2 3.31Å; L193-W303 HydrophobicContact CD1-CZ2 3.54Å; L193-W303 HydrophobicContact CD1-CZ3 4.24Å
194G92.4Very high96.3Very high21 Ų2124.4 Ų24.422%0.21614%0.136CC..SBendtrans169.7-155.2-175.200000113.2E190 Y196E190-G194 PolarHBondContact O-N 3.23Å; G194-Y196 WeakPolarHBondContact O-CD1 3.21Å
195P96.3Very high96.7Very high82 Ų8221 Ų2153%0.53212%0.119SC..SBendtrans-58.7137.5173.6-21.131.9000111.8M176 L177 E178M176-P195 HydrophobicContact CB-CB 4.15Å; M176-P195 HydrophobicContact CE-CB 4.29Å; M176-P195 WeakPolarHBondContact CE-O 3.24Å; L177-P195 CarbonylContact O-C 3.58Å; L177-P195 VanDerWaalsContact O-CA 3.23Å; L177-P195 WeakPolarHBondContact O-CA 3.38Å; E178-P195 HydrophobicContact CG-CB 4.18Å; E178-P195 HydrophobicContact CG-CG 4.14Å
196Y97.4Very high97Very high5 Ų520.7 Ų20.72%0.0212%0.117CC..BIsolated β-bridgetrans-137157.3-17458.5-92.4000113.1R141 L177 T179 V191 G194 V201R141-Y196 PolarHBondContact NH1-OH 3.09Å; L177-Y196 HydrophobicContact CB-CD2 4.04Å; L177-Y196 HydrophobicContact CB-CE1 4.16Å; L177-Y196 HydrophobicContact CB-CE2 3.56Å; L177-Y196 HydrophobicContact CD1-CE2 3.84Å; L177-Y196 HydrophobicContact CG-CE2 4.27Å; L177-Y196 PolarHBondContact N-O 2.94Å; L177-Y196 VanDerWaalsContact O-CD1 3.24Å; L177-Y196 WeakPolarHBondContact O-CD1 3.43Å; L177-Y196 WeakPolarHBondContact O-CE1 3.21Å; L177-Y196 PolarHBondContact O-N 2.78Å; T179-Y196 WeakPolarHBondContact O-CE1 3.27Å; T179-Y196 PolarHBondContact O-OH 3.16Å; V191-Y196 HydrophobicContact CB-CD1 4.28Å; V191-Y196 HydrophobicContact CB-CE1 4.22Å; V191-Y196 HydrophobicContact CG1-CD1 4.39Å; V191-Y196 HydrophobicContact CG1-CE1 3.85Å; V191-Y196 HydrophobicContact CG2-CD1 4.13Å; V191-Y196 HydrophobicContact CG2-CD2 4.2Å; V191-Y196 HydrophobicContact CG2-CE1 4.11Å; V191-Y196 HydrophobicContact CG2-CE2 4.15Å; V191-Y196 HydrophobicContact CG2-CG 4.18Å; G194-Y196 WeakPolarHBondContact O-CD1 3.21Å; Y196-V201 HydrophobicContact CD2-CG2 3.5Å; Y196-V201 VanDerWaalsContact CD2-CG2 3.5Å; Y196-V201 HydrophobicContact CE2-CG2 3.96Å; Y196-V201 HydrophobicContact CG-CG2 4.23Å
197H97.4Very high97.1Very high77 Ų7720.5 Ų20.536%0.35612%0.116SC..  trans-78.6141.6169.8-72.7-78.2000110.6M176 P200 V201M176-H197 PolarHBondContact SD-CE1 3.02Å; H197-P200 HydrophobicContact CB-CG 4.11Å; H197-V201 WeakPolarHBondContact O-CG2 3.3Å
198A96.9Very high97.2Very high3 Ų320.2 Ų20.23%0.02511%0.114CC..Hα-helixtrans-72.1-47-170.300000114T139 F167 L177 V201T139-A198 HydrophobicContact CG2-CB 3.73Å; F167-A198 HydrophobicContact CB-CB 3.41Å; F167-A198 VanDerWaalsContact CB-CB 3.41Å; F167-A198 HydrophobicContact CD1-CB 3.63Å; F167-A198 HydrophobicContact CD2-CB 3.76Å; F167-A198 HydrophobicContact CE1-CB 4.32Å; F167-A198 HydrophobicContact CE2-CB 4.42Å; F167-A198 HydrophobicContact CG-CB 3.31Å; L177-A198 HydrophobicContact CD1-CB 3.7Å; L177-A198 HydrophobicContact CG-CB 4.43Å; A198-V201 PolarHBondContact O-N 3.31Å
199Q98Very high97.2Very high50 Ų5020.2 Ų20.223%0.23411%0.114CC..Hα-helixtrans-64.7-43.8-172.9-59.7-172.5-12000113.8H134 F167 R168 V201 D202 I203H134-Q199 HydrophobicContact CB-CG 4.23Å; H134-Q199 PolarHBondContact CE1-O 3.31Å; H134-Q199 PolarHBondContact ND1-NE2 3.2Å; F167-Q199 HydrophobicContact CE1-CG 4.16Å; F167-Q199 HydrophobicContact CE2-CG 3.9Å; F167-Q199 HydrophobicContact CZ-CG 3.5Å; F167-Q199 VanDerWaalsContact CZ-CG 3.5Å; R168-Q199 VanDerWaalsContact NH1-OE1 3.1Å; Q199-V201 PolarHBondContact O-N 3.26Å; Q199-D202 PolarHBondContact O-N 3.36Å; Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 2.82Å; Q199-I203 VanDerWaalsContact O-N 3.13Å
200P98.3Very high97.3Very high24 Ų2420 Ų2016%0.15611%0.113CC..Hα-helixtrans-57.7-33.1177.9-27.636.9000113.7H197 I203 W204 P263 R266H197-P200 HydrophobicContact CB-CG 4.11Å; P200-I203 PolarHBondContact O-N 3.24Å; P200-W204 PolarHBondContact O-N 3.19Å; P200-P263 HydrophobicContact CB-CB 3.94Å; P200-P263 HydrophobicContact CG-CB 4.34Å; P200-R266 PolarHBondContact O-NH1 3.14Å
201V98.3Very high97.3Very high4 Ų419.4 Ų19.42%0.02411%0.11CC..Hα-helixtrans-68.1-43.9-178.5175.90000112A188 E190 V191 Y196 H197 A198 Q199 I203 W204 S205A188-V201 HydrophobicContact CB-CB 4.23Å; A188-V201 HydrophobicContact CB-CG1 4.09Å; A188-V201 HydrophobicContact CB-CG2 4.05Å; E190-V201 HydrophobicContact CG-CG2 4.38Å; V191-V201 HydrophobicContact CG2-CB 4.27Å; V191-V201 HydrophobicContact CG2-CG1 3.62Å; V191-V201 HydrophobicContact CG2-CG2 3.55Å; Y196-V201 HydrophobicContact CD2-CG2 3.5Å; Y196-V201 VanDerWaalsContact CD2-CG2 3.5Å; Y196-V201 HydrophobicContact CE2-CG2 3.96Å; Y196-V201 HydrophobicContact CG-CG2 4.23Å; H197-V201 WeakPolarHBondContact O-CG2 3.3Å; A198-V201 PolarHBondContact O-N 3.31Å; Q199-V201 PolarHBondContact O-N 3.26Å; V201-I203 VanDerWaalsContact C-N 3.33Å; V201-W204 PolarHBondContact O-N 2.99Å; V201-S205 PolarHBondContact O-N 3.27Å; V201-S205 VanDerWaalsContact O-N 3.08Å; V201-S205 PolarHBondContact O-OG 3.47Å
202D98.6Very high97.3Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-66.9-37.3175.3-75.1-26.3000110.9V130 H134 T139 H140 R141 L143 Q199 W204 S205 C206V130-D202 HydrophobicContact CG1-CB 4.05Å; H134-D202 IonicContact CD2-OD2 2.74Å; H134-D202 IonicContact CE1-OD2 3.62Å; H134-D202 WeakPolarHBondContact NE2-CB 3.23Å; H134-D202 IonicContact NE2-OD2 3.77Å; H134-D202 PolarHBondContact NE2-OD2 2.88Å; T139-D202 WeakPolarHBondContact CA-OD2 3.39Å; T139-D202 WeakPolarHBondContact CB-OD2 3.36Å; T139-D202 VanDerWaalsContact OG1-CG 3.27Å; T139-D202 PolarHBondContact OG1-OD1 2.84Å; T139-D202 PolarHBondContact OG1-OD2 3.37Å; H140-D202 PolarHBondContact N-OD1 3.29Å; H140-D202 PolarHBondContact N-OD2 2.95Å; R141-D202 PolarHBondContact N-OD1 2.81Å; L143-D202 HydrophobicContact CD1-CB 3.81Å; Q199-D202 PolarHBondContact O-N 3.36Å; D202-W204 PolarHBondContact O-N 2.86Å; D202-S205 WeakPolarHBondContact O-CB 3.31Å; D202-S205 PolarHBondContact O-N 3.2Å; D202-C206 PolarHBondContact O-N 2.79Å; D202-C206 PolarHBondContact O-SG 2.88Å
203I98.8Very high97.3Very high6 Ų617.5 Ų17.53%0.03110%0.1CC..Hα-helixtrans-60.1-46.2175.4-72.5171000111Q199 P200 V201 S205 C206 G207 I258 R266 I267 M269 I272Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 2.82Å; Q199-I203 VanDerWaalsContact O-N 3.13Å; P200-I203 PolarHBondContact O-N 3.24Å; V201-I203 VanDerWaalsContact C-N 3.33Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.72Å; I203-C206 WeakPolarHBondContact O-CB 3.36Å; I203-C206 PolarHBondContact O-N 2.89Å; I203-G207 PolarHBondContact O-N 3.08Å; I203-G207 VanDerWaalsContact O-N 3.08Å; I203-I258 HydrophobicContact CG2-CG1 4.42Å; I203-I258 HydrophobicContact CG2-CG2 3.94Å; I203-I258 WeakPolarHBondContact O-CG2 3.45Å; I203-R266 HydrophobicContact CG2-CG 4.38Å; I203-I267 HydrophobicContact CG2-CG2 4.41Å; I203-M269 HydrophobicContact CD1-CE 4.38Å; I203-M269 HydrophobicContact CG1-CE 3.92Å; I203-I272 HydrophobicContact CD1-CD1 4.31Å; I203-I272 HydrophobicContact CG1-CD1 4.17Å; I203-I272 HydrophobicContact CG2-CD1 3.76Å
204W98.7Very high97.4Very high0 Ų014.1 Ų14.10%08%0.082CC..Hα-helixtrans-57.1-48.4174.5176-81.2000111.7Y186 V187 A188 P189 P200 V201 D202 C206 G207 V208 W220 P223 F230 L259Y186-W204 VanDerWaalsContact O-CD1 3.25Å; V187-W204 PolarHBondContact O-NE1 3.26Å; A188-W204 VanDerWaalsContact CA-CD1 3.49Å; A188-W204 HydrophobicContact CB-CB 3.74Å; A188-W204 HydrophobicContact CB-CD2 4.16Å; A188-W204 HydrophobicContact CB-CG 3.65Å; P189-W204 HydrophobicContact CG-CH2 4.11Å; P189-W204 HydrophobicContact CG-CZ2 4.39Å; P189-W204 HydrophobicContact CG-CZ3 4.21Å; P200-W204 PolarHBondContact O-N 3.19Å; V201-W204 PolarHBondContact O-N 2.99Å; D202-W204 PolarHBondContact O-N 2.86Å; W204-C206 VanDerWaalsContact C-N 3.29Å; W204-C206 PolarHBondContact O-N 2.83Å; W204-G207 WeakPolarHBondContact O-CA 3.07Å; W204-G207 PolarHBondContact O-N 3.06Å; W204-V208 PolarHBondContact O-N 3Å; W204-V208 VanDerWaalsContact O-N 3.08Å; W204-W220 AromaticContact CE2-CZ2 3.82Å; W204-W220 AromaticContact CH2-CH2 3.93Å; W204-W220 HydrophobicContact CH2-CH2 3.93Å; W204-W220 AromaticContact CH2-CZ2 3.8Å; W204-W220 HydrophobicContact CH2-CZ2 3.8Å; W204-W220 AromaticContact CZ2-CE2 3.86Å; W204-W220 AromaticContact CZ2-CH2 3.78Å; W204-W220 HydrophobicContact CZ2-CH2 3.78Å; W204-W220 AromaticContact CZ2-CZ2 3.16Å; W204-W220 HydrophobicContact CZ2-CZ2 3.16Å; W204-P223 HydrophobicContact CZ2-CB 4.35Å; W204-F230 AromaticContact CH2-CE2 3.73Å; W204-F230 HydrophobicContact CH2-CE2 3.73Å; W204-F230 HydrophobicContact CZ2-CD2 4.47Å; W204-F230 AromaticContact CZ2-CE2 3.88Å; W204-F230 HydrophobicContact CZ2-CE2 3.88Å; W204-L259 HydrophobicContact CD2-CD2 3.89Å; W204-L259 HydrophobicContact CE3-CB 4.43Å; W204-L259 HydrophobicContact CE3-CD2 4.04Å; W204-L259 HydrophobicContact CG-CD2 4.3Å; W204-L259 HydrophobicContact CH2-CB 4.46Å; W204-L259 HydrophobicContact CZ2-CD2 4.46Å; W204-L259 VanDerWaalsContact CZ3-C 3.49Å; W204-L259 HydrophobicContact CZ3-CB 4.13Å; W204-L259 HydrophobicContact CZ3-CD2 4.38Å; W204-L259 WeakPolarHBondContact CZ3-O 3.34Å
205S98.6Very high97.5Very high3 Ų313.3 Ų13.32%0.0217%0.073CC..Hα-helixtrans-58.5-42.1179.2-52.70000111.2Y186 V201 D202 I203 G207 V208 V209Y186-S205 WeakPolarHBondContact O-CA 3.44Å; Y186-S205 PolarHBondContact O-OG 2.81Å; Y186-S205 VanDerWaalsContact O-OG 3.05Å; V201-S205 PolarHBondContact O-N 3.27Å; V201-S205 VanDerWaalsContact O-N 3.08Å; V201-S205 PolarHBondContact O-OG 3.47Å; D202-S205 WeakPolarHBondContact O-CB 3.31Å; D202-S205 PolarHBondContact O-N 3.2Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.72Å; S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.19Å; S205-V208 PolarHBondContact O-N 2.82Å; S205-V209 WeakPolarHBondContact O-CG2 3.43Å; S205-V209 PolarHBondContact O-N 3.47Å
206C98.8Very high97.3Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-57.7-41.3172-69.80000112.2F123 L126 I127 D202 I203 W204 V208 V209 L210F123-C206 HydrophobicContact CE2-CB 4.07Å; F123-C206 WeakPolarHBondContact CE2-O 3.44Å; F123-C206 HydrophobicContact CZ-CB 4.42Å; L126-C206 HydrophobicContact CD2-CB 4.24Å; I127-C206 HydrophobicContact CD1-CB 4.33Å; D202-C206 PolarHBondContact O-N 2.79Å; D202-C206 PolarHBondContact O-SG 2.88Å; I203-C206 WeakPolarHBondContact O-CB 3.36Å; I203-C206 PolarHBondContact O-N 2.89Å; W204-C206 VanDerWaalsContact C-N 3.29Å; W204-C206 PolarHBondContact O-N 2.83Å; C206-V208 PolarHBondContact O-N 3.11Å; C206-V209 WeakPolarHBondContact O-CB 3.23Å; C206-V209 PolarHBondContact O-N 2.89Å; C206-L210 WeakPolarHBondContact O-CB 3.36Å; C206-L210 PolarHBondContact O-N 2.82Å
207G98.5Very high97Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-60.1-43.7175.500000112.9I203 W204 S205 L210 V211 L255 I258I203-G207 PolarHBondContact O-N 3.08Å; I203-G207 VanDerWaalsContact O-N 3.08Å; W204-G207 WeakPolarHBondContact O-CA 3.07Å; W204-G207 PolarHBondContact O-N 3.06Å; S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.19Å; G207-L210 WeakPolarHBondContact O-CB 3.43Å; G207-L210 PolarHBondContact O-N 3.25Å; G207-V211 WeakPolarHBondContact O-CG2 3.34Å; G207-V211 PolarHBondContact O-N 2.79Å; G207-L255 WeakPolarHBondContact O-CD2 3.47Å; G207-I258 VanDerWaalsContact CA-CG2 3.49Å
208V97.8Very high96.8Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-65.5-40.8176.3-177.60000111.2Y186 W204 S205 C206 L210 V211 A212 L218 P219 W220 L259Y186-V208 HydrophobicContact CD1-CB 3.73Å; Y186-V208 HydrophobicContact CD1-CG1 3.41Å; Y186-V208 VanDerWaalsContact CD1-CG1 3.41Å; Y186-V208 HydrophobicContact CE1-CB 4.24Å; Y186-V208 HydrophobicContact CE1-CG1 3.59Å; Y186-V208 HydrophobicContact CG-CG1 4.07Å; W204-V208 PolarHBondContact O-N 3Å; W204-V208 VanDerWaalsContact O-N 3.08Å; S205-V208 PolarHBondContact O-N 2.82Å; C206-V208 PolarHBondContact O-N 3.11Å; V208-L210 VanDerWaalsContact C-N 3.29Å; V208-L210 PolarHBondContact O-N 3.46Å; V208-V211 PolarHBondContact O-N 3.4Å; V208-A212 PolarHBondContact O-N 2.95Å; V208-L218 HydrophobicContact CG1-CD2 4.24Å; V208-P219 HydrophobicContact CG1-CG 4.16Å; V208-P219 HydrophobicContact CG2-CG 4.36Å; V208-W220 HydrophobicContact CG2-CZ2 4.16Å; V208-L259 HydrophobicContact CG2-CD2 4.11Å
209V97.9Very high96.6Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-59.1-40.9172.2172.90000111.1L103 L126 P145 Y186 S205 C206 A212 M213L103-V209 HydrophobicContact CD2-CG1 3.84Å; L126-V209 HydrophobicContact CD2-CB 4.25Å; L126-V209 HydrophobicContact CD2-CG1 3.88Å; P145-V209 HydrophobicContact CG-CG1 4.47Å; P145-V209 HydrophobicContact CG-CG2 4.43Å; Y186-V209 HydrophobicContact CD1-CG2 4.12Å; Y186-V209 HydrophobicContact CE1-CG2 4.05Å; S205-V209 WeakPolarHBondContact O-CG2 3.43Å; S205-V209 PolarHBondContact O-N 3.47Å; C206-V209 WeakPolarHBondContact O-CB 3.23Å; C206-V209 PolarHBondContact O-N 2.89Å; V209-A212 WeakPolarHBondContact O-CB 3.46Å; V209-A212 PolarHBondContact O-N 3.08Å; V209-M213 HydrophobicContact CG1-CE 4.28Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.4Å
210L98Very high96.4Very high0 Ų05.7 Ų5.70%03%0.031CC..Hα-helixtrans-64.2-43.8177.4177.655.8000112.5F123 C206 G207 V208 A212 M213 L214 L254 L255 W277F123-L210 HydrophobicContact CB-CD1 4.32Å; F123-L210 HydrophobicContact CD1-CD2 4.39Å; F123-L210 HydrophobicContact CD2-CB 3.79Å; F123-L210 HydrophobicContact CD2-CD1 4.03Å; F123-L210 HydrophobicContact CD2-CD2 4.19Å; F123-L210 HydrophobicContact CD2-CG 4.22Å; F123-L210 HydrophobicContact CE1-CD2 4.14Å; F123-L210 HydrophobicContact CE2-CB 3.64Å; F123-L210 HydrophobicContact CE2-CD2 3.98Å; F123-L210 HydrophobicContact CE2-CG 4.27Å; F123-L210 HydrophobicContact CG-CD1 4.14Å; F123-L210 HydrophobicContact CG-CD2 4.37Å; F123-L210 HydrophobicContact CZ-CB 4.36Å; F123-L210 HydrophobicContact CZ-CD2 3.92Å; C206-L210 WeakPolarHBondContact O-CB 3.36Å; C206-L210 PolarHBondContact O-N 2.82Å; G207-L210 WeakPolarHBondContact O-CB 3.43Å; G207-L210 PolarHBondContact O-N 3.25Å; V208-L210 VanDerWaalsContact C-N 3.29Å; V208-L210 PolarHBondContact O-N 3.46Å; L210-A212 VanDerWaalsContact C-N 3.28Å; L210-A212 PolarHBondContact O-N 3.17Å; L210-M213 HydrophobicContact CB-CE 4.47Å; L210-M213 HydrophobicContact CD1-CE 3.98Å; L210-M213 PolarHBondContact O-N 2.82Å; L210-L214 HydrophobicContact CD1-CD1 3.71Å; L210-L214 HydrophobicContact CD1-CD2 4.46Å; L210-L214 HydrophobicContact CD1-CG 3.84Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.38Å; L210-L214 VanDerWaalsContact O-CG 3.32Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.99Å; L210-L254 HydrophobicContact CD2-CD2 4.38Å; L210-L255 HydrophobicContact CB-CD2 4.1Å; L210-L255 HydrophobicContact CD2-CD2 3.82Å; L210-L255 HydrophobicContact CD2-CG 4.04Å; L210-L255 HydrophobicContact CG-CD2 4.03Å; L210-L255 HydrophobicContact CG-CG 4.44Å; L210-W277 HydrophobicContact CD1-CH2 3.21Å; L210-W277 HydrophobicContact CD1-CZ2 4.14Å; L210-W277 HydrophobicContact CD1-CZ3 3.51Å; L210-W277 HydrophobicContact CD2-CE3 4.18Å; L210-W277 HydrophobicContact CD2-CH2 4.15Å; L210-W277 HydrophobicContact CD2-CZ3 3.59Å; L210-W277 HydrophobicContact CG-CH2 4.32Å; L210-W277 HydrophobicContact CG-CZ3 4.22Å
211V97.3Very high96Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-57.3-46.1173.2176.90000110.1G207 V208 M213 L214 V215 P219 P243 W244 I247 L255 L259G207-V211 WeakPolarHBondContact O-CG2 3.34Å; G207-V211 PolarHBondContact O-N 2.79Å; V208-V211 PolarHBondContact O-N 3.4Å; V211-M213 VanDerWaalsContact C-N 3.34Å; V211-M213 PolarHBondContact O-N 3.03Å; V211-L214 PolarHBondContact O-N 3.23Å; V211-V215 HydrophobicContact CG1-CG2 3.96Å; V211-V215 WeakPolarHBondContact O-CG2 3.32Å; V211-V215 PolarHBondContact O-N 2.94Å; V211-P219 HydrophobicContact CG1-CB 4.29Å; V211-P219 HydrophobicContact CG1-CG 4.43Å; V211-P243 HydrophobicContact CG1-CB 4.05Å; V211-P243 HydrophobicContact CG1-CG 3.67Å; V211-W244 HydrophobicContact CG2-CH2 4.27Å; V211-W244 HydrophobicContact CG2-CZ3 3.82Å; V211-I247 HydrophobicContact CG1-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CD1 4.47Å; V211-L255 HydrophobicContact CG2-CD1 3.87Å; V211-L255 HydrophobicContact CG2-CD2 3.74Å; V211-L255 HydrophobicContact CG2-CG 4.45Å; V211-L259 HydrophobicContact CG2-CD1 4.27Å
212A95.5Very high95.7Very high0 Ų09.3 Ų9.30%05%0.051CC..Hα-helixtrans-59.8-43.4177.900000112I107 P145 V208 V209 L210 G216 Q217 L218I107-A212 HydrophobicContact CD1-CB 3.96Å; I107-A212 WeakPolarHBondContact CG2-O 3.4Å; P145-A212 HydrophobicContact CG-CB 4.34Å; V208-A212 PolarHBondContact O-N 2.95Å; V209-A212 WeakPolarHBondContact O-CB 3.46Å; V209-A212 PolarHBondContact O-N 3.08Å; L210-A212 VanDerWaalsContact C-N 3.28Å; L210-A212 PolarHBondContact O-N 3.17Å; A212-G216 VanDerWaalsContact O-CA 3.24Å; A212-G216 WeakPolarHBondContact O-CA 3.41Å; A212-G216 PolarHBondContact O-N 3.41Å; A212-Q217 WeakPolarHBondContact CA-O 3.47Å; A212-L218 HydrophobicContact CB-CD2 4.22Å
213M96.4Very high95.5Very high0 Ų09.5 Ų9.50%05%0.052CC..Hα-helixtrans-62.2-44.4175.6-69.4-169.7-65.700112.5L103 I107 G113 M114 A119 F122 F123 V209 L210 V211L103-M213 HydrophobicContact CD1-CG 4.43Å; L103-M213 HydrophobicContact CD1-SD 3.95Å; L103-M213 HydrophobicContact CD2-CG 4.31Å; L103-M213 HydrophobicContact CD2-SD 3.9Å; L103-M213 HydrophobicContact CG-SD 4.42Å; I107-M213 HydrophobicContact CD1-CG 4.18Å; I107-M213 HydrophobicContact CG1-CG 4.14Å; G113-M213 CarbonylContact C-O 3.46Å; G113-M213 WeakPolarHBondContact CA-O 3.13Å; M114-M213 HydrophobicContact CE-CB 4.02Å; M114-M213 HydrophobicContact CE-CG 3.76Å; M114-M213 HydrophobicContact CE-SD 4.27Å; M114-M213 HydrophobicContact CG-CB 4.39Å; M114-M213 WeakPolarHBondContact CG-O 3.48Å; M114-M213 PolarHBondContact N-O 3.39Å; M114-M213 HydrophobicContact SD-CB 4.25Å; M114-M213 HydrophobicContact SD-CG 4.34Å; M114-M213 HydrophobicContact SD-SD 4.36Å; A119-M213 HydrophobicContact CB-CB 3.97Å; F122-M213 HydrophobicContact CB-SD 3.91Å; F123-M213 HydrophobicContact CB-CE 3.8Å; F123-M213 HydrophobicContact CD2-CE 3.82Å; F123-M213 HydrophobicContact CG-CE 4.3Å; V209-M213 HydrophobicContact CG1-CE 4.28Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.4Å; L210-M213 HydrophobicContact CB-CE 4.47Å; L210-M213 HydrophobicContact CD1-CE 3.98Å; L210-M213 PolarHBondContact O-N 2.82Å; V211-M213 VanDerWaalsContact C-N 3.34Å; V211-M213 PolarHBondContact O-N 3.03Å
214L95.7Very high95.2Very high22 Ų2211 Ų1112%0.1156%0.061CC..Hα-helixtrans-72.7-33-173.7-70.1168.7000113.7I116 A119 L210 V211 I247 P251 L255 W277I116-L214 HydrophobicContact CG1-CD2 4.16Å; A119-L214 HydrophobicContact CB-CD2 3.88Å; A119-L214 HydrophobicContact CB-CG 4.47Å; L210-L214 HydrophobicContact CD1-CD1 3.71Å; L210-L214 HydrophobicContact CD1-CD2 4.46Å; L210-L214 HydrophobicContact CD1-CG 3.84Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.38Å; L210-L214 VanDerWaalsContact O-CG 3.32Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.99Å; V211-L214 PolarHBondContact O-N 3.23Å; L214-I247 HydrophobicContact CD1-CG2 3.89Å; L214-P251 HydrophobicContact CD1-CB 3.86Å; L214-P251 HydrophobicContact CD1-CG 4.48Å; L214-L255 HydrophobicContact CD1-CD1 4.15Å; L214-W277 HydrophobicContact CD2-CZ2 4.35Å
215V94.4Very high94.8Very high4 Ų414.7 Ų14.72%0.0248%0.079CC..Hα-helixtrans-135.90.9-170.3-59.70000115.2D111 V112 G113 V211 Q217 P243 K246 I247D111-V215 CarbonylContact C-O 3.45Å; D111-V215 VanDerWaalsContact CA-O 3.23Å; D111-V215 WeakPolarHBondContact CA-O 3.33Å; V112-V215 PolarHBondContact N-O 2.8Å; V112-V215 WeakPolarHBondContact O-CA 3.12Å; G113-V215 VanDerWaalsContact N-C 3.34Å; V211-V215 HydrophobicContact CG1-CG2 3.96Å; V211-V215 WeakPolarHBondContact O-CG2 3.32Å; V211-V215 PolarHBondContact O-N 2.94Å; V215-Q217 HydrophobicContact CG2-CB 3.91Å; V215-Q217 PolarHBondContact O-N 3.26Å; V215-P243 HydrophobicContact CG2-CB 3.57Å; V215-K246 HydrophobicContact CG1-CB 3.76Å; V215-I247 HydrophobicContact CG1-CD1 4.35Å; V215-I247 HydrophobicContact CG1-CG1 3.62Å
216G92Very high94.4Very high0 Ų022 Ų220%011%0.112CC..SBendtrans60.828.9179.700000113.4D111 G113 A212D111-G216 PolarHBondContact N-O 2.81Å; G113-G216 VanDerWaalsContact CA-N 3.26Å; A212-G216 VanDerWaalsContact O-CA 3.24Å; A212-G216 WeakPolarHBondContact O-CA 3.41Å; A212-G216 PolarHBondContact O-N 3.41Å
217Q91.3Very high94.1Very high22 Ų2222.7 Ų22.710%0.10312%0.117CC..SBendtrans-136.4154.3-179.7-69.717542.200109.7D111 A212 V215 S242 P243D111-Q217 WeakPolarHBondContact OD1-CG 3.39Å; D111-Q217 PolarHBondContact OD1-NE2 2.98Å; A212-Q217 WeakPolarHBondContact CA-O 3.47Å; V215-Q217 HydrophobicContact CG2-CB 3.91Å; V215-Q217 PolarHBondContact O-N 3.26Å; Q217-S242 PolarHBondContact OE1-OG 2.89Å; Q217-P243 HydrophobicContact CB-CB 4.31Å
218L92.5Very high93.7Very high25 Ų2530.5 Ų30.513%0.13115%0.151CC..  trans-90.8147.1166.2-58.8-178.3000109.8P185 Y186 V208 A212 W220 D454 L456P185-L218 HydrophobicContact CB-CD1 3.64Å; P185-L218 HydrophobicContact CG-CD1 3.81Å; Y186-L218 HydrophobicContact CE1-CD2 4.22Å; Y186-L218 HydrophobicContact CE2-CD2 4.43Å; Y186-L218 WeakPolarHBondContact OH-CD2 3.4Å; V208-L218 HydrophobicContact CG1-CD2 4.24Å; A212-L218 HydrophobicContact CB-CD2 4.22Å; L218-W220 VanDerWaalsContact C-N 3.28Å; L218-W220 PolarHBondContact O-N 3.41Å; L218-D454 WeakPolarHBondContact CD1-OD2 3.38Å; L218-L456 HydrophobicContact CD2-CD1 4.11Å; L218-L456 HydrophobicContact CG-CD1 4.09Å
219P93.8Very high93.5Very high4 Ų432.1 Ų32.13%0.02617%0.165CC..SBendtrans-71.4-23.8178.730.2-35.3000113.3V208 V211 A229 P243 W244V208-P219 HydrophobicContact CG1-CG 4.16Å; V208-P219 HydrophobicContact CG2-CG 4.36Å; V211-P219 HydrophobicContact CG1-CB 4.29Å; V211-P219 HydrophobicContact CG1-CG 4.43Å; P219-A229 WeakPolarHBondContact O-CB 3.5Å; P219-P243 HydrophobicContact CB-CG 4.16Å; P219-W244 HydrophobicContact CB-CH2 3.36Å; P219-W244 HydrophobicContact CB-CZ2 3.42Å; P219-W244 VanDerWaalsContact CB-CZ2 3.42Å; P219-W244 HydrophobicContact CB-CZ3 4.36Å; P219-W244 HydrophobicContact CG-CH2 4.33Å
220W94Very high93.3Very high5 Ų532.5 Ų32.52%0.01917%0.167CC..  trans-165.7166.118042.769.5000110.1P185 W204 V208 L218 A229 F230 W233 W244 L259P185-W220 PolarHBondContact O-NE1 3.3Å; P185-W220 VanDerWaalsContact O-NE1 3.09Å; W204-W220 AromaticContact CE2-CZ2 3.82Å; W204-W220 AromaticContact CH2-CH2 3.93Å; W204-W220 HydrophobicContact CH2-CH2 3.93Å; W204-W220 AromaticContact CH2-CZ2 3.8Å; W204-W220 HydrophobicContact CH2-CZ2 3.8Å; W204-W220 AromaticContact CZ2-CE2 3.86Å; W204-W220 AromaticContact CZ2-CH2 3.78Å; W204-W220 HydrophobicContact CZ2-CH2 3.78Å; W204-W220 AromaticContact CZ2-CZ2 3.16Å; W204-W220 HydrophobicContact CZ2-CZ2 3.16Å; V208-W220 HydrophobicContact CG2-CZ2 4.16Å; L218-W220 VanDerWaalsContact C-N 3.28Å; L218-W220 PolarHBondContact O-N 3.41Å; W220-A229 HydrophobicContact CB-CB 4.25Å; W220-F230 HydrophobicContact CB-CB 4.02Å; W220-F230 HydrophobicContact CD2-CB 4.23Å; W220-F230 AromaticContact CD2-CD2 3.9Å; W220-F230 HydrophobicContact CD2-CD2 3.9Å; W220-F230 HydrophobicContact CE3-CB 4.26Å; W220-F230 HydrophobicContact CE3-CD2 4.01Å; W220-F230 HydrophobicContact CG-CB 4.12Å; W220-F230 HydrophobicContact CG-CD2 4.36Å; W220-F230 HydrophobicContact CZ3-CD2 4.33Å; W220-W233 HydrophobicContact CE3-CB 4.46Å; W220-W233 AromaticContact CH2-CD1 3.96Å; W220-W233 HydrophobicContact CH2-CG 4.32Å; W220-W233 HydrophobicContact CZ3-CB 3.93Å; W220-W233 AromaticContact CZ3-CD1 3.7Å; W220-W233 HydrophobicContact CZ3-CD2 4.2Å; W220-W233 AromaticContact CZ3-CG 3.66Å; W220-W233 HydrophobicContact CZ3-CG 3.66Å; W220-W244 HydrophobicContact CE3-CZ2 4.18Å; W220-W244 HydrophobicContact CH2-CH2 4.19Å; W220-W244 HydrophobicContact CH2-CZ2 4.4Å; W220-W244 AromaticContact CZ3-CH2 3.86Å; W220-W244 HydrophobicContact CZ3-CH2 3.86Å; W220-W244 AromaticContact CZ3-CZ2 3.62Å; W220-W244 HydrophobicContact CZ3-CZ2 3.62Å; W220-L259 HydrophobicContact CH2-CB 4.3Å; W220-L259 HydrophobicContact CH2-CD1 3.92Å; W220-L259 HydrophobicContact CH2-CD2 4.29Å; W220-L259 HydrophobicContact CH2-CG 4.4Å; W220-L259 HydrophobicContact CZ2-CD1 4.5Å; W220-L259 HydrophobicContact CZ2-CD2 4.25Å
221D90Very high93.1Very high79 Ų7933.1 Ų33.142%0.42217%0.171SC..SBendtrans-84.6-35175.9-60.2-44.2000112.4P185 R427P185-D221 WeakPolarHBondContact CG-O 3.32Å; D221-R427 HydrophobicContact CB-CG 3.85Å; D221-R427 VanDerWaalsContact CG-CG 3.49Å; D221-R427 WeakPolarHBondContact OD1-CD 3.47Å; D221-R427 WeakPolarHBondContact OD1-CG 3.26Å; D221-R427 IonicContact OD1-NE 2.92Å; D221-R427 PolarHBondContact OD1-NE 3.22Å
222S91.4Very high92.8Very high25 Ų2539.5 Ų39.518%0.17520%0.196CC..SBendtrans-149.6148.8178.262.40000110.3T224 C227S222-T224 PolarHBondContact O-N 2.99Å; S222-T224 PolarHBondContact OG-OG1 3.21Å; S222-C227 VanDerWaalsContact O-CB 3.26Å; S222-C227 WeakPolarHBondContact O-CB 3.21Å
223P93.9Very high92.7Very high5 Ų539.8 Ų39.83%0.03220%0.197CC..SBendtrans-84.455177.238.3-41000110.7L184 V187 P189 L192 W204 F230L184-P223 WeakPolarHBondContact O-CD 3.37Å; V187-P223 HydrophobicContact CG1-CG 3.61Å; V187-P223 WeakPolarHBondContact O-CG 3.38Å; P189-P223 HydrophobicContact CB-CB 4.12Å; L192-P223 HydrophobicContact CD1-CG 3.85Å; W204-P223 HydrophobicContact CZ2-CB 4.35Å; P223-F230 HydrophobicContact CB-CD2 3.96Å; P223-F230 HydrophobicContact CB-CE2 3.68Å; P223-F230 HydrophobicContact CB-CZ 4.1Å
224T93Very high92.5Very high36 Ų3640.1 Ų40.122%0.22120%0.199CC..SBendtrans-129.5154.9-177.8760000111.2L192 S222 E226 C227 F230L192-T224 HydrophobicContact CD1-CG2 3.62Å; S222-T224 PolarHBondContact O-N 2.99Å; S222-T224 PolarHBondContact OG-OG1 3.21Å; T224-E226 WeakPolarHBondContact CB-OE2 3.2Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-OE2 2.84Å; T224-C227 WeakPolarHBondContact O-CB 3.36Å; T224-C227 PolarHBondContact O-N 2.96Å; T224-F230 WeakPolarHBondContact O-CD1 3.27Å
225E90.4Very high92.2Very high78 Ų7844.3 Ų44.336%0.36422%0.216SC..THydrogen-bonded Turntrans-64.2-20.3-177.7-75-69.2136.200113.2C227 S234 K235E225-C227 VanDerWaalsContact C-N 3.27Å; E225-S234 PolarHBondContact OE1-OG 3.2Å; E225-K235 WeakPolarHBondContact OE2-CE 3.18Å; E225-K235 IonicContact OE2-NZ 3.54Å; E225-K235 PolarHBondContact OE2-NZ 3.12Å
226E90.7Very high91.7Very high156 Ų15651.7 Ų51.773%0.72925%0.252SS*.THydrogen-bonded Turntrans-69.2-27.7172.7-57.973.3-154.200111.8T224 K228T224-E226 WeakPolarHBondContact CB-OE2 3.2Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-OE2 2.84Å; E226-K228 PolarHBondContact O-N 2.74Å
227C91.1Very high91.3Very high15 Ų1552.9 Ų52.910%0.10126%0.262CS..SBendtrans-78.8106.2173.6-174.80000109.7S222 T224 E225 A229 F230 A231S222-C227 VanDerWaalsContact O-CB 3.26Å; S222-C227 WeakPolarHBondContact O-CB 3.21Å; T224-C227 WeakPolarHBondContact O-CB 3.36Å; T224-C227 PolarHBondContact O-N 2.96Å; E225-C227 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 3.46Å; C227-A229 VanDerWaalsContact O-N 3.15Å; C227-F230 HydrophobicContact CB-CB 4.04Å; C227-F230 PolarHBondContact O-N 2.73Å; C227-F230 VanDerWaalsContact O-N 3.11Å; C227-A231 PolarHBondContact O-N 3.36Å
228K91.4Very high91Very high164 Ų16454.2 Ų54.271%0.71327%0.27SS*.Hα-helixtrans-54.7-36.2-178.2-66.7179.8-179.2176.10113.6E226 R232E226-K228 PolarHBondContact O-N 2.74Å; K228-R232 VanDerWaalsContact O-CG 3.32Å; K228-R232 WeakPolarHBondContact O-CG 3.27Å; K228-R232 PolarHBondContact O-N 3.27Å; K228-R232 VanDerWaalsContact O-N 3.15Å
229A92.3Very high90.8Very high35 Ų3554.3 Ų54.329%0.28927%0.272SS..Hα-helixtrans-67.3-46.8179.100000111.3P219 W220 C227 R232 W233P219-A229 WeakPolarHBondContact O-CB 3.5Å; W220-A229 HydrophobicContact CB-CB 4.25Å; C227-A229 PolarHBondContact O-N 3.46Å; C227-A229 VanDerWaalsContact O-N 3.15Å; A229-R232 PolarHBondContact O-N 2.87Å; A229-W233 PolarHBondContact O-N 2.95Å
230F94.7Very high90.4Very high8 Ų858.3 Ų58.34%0.03530%0.301CS..Hα-helixtrans-63.1-46173.9178.7-97.7000111.7P189 W204 W220 P223 T224 C227 R232 W233 S234P189-F230 HydrophobicContact CB-CE2 4.42Å; P189-F230 HydrophobicContact CB-CZ 3.86Å; P189-F230 HydrophobicContact CG-CE2 4.45Å; P189-F230 HydrophobicContact CG-CZ 4.17Å; W204-F230 AromaticContact CH2-CE2 3.73Å; W204-F230 HydrophobicContact CH2-CE2 3.73Å; W204-F230 HydrophobicContact CZ2-CD2 4.47Å; W204-F230 AromaticContact CZ2-CE2 3.88Å; W204-F230 HydrophobicContact CZ2-CE2 3.88Å; W220-F230 HydrophobicContact CB-CB 4.02Å; W220-F230 HydrophobicContact CD2-CB 4.23Å; W220-F230 AromaticContact CD2-CD2 3.9Å; W220-F230 HydrophobicContact CD2-CD2 3.9Å; W220-F230 HydrophobicContact CE3-CB 4.26Å; W220-F230 HydrophobicContact CE3-CD2 4.01Å; W220-F230 HydrophobicContact CG-CB 4.12Å; W220-F230 HydrophobicContact CG-CD2 4.36Å; W220-F230 HydrophobicContact CZ3-CD2 4.33Å; P223-F230 HydrophobicContact CB-CD2 3.96Å; P223-F230 HydrophobicContact CB-CE2 3.68Å; P223-F230 HydrophobicContact CB-CZ 4.1Å; T224-F230 WeakPolarHBondContact O-CD1 3.27Å; C227-F230 HydrophobicContact CB-CB 4.04Å; C227-F230 PolarHBondContact O-N 2.73Å; C227-F230 VanDerWaalsContact O-N 3.11Å; F230-R232 PolarHBondContact O-N 3.21Å; F230-W233 CarbonylContact O-C 3.56Å; F230-W233 WeakPolarHBondContact O-CA 3.48Å; F230-W233 WeakPolarHBondContact O-CB 3.13Å; F230-W233 PolarHBondContact O-N 2.86Å; F230-S234 WeakPolarHBondContact O-CB 3.21Å; F230-S234 PolarHBondContact O-N 3.39Å; F230-S234 PolarHBondContact O-OG 3.09Å
231A93Very high90.1Very high12 Ų1259.7 Ų59.710%0.09931%0.311CS..Hα-helixtrans-60.2-30.9-179.900000113.6C227 S234 K235C227-A231 PolarHBondContact O-N 3.36Å; A231-S234 WeakPolarHBondContact CA-OG 3.37Å; A231-S234 PolarHBondContact O-OG 2.89Å; A231-K235 WeakPolarHBondContact O-CB 3.4Å; A231-K235 WeakPolarHBondContact O-CD 3.46Å; A231-K235 VanDerWaalsContact O-CG 3.28Å; A231-K235 WeakPolarHBondContact O-CG 3.38Å; A231-K235 PolarHBondContact O-N 2.95Å
232R91.7Very high90Very high134 Ų13458.1 Ų58.151%0.50631%0.306SS..Hα-helixtrans-70.8-43.1173-74.7174.2-174.7165.6-0.5111.5K228 A229 F230 M236 D238K228-R232 VanDerWaalsContact O-CG 3.32Å; K228-R232 WeakPolarHBondContact O-CG 3.27Å; K228-R232 PolarHBondContact O-N 3.27Å; K228-R232 VanDerWaalsContact O-N 3.15Å; A229-R232 PolarHBondContact O-N 2.87Å; F230-R232 PolarHBondContact O-N 3.21Å; R232-M236 PolarHBondContact O-N 2.86Å; R232-D238 HydrophobicContact CB-CB 4.36Å
233W93.7Very high90Very high7 Ų757 Ų573%0.02730%0.299CS..Hα-helixtrans-65.4-48.5176.5-178.7-94.5000112W220 A229 F230 K235 A237 W244 K256 L259W220-W233 HydrophobicContact CE3-CB 4.46Å; W220-W233 AromaticContact CH2-CD1 3.96Å; W220-W233 HydrophobicContact CH2-CG 4.32Å; W220-W233 HydrophobicContact CZ3-CB 3.93Å; W220-W233 AromaticContact CZ3-CD1 3.7Å; W220-W233 HydrophobicContact CZ3-CD2 4.2Å; W220-W233 AromaticContact CZ3-CG 3.66Å; W220-W233 HydrophobicContact CZ3-CG 3.66Å; A229-W233 PolarHBondContact O-N 2.95Å; F230-W233 CarbonylContact O-C 3.56Å; F230-W233 WeakPolarHBondContact O-CA 3.48Å; F230-W233 WeakPolarHBondContact O-CB 3.13Å; F230-W233 PolarHBondContact O-N 2.86Å; W233-K235 PolarHBondContact O-N 3.37Å; W233-A237 VanDerWaalsContact O-CA 3.25Å; W233-A237 WeakPolarHBondContact O-CA 3.41Å; W233-A237 PolarHBondContact O-N 2.88Å; W233-W244 HydrophobicContact CD2-CH2 4.18Å; W233-W244 AromaticContact CD2-CZ2 3.87Å; W233-W244 HydrophobicContact CD2-CZ2 3.87Å; W233-W244 AromaticContact CE3-CD2 3.85Å; W233-W244 HydrophobicContact CE3-CD2 3.85Å; W233-W244 AromaticContact CE3-CE2 3.43Å; W233-W244 VanDerWaalsContact CE3-CE2 3.43Å; W233-W244 HydrophobicContact CE3-CE3 4.25Å; W233-W244 HydrophobicContact CE3-CG 4.44Å; W233-W244 AromaticContact CE3-CH2 3.9Å; W233-W244 HydrophobicContact CE3-CH2 3.9Å; W233-W244 AromaticContact CE3-CZ2 3.48Å; W233-W244 HydrophobicContact CE3-CZ2 3.48Å; W233-W244 VanDerWaalsContact CE3-CZ2 3.48Å; W233-W244 HydrophobicContact CE3-CZ3 4.27Å; W233-W244 AromaticContact CE3-NE1 3.81Å; W233-W244 HydrophobicContact CG-CZ2 4.39Å; W233-W244 HydrophobicContact CH2-CE3 4.17Å; W233-W244 HydrophobicContact CH2-CH2 4.23Å; W233-W244 HydrophobicContact CH2-CZ3 4.01Å; W233-W244 AromaticContact CZ3-CD2 3.6Å; W233-W244 HydrophobicContact CZ3-CD2 3.6Å; W233-W244 AromaticContact CZ3-CE2 3.7Å; W233-W244 AromaticContact CZ3-CE3 3.66Å; W233-W244 HydrophobicContact CZ3-CE3 3.66Å; W233-W244 HydrophobicContact CZ3-CG 4.22Å; W233-W244 AromaticContact CZ3-CH2 3.92Å; W233-W244 HydrophobicContact CZ3-CH2 3.92Å; W233-W244 AromaticContact CZ3-CZ2 3.88Å; W233-W244 HydrophobicContact CZ3-CZ2 3.88Å; W233-W244 AromaticContact CZ3-CZ3 3.81Å; W233-W244 HydrophobicContact CZ3-CZ3 3.81Å; W233-K256 HydrophobicContact CH2-CG 3.81Å; W233-K256 HydrophobicContact CZ2-CG 4.42Å; W233-L259 HydrophobicContact CZ2-CB 3.75Å; W233-L259 HydrophobicContact CZ2-CD1 4.38Å; W233-L259 PolarHBondContact NE1-O 3.45Å
234S91.9Very high90.1Very high7 Ų757 Ų575%0.04930%0.298CS..Hα-helixtrans-66.1-19.9-175.970.30000114.2E225 F230 A231 F300E225-S234 PolarHBondContact OE1-OG 3.2Å; F230-S234 WeakPolarHBondContact O-CB 3.21Å; F230-S234 PolarHBondContact O-N 3.39Å; F230-S234 PolarHBondContact O-OG 3.09Å; A231-S234 WeakPolarHBondContact CA-OG 3.37Å; A231-S234 PolarHBondContact O-OG 2.89Å; S234-F300 VanDerWaalsContact O-CZ 3.25Å; S234-F300 WeakPolarHBondContact O-CZ 3.45Å
235K89.5Confident90Very high110 Ų11060.6 Ų60.648%0.47831%0.312SS..Hα-helixtrans-100.1-33.2-178-72173.9-173.81560114.3E225 A231 W233 F300E225-K235 WeakPolarHBondContact OE2-CE 3.18Å; E225-K235 IonicContact OE2-NZ 3.54Å; E225-K235 PolarHBondContact OE2-NZ 3.12Å; A231-K235 WeakPolarHBondContact O-CB 3.4Å; A231-K235 WeakPolarHBondContact O-CD 3.46Å; A231-K235 VanDerWaalsContact O-CG 3.28Å; A231-K235 WeakPolarHBondContact O-CG 3.38Å; A231-K235 PolarHBondContact O-N 2.95Å; W233-K235 PolarHBondContact O-N 3.37Å; K235-F300 WeakPolarHBondContact O-CE1 3.47Å
236M84Confident90.1Very high158 Ų15861.2 Ų61.278%0.77831%0.314SS*.Hα-helixtrans-144.36.3-172.1-61.6-159.217900114.1R232 D238R232-M236 PolarHBondContact O-N 2.86Å; M236-D238 PolarHBondContact O-N 2.79Å; M236-D238 VanDerWaalsContact O-N 3.15Å
237A83.1Confident90.3Very high25 Ų2554.5 Ų54.521%0.20728%0.282CS..  trans46.741.4-170.300000111.9W233 C239 F300W233-A237 VanDerWaalsContact O-CA 3.25Å; W233-A237 WeakPolarHBondContact O-CA 3.41Å; W233-A237 PolarHBondContact O-N 2.88Å; A237-C239 PolarHBondContact O-N 3.14Å; A237-C239 VanDerWaalsContact O-N 3.09Å; A237-C239 PolarHBondContact O-SG 2.92Å; A237-F300 HydrophobicContact CB-CE2 4.35Å
238D84.6Confident90.3Very high50 Ų5057.5 Ų57.527%0.26730%0.295SS..  trans-62113.2-174.4178.212000110.7R232 M236 S240 W244R232-D238 HydrophobicContact CB-CB 4.36Å; M236-D238 PolarHBondContact O-N 2.79Å; M236-D238 VanDerWaalsContact O-N 3.15Å; D238-S240 VanDerWaalsContact CG-OG 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.99Å; D238-S240 PolarHBondContact OD1-OG 2.76Å; D238-S240 PolarHBondContact OD2-OG 2.91Å; D238-W244 VanDerWaalsContact O-CD1 3.24Å
239C88.1Confident90.4Very high27 Ų2755 Ų5518%0.18229%0.286CS..  trans-100.88.1-179.4-63.10000113.1A237 W244 H245 L252 K256A237-C239 PolarHBondContact O-N 3.14Å; A237-C239 VanDerWaalsContact O-N 3.09Å; A237-C239 PolarHBondContact O-SG 2.92Å; C239-W244 HydrophobicContact CB-CB 3.86Å; C239-H245 PolarHBondContact O-N 2.75Å; C239-L252 HydrophobicContact CB-CD2 4.21Å; C239-K256 WeakPolarHBondContact SG-CE 3.48Å
240S86.1Confident90.5Very high89 Ų8956 Ų5662%0.62229%0.288SS*.SBendtrans-75-24.6-174.766.60000113.7D238D238-S240 VanDerWaalsContact CG-OG 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.99Å; D238-S240 PolarHBondContact OD1-OG 2.76Å; D238-S240 PolarHBondContact OD2-OG 2.91Å
241S88Confident90.6Very high33 Ų3355.6 Ų55.623%0.23129%0.286CS..SBendtrans-103.6173.1-176.769.20000113.4W244 H245S241-W244 PolarHBondContact O-N 3.47Å; S241-H245 PolarHBondContact O-N 3.36Å; S241-H245 PolarHBondContact O-ND1 3.15Å
242S87.1Confident90.7Very high46 Ų4656.1 Ų56.132%0.32229%0.287SS..THydrogen-bonded Turntrans-61.6145.4169.6-146.60000109.9Q217 H245Q217-S242 PolarHBondContact OE1-OG 2.89Å; S242-H245 VanDerWaalsContact CA-CE1 3.41Å; S242-H245 WeakPolarHBondContact CA-CE1 3.15Å; S242-H245 WeakPolarHBondContact CA-ND1 3.35Å; S242-H245 PolarHBondContact N-CE1 2.81Å; S242-H245 PolarHBondContact N-ND1 3.43Å
243P92.2Very high91Very high3 Ų351.5 Ų51.52%0.01928%0.275CS..THydrogen-bonded Turncis-81.6-10-3.730.8-34.1000115.4V211 V215 Q217 P219 H245 K246V211-P243 HydrophobicContact CG1-CB 4.05Å; V211-P243 HydrophobicContact CG1-CG 3.67Å; V215-P243 HydrophobicContact CG2-CB 3.57Å; Q217-P243 HydrophobicContact CB-CB 4.31Å; P219-P243 HydrophobicContact CB-CG 4.16Å; P243-H245 PolarHBondContact O-N 2.88Å; P243-K246 WeakPolarHBondContact O-CB 3.49Å; P243-K246 PolarHBondContact O-N 3.47Å
244W95.2Very high91.1Very high5 Ų551.1 Ų51.12%0.01927%0.274CS..G310 helixtrans-63.4-41.7-163-44.1114.6000114.9V211 P219 W220 W233 D238 C239 S241 K246 I247 L252 L259V211-W244 HydrophobicContact CG2-CH2 4.27Å; V211-W244 HydrophobicContact CG2-CZ3 3.82Å; P219-W244 HydrophobicContact CB-CH2 3.36Å; P219-W244 HydrophobicContact CB-CZ2 3.42Å; P219-W244 VanDerWaalsContact CB-CZ2 3.42Å; P219-W244 HydrophobicContact CB-CZ3 4.36Å; P219-W244 HydrophobicContact CG-CH2 4.33Å; W220-W244 HydrophobicContact CE3-CZ2 4.18Å; W220-W244 HydrophobicContact CH2-CH2 4.19Å; W220-W244 HydrophobicContact CH2-CZ2 4.4Å; W220-W244 AromaticContact CZ3-CH2 3.86Å; W220-W244 HydrophobicContact CZ3-CH2 3.86Å; W220-W244 AromaticContact CZ3-CZ2 3.62Å; W220-W244 HydrophobicContact CZ3-CZ2 3.62Å; W233-W244 HydrophobicContact CD2-CH2 4.18Å; W233-W244 AromaticContact CD2-CZ2 3.87Å; W233-W244 HydrophobicContact CD2-CZ2 3.87Å; W233-W244 AromaticContact CE3-CD2 3.85Å; W233-W244 HydrophobicContact CE3-CD2 3.85Å; W233-W244 AromaticContact CE3-CE2 3.43Å; W233-W244 VanDerWaalsContact CE3-CE2 3.43Å; W233-W244 HydrophobicContact CE3-CE3 4.25Å; W233-W244 HydrophobicContact CE3-CG 4.44Å; W233-W244 AromaticContact CE3-CH2 3.9Å; W233-W244 HydrophobicContact CE3-CH2 3.9Å; W233-W244 AromaticContact CE3-CZ2 3.48Å; W233-W244 HydrophobicContact CE3-CZ2 3.48Å; W233-W244 VanDerWaalsContact CE3-CZ2 3.48Å; W233-W244 HydrophobicContact CE3-CZ3 4.27Å; W233-W244 AromaticContact CE3-NE1 3.81Å; W233-W244 HydrophobicContact CG-CZ2 4.39Å; W233-W244 HydrophobicContact CH2-CE3 4.17Å; W233-W244 HydrophobicContact CH2-CH2 4.23Å; W233-W244 HydrophobicContact CH2-CZ3 4.01Å; W233-W244 AromaticContact CZ3-CD2 3.6Å; W233-W244 HydrophobicContact CZ3-CD2 3.6Å; W233-W244 AromaticContact CZ3-CE2 3.7Å; W233-W244 AromaticContact CZ3-CE3 3.66Å; W233-W244 HydrophobicContact CZ3-CE3 3.66Å; W233-W244 HydrophobicContact CZ3-CG 4.22Å; W233-W244 AromaticContact CZ3-CH2 3.92Å; W233-W244 HydrophobicContact CZ3-CH2 3.92Å; W233-W244 AromaticContact CZ3-CZ2 3.88Å; W233-W244 HydrophobicContact CZ3-CZ2 3.88Å; W233-W244 AromaticContact CZ3-CZ3 3.81Å; W233-W244 HydrophobicContact CZ3-CZ3 3.81Å; D238-W244 VanDerWaalsContact O-CD1 3.24Å; C239-W244 HydrophobicContact CB-CB 3.86Å; S241-W244 PolarHBondContact O-N 3.47Å; W244-K246 PolarHBondContact O-N 3.48Å; W244-K246 VanDerWaalsContact O-N 3.08Å; W244-I247 HydrophobicContact CE3-CD1 4.2Å; W244-I247 PolarHBondContact O-N 3.12Å; W244-L252 HydrophobicContact CB-CD1 4.44Å; W244-L252 HydrophobicContact CE3-CD1 4.15Å; W244-L259 HydrophobicContact CH2-CD1 3.77Å; W244-L259 HydrophobicContact CZ3-CD1 4.02Å
245H91.3Very high91.4Very high111 Ų11150.8 Ų50.851%0.51427%0.272SS..G310 helixtrans-64.6-12.9179.872.1-76.9000114.3C239 S241 S242 P243C239-H245 PolarHBondContact O-N 2.75Å; S241-H245 PolarHBondContact O-N 3.36Å; S241-H245 PolarHBondContact O-ND1 3.15Å; S242-H245 VanDerWaalsContact CA-CE1 3.41Å; S242-H245 WeakPolarHBondContact CA-CE1 3.15Å; S242-H245 WeakPolarHBondContact CA-ND1 3.35Å; S242-H245 PolarHBondContact N-CE1 2.81Å; S242-H245 PolarHBondContact N-ND1 3.43Å; P243-H245 PolarHBondContact O-N 2.88Å
246K92.3Very high91.8Very high91 Ų9149.4 Ų49.440%0.39627%0.266SS..G310 helixtrans-90.4-9.8175.5-59.8-178.6177.5-177.80112.8D111 V215 P243 W244D111-K246 PolarHBondContact O-NZ 3Å; V215-K246 HydrophobicContact CG1-CB 3.76Å; P243-K246 WeakPolarHBondContact O-CB 3.49Å; P243-K246 PolarHBondContact O-N 3.47Å; W244-K246 PolarHBondContact O-N 3.48Å; W244-K246 VanDerWaalsContact O-N 3.08Å
247I94.5Very high92.4Very high14 Ų1445.5 Ų45.57%0.07225%0.246CC..SBendtrans-95.6132.8-175.1-57.8176.1000109.3V211 L214 V215 W244 P251 L252 L255V211-I247 HydrophobicContact CG1-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CD1 4.47Å; L214-I247 HydrophobicContact CD1-CG2 3.89Å; V215-I247 HydrophobicContact CG1-CD1 4.35Å; V215-I247 HydrophobicContact CG1-CG1 3.62Å; W244-I247 HydrophobicContact CE3-CD1 4.2Å; W244-I247 PolarHBondContact O-N 3.12Å; I247-P251 HydrophobicContact CG2-CB 4.07Å; I247-P251 HydrophobicContact CG2-CG 3.86Å; I247-L252 HydrophobicContact CB-CB 4.47Å; I247-L252 HydrophobicContact CG2-CB 3.98Å; I247-L255 HydrophobicContact CD1-CD1 3.67Å; I247-L255 HydrophobicContact CG2-CD1 4.17Å
248H92.5Very high93.1Very high78 Ų7844.3 Ų44.336%0.36124%0.237SC..  trans-61154.1175.9-69.2-81.2000112.3I116 V250 P251 L252 C287I116-H248 HydrophobicContact CD1-CB 4.28Å; H248-V250 VanDerWaalsContact C-N 3.34Å; H248-V250 PolarHBondContact O-N 2.89Å; H248-P251 HydrophobicContact CB-CG 3.84Å; H248-P251 WeakPolarHBondContact O-CD 3.21Å; H248-P251 VanDerWaalsContact O-CG 3.27Å; H248-P251 WeakPolarHBondContact O-CG 3.32Å; H248-L252 WeakPolarHBondContact O-CB 3.38Å; H248-L252 PolarHBondContact O-N 3.31Å; H248-C287 WeakPolarHBondContact CE1-CB 3.44Å; H248-C287 VanDerWaalsContact CE1-SG 3.58Å; H248-C287 VanDerWaalsContact CG-SG 3.53Å; H248-C287 PolarHBondContact ND1-SG 3.06Å
249E92.8Very high93.8Very high112 Ų11242 Ų4252%0.52322%0.224SC..Hα-helixtrans-57.1-43.6-172.1-172.9176-174.100113.3L252 S253E249-L252 PolarHBondContact O-N 2.88Å; E249-S253 PolarHBondContact O-N 2.9Å
250V94.7Very high94.2Very high55 Ų5542.5 Ų42.533%0.33323%0.227SC..Hα-helixtrans-67.9-49.4-177.1-175.10000113.3H248 L252 S253 L254 H275 A276 W277 I282H248-V250 VanDerWaalsContact C-N 3.34Å; H248-V250 PolarHBondContact O-N 2.89Å; V250-L252 VanDerWaalsContact C-N 3.3Å; V250-L252 PolarHBondContact O-N 3.3Å; V250-S253 PolarHBondContact O-N 2.91Å; V250-S253 PolarHBondContact O-OG 3.15Å; V250-L254 PolarHBondContact O-N 3.33Å; V250-H275 PolarHBondContact O-CE1 2.86Å; V250-A276 HydrophobicContact CG1-CB 4.39Å; V250-W277 HydrophobicContact CG1-CB 3.87Å; V250-W277 HydrophobicContact CG1-CG 4.34Å; V250-I282 HydrophobicContact CB-CD1 4.3Å; V250-I282 HydrophobicContact CG1-CD1 3.98Å
251P96.2Very high94.7Very high1 Ų138.8 Ų38.81%0.00620%0.2CC..Hα-helixtrans-65.3-33.4170.620-28.6000112.7I116 L214 I247 H248 S253 L254 L255 W277I116-P251 HydrophobicContact CD1-CG 4.01Å; L214-P251 HydrophobicContact CD1-CB 3.86Å; L214-P251 HydrophobicContact CD1-CG 4.48Å; I247-P251 HydrophobicContact CG2-CB 4.07Å; I247-P251 HydrophobicContact CG2-CG 3.86Å; H248-P251 HydrophobicContact CB-CG 3.84Å; H248-P251 WeakPolarHBondContact O-CD 3.21Å; H248-P251 VanDerWaalsContact O-CG 3.27Å; H248-P251 WeakPolarHBondContact O-CG 3.32Å; P251-S253 VanDerWaalsContact C-N 3.34Å; P251-S253 PolarHBondContact O-N 3.22Å; P251-L254 PolarHBondContact O-N 2.95Å; P251-L255 WeakPolarHBondContact O-CG 3.4Å; P251-L255 PolarHBondContact O-N 2.95Å; P251-W277 HydrophobicContact CB-CD2 4.08Å; P251-W277 HydrophobicContact CB-CG 4.18Å; P251-W277 HydrophobicContact CB-CZ2 4.37Å
252L96.2Very high95Very high22 Ų2239.6 Ų39.612%0.11520%0.202CC..Hα-helixtrans-64.6-37.4177.6-175.761.1000111.9C239 W244 I247 H248 E249 V250 L254 L255 K256C239-L252 HydrophobicContact CB-CD2 4.21Å; W244-L252 HydrophobicContact CB-CD1 4.44Å; W244-L252 HydrophobicContact CE3-CD1 4.15Å; I247-L252 HydrophobicContact CB-CB 4.47Å; I247-L252 HydrophobicContact CG2-CB 3.98Å; H248-L252 WeakPolarHBondContact O-CB 3.38Å; H248-L252 PolarHBondContact O-N 3.31Å; E249-L252 PolarHBondContact O-N 2.88Å; V250-L252 VanDerWaalsContact C-N 3.3Å; V250-L252 PolarHBondContact O-N 3.3Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.09Å; L252-L255 PolarHBondContact O-N 3.04Å; L252-K256 WeakPolarHBondContact O-CG 3.42Å; L252-K256 PolarHBondContact O-N 2.63Å
253S96Very high95.5Very high37 Ų3738.8 Ų38.826%0.25920%0.196SC..Hα-helixtrans-62.7-40.6175.973.50000111.5E249 V250 P251 K256 M257 H275E249-S253 PolarHBondContact O-N 2.9Å; V250-S253 PolarHBondContact O-N 2.91Å; V250-S253 PolarHBondContact O-OG 3.15Å; P251-S253 VanDerWaalsContact C-N 3.34Å; P251-S253 PolarHBondContact O-N 3.22Å; S253-K256 PolarHBondContact O-N 3.17Å; S253-M257 WeakPolarHBondContact O-CE 3.46Å; S253-M257 WeakPolarHBondContact O-CG 3.47Å; S253-H275 PolarHBondContact OG-CE1 2.89Å; S253-H275 PolarHBondContact OG-NE2 2.96Å
254L97.6Very high95.7Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-64-46.7173.9-179.859.8000111.5F123 L210 V250 P251 L252 K256 M257 I258 I267 I272 H275 W277 L278F123-L254 HydrophobicContact CE1-CD2 3.94Å; L210-L254 HydrophobicContact CD2-CD2 4.38Å; V250-L254 PolarHBondContact O-N 3.33Å; P251-L254 PolarHBondContact O-N 2.95Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.09Å; L254-K256 VanDerWaalsContact C-N 3.28Å; L254-K256 PolarHBondContact O-N 2.72Å; L254-M257 PolarHBondContact O-N 2.87Å; L254-I258 HydrophobicContact CD1-CD1 3.9Å; L254-I258 HydrophobicContact CD1-CG1 4.05Å; L254-I258 HydrophobicContact CD2-CD1 4.11Å; L254-I258 HydrophobicContact CG-CD1 3.69Å; L254-I258 HydrophobicContact CG-CG1 4.18Å; L254-I258 PolarHBondContact O-N 2.82Å; L254-I267 HydrophobicContact CD1-CD1 4.12Å; L254-I272 HydrophobicContact CD1-CG1 4.45Å; L254-I272 HydrophobicContact CD1-CG2 4.44Å; L254-H275 HydrophobicContact CD1-CB 3.94Å; L254-W277 HydrophobicContact CD2-CB 4.47Å; L254-W277 HydrophobicContact CD2-CE3 3.68Å; L254-W277 HydrophobicContact CD2-CZ3 4.42Å; L254-L278 HydrophobicContact CD2-CD1 3.44Å; L254-L278 VanDerWaalsContact CD2-CD1 3.44Å
255L98Very high95.8Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-59.2-38.1179.7-77.1169.3000112.3G207 L210 V211 L214 I247 P251 L252 M257 I258 L259G207-L255 WeakPolarHBondContact O-CD2 3.47Å; L210-L255 HydrophobicContact CB-CD2 4.1Å; L210-L255 HydrophobicContact CD2-CD2 3.82Å; L210-L255 HydrophobicContact CD2-CG 4.04Å; L210-L255 HydrophobicContact CG-CD2 4.03Å; L210-L255 HydrophobicContact CG-CG 4.44Å; V211-L255 HydrophobicContact CG2-CD1 3.87Å; V211-L255 HydrophobicContact CG2-CD2 3.74Å; V211-L255 HydrophobicContact CG2-CG 4.45Å; L214-L255 HydrophobicContact CD1-CD1 4.15Å; I247-L255 HydrophobicContact CD1-CD1 3.67Å; I247-L255 HydrophobicContact CG2-CD1 4.17Å; P251-L255 WeakPolarHBondContact O-CG 3.4Å; P251-L255 PolarHBondContact O-N 2.95Å; L252-L255 PolarHBondContact O-N 3.04Å; L255-M257 PolarHBondContact O-N 3.26Å; L255-I258 PolarHBondContact O-N 2.73Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.26Å
256K96.6Very high96.1Very high81 Ų8144.1 Ų44.135%0.35223%0.233SC..Hα-helixtrans-58.9-33.6173.5-76.5177.7176.1-177.70113.2W233 C239 L252 S253 L254 T260W233-K256 HydrophobicContact CH2-CG 3.81Å; W233-K256 HydrophobicContact CZ2-CG 4.42Å; C239-K256 WeakPolarHBondContact SG-CE 3.48Å; L252-K256 WeakPolarHBondContact O-CG 3.42Å; L252-K256 PolarHBondContact O-N 2.63Å; S253-K256 PolarHBondContact O-N 3.17Å; L254-K256 VanDerWaalsContact C-N 3.28Å; L254-K256 PolarHBondContact O-N 2.72Å; K256-T260 PolarHBondContact O-OG1 2.87Å
257M97.8Very high96.4Very high76 Ų7640.8 Ų40.837%0.37422%0.219SC..Hα-helixtrans-85.3-32.6179-53.3179.5-138.300112.7S253 L254 L255 T260 I267 H275S253-M257 WeakPolarHBondContact O-CE 3.46Å; S253-M257 WeakPolarHBondContact O-CG 3.47Å; L254-M257 PolarHBondContact O-N 2.87Å; L255-M257 PolarHBondContact O-N 3.26Å; M257-T260 PolarHBondContact O-OG1 3.41Å; M257-I267 HydrophobicContact CB-CB 3.86Å; M257-I267 HydrophobicContact CB-CD1 4Å; M257-I267 HydrophobicContact CB-CG1 4.45Å; M257-I267 HydrophobicContact CB-CG2 4.07Å; M257-I267 WeakPolarHBondContact O-CG2 3.39Å; M257-I267 PolarHBondContact O-N 3.16Å; M257-I267 VanDerWaalsContact O-N 3.12Å; M257-I267 HydrophobicContact SD-CD1 3.94Å; M257-H275 WeakPolarHBondContact CE-NE2 3.43Å
258I98.3Very high96.5Very high0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-72.5-41.9176.3-69.9-179.6000111.5F123 I203 G207 L254 L255 T260 R266 I267 I272F123-I258 HydrophobicContact CE1-CD1 4.38Å; F123-I258 HydrophobicContact CZ-CD1 3.82Å; I203-I258 HydrophobicContact CG2-CG1 4.42Å; I203-I258 HydrophobicContact CG2-CG2 3.94Å; I203-I258 WeakPolarHBondContact O-CG2 3.45Å; G207-I258 VanDerWaalsContact CA-CG2 3.49Å; L254-I258 HydrophobicContact CD1-CD1 3.9Å; L254-I258 HydrophobicContact CD1-CG1 4.05Å; L254-I258 HydrophobicContact CD2-CD1 4.11Å; L254-I258 HydrophobicContact CG-CD1 3.69Å; L254-I258 HydrophobicContact CG-CG1 4.18Å; L254-I258 PolarHBondContact O-N 2.82Å; L255-I258 PolarHBondContact O-N 2.73Å; I258-T260 VanDerWaalsContact C-N 3.27Å; I258-T260 PolarHBondContact O-N 2.63Å; I258-R266 WeakPolarHBondContact O-CD 3.32Å; I258-R266 VanDerWaalsContact O-CG 3.25Å; I258-R266 WeakPolarHBondContact O-CG 3.2Å; I258-I267 HydrophobicContact CB-CG2 4.27Å; I258-I267 HydrophobicContact CG1-CG2 3.59Å; I258-I272 HydrophobicContact CD1-CD1 4.2Å; I258-I272 HydrophobicContact CD1-CG1 4.4Å; I258-I272 HydrophobicContact CG1-CD1 4.14Å; I258-I272 HydrophobicContact CG1-CG1 4.29Å
259L97.9Very high96.8Very high1 Ų140 Ų401%0.00522%0.221CC..THydrogen-bonded Turntrans-94.929-175.7-57.2173.7000112W204 V208 V211 W220 W233 W244 L255 C261W204-L259 HydrophobicContact CD2-CD2 3.89Å; W204-L259 HydrophobicContact CE3-CB 4.43Å; W204-L259 HydrophobicContact CE3-CD2 4.04Å; W204-L259 HydrophobicContact CG-CD2 4.3Å; W204-L259 HydrophobicContact CH2-CB 4.46Å; W204-L259 HydrophobicContact CZ2-CD2 4.46Å; W204-L259 VanDerWaalsContact CZ3-C 3.49Å; W204-L259 HydrophobicContact CZ3-CB 4.13Å; W204-L259 HydrophobicContact CZ3-CD2 4.38Å; W204-L259 WeakPolarHBondContact CZ3-O 3.34Å; V208-L259 HydrophobicContact CG2-CD2 4.11Å; V211-L259 HydrophobicContact CG2-CD1 4.27Å; W220-L259 HydrophobicContact CH2-CB 4.3Å; W220-L259 HydrophobicContact CH2-CD1 3.92Å; W220-L259 HydrophobicContact CH2-CD2 4.29Å; W220-L259 HydrophobicContact CH2-CG 4.4Å; W220-L259 HydrophobicContact CZ2-CD1 4.5Å; W220-L259 HydrophobicContact CZ2-CD2 4.25Å; W233-L259 HydrophobicContact CZ2-CB 3.75Å; W233-L259 HydrophobicContact CZ2-CD1 4.38Å; W233-L259 PolarHBondContact NE1-O 3.45Å; W244-L259 HydrophobicContact CH2-CD1 3.77Å; W244-L259 HydrophobicContact CZ3-CD1 4.02Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.26Å; L259-C261 PolarHBondContact O-N 3.02Å
260T97.2Very high96.9Very high38 Ų3838.8 Ų38.823%0.23322%0.218CC..  trans-66.6127.2167.5-57.70000109.5K256 M257 I258 R266K256-T260 PolarHBondContact O-OG1 2.87Å; M257-T260 PolarHBondContact O-OG1 3.41Å; I258-T260 VanDerWaalsContact C-N 3.27Å; I258-T260 PolarHBondContact O-N 2.63Å; T260-R266 PolarHBondContact O-NE 3.3Å; T260-R266 PolarHBondContact O-NH2 2.86Å
261C95.6Very high97.1Very high11 Ų1143.5 Ų43.57%0.07423%0.231CC..SBendtrans-68.3-42.4-175.2-69.70000112.5L259 P263 R266 W303L259-C261 PolarHBondContact O-N 3.02Å; C261-P263 VanDerWaalsContact O-CD 3.3Å; C261-P263 WeakPolarHBondContact O-CD 3.12Å; C261-R266 PolarHBondContact O-NH2 3.19Å; C261-W303 HydrophobicContact CB-CE3 3.53Å; C261-W303 HydrophobicContact CB-CZ3 3.74Å
262D95.8Very high97.2Very high50 Ų5043.5 Ų43.527%0.26723%0.23SC..SBendtrans-68.9116.2171.8171.230.2000110.4L264 S265 R266D262-L264 PolarHBondContact O-N 2.97Å; D262-L264 PolarHBondContact OD1-N 3.3Å; D262-L264 VanDerWaalsContact OD1-N 3.1Å; D262-S265 PolarHBondContact O-N 3.21Å; D262-S265 VanDerWaalsContact OD2-CB 3.25Å; D262-S265 WeakPolarHBondContact OD2-CB 3.49Å; D262-S265 PolarHBondContact OD2-N 3.4Å; D262-S265 VanDerWaalsContact OD2-N 3.1Å; D262-S265 PolarHBondContact OD2-OG 3.43Å; D262-R266 PolarHBondContact O-N 3.43Å; D262-R266 VanDerWaalsContact O-N 3.09Å
263P96.9Very high97.2Very high28 Ų2846 Ų4618%0.18224%0.24CC..THydrogen-bonded Turntrans-66.5-21.9-178.927.4-35.8000113.7E190 P200 C261E190-P263 HydrophobicContact CB-CG 4.27Å; E190-P263 HydrophobicContact CG-CB 4.29Å; E190-P263 HydrophobicContact CG-CG 4.16Å; P200-P263 HydrophobicContact CB-CB 3.94Å; P200-P263 HydrophobicContact CG-CB 4.34Å; C261-P263 VanDerWaalsContact O-CD 3.3Å; C261-P263 WeakPolarHBondContact O-CD 3.12Å
264L95.9Very high97.2Very high140 Ų14051.3 Ų51.373%0.73326%0.259SS*.THydrogen-bonded Turntrans-76.4-33.5177.6-63.5177.6000112D262D262-L264 PolarHBondContact O-N 2.97Å; D262-L264 PolarHBondContact OD1-N 3.3Å; D262-L264 VanDerWaalsContact OD1-N 3.1Å
265S96.8Very high97.2Very high82 Ų8252.4 Ų52.457%0.57326%0.264SS*.THydrogen-bonded Turntrans-88.5-6.4175.5-580000113.6D262D262-S265 PolarHBondContact O-N 3.21Å; D262-S265 VanDerWaalsContact OD2-CB 3.25Å; D262-S265 WeakPolarHBondContact OD2-CB 3.49Å; D262-S265 PolarHBondContact OD2-N 3.4Å; D262-S265 VanDerWaalsContact OD2-N 3.1Å; D262-S265 PolarHBondContact OD2-OG 3.43Å
266R98.1Very high97Very high10 Ų1054.1 Ų54.14%0.03828%0.278CS..SBendtrans-69.3140.1178.3-167.8178.3-62.1148.99.9110.8E190 P200 I203 I258 T260 C261 D262E190-R266 IonicContact OE1-CZ 2.66Å; E190-R266 IonicContact OE1-NH1 2.76Å; E190-R266 PolarHBondContact OE1-NH1 2.87Å; E190-R266 IonicContact OE1-NH2 3.01Å; E190-R266 PolarHBondContact OE1-NH2 3.19Å; E190-R266 IonicContact OE2-CZ 3.29Å; E190-R266 IonicContact OE2-NH1 3.81Å; E190-R266 IonicContact OE2-NH2 3.55Å; E190-R266 PolarHBondContact OE2-NH2 2.96Å; P200-R266 PolarHBondContact O-NH1 3.14Å; I203-R266 HydrophobicContact CG2-CG 4.38Å; I258-R266 WeakPolarHBondContact O-CD 3.32Å; I258-R266 VanDerWaalsContact O-CG 3.25Å; I258-R266 WeakPolarHBondContact O-CG 3.2Å; T260-R266 PolarHBondContact O-NE 3.3Å; T260-R266 PolarHBondContact O-NH2 2.86Å; C261-R266 PolarHBondContact O-NH2 3.19Å; D262-R266 PolarHBondContact O-N 3.43Å; D262-R266 VanDerWaalsContact O-N 3.09Å
267I98.4Very high96.8Very high20 Ų2050.3 Ų50.310%0.10326%0.261CS..PPolyproline II helixtrans-56.2141.3179.2-165.2173.8000111.9I203 L254 M257 I258 I272I203-I267 HydrophobicContact CG2-CG2 4.41Å; L254-I267 HydrophobicContact CD1-CD1 4.12Å; M257-I267 HydrophobicContact CB-CB 3.86Å; M257-I267 HydrophobicContact CB-CD1 4Å; M257-I267 HydrophobicContact CB-CG1 4.45Å; M257-I267 HydrophobicContact CB-CG2 4.07Å; M257-I267 WeakPolarHBondContact O-CG2 3.39Å; M257-I267 PolarHBondContact O-N 3.16Å; M257-I267 VanDerWaalsContact O-N 3.12Å; M257-I267 HydrophobicContact SD-CD1 3.94Å; I258-I267 HydrophobicContact CB-CG2 4.27Å; I258-I267 HydrophobicContact CG1-CG2 3.59Å; I267-I272 HydrophobicContact CB-CG1 4.45Å; I267-I272 HydrophobicContact CD1-CG1 3.91Å; I267-I272 HydrophobicContact CG1-CG1 4.02Å; I267-I272 HydrophobicContact CG2-CD1 3.94Å; I267-I272 HydrophobicContact CG2-CG1 3.65Å
268T98.1Very high96.5Very high70 Ų7047.5 Ų47.543%0.42925%0.248SC..PPolyproline II helixtrans-91.1162.2176.276.20000111.7D270 Y271 I272T268-D270 PolarHBondContact O-N 3.09Å; T268-Y271 PolarHBondContact O-N 3.19Å; T268-Y271 WeakPolarHBondContact OG1-CD2 3.36Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.08Å
269M97.5Very high96.1Very high6 Ų651.6 Ų51.63%0.0327%0.273CS..Hα-helixtrans-54.4-37.7-179.6-162.562.173.300113.3I127 V130 D131 I203 Y271 I272 K273I127-M269 HydrophobicContact CD1-SD 4.2Å; I127-M269 HydrophobicContact CG2-SD 3.75Å; V130-M269 HydrophobicContact CB-CE 4.06Å; V130-M269 HydrophobicContact CG1-CE 3.57Å; D131-M269 HydrophobicContact CB-CG 3.57Å; D131-M269 HydrophobicContact CB-SD 4.11Å; D131-M269 VanDerWaalsContact OD1-CG 3.25Å; D131-M269 WeakPolarHBondContact OD1-CG 3.24Å; I203-M269 HydrophobicContact CD1-CE 4.38Å; I203-M269 HydrophobicContact CG1-CE 3.92Å; M269-Y271 VanDerWaalsContact C-N 3.33Å; M269-Y271 PolarHBondContact O-N 2.87Å; M269-I272 PolarHBondContact O-N 2.95Å; M269-I272 HydrophobicContact SD-CD1 4.43Å; M269-K273 WeakPolarHBondContact O-CE 3.29Å; M269-K273 WeakPolarHBondContact O-CG 3.47Å; M269-K273 PolarHBondContact O-N 3.47Å; M269-K273 VanDerWaalsContact O-N 3.11Å
270D96.4Very high95.5Very high87 Ų8757 Ų5747%0.46530%0.298SS..Hα-helixtrans-67.4-32.9179.5-72.2-29.5000113.3T268 K273 K274T268-D270 PolarHBondContact O-N 3.09Å; D270-K273 WeakPolarHBondContact OD1-CE 3.42Å; D270-K273 IonicContact OD1-NZ 3.44Å; D270-K273 PolarHBondContact OD1-NZ 3.46Å; D270-K274 WeakPolarHBondContact O-CD 3.5Å; D270-K274 WeakPolarHBondContact O-CG 3.5Å
271Y97.9Very high94.3Very high154 Ų15462.3 Ų62.360%0.60433%0.325SS*.Hα-helixtrans-80.5-33.9175.1-69.8-69.9000111.9T268 M269 K273 K274 H275T268-Y271 PolarHBondContact O-N 3.19Å; T268-Y271 WeakPolarHBondContact OG1-CD2 3.36Å; M269-Y271 VanDerWaalsContact C-N 3.33Å; M269-Y271 PolarHBondContact O-N 2.87Å; Y271-K273 PolarHBondContact O-N 2.85Å; Y271-K274 PolarHBondContact O-N 3.29Å; Y271-K274 VanDerWaalsContact O-N 3.15Å; Y271-H275 PolarHBondContact O-N 3.49Å; Y271-H275 VanDerWaalsContact O-N 3.07Å
272I98.2Very high92.8Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-57.6-49.6173.3-65170000110.2F123 I127 I203 L254 I258 I267 T268 M269 K274 H275 L278F123-I272 HydrophobicContact CE1-CG2 4.29Å; I127-I272 HydrophobicContact CD1-CG2 3.89Å; I127-I272 HydrophobicContact CG1-CG2 3.96Å; I127-I272 HydrophobicContact CG2-CG2 4.16Å; I203-I272 HydrophobicContact CD1-CD1 4.31Å; I203-I272 HydrophobicContact CG1-CD1 4.17Å; I203-I272 HydrophobicContact CG2-CD1 3.76Å; L254-I272 HydrophobicContact CD1-CG1 4.45Å; L254-I272 HydrophobicContact CD1-CG2 4.44Å; I258-I272 HydrophobicContact CD1-CD1 4.2Å; I258-I272 HydrophobicContact CD1-CG1 4.4Å; I258-I272 HydrophobicContact CG1-CD1 4.14Å; I258-I272 HydrophobicContact CG1-CG1 4.29Å; I267-I272 HydrophobicContact CB-CG1 4.45Å; I267-I272 HydrophobicContact CD1-CG1 3.91Å; I267-I272 HydrophobicContact CG1-CG1 4.02Å; I267-I272 HydrophobicContact CG2-CD1 3.94Å; I267-I272 HydrophobicContact CG2-CG1 3.65Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.08Å; M269-I272 PolarHBondContact O-N 2.95Å; M269-I272 HydrophobicContact SD-CD1 4.43Å; I272-K274 PolarHBondContact O-N 3.08Å; I272-K274 VanDerWaalsContact O-N 3.12Å; I272-H275 WeakPolarHBondContact O-CB 3.39Å; I272-H275 PolarHBondContact O-N 2.84Å; I272-H275 VanDerWaalsContact O-N 3.11Å; I272-L278 HydrophobicContact CG2-CD1 4.25Å; I272-L278 HydrophobicContact CG2-CD2 4.1Å
273K96.5Very high91Very high75 Ų7563.1 Ų63.133%0.32633%0.333SS..THydrogen-bonded Turntrans-59.8-23.4179.2-71.4178.2-62.6-170.50113.8I127 D131 M269 D270 Y271 T279I127-K273 HydrophobicContact CG2-CG 3.87Å; D131-K273 IonicContact OD1-NZ 2.76Å; D131-K273 IonicContact OD2-NZ 3.34Å; D131-K273 PolarHBondContact OD2-NZ 3.47Å; M269-K273 WeakPolarHBondContact O-CE 3.29Å; M269-K273 WeakPolarHBondContact O-CG 3.47Å; M269-K273 PolarHBondContact O-N 3.47Å; M269-K273 VanDerWaalsContact O-N 3.11Å; D270-K273 WeakPolarHBondContact OD1-CE 3.42Å; D270-K273 IonicContact OD1-NZ 3.44Å; D270-K273 PolarHBondContact OD1-NZ 3.46Å; Y271-K273 PolarHBondContact O-N 2.85Å; K273-T279 WeakPolarHBondContact O-CG2 3.45Å
274K96.1Very high89.1Confident148 Ų14866.8 Ų66.864%0.64335%0.351SS*.THydrogen-bonded Turntrans-97.4-9.8-179.2-66.8171.9-173.6172.30113.3D270 Y271 I272D270-K274 WeakPolarHBondContact O-CD 3.5Å; D270-K274 WeakPolarHBondContact O-CG 3.5Å; Y271-K274 PolarHBondContact O-N 3.29Å; Y271-K274 VanDerWaalsContact O-N 3.15Å; I272-K274 PolarHBondContact O-N 3.08Å; I272-K274 VanDerWaalsContact O-N 3.12Å
275H97.1Very high87Confident24 Ų2467.3 Ų67.311%0.11136%0.355CS..SBendtrans-62.8144.7-178.1-172.6-88.6000111V250 S253 L254 M257 Y271 I272 W277 L278 T279V250-H275 PolarHBondContact O-CE1 2.86Å; S253-H275 PolarHBondContact OG-CE1 2.89Å; S253-H275 PolarHBondContact OG-NE2 2.96Å; L254-H275 HydrophobicContact CD1-CB 3.94Å; M257-H275 WeakPolarHBondContact CE-NE2 3.43Å; Y271-H275 PolarHBondContact O-N 3.49Å; Y271-H275 VanDerWaalsContact O-N 3.07Å; I272-H275 WeakPolarHBondContact O-CB 3.39Å; I272-H275 PolarHBondContact O-N 2.84Å; I272-H275 VanDerWaalsContact O-N 3.11Å; H275-W277 WeakPolarHBondContact ND1-CB 3.48Å; H275-W277 PolarHBondContact ND1-N 2.85Å; H275-W277 VanDerWaalsContact ND1-N 3.13Å; H275-W277 PolarHBondContact O-N 3.29Å; H275-W277 VanDerWaalsContact O-N 3.12Å; H275-L278 PolarHBondContact O-N 3.32Å; H275-T279 PolarHBondContact O-N 2.98Å; H275-T279 PolarHBondContact O-OG1 2.86Å
276A93.8Very high84.6Confident36 Ų3670.7 Ų70.730%0.29836%0.361SS..Hα-helixtrans-51.7-40.1-17700000112.8V250 L278 T279 Q280V250-A276 HydrophobicContact CG1-CB 4.39Å; A276-L278 PolarHBondContact O-N 3.28Å; A276-T279 WeakPolarHBondContact CA-OG1 3.49Å; A276-T279 PolarHBondContact O-N 3.47Å; A276-T279 PolarHBondContact O-OG1 3.47Å; A276-Q280 WeakPolarHBondContact O-CB 3.42Å; A276-Q280 PolarHBondContact O-N 3.44Å
277W92.8Very high82Confident0 Ų071.8 Ų71.80%037%0.37CS..Hα-helixtrans-60.9-24.9176.8-162.765.2000114.7Q120 F123 L210 L214 V250 P251 L254 H275 I282Q120-W277 VanDerWaalsContact CA-CH2 3.49Å; Q120-W277 HydrophobicContact CB-CH2 4.1Å; Q120-W277 HydrophobicContact CB-CZ2 3.67Å; Q120-W277 HydrophobicContact CG-CZ2 4.21Å; Q120-W277 PolarHBondContact NE2-O 3.49Å; F123-W277 HydrophobicContact CB-CH2 3.86Å; F123-W277 HydrophobicContact CB-CZ3 3.72Å; F123-W277 HydrophobicContact CD1-CE3 4.07Å; F123-W277 HydrophobicContact CD1-CH2 4.37Å; F123-W277 AromaticContact CD1-CZ3 3.39Å; F123-W277 HydrophobicContact CD1-CZ3 3.39Å; F123-W277 HydrophobicContact CE1-CZ3 4.09Å; F123-W277 HydrophobicContact CG-CH2 4.23Å; F123-W277 AromaticContact CG-CZ3 3.65Å; F123-W277 HydrophobicContact CG-CZ3 3.65Å; L210-W277 HydrophobicContact CD1-CH2 3.21Å; L210-W277 HydrophobicContact CD1-CZ2 4.14Å; L210-W277 HydrophobicContact CD1-CZ3 3.51Å; L210-W277 HydrophobicContact CD2-CE3 4.18Å; L210-W277 HydrophobicContact CD2-CH2 4.15Å; L210-W277 HydrophobicContact CD2-CZ3 3.59Å; L210-W277 HydrophobicContact CG-CH2 4.32Å; L210-W277 HydrophobicContact CG-CZ3 4.22Å; L214-W277 HydrophobicContact CD2-CZ2 4.35Å; V250-W277 HydrophobicContact CG1-CB 3.87Å; V250-W277 HydrophobicContact CG1-CG 4.34Å; P251-W277 HydrophobicContact CB-CD2 4.08Å; P251-W277 HydrophobicContact CB-CG 4.18Å; P251-W277 HydrophobicContact CB-CZ2 4.37Å; L254-W277 HydrophobicContact CD2-CB 4.47Å; L254-W277 HydrophobicContact CD2-CE3 3.68Å; L254-W277 HydrophobicContact CD2-CZ3 4.42Å; H275-W277 WeakPolarHBondContact ND1-CB 3.48Å; H275-W277 PolarHBondContact ND1-N 2.85Å; H275-W277 VanDerWaalsContact ND1-N 3.13Å; H275-W277 PolarHBondContact O-N 3.29Å; H275-W277 VanDerWaalsContact O-N 3.12Å; W277-I282 HydrophobicContact CG-CD1 4.24Å
278L91.8Very high79.2Confident17 Ų1774.8 Ų74.89%0.08939%0.392CS..Hα-helixtrans-97.9-16.8177.5-8284.5000112.8F123 Q124 I127 L254 I272 H275 A276F123-L278 HydrophobicContact CD1-CD1 4.13Å; F123-L278 HydrophobicContact CD1-CD2 4.34Å; F123-L278 HydrophobicContact CD1-CG 4.44Å; F123-L278 HydrophobicContact CE1-CD1 4.12Å; Q124-L278 HydrophobicContact CG-CD2 4.33Å; Q124-L278 HydrophobicContact CG-CG 4.23Å; Q124-L278 PolarHBondContact NE2-O 3.28Å; I127-L278 HydrophobicContact CB-CD2 4.31Å; I127-L278 HydrophobicContact CG1-CD2 4.19Å; I127-L278 HydrophobicContact CG2-CD2 4.18Å; L254-L278 HydrophobicContact CD2-CD1 3.44Å; L254-L278 VanDerWaalsContact CD2-CD1 3.44Å; I272-L278 HydrophobicContact CG2-CD1 4.25Å; I272-L278 HydrophobicContact CG2-CD2 4.1Å; H275-L278 PolarHBondContact O-N 3.32Å; A276-L278 PolarHBondContact O-N 3.28Å
279T89.4Confident76.5Confident86 Ų8683.2 Ų83.253%0.52842%0.416SS..Hα-helixtrans-104.4-16.8-173.554.90000113.8K273 H275 A276K273-T279 WeakPolarHBondContact O-CG2 3.45Å; H275-T279 PolarHBondContact O-N 2.98Å; H275-T279 PolarHBondContact O-OG1 2.86Å; A276-T279 WeakPolarHBondContact CA-OG1 3.49Å; A276-T279 PolarHBondContact O-N 3.47Å; A276-T279 PolarHBondContact O-OG1 3.47Å
280Q84.6Confident73.4Confident114 Ų11487.2 Ų87.253%0.53344%0.441SS..SBendtrans-109.6135.1179.4-60.6178.3-4.600110.5Q120 A276 I282Q120-Q280 PolarHBondContact NE2-O 2.87Å; A276-Q280 WeakPolarHBondContact O-CB 3.42Å; A276-Q280 PolarHBondContact O-N 3.44Å; Q280-I282 PolarHBondContact O-N 3.17Å; Q280-I282 VanDerWaalsContact O-N 3.12Å
281N72.8Confident70.3Confident151 Ų15186.8 Ų86.881%0.80746%0.458SS*.  trans-72.4104.5169.1-77-22.9000108.4S283N281-S283 PolarHBondContact O-N 3.21Å
282I64.4Low67Low24 Ų2484.7 Ų84.712%0.12346%0.461CS..  trans-87.5100.1176-61.3170.4000105.8V250 W277 Q280V250-I282 HydrophobicContact CB-CD1 4.3Å; V250-I282 HydrophobicContact CG1-CD1 3.98Å; W277-I282 HydrophobicContact CG-CD1 4.24Å; Q280-I282 PolarHBondContact O-N 3.17Å; Q280-I282 VanDerWaalsContact O-N 3.12Å
283S57Low63.7Low53 Ų5393.1 Ų93.137%0.37151%0.506SS..  trans-65149.3167.754.80000109.5N281 D285 H286N281-S283 PolarHBondContact O-N 3.21Å; S283-D285 PolarHBondContact O-N 3.37Å; S283-D285 VanDerWaalsContact O-N 3.09Å; S283-H286 PolarHBondContact O-N 3.41Å; S283-H286 VanDerWaalsContact O-N 3.16Å; S283-H286 PolarHBondContact OG-CD2 3.42Å; S283-H286 VanDerWaalsContact OG-CD2 3.31Å
284D58.3Low60.6Low105 Ų10593 Ų9356%0.56151%0.514SS*.G310 helixtrans-53.7-30.3175.4-68.2-28.7000111.4I116I116-D284 VanDerWaalsContact CG2-OD1 3.22Å; I116-D284 WeakPolarHBondContact CG2-OD1 3.31Å
285D51.5Low57.4Low152 Ų15295 Ų9581%0.81352%0.523SS*.G310 helixtrans-74.2-27.1-178.3-75.5-22.5000115.1S283 C287S283-D285 PolarHBondContact O-N 3.37Å; S283-D285 VanDerWaalsContact O-N 3.09Å; D285-C287 PolarHBondContact O-N 2.95Å
286H45.6Very low54.1Low153 Ų153100.7 Ų100.771%0.70855%0.554SS**G310 helixtrans-79.72.1-178-88.7-51.3000113.9S283 S288S283-H286 PolarHBondContact O-N 3.41Å; S283-H286 VanDerWaalsContact O-N 3.16Å; S283-H286 PolarHBondContact OG-CD2 3.42Å; S283-H286 VanDerWaalsContact OG-CD2 3.31Å; H286-S288 PolarHBondContact O-N 3.1Å; H286-S288 VanDerWaalsContact O-N 3.09Å
287C44.9Very low50.8Low33 Ų33104.3 Ų104.322%0.22357%0.572CS.*  trans-85.350.5175.4-85.40000112.8H248 D285 R289H248-C287 WeakPolarHBondContact CE1-CB 3.44Å; H248-C287 VanDerWaalsContact CE1-SG 3.58Å; H248-C287 VanDerWaalsContact CG-SG 3.53Å; H248-C287 PolarHBondContact ND1-SG 3.06Å; D285-C287 PolarHBondContact O-N 2.95Å; C287-R289 PolarHBondContact O-N 3.13Å
288S38.7Very low47.7Very low82 Ų82108.9 Ų108.957%0.57360%0.603SS**  trans-63.4122.6165.137.30000109.5H286 T290H286-S288 PolarHBondContact O-N 3.1Å; H286-S288 VanDerWaalsContact O-N 3.09Å; S288-T290 PolarHBondContact O-N 2.87Å
289R41.2Very low44.7Very low247 Ų247115.9 Ų115.993%0.93264%0.64SS**  trans-64.772.8172.4-68.7169.382.4175.75.8109.7C287 G291C287-R289 PolarHBondContact O-N 3.13Å; R289-G291 VanDerWaalsContact C-N 3.32Å; R289-G291 PolarHBondContact O-N 2.76Å
290T32.3Very low41.9Very low90 Ų90116.5 Ų116.555%0.55264%0.636SS**  trans-78.889.3172.249.90000108.2S288 T292S288-T290 PolarHBondContact O-N 2.87Å; T290-T292 VanDerWaalsContact C-N 3.29Å; T290-T292 PolarHBondContact O-N 3.42Å
291G31.2Very low39.5Very low79 Ų79119.5 Ų119.581%0.81465%0.65SS**  trans-63.292.3165.600000109.5R289R289-G291 VanDerWaalsContact C-N 3.32Å; R289-G291 PolarHBondContact O-N 2.76Å
292T29Very low37.6Very low109 Ų109116.6 Ų116.667%0.66964%0.642SS**  trans-142.6114.4162.442.10000108.1T290 S294T290-T292 VanDerWaalsContact C-N 3.29Å; T290-T292 PolarHBondContact O-N 3.42Å; T292-S294 VanDerWaalsContact C-N 3.28Å; T292-S294 PolarHBondContact O-N 2.7Å
293N29.8Very low36Very low178 Ų178120.6 Ų120.695%0.95266%0.655SS**  trans-51.486173-78.4-35000111
294S30.1Very low34.9Very low72 Ų72122.7 Ų122.750%0.50367%0.67SS.*  trans-91.9106.2162.980.10000107.3T292 L296T292-S294 VanDerWaalsContact C-N 3.28Å; T292-S294 PolarHBondContact O-N 2.7Å; S294-L296 PolarHBondContact O-N 2.94Å
295K29.3Very low33.6Very low190 Ų190121.8 Ų121.883%0.82667%0.671SS**  trans-65.581.3175.3-83.2178.5174.3175.90109.3T297K295-T297 HydrophobicContact CB-CG2 4.23Å; K295-T297 PolarHBondContact O-N 3.07Å; K295-T297 VanDerWaalsContact O-N 3.12Å
296L27.2Very low32.7Very low144 Ų144119.8 Ų119.875%0.75467%0.669SS**  trans-78.379.6157.4-84.3147.4000107.3S294 C298S294-L296 PolarHBondContact O-N 2.94Å; L296-C298 PolarHBondContact O-N 3.48Å
297T26.1Very low31.7Very low112 Ų112122.6 Ų122.669%0.68768%0.679SS**  trans-76.996.5172.951.60000108.3K295K295-T297 HydrophobicContact CB-CG2 4.23Å; K295-T297 PolarHBondContact O-N 3.07Å; K295-T297 VanDerWaalsContact O-N 3.12Å
298C26.9Very low31Very low95 Ų95130.7 Ų130.764%0.64271%0.71SS**  trans-74.3127.4156.4470000107.7L296 F300L296-C298 PolarHBondContact O-N 3.48Å; C298-F300 PolarHBondContact O-N 3Å
299N28.8Very low30.4Very low164 Ų164132.4 Ų132.488%0.87772%0.722SS**  trans-57.6107.8174.8-92-5.8000108.7
300F31.3Very low29.7Very low100 Ų100129.4 Ų129.444%0.43972%0.716SS.*  trans-93.2101.8180-172.1-90.9000108.6S234 K235 A237 C298 S302S234-F300 VanDerWaalsContact O-CZ 3.25Å; S234-F300 WeakPolarHBondContact O-CZ 3.45Å; K235-F300 WeakPolarHBondContact O-CE1 3.47Å; A237-F300 HydrophobicContact CB-CE2 4.35Å; C298-F300 PolarHBondContact O-N 3Å; F300-S302 PolarHBondContact O-N 3.41Å
301E32.9Very low29.5Very low177 Ų177132.5 Ų132.583%0.82773%0.729SS**  trans-78.7116.1169.8-70.5-170167.500109.2W303E301-W303 PolarHBondContact O-N 3.2Å; E301-W303 VanDerWaalsContact O-N 3.14Å
302S32.6Very low29.2Very low90 Ų90137.2 Ų137.263%0.62973%0.729SS**  trans-59.5112177.3157.70000110.6F300 S304F300-S302 PolarHBondContact O-N 3.41Å; S302-S304 PolarHBondContact O-N 3.22Å
303W30.3Very low29Very low108 Ų108134.7 Ų134.741%0.40973%0.725SS.*  trans-78.7102.2173.4-164.535.4000110.5P189 L193 C261 E301P189-W303 HydrophobicContact CB-CZ3 4.24Å; P189-W303 HydrophobicContact CG-CZ3 4.25Å; L193-W303 HydrophobicContact CD1-CH2 3.31Å; L193-W303 HydrophobicContact CD1-CZ2 3.54Å; L193-W303 HydrophobicContact CD1-CZ3 4.24Å; C261-W303 HydrophobicContact CB-CE3 3.53Å; C261-W303 HydrophobicContact CB-CZ3 3.74Å; E301-W303 PolarHBondContact O-N 3.2Å; E301-W303 VanDerWaalsContact O-N 3.14Å
304S34.5Very low28.8Very low97 Ų97135.4 Ų135.468%0.67872%0.723SS**  trans-89.9112.3174.459.70000111S302 S306S302-S304 PolarHBondContact O-N 3.22Å; S304-S306 PolarHBondContact O-N 2.87Å
305C31.2Very low28.5Very low85 Ų85134.6 Ų134.657%0.57472%0.721SS**  trans-65.1114.8174.8-164.60000110.5K307C305-K307 PolarHBondContact O-N 3.12Å; C305-K307 VanDerWaalsContact O-N 3.1Å
306S32.4Very low28.2Very low110 Ų110131 Ų13177%0.76971%0.714SS**  trans-63.3111.1174.6-83.60000110.4S304 K308S304-S306 PolarHBondContact O-N 2.87Å; S306-K308 PolarHBondContact O-N 3.22Å
307K25.8Very low28.2Very low212 Ų212131.7 Ų131.792%0.92271%0.708SS**  trans-56.4106.2171.8-76.3175.3175.4170.10110C305C305-K307 PolarHBondContact O-N 3.12Å; C305-K307 VanDerWaalsContact O-N 3.1Å
308K28.9Very low28.2Very low204 Ų204133.8 Ų133.889%0.88771%0.712SS**  trans-116.7114.9156.6-81.2-168.4177.6-178.70110.1S306S306-K308 PolarHBondContact O-N 3.22Å
309S27.5Very low28.3Very low117 Ų117132.6 Ų132.682%0.81870%0.704SS**  trans46.2119.2159.3-153.50000119.6D311S309-D311 PolarHBondContact O-N 3.25Å
310K25.7Very low28.1Very low185 Ų185130.1 Ų130.180%0.80469%0.688SS**  trans-56.6117.9161.9-68.2173.8172.7179.10109.2
311D27.3Very low27.9Very low155 Ų155128.6 Ų128.683%0.82969%0.688SS**  trans-138.3113.4151.2-138.1-8.4000107.9S309 G313S309-D311 PolarHBondContact O-N 3.25Å; D311-G313 PolarHBondContact O-N 3.29Å
312H26Very low27.5Very low177 Ų177125.4 Ų125.482%0.81968%0.683SS**  trans-8067.6-178.6-73.645.9000108.7
313G24.6Very low27.2Very low57 Ų57128.7 Ų128.759%0.58869%0.688SS**  trans-102.8117.6166.700000108.8D311 A315D311-G313 PolarHBondContact O-N 3.29Å; G313-A315 PolarHBondContact O-N 3.39Å
314Q24.6Very low26.9Very low192 Ų192134 Ų13490%0.89771%0.709SS**  trans-47110.5167.3-80171.9-26.800108.7V316Q314-V316 PolarHBondContact O-N 3.2Å
315A24.9Very low26.4Very low55 Ų55134.7 Ų134.746%0.45571%0.714SS.*  trans-72.296.2-174.400000109.6G313 Y317G313-A315 PolarHBondContact O-N 3.39Å; A315-Y317 HydrophobicContact CB-CD1 4.49Å; A315-Y317 HydrophobicContact CB-CD2 4.29Å; A315-Y317 HydrophobicContact CB-CE1 3.78Å; A315-Y317 HydrophobicContact CB-CE2 3.55Å; A315-Y317 VanDerWaalsContact CB-OH 3.25Å; A315-Y317 WeakPolarHBondContact CB-OH 3.35Å; A315-Y317 WeakPolarHBondContact O-CD2 3.43Å; A315-Y317 WeakPolarHBondContact O-CE2 3.43Å; A315-Y317 PolarHBondContact O-N 3.27Å
316V22.2Very low26.1Very low115 Ų115140.8 Ų140.870%0.69773%0.725SS**  trans-80.297.4171-177.40000107.2Q314 M318Q314-V316 PolarHBondContact O-N 3.2Å; V316-M318 PolarHBondContact O-N 3.24Å
317Y26.6Very low25.7Very low158 Ų158144.2 Ų144.262%0.6273%0.729SS**  trans-79.989.6-176.5-57.8-80.4000110.9A315A315-Y317 HydrophobicContact CB-CD1 4.49Å; A315-Y317 HydrophobicContact CB-CD2 4.29Å; A315-Y317 HydrophobicContact CB-CE1 3.78Å; A315-Y317 HydrophobicContact CB-CE2 3.55Å; A315-Y317 VanDerWaalsContact CB-OH 3.25Å; A315-Y317 WeakPolarHBondContact CB-OH 3.35Å; A315-Y317 WeakPolarHBondContact O-CD2 3.43Å; A315-Y317 WeakPolarHBondContact O-CE2 3.43Å; A315-Y317 PolarHBondContact O-N 3.27Å
318M26.9Very low25.6Very low157 Ų157143.8 Ų143.877%0.77373%0.727SS**  trans-106.1137.9158-62.6-159.478.900108.4V316V316-M318 PolarHBondContact O-N 3.24Å
319S28.2Very low25.3Very low69 Ų69145.6 Ų145.648%0.48373%0.729SS.*  trans-168.5109.214727.30000112T179T179-S319 VanDerWaalsContact CG2-O 3.3Å; T179-S319 WeakPolarHBondContact CG2-O 3.41Å
320Q25Very low25.3Very low113 Ų113149.9 Ų149.953%0.52873%0.733SS.*PPolyproline II helixtrans-66.7151154.9-63.3-175.3-2800108.7N58N58-Q320 VanDerWaalsContact CB-NE2 3.35Å; N58-Q320 PolarHBondContact ND2-OE1 3.06Å
321P27.6Very low25.1Very low68 Ų68146.5 Ų146.544%0.44273%0.732SS.*PPolyproline II helixtrans-67146.3178.228.7-32.2000109.9Q323P321-Q323 PolarHBondContact O-N 3.24Å
322P24.7Very low25.3Very low110 Ų110144.8 Ų144.871%0.71473%0.73SS**PPolyproline II helixtrans-60.2134.8176.9-1527.8000109.8Y324P322-Y324 PolarHBondContact O-N 2.82Å; P322-Y324 VanDerWaalsContact O-N 3.15Å
323Q25.4Very low25.1Very low159 Ų159143.8 Ų143.874%0.74373%0.73SS**PPolyproline II helixtrans-56.9118174.6-68.9-176.3-35.200109.1P321 S325P321-Q323 PolarHBondContact O-N 3.24Å; Q323-S325 PolarHBondContact O-N 3.11Å
324Y24.7Very low25.1Very low219 Ų219147.5 Ų147.586%0.85975%0.746SS**PPolyproline II helixtrans-56.5124.5162.8-110-93.9000107.4P322 R326P322-Y324 PolarHBondContact O-N 2.82Å; P322-Y324 VanDerWaalsContact O-N 3.15Å; Y324-R326 PolarHBondContact O-N 3.13Å
325S23.1Very low25.2Very low111 Ų111145.9 Ų145.978%0.77674%0.743SS**  trans-40.5103.1174.945.40000111.2Q323 E327Q323-S325 PolarHBondContact O-N 3.11Å; S325-E327 PolarHBondContact O-N 3.11Å
326R25.3Very low26.3Very low213 Ų213147.7 Ų147.780%0.80475%0.751SS**  trans-79.2112.9175.1-163.1176.2-175.1172.31.1107.4E57 Y324 K328E57-R326 IonicContact OE1-NH1 2.82Å; Y324-R326 PolarHBondContact O-N 3.13Å; R326-K328 PolarHBondContact O-N 2.86Å
327E24.6Very low26.4Very low183 Ų183149.5 Ų149.586%0.85576%0.756SS**  trans-56.3121.9168.4-73.2-179152.600110S325 R329S325-E327 PolarHBondContact O-N 3.11Å; E327-R329 PolarHBondContact O-N 3.15Å
328K22.9Very low26.4Very low203 Ų203149.9 Ų149.988%0.88377%0.769SS**  trans7.9103.2159.7-65.5177.9178178.30116R326R326-K328 PolarHBondContact O-N 2.86Å
329R24.4Very low26.2Very low242 Ų242151.1 Ų151.191%0.91377%0.773SS**  trans-137.5126.9143.3-83.8-171.9-165.31597.1110.7E327E327-R329 PolarHBondContact O-N 3.15Å
330F26.4Very low25.9Very low207 Ų207152.8 Ų152.891%0.90879%0.785SS**  trans-41.2132.9-178.9-75.2-98.8000115.2
331S22.3Very low26Very low113 Ų113153.6 Ų153.679%0.7980%0.797SS**  trans-68.8147.9162.5-49.40000111.2
332P29.9Very low25.7Very low120 Ų120160.7 Ų160.778%0.77982%0.821SS**  trans-117.7139.913830.3-17.8000110.4
333D22.9Very low25.6Very low155 Ų155166.2 Ų166.283%0.82983%0.828SS**  trans-53.4140.9-179.3-56.1-61.8000113.8
334C24.6Very low25.6Very low136 Ų136164.3 Ų164.392%0.91983%0.83SS**  trans-159.7109.3148.7-87.30000107.6
335D26.4Very low25.6Very low157 Ų157165.4 Ų165.484%0.8483%0.832SS**  trans-85.9-176178.3-135.6-6000110.6
336P47.5Very low25.7Very low94 Ų94165.9 Ų165.961%0.6183%0.83SS**  -107.7174.4-13033.9-14000113.3
337D25.3Very low25.7Very low153 Ų153161.7 Ų161.782%0.81882%0.824SS**  trans160.6102.6136.9-81.6-21.7000110.1
338N27.2Very low25.9Very low165 Ų165158 Ų15888%0.88281%0.814SS**  trans-161.197.6141.1-133-13.9000111.1
339E21Very low26.1Very low184 Ų184151.9 Ų151.986%0.8679%0.794SS**  trans-66.3130.4155.9-81.2-174.2131.300109.6
340S23.1Very low26.6Very low104 Ų104142 Ų14273%0.72777%0.768SS**  163.3146.8120.255.30000112.7
341T26.4Very low26.8Very low129 Ų129133.2 Ų133.279%0.79173%0.73SS**  trans81.376.6167.364.30000118.2R343T341-R343 PolarHBondContact O-N 2.95Å; T341-R343 VanDerWaalsContact O-N 3.15Å
342K22.1Very low27.4Very low218 Ų218128 Ų12895%0.94869%0.693SS**  trans-59.9103.9157-69.2175.9178.6172.90110
343R23.2Very low28.5Very low225 Ų225123.1 Ų123.185%0.84966%0.66SS**  trans-91.1147.7157.5-79.1-174.4179-170.50.3110T341 R345T341-R343 PolarHBondContact O-N 2.95Å; T341-R343 VanDerWaalsContact O-N 3.15Å; R343-R345 PolarHBondContact O-N 3.17Å
344P24.7Very low29.6Very low120 Ų120116.2 Ų116.278%0.77962%0.624SS**  trans-68.8130.6-167.7-8.424000110.9T346P344-T346 PolarHBondContact O-N 3.18Å
345R23.9Very low30.6Very low242 Ų242110 Ų11091%0.91358%0.581SS**  trans-73.9106.1178.8-67.6176.8174.3175.8-1.8108.9R343R343-R345 PolarHBondContact O-N 3.17Å
346T25Very low31.3Very low120 Ų120102.6 Ų102.674%0.73654%0.541SS*.  trans-85.2133.4173.749.70000111.5P344P344-T346 PolarHBondContact O-N 3.18Å
347D26.3Very low31.5Very low126 Ų12698.8 Ų98.867%0.67452%0.517SS*.  trans-56.8131.8-170.4-61.8-54.8000114.8T349 K452D347-T349 PolarHBondContact O-N 2.99Å; D347-K452 PolarHBondContact O-NZ 3.5Å
348T29.1Very low32.5Very low104 Ų10493.2 Ų93.264%0.63849%0.487SS*.  trans-102.976.4-168.9-41.70000111.3
349T26.9Very low33.1Very low75 Ų7586.7 Ų86.746%0.4645%0.452SS..  trans-93.4148.9163.748.70000110.4D347 I351D347-T349 PolarHBondContact O-N 2.99Å; T349-I351 WeakPolarHBondContact O-CG1 3.12Å
350G33.5Very low34.2Very low36 Ų3680.8 Ų80.837%0.37143%0.426SS..  trans-38.6129.7-164.300000115.9
351I31.9Very low35.2Very low21 Ų2176.7 Ų76.711%0.10840%0.396CS..BIsolated β-bridgetrans-109.1141.2-174.5-57.1161.5000108.6E28 S30 T349 F353 S451 K452E28-I351 WeakPolarHBondContact O-CG2 3.4Å; S30-I351 VanDerWaalsContact CA-CD1 3.49Å; T349-I351 WeakPolarHBondContact O-CG1 3.12Å; I351-F353 WeakPolarHBondContact O-CD2 3.46Å; I351-F353 WeakPolarHBondContact O-CE2 3.2Å; I351-S451 WeakPolarHBondContact CG2-O 3.37Å; I351-K452 HydrophobicContact CG1-CD 4.31Å; I351-K452 HydrophobicContact CG1-CG 4.25Å
352S35.5Very low35.9Very low4 Ų471.3 Ų71.33%0.02836%0.363CS..  trans-88.5142.9-177.4149.50000110.5E102E102-S352 PolarHBondContact OE1-OG 2.88Å
353F51.4Low36.6Very low18 Ų1863.5 Ų63.58%0.07933%0.331CS..  trans-114.556.1-172.3-68-83.7000111.1V34 D160 I351V34-F353 HydrophobicContact CG2-CB 4.32Å; V34-F353 HydrophobicContact CG2-CD1 3.8Å; D160-F353 HydrophobicContact CB-CD2 4.01Å; D160-F353 HydrophobicContact CB-CE2 4.45Å; D160-F353 VanDerWaalsContact CG-CD2 3.4Å; D160-F353 WeakPolarHBondContact OD1-CE2 3.39Å; D160-F353 VanDerWaalsContact OD2-CD2 3.23Å; D160-F353 WeakPolarHBondContact OD2-CD2 3.28Å; D160-F353 WeakPolarHBondContact OD2-CE2 3.39Å; I351-F353 WeakPolarHBondContact O-CD2 3.46Å; I351-F353 WeakPolarHBondContact O-CE2 3.2Å
354S45.9Very low37.2Very low9 Ų958.1 Ų58.16%0.06332%0.318CS..  trans-54.4150-170.466.70000114.4L26 G27 E102L26-S354 CarbonylContact C-O 3.09Å; L26-S354 WeakPolarHBondContact CA-O 3.19Å; L26-S354 WeakPolarHBondContact CB-O 3.49Å; L26-S354 CarbonylContact O-C 3.56Å; L26-S354 VanDerWaalsContact O-C 3.29Å; L26-S354 PolarHBondContact O-OG 3.27Å; G27-S354 PolarHBondContact N-O 3.07Å; G27-S354 VanDerWaalsContact N-O 3.1Å; E102-S354 WeakPolarHBondContact OE1-CA 3.26Å; E102-S354 WeakPolarHBondContact OE1-CB 3.35Å; E102-S354 PolarHBondContact OE1-N 3.34Å
355Q45.8Very low37.5Very low6 Ų657.4 Ų57.43%0.02832%0.316CS..  trans-116.6130.9164.4-59.7-170.76.200109.2L26 Y97 L149L26-Q355 HydrophobicContact CB-CB 4.48Å; L26-Q355 HydrophobicContact CB-CG 4.25Å; L26-Q355 HydrophobicContact CD1-CB 4.08Å; L26-Q355 HydrophobicContact CD1-CG 3.72Å; Y97-Q355 HydrophobicContact CE2-CB 4.16Å; L149-Q355 HydrophobicContact CD1-CG 4.23Å
356P42.2Very low37.8Very low1 Ų148.8 Ų48.81%0.00629%0.293CS..  trans-66.2156173.926.4-31.6000109.6L26 Y97 L362L26-P356 HydrophobicContact CD2-CG 3.23Å; L26-P356 HydrophobicContact CG-CG 4.38Å; Y97-P356 PolarHBondContact OH-O 3.48Å; P356-L362 HydrophobicContact CG-CD1 3.73Å; P356-L362 HydrophobicContact CG-CG 4.39Å
357T50.3Low37.8Very low15 Ų1552.9 Ų52.99%0.09230%0.304CS..SBendtrans-96.43.3-159.3-26.50000114.1S99 E100 R384S99-T357 CarbonylContact O-C 3.49Å; S99-T357 WeakPolarHBondContact O-CA 3.4Å; E100-T357 VanDerWaalsContact C-CG2 3.48Å; T357-R384 PolarHBondContact OG1-NH1 3.35Å
358N47.2Very low38Very low35 Ų3550.6 Ų50.619%0.18730%0.302CS..  trans-167.8137.9176-161.6-41.6000110D360 N361N358-D360 VanDerWaalsContact C-N 3.31Å; N358-D360 PolarHBondContact O-N 2.99Å; N358-D360 PolarHBondContact OD1-N 3.42Å; N358-N361 VanDerWaalsContact CB-ND2 3.27Å; N358-N361 WeakPolarHBondContact CB-ND2 3.36Å; N358-N361 WeakPolarHBondContact O-CB 3.35Å; N358-N361 PolarHBondContact O-N 3.15Å
359L39.9Very low37.9Very low28 Ų2854 Ų5415%0.14732%0.315CS..G310 helixtrans-59.7-38.217517856.2000112.5V23 L36 V38 N361 L362 L363V23-L359 HydrophobicContact CG1-CD1 4.27Å; V23-L359 HydrophobicContact CG2-CD1 4.25Å; L36-L359 HydrophobicContact CD2-CD1 3.79Å; V38-L359 HydrophobicContact CB-CD1 4.29Å; V38-L359 HydrophobicContact CG1-CD2 4.11Å; V38-L359 HydrophobicContact CG2-CD1 3.28Å; V38-L359 HydrophobicContact CG2-CD2 3.92Å; V38-L359 HydrophobicContact CG2-CG 4.23Å; L359-N361 PolarHBondContact O-N 3.21Å; L359-L362 PolarHBondContact O-N 3.26Å; L359-L363 HydrophobicContact CD1-CD1 4.08Å; L359-L363 HydrophobicContact CD1-CG 4.05Å; L359-L363 HydrophobicContact CD2-CD1 4.17Å; L359-L363 HydrophobicContact CG-CD1 3.72Å; L359-L363 HydrophobicContact CG-CG 4.17Å; L359-L363 PolarHBondContact O-N 3.03Å; L359-L363 VanDerWaalsContact O-N 3.16Å
360D43.2Very low38Very low60 Ų6056.4 Ų56.432%0.32133%0.334SS..G310 helixtrans-65.6-22.9-179.7-67.9-30.4000112.5N358 L362 S377N358-D360 VanDerWaalsContact C-N 3.31Å; N358-D360 PolarHBondContact O-N 2.99Å; N358-D360 PolarHBondContact OD1-N 3.42Å; D360-L362 PolarHBondContact O-N 3.32Å; D360-S377 WeakPolarHBondContact OD2-CB 3.44Å
361N43.9Very low37.8Very low18 Ų1859.4 Ų59.410%0.09635%0.349CS..G310 helixtrans-70.1-20173.1-68.3-51000112.9N358 L359 L381 R387N358-N361 VanDerWaalsContact CB-ND2 3.27Å; N358-N361 WeakPolarHBondContact CB-ND2 3.36Å; N358-N361 WeakPolarHBondContact O-CB 3.35Å; N358-N361 PolarHBondContact O-N 3.15Å; L359-N361 PolarHBondContact O-N 3.21Å; N361-L381 WeakPolarHBondContact OD1-CD1 3.32Å; N361-L381 WeakPolarHBondContact OD1-CG 3.48Å; N361-R387 PolarHBondContact ND2-NH1 3.28Å; N361-R387 PolarHBondContact ND2-NH2 3.48Å; N361-R387 PolarHBondContact OD1-NH1 3.3Å
362L43Very low37.7Very low17 Ų1767 Ų679%0.08938%0.384CS..THydrogen-bonded Turntrans-101.1-28.8-178-70.7165.7000112V23 L26 L36 P356 L359 D360 L364 S365V23-L362 HydrophobicContact CB-CB 4.17Å; V23-L362 HydrophobicContact CB-CD1 4.35Å; V23-L362 HydrophobicContact CG1-CB 3.37Å; V23-L362 HydrophobicContact CG1-CD1 4.39Å; V23-L362 HydrophobicContact CG1-CG 4.46Å; L26-L362 HydrophobicContact CD2-CD1 4.36Å; L36-L362 HydrophobicContact CB-CD1 4.2Å; L36-L362 HydrophobicContact CD2-CD1 3.32Å; L36-L362 HydrophobicContact CG-CD1 4.36Å; P356-L362 HydrophobicContact CG-CD1 3.73Å; P356-L362 HydrophobicContact CG-CG 4.39Å; L359-L362 PolarHBondContact O-N 3.26Å; D360-L362 PolarHBondContact O-N 3.32Å; L362-L364 VanDerWaalsContact C-N 3.26Å; L362-L364 PolarHBondContact O-N 2.76Å; L362-S365 PolarHBondContact O-OG 3.44Å
363L36Very low37.4Very low53 Ų5373.6 Ų73.628%0.27742%0.424SS..G310 helixtrans-75.1-1.5-176.2-72.1174.8000115.5V23 L359 S365 S366V23-L363 HydrophobicContact CG1-CD2 3.84Å; V23-L363 HydrophobicContact CG1-CG 4.24Å; L359-L363 HydrophobicContact CD1-CD1 4.08Å; L359-L363 HydrophobicContact CD1-CG 4.05Å; L359-L363 HydrophobicContact CD2-CD1 4.17Å; L359-L363 HydrophobicContact CG-CD1 3.72Å; L359-L363 HydrophobicContact CG-CG 4.17Å; L359-L363 PolarHBondContact O-N 3.03Å; L359-L363 VanDerWaalsContact O-N 3.16Å; L363-S365 PolarHBondContact O-N 2.95Å; L363-S366 PolarHBondContact O-N 3.23Å; L363-S366 VanDerWaalsContact O-N 3.11Å
364L35.6Very low36.4Very low112 Ų11278.5 Ų78.559%0.58646%0.46SS*.G310 helixtrans-69.52.8173.8-75.7169.4000114.2L362 L378 M440L362-L364 VanDerWaalsContact C-N 3.26Å; L362-L364 PolarHBondContact O-N 2.76Å; L364-L378 HydrophobicContact CD1-CD1 4.46Å; L364-M440 HydrophobicContact CD1-CE 3.53Å; L364-M440 HydrophobicContact CD1-SD 4.01Å
365S31.6Very low35.7Very low106 Ų10682.6 Ų82.674%0.74149%0.485SS*.G310 helixtrans-100-4.2169.362.30000114.8L362 L363L362-S365 PolarHBondContact O-OG 3.44Å; L363-S365 PolarHBondContact O-N 2.95Å
366S29Very low35.2Very low61 Ų6186.3 Ų86.343%0.42751%0.508SS..SBendtrans-120114.7172.568.40000111.1L363 A368L363-S366 PolarHBondContact O-N 3.23Å; L363-S366 VanDerWaalsContact O-N 3.11Å; S366-A368 PolarHBondContact O-N 3.25Å
367Q26.2Very low34.9Very low206 Ų20689.4 Ų89.496%0.96353%0.53SS*.  trans-64.381.9167.1-68.1-178.1-10.100108.9
368A29.7Very low34.2Very low78 Ų7893 Ų9365%0.64555%0.549SS*.  trans-103.9103.7165.400000107.7S366 C370S366-A368 PolarHBondContact O-N 3.25Å; A368-C370 PolarHBondContact O-N 2.99Å
369I26.6Very low33.4Very low174 Ų17499 Ų9989%0.89258%0.575SS**  trans-57.1105.6171.9-62.4160.6000107.4
370C30Very low33.1Very low127 Ų127104.1 Ų104.186%0.85860%0.596SS**  trans-119.2116.3169.5-137.10000109.1A368A368-C370 PolarHBondContact O-N 2.99Å
371S29.3Very low32.7Very low99 Ų99103.3 Ų103.369%0.69259%0.592SS**  trans-78.5134.4-18049.40000111.6
372Q28.3Very low32.5Very low180 Ų180106 Ų10684%0.84161%0.609SS**  trans6495.7154.5-56-170.126.900118.2
373T30.9Very low32.7Very low143 Ų143115.2 Ų115.288%0.87765%0.648SS**  175.8124.8110.930.70000109.1T375T373-T375 PolarHBondContact O-N 3.43Å
374S28.7Very low34.1Very low120 Ų120114.1 Ų114.184%0.83964%0.64SS**  trans-89.494.1-158.849.80000113.1
375T31.3Very low35.7Very low95 Ų95110.8 Ų110.858%0.58362%0.622SS**SBendtrans-128.1121.5135.9540000104T373 S377T373-T375 PolarHBondContact O-N 3.43Å; T375-S377 PolarHBondContact O-N 3.25Å
376T35.1Very low38.1Very low84 Ų84105.8 Ų105.852%0.51559%0.587SS.*  trans-56.9121.7-17063.80000108.3L378 E379T376-L378 PolarHBondContact O-N 3.5Å; T376-E379 PolarHBondContact O-N 2.85Å; T376-E379 WeakPolarHBondContact OG1-CG 3.42Å
377S36.4Very low40.9Very low66 Ų66104.3 Ų104.346%0.46257%0.572SS.*THydrogen-bonded Turntrans-48.9-22.8175.4-51.10000112.2D360 T375 K380D360-S377 WeakPolarHBondContact OD2-CB 3.44Å; T375-S377 PolarHBondContact O-N 3.25Å; S377-K380 PolarHBondContact O-N 3.49Å
378L36.3Very low43.9Very low92 Ų9294.7 Ų94.748%0.48253%0.528SS..THydrogen-bonded Turntrans-69.8-31.8176-131.985000115.2L364 T376 K380 L381 M440L364-L378 HydrophobicContact CD1-CD1 4.46Å; T376-L378 PolarHBondContact O-N 3.5Å; L378-K380 PolarHBondContact O-N 3.06Å; L378-L381 HydrophobicContact CD1-CD1 4.32Å; L378-L381 HydrophobicContact CG-CD1 4.12Å; L378-L381 WeakPolarHBondContact O-CB 3.44Å; L378-L381 PolarHBondContact O-N 3.15Å; L378-M440 HydrophobicContact CD1-SD 4.28Å; L378-M440 HydrophobicContact CD2-SD 4.43Å
379E31.2Very low46.8Very low160 Ų16092.7 Ų92.775%0.74851%0.509SS*.THydrogen-bonded Turntrans-69.9-20174.7-81.4176.3171.500111.9T376 L381T376-E379 PolarHBondContact O-N 2.85Å; T376-E379 WeakPolarHBondContact OG1-CG 3.42Å; E379-L381 VanDerWaalsContact C-N 3.25Å; E379-L381 PolarHBondContact O-N 3.31Å
380K33.6Very low49.9Very low135 Ų13584.4 Ų84.459%0.58747%0.466SS*.THydrogen-bonded Turntrans-81.96.5169.1-65.8-176.7-178.21760113.5S377 L378 V382S377-K380 PolarHBondContact O-N 3.49Å; L378-K380 PolarHBondContact O-N 3.06Å; K380-V382 VanDerWaalsContact C-N 3.3Å; K380-V382 PolarHBondContact O-N 2.86Å
381L34.1Very low52.8Low43 Ų4383.6 Ų83.623%0.22545%0.45CS..  trans-59.8100.6160.5-104.680.2000107.4N361 L378 E379 K383 L445N361-L381 WeakPolarHBondContact OD1-CD1 3.32Å; N361-L381 WeakPolarHBondContact OD1-CG 3.48Å; L378-L381 HydrophobicContact CD1-CD1 4.32Å; L378-L381 HydrophobicContact CG-CD1 4.12Å; L378-L381 WeakPolarHBondContact O-CB 3.44Å; L378-L381 PolarHBondContact O-N 3.15Å; E379-L381 VanDerWaalsContact C-N 3.25Å; E379-L381 PolarHBondContact O-N 3.31Å; L381-K383 PolarHBondContact O-N 3.46Å; L381-K383 VanDerWaalsContact O-N 3.11Å; L381-L445 HydrophobicContact CD2-CD2 3.98Å
382V40.1Very low55.8Low76 Ų7680.7 Ų80.746%0.46143%0.426SS..  trans-51.9124.9166.1-177.60000106.5K380 R384K380-V382 VanDerWaalsContact C-N 3.3Å; K380-V382 PolarHBondContact O-N 2.86Å; V382-R384 PolarHBondContact O-N 3.25Å
383K47Very low58.8Low210 Ų21073.9 Ų73.991%0.91340%0.404SS*.  trans-56.188.8177.1-87.5179.9176172.20108.9L381 M385L381-K383 PolarHBondContact O-N 3.46Å; L381-K383 VanDerWaalsContact O-N 3.11Å; K383-M385 PolarHBondContact O-N 2.89Å
384R64.9Low61.6Low29 Ų2968.9 Ų68.911%0.10937%0.372CS..  trans-79.4122.7171.7-160.9169.1178161.7-10.3107D105 T357 V382 T386 R387D105-R384 VanDerWaalsContact CG-CZ 3.48Å; D105-R384 IonicContact OD1-CZ 3.98Å; D105-R384 IonicContact OD1-NE 2.73Å; D105-R384 PolarHBondContact OD1-NE 3.44Å; D105-R384 VanDerWaalsContact OD1-NE 3.11Å; D105-R384 IonicContact OD1-NH2 3.26Å; D105-R384 PolarHBondContact OD1-NH2 3.12Å; D105-R384 IonicContact OD2-CZ 2.68Å; D105-R384 IonicContact OD2-NE 2.66Å; D105-R384 IonicContact OD2-NH1 3.53Å; D105-R384 IonicContact OD2-NH2 2.77Å; D105-R384 PolarHBondContact OD2-NH2 3.05Å; T357-R384 PolarHBondContact OG1-NH1 3.35Å; V382-R384 PolarHBondContact O-N 3.25Å; R384-T386 PolarHBondContact O-N 3.08Å; R384-R387 HydrophobicContact CB-CG 4.27Å; R384-R387 PolarHBondContact O-N 3.42Å; R384-R387 VanDerWaalsContact O-N 3.15Å
385M68.9Low64.6Low42 Ų4268.5 Ų68.521%0.20737%0.365CS..THydrogen-bonded Turntrans-51.4-34.3-174.4176.2-173.8152.100112.7K383 R387 K459 F462 L463K383-M385 PolarHBondContact O-N 2.89Å; M385-R387 VanDerWaalsContact C-N 3.3Å; M385-R387 PolarHBondContact O-N 3.42Å; M385-K459 HydrophobicContact CE-CB 4.2Å; M385-K459 HydrophobicContact CE-CD 4.38Å; M385-K459 HydrophobicContact CE-CG 3.72Å; M385-K459 HydrophobicContact SD-CD 4.08Å; M385-K459 HydrophobicContact SD-CG 3.96Å; M385-F462 HydrophobicContact CE-CD1 4.29Å; M385-F462 WeakPolarHBondContact O-CE1 3.41Å; M385-F462 VanDerWaalsContact O-CZ 3.23Å; M385-F462 WeakPolarHBondContact O-CZ 3.43Å; M385-L463 HydrophobicContact CE-CD1 3.85Å; M385-L463 HydrophobicContact CE-CD2 3.69Å; M385-L463 HydrophobicContact CE-CG 3.57Å
386T82.7Confident67.5Low1 Ų168.6 Ų68.61%0.00636%0.361CS..THydrogen-bonded Turntrans-89.521.2-173.859.60000114.5R384 F448 F458 K459 F462R384-T386 PolarHBondContact O-N 3.08Å; T386-F448 WeakPolarHBondContact CB-O 3.18Å; T386-F448 WeakPolarHBondContact O-CB 3.25Å; T386-F448 WeakPolarHBondContact O-CD2 3.32Å; T386-F448 PolarHBondContact O-N 3.42Å; T386-F448 VanDerWaalsContact O-N 3.09Å; T386-F448 PolarHBondContact OG1-O 2.81Å; T386-F448 VanDerWaalsContact OG1-O 3.08Å; T386-F458 HydrophobicContact CG2-CE1 3.82Å; T386-F458 HydrophobicContact CG2-CZ 4.21Å; T386-K459 HydrophobicContact CG2-CG 4.48Å; T386-F462 HydrophobicContact CG2-CB 4.39Å; T386-F462 HydrophobicContact CG2-CD1 4.02Å; T386-F462 HydrophobicContact CG2-CD2 4.31Å; T386-F462 HydrophobicContact CG2-CE1 4.47Å; T386-F462 HydrophobicContact CG2-CG 3.94Å
387R87.8Confident70.3Confident30 Ų3064.6 Ų64.611%0.11334%0.337CS..EExtended strand (participates in β ladder)trans-111.5137.7174.6-71.4179177.4-177.7-5.3111.6N361 R384 M385 L445 L446 D447N361-R387 PolarHBondContact ND2-NH1 3.28Å; N361-R387 PolarHBondContact ND2-NH2 3.48Å; N361-R387 PolarHBondContact OD1-NH1 3.3Å; R384-R387 HydrophobicContact CB-CG 4.27Å; R384-R387 PolarHBondContact O-N 3.42Å; R384-R387 VanDerWaalsContact O-N 3.15Å; M385-R387 VanDerWaalsContact C-N 3.3Å; M385-R387 PolarHBondContact O-N 3.42Å; R387-L445 HydrophobicContact CB-CD1 4.28Å; R387-L446 WeakPolarHBondContact CA-O 3.39Å; R387-D447 HydrophobicContact CG-CB 4.46Å; R387-D447 VanDerWaalsContact CG-OD1 3.26Å; R387-D447 WeakPolarHBondContact CG-OD1 3.25Å; R387-D447 IonicContact CZ-OD1 3.28Å; R387-D447 IonicContact NE-OD1 2.86Å; R387-D447 PolarHBondContact NE-OD1 3.34Å; R387-D447 IonicContact NE-OD2 2.81Å; R387-D447 IonicContact NH2-OD1 2.88Å; R387-D447 IonicContact NH2-OD2 2.79Å; R387-D447 PolarHBondContact NH2-OD2 2.67Å
388L89.2Confident73Confident5 Ų562.4 Ų62.43%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-122.7143.4175.2-56.7-178.9000109.5F390 L446 F448 F462 K466 L469 I473L388-F390 HydrophobicContact CB-CD1 4.34Å; L388-F390 HydrophobicContact CB-CE1 4.04Å; L388-F390 HydrophobicContact CD1-CE1 4.09Å; L388-L446 HydrophobicContact CB-CB 4.37Å; L388-L446 PolarHBondContact N-O 2.94Å; L388-L446 PolarHBondContact O-N 2.78Å; L388-F448 HydrophobicContact CB-CE2 4.49Å; L388-F448 HydrophobicContact CD1-CE2 3.84Å; L388-F448 HydrophobicContact CD1-CZ 4.17Å; L388-F448 HydrophobicContact CG-CE2 4.06Å; L388-F462 HydrophobicContact CD1-CE2 4.28Å; L388-F462 HydrophobicContact CD1-CZ 4.44Å; L388-F462 HydrophobicContact CD2-CE2 4.31Å; L388-F462 HydrophobicContact CD2-CZ 3.7Å; L388-F462 HydrophobicContact CG-CE2 4.04Å; L388-F462 HydrophobicContact CG-CZ 3.94Å; L388-K466 HydrophobicContact CD2-CB 4.4Å; L388-K466 HydrophobicContact CD2-CD 3.89Å; L388-K466 HydrophobicContact CD2-CG 3.83Å; L388-L469 HydrophobicContact CD1-CB 4.43Å; L388-L469 HydrophobicContact CD1-CD1 4.03Å; L388-I473 HydrophobicContact CD1-CD1 4.15Å; L388-I473 HydrophobicContact CD1-CG1 4.42Å; L388-I473 HydrophobicContact CD2-CD1 3.78Å; L388-I473 HydrophobicContact CD2-CG1 4.36Å; L388-I473 HydrophobicContact CG-CD1 4.48Å
389S89.7Confident75.8Confident36 Ų3660.2 Ų60.225%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-110.3122.2170.2-179.20000108S443 I444 I473 K474S389-S443 VanDerWaalsContact OG-CB 3.3Å; S389-S443 WeakPolarHBondContact OG-CB 3.47Å; S389-S443 PolarHBondContact OG-OG 2.82Å; S389-I444 CarbonylContact C-O 3.48Å; S389-I444 WeakPolarHBondContact CA-O 3.43Å; S389-I473 CarbonylContact O-C 3.52Å; S389-I473 WeakPolarHBondContact O-CA 3.38Å; S389-K474 WeakPolarHBondContact O-CB 3.43Å; S389-K474 PolarHBondContact O-N 2.93Å
390F92.4Very high78.9Confident0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-102148.1177.5-8115.1000110.9L388 I392 V401 S443 I444 L446 L469 H472 I473L388-F390 HydrophobicContact CB-CD1 4.34Å; L388-F390 HydrophobicContact CB-CE1 4.04Å; L388-F390 HydrophobicContact CD1-CE1 4.09Å; F390-I392 HydrophobicContact CB-CG1 4.16Å; F390-I392 HydrophobicContact CD2-CD1 3.98Å; F390-I392 HydrophobicContact CD2-CG1 3.98Å; F390-I392 HydrophobicContact CG-CG1 4.5Å; F390-V401 HydrophobicContact CE2-CG2 4.36Å; F390-V401 HydrophobicContact CZ-CG2 4.49Å; F390-S443 CarbonylContact O-C 3.48Å; F390-S443 WeakPolarHBondContact O-CA 3.06Å; F390-S443 WeakPolarHBondContact O-CB 3.3Å; F390-I444 HydrophobicContact CB-CB 4.43Å; F390-I444 PolarHBondContact N-O 3Å; F390-I444 PolarHBondContact O-N 3.31Å; F390-L446 HydrophobicContact CD1-CD1 3.91Å; F390-L446 HydrophobicContact CD2-CD1 3.61Å; F390-L446 HydrophobicContact CE1-CD1 3.75Å; F390-L446 HydrophobicContact CE2-CD1 3.43Å; F390-L446 VanDerWaalsContact CE2-CD1 3.43Å; F390-L446 HydrophobicContact CG-CD1 3.84Å; F390-L446 HydrophobicContact CZ-CD1 3.47Å; F390-L446 VanDerWaalsContact CZ-CD1 3.47Å; F390-L469 HydrophobicContact CE1-CB 4.25Å; F390-L469 HydrophobicContact CE2-CD2 4.41Å; F390-L469 HydrophobicContact CZ-CB 3.82Å; F390-L469 HydrophobicContact CZ-CD1 4.06Å; F390-L469 HydrophobicContact CZ-CD2 3.95Å; F390-L469 HydrophobicContact CZ-CG 4.14Å; F390-H472 WeakPolarHBondContact CA-O 3.22Å; F390-H472 HydrophobicContact CD1-CB 4.2Å; F390-H472 HydrophobicContact CD2-CB 3.93Å; F390-H472 HydrophobicContact CE1-CB 4.19Å; F390-H472 HydrophobicContact CE2-CB 3.93Å; F390-H472 HydrophobicContact CG-CB 4.1Å; F390-H472 HydrophobicContact CZ-CB 4.08Å; F390-I473 HydrophobicContact CD1-CG1 4.15Å; F390-I473 HydrophobicContact CE1-CG1 3.73Å
391H90.6Very high81.9Confident110 Ų11049.5 Ų49.551%0.50927%0.266SS..SBendtrans-94.4-2.7175.664.6-88.6000113.5P471 H472 K474H391-P471 PolarHBondContact CE1-O 3.27Å; H391-H472 PolarHBondContact CE1-O 2.87Å; H391-H472 PolarHBondContact N-O 3.05Å; H391-H472 PolarHBondContact ND1-O 3.1Å; H391-K474 HydrophobicContact CB-CB 4.46Å
392I91.9Very high84.8Confident37 Ų3750.8 Ų50.819%0.1927%0.271CS..SBendtrans-94.6167.4179.363.3179.1000111.4F390 D396 S397 K400 I444 H472F390-I392 HydrophobicContact CB-CG1 4.16Å; F390-I392 HydrophobicContact CD2-CD1 3.98Å; F390-I392 HydrophobicContact CD2-CG1 3.98Å; F390-I392 HydrophobicContact CG-CG1 4.5Å; I392-D396 HydrophobicContact CB-CB 4.34Å; I392-D396 HydrophobicContact CD1-CB 3.93Å; I392-D396 HydrophobicContact CG1-CB 4.24Å; I392-S397 WeakPolarHBondContact CG1-OG 3.37Å; I392-S397 PolarHBondContact O-OG 3.32Å; I392-K400 HydrophobicContact CD1-CG 4.05Å; I392-I444 WeakPolarHBondContact O-CG1 3.37Å; I392-H472 HydrophobicContact CD1-CB 4.08Å
393G91.3Very high87.5Confident37 Ų3752.5 Ų52.538%0.38127%0.274SS..  trans-62.8165.2-178.600000113.9D396 S397G393-D396 PolarHBondContact O-N 2.91Å; G393-S397 VanDerWaalsContact O-CB 3.31Å; G393-S397 WeakPolarHBondContact O-CB 3.29Å; G393-S397 PolarHBondContact O-N 2.84Å; G393-S397 PolarHBondContact O-OG 3.02Å
394L89.8Confident89.8Confident38 Ų3842.8 Ų42.820%0.19923%0.233CC..Hα-helixtrans-58.4-50.9-177.9177.763000112.2D396 S397 L398 A437 I444L394-D396 PolarHBondContact O-N 3.07Å; L394-S397 WeakPolarHBondContact O-CB 3.48Å; L394-S397 PolarHBondContact O-N 3.33Å; L394-L398 HydrophobicContact CD1-CD1 4.38Å; L394-L398 PolarHBondContact O-N 3.35Å; L394-A437 HydrophobicContact CD1-CB 3.43Å; L394-A437 VanDerWaalsContact CD1-CB 3.43Å; L394-I444 HydrophobicContact CB-CD1 4.02Å; L394-I444 HydrophobicContact CD1-CD1 4.48Å; L394-I444 HydrophobicContact CD1-CG2 4.07Å
395T91.4Very high91.3Very high112 Ų11241.4 Ų41.469%0.68723%0.228SC*.Hα-helixtrans-60.4-46.6179.8-52.60000111.5S397 L398 A399T395-S397 VanDerWaalsContact C-N 3.33Å; T395-S397 PolarHBondContact O-N 3.32Å; T395-L398 PolarHBondContact O-N 3.21Å; T395-A399 WeakPolarHBondContact O-CB 3.44Å; T395-A399 PolarHBondContact O-N 3.26Å
396D93.5Very high92.6Very high97 Ų9744 Ų4452%0.51924%0.241SC..Hα-helixtrans-65.8-37.6178.4-58.1-33.3000111.8I392 G393 L394 A399 K400I392-D396 HydrophobicContact CB-CB 4.34Å; I392-D396 HydrophobicContact CD1-CB 3.93Å; I392-D396 HydrophobicContact CG1-CB 4.24Å; G393-D396 PolarHBondContact O-N 2.91Å; L394-D396 PolarHBondContact O-N 3.07Å; D396-A399 PolarHBondContact O-N 2.92Å; D396-K400 WeakPolarHBondContact O-CB 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.26Å; D396-K400 WeakPolarHBondContact O-CG 3.17Å; D396-K400 PolarHBondContact O-N 3.3Å
397S93.2Very high93.2Very high0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-59.8-47.9176.5-62.50000111.3I392 G393 L394 T395 K400 V401I392-S397 WeakPolarHBondContact CG1-OG 3.37Å; I392-S397 PolarHBondContact O-OG 3.32Å; G393-S397 VanDerWaalsContact O-CB 3.31Å; G393-S397 WeakPolarHBondContact O-CB 3.29Å; G393-S397 PolarHBondContact O-N 2.84Å; G393-S397 PolarHBondContact O-OG 3.02Å; L394-S397 WeakPolarHBondContact O-CB 3.48Å; L394-S397 PolarHBondContact O-N 3.33Å; T395-S397 VanDerWaalsContact C-N 3.33Å; T395-S397 PolarHBondContact O-N 3.32Å; S397-K400 PolarHBondContact O-N 3.13Å; S397-V401 WeakPolarHBondContact O-CG2 3.48Å; S397-V401 PolarHBondContact O-N 3.15Å; S397-V401 VanDerWaalsContact O-N 3.11Å
398L93.9Very high93.4Very high20 Ų2051.3 Ų51.311%0.10528%0.281CS..Hα-helixtrans-65.5-45.2177.8-68.8173.5000111.4L394 T395 K400 V401 E402 I419 A437L394-L398 HydrophobicContact CD1-CD1 4.38Å; L394-L398 PolarHBondContact O-N 3.35Å; T395-L398 PolarHBondContact O-N 3.21Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.37Å; L398-V401 PolarHBondContact O-N 3.48Å; L398-E402 PolarHBondContact O-N 3.33Å; L398-I419 HydrophobicContact CB-CD1 4.29Å; L398-I419 HydrophobicContact CD2-CD1 3.97Å; L398-I419 HydrophobicContact CD2-CG1 3.92Å; L398-I419 WeakPolarHBondContact O-CD1 3.47Å; L398-A437 HydrophobicContact CD2-CB 3.69Å; L398-A437 HydrophobicContact CG-CB 4.15Å
399A94.5Very high93.6Very high46 Ų4653.9 Ų53.938%0.3831%0.308SS..Hα-helixtrans-58.9-39.9177.400000112.3T395 D396 E402 E403T395-A399 WeakPolarHBondContact O-CB 3.44Å; T395-A399 PolarHBondContact O-N 3.26Å; D396-A399 PolarHBondContact O-N 2.92Å; A399-E402 PolarHBondContact O-N 2.96Å; A399-E403 WeakPolarHBondContact O-CB 3.49Å; A399-E403 PolarHBondContact O-N 3.5Å
400K95.9Very high93.8Very high70 Ų7052.3 Ų52.330%0.30430%0.297SS..Hα-helixtrans-69.6-36.6177.2-70.3-65.8166.7-1640113.3I392 D396 S397 L398 E403 A404 L469 H472I392-K400 HydrophobicContact CD1-CG 4.05Å; D396-K400 WeakPolarHBondContact O-CB 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.26Å; D396-K400 WeakPolarHBondContact O-CG 3.17Å; D396-K400 PolarHBondContact O-N 3.3Å; S397-K400 PolarHBondContact O-N 3.13Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.37Å; K400-E403 WeakPolarHBondContact CD-OE2 3.3Å; K400-E403 IonicContact NZ-OE2 2.74Å; K400-E403 PolarHBondContact NZ-OE2 3.11Å; K400-A404 WeakPolarHBondContact O-CB 3.35Å; K400-A404 PolarHBondContact O-N 3.49Å; K400-L469 HydrophobicContact CB-CD2 4.27Å; K400-L469 WeakPolarHBondContact O-CD2 3.22Å; K400-H472 WeakPolarHBondContact CD-NE2 3.46Å
401V96.1Very high93.7Very high0 Ų058.7 Ų58.70%033%0.327CS..Hα-helixtrans-64.8-43.1172.2173.70000110.7F390 S397 L398 A404 C405 I419 V435 L446 F448 L469F390-V401 HydrophobicContact CE2-CG2 4.36Å; F390-V401 HydrophobicContact CZ-CG2 4.49Å; S397-V401 WeakPolarHBondContact O-CG2 3.48Å; S397-V401 PolarHBondContact O-N 3.15Å; S397-V401 VanDerWaalsContact O-N 3.11Å; L398-V401 PolarHBondContact O-N 3.48Å; V401-A404 PolarHBondContact O-N 3.34Å; V401-C405 PolarHBondContact O-N 2.94Å; V401-C405 PolarHBondContact O-SG 3.06Å; V401-I419 HydrophobicContact CB-CD1 3.87Å; V401-I419 HydrophobicContact CG1-CD1 3.77Å; V401-V435 HydrophobicContact CG1-CB 4.38Å; V401-V435 HydrophobicContact CG1-CG1 4.22Å; V401-V435 HydrophobicContact CG1-CG2 4.06Å; V401-L446 HydrophobicContact CG2-CD1 3.69Å; V401-F448 HydrophobicContact CG1-CE1 4.18Å; V401-F448 HydrophobicContact CG1-CZ 4.23Å; V401-F448 HydrophobicContact CG2-CZ 4.15Å; V401-L469 HydrophobicContact CG2-CD1 4.07Å; V401-L469 HydrophobicContact CG2-CD2 4.48Å
402E95.9Very high93.9Very high71 Ų7154.6 Ų54.633%0.33231%0.31SS..Hα-helixtrans-59.7-50.2176.7-176.3175.3-171.700111.5L398 A399 A404 C405 I406 P412 C414 I419L398-E402 PolarHBondContact O-N 3.33Å; A399-E402 PolarHBondContact O-N 2.96Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 3.48Å; E402-C405 WeakPolarHBondContact O-CB 3.37Å; E402-C405 PolarHBondContact O-N 2.87Å; E402-C405 VanDerWaalsContact O-N 3.12Å; E402-I406 HydrophobicContact CG-CD1 3.97Å; E402-I406 WeakPolarHBondContact O-CG1 3.5Å; E402-I406 PolarHBondContact O-N 3.48Å; E402-P412 HydrophobicContact CG-CB 4.26Å; E402-P412 HydrophobicContact CG-CG 3.83Å; E402-C414 PolarHBondContact OE2-SG 3.07Å; E402-I419 HydrophobicContact CB-CD1 4.33Å
403E95.9Very high94Very high111 Ų11157.3 Ų57.352%0.51933%0.329SS..Hα-helixtrans-55.2-47.1176.1-174.3-177.6176.800111.6A399 K400 C405 I406 L407A399-E403 WeakPolarHBondContact O-CB 3.49Å; A399-E403 PolarHBondContact O-N 3.5Å; K400-E403 WeakPolarHBondContact CD-OE2 3.3Å; K400-E403 IonicContact NZ-OE2 2.74Å; K400-E403 PolarHBondContact NZ-OE2 3.11Å; E403-C405 VanDerWaalsContact C-N 3.34Å; E403-C405 PolarHBondContact O-N 3.36Å; E403-I406 PolarHBondContact O-N 3Å; E403-L407 WeakPolarHBondContact O-CB 3.31Å; E403-L407 PolarHBondContact O-N 3.4Å
404A96.7Very high93.8Very high6 Ų658.4 Ų58.45%0.0533%0.33CS..Hα-helixtrans-64.5-36.517800000112.8K400 V401 E402 M408 L465 L468 L469K400-A404 WeakPolarHBondContact O-CB 3.35Å; K400-A404 PolarHBondContact O-N 3.49Å; V401-A404 PolarHBondContact O-N 3.34Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 3.48Å; A404-M408 WeakPolarHBondContact O-CG 3.24Å; A404-M408 PolarHBondContact O-N 3.13Å; A404-L465 HydrophobicContact CB-CD2 3.92Å; A404-L468 HydrophobicContact CB-CB 4.24Å; A404-L468 HydrophobicContact CB-CD1 4.37Å; A404-L469 HydrophobicContact CB-CD2 3.76Å; A404-L469 HydrophobicContact CB-CG 4.04Å
405C95.8Very high93.5Very high0 Ų059.7 Ų59.70%034%0.342CS..Hα-helixtrans-67-44.9175.9-68.80000111.6V401 E402 E403 L407 M408 G409 M410 P412 V421V401-C405 PolarHBondContact O-N 2.94Å; V401-C405 PolarHBondContact O-SG 3.06Å; E402-C405 WeakPolarHBondContact O-CB 3.37Å; E402-C405 PolarHBondContact O-N 2.87Å; E402-C405 VanDerWaalsContact O-N 3.12Å; E403-C405 VanDerWaalsContact C-N 3.34Å; E403-C405 PolarHBondContact O-N 3.36Å; C405-L407 VanDerWaalsContact C-N 3.34Å; C405-M408 PolarHBondContact O-N 2.85Å; C405-G409 PolarHBondContact O-N 2.99Å; C405-M410 HydrophobicContact CB-CB 4.28Å; C405-M410 WeakPolarHBondContact O-CB 3.37Å; C405-M410 WeakPolarHBondContact O-CG 3.47Å; C405-M410 PolarHBondContact O-N 2.93Å; C405-P412 HydrophobicContact CB-CB 4.27Å; C405-P412 HydrophobicContact CB-CG 4.19Å; C405-V421 HydrophobicContact CB-CG1 4.42Å
406I95.5Very high92.8Very high97 Ų9759.5 Ų59.550%0.49735%0.345SS..Hα-helixtrans-62.3-43.4177.1-66.8168.5000110.4E402 E403 M408 G409 P412E402-I406 HydrophobicContact CG-CD1 3.97Å; E402-I406 WeakPolarHBondContact O-CG1 3.5Å; E402-I406 PolarHBondContact O-N 3.48Å; E403-I406 PolarHBondContact O-N 3Å; I406-M408 PolarHBondContact O-N 3.15Å; I406-G409 WeakPolarHBondContact O-CA 3.13Å; I406-G409 PolarHBondContact O-N 2.85Å; I406-P412 HydrophobicContact CD1-CG 4.28Å; I406-P412 HydrophobicContact CG1-CG 3.76Å
407L95.5Very high92.3Very high128 Ų12859 Ų5967%0.6734%0.343SS*.Hα-helixtrans-59-32.4177.4-176.564.2000112.4E403 C405 G409 L468E403-L407 WeakPolarHBondContact O-CB 3.31Å; E403-L407 PolarHBondContact O-N 3.4Å; C405-L407 VanDerWaalsContact C-N 3.34Å; L407-G409 VanDerWaalsContact C-N 3.26Å; L407-G409 PolarHBondContact O-N 3.39Å; L407-L468 HydrophobicContact CD2-CD1 4.14Å; L407-L468 HydrophobicContact CD2-CD2 3.87Å
408M93.6Very high92.1Very high56 Ų5662.1 Ų62.128%0.27636%0.357SS..THydrogen-bonded Turntrans-83.76174.7-71.9-170.365.200114A404 C405 I406 M410 M461 K464 L465 L468A404-M408 WeakPolarHBondContact O-CG 3.24Å; A404-M408 PolarHBondContact O-N 3.13Å; C405-M408 PolarHBondContact O-N 2.85Å; I406-M408 PolarHBondContact O-N 3.15Å; M408-M410 VanDerWaalsContact C-N 3.33Å; M408-M410 HydrophobicContact CB-CE 3.38Å; M408-M410 HydrophobicContact CB-CG 4.13Å; M408-M410 HydrophobicContact CE-CE 3.53Å; M408-M410 HydrophobicContact CG-CE 3.93Å; M408-M410 HydrophobicContact SD-CE 3.37Å; M408-M410 WeakPolarHBondContact SD-CE 3.36Å; M408-M461 HydrophobicContact CE-CG 3.96Å; M408-K464 HydrophobicContact CE-CB 3.49Å; M408-K464 VanDerWaalsContact CE-CB 3.49Å; M408-K464 HydrophobicContact CE-CD 3.68Å; M408-K464 HydrophobicContact CE-CG 4.24Å; M408-K464 HydrophobicContact SD-CB 3.89Å; M408-L465 HydrophobicContact SD-CD2 3.6Å; M408-L465 VanDerWaalsContact SD-CD2 3.6Å; M408-L465 HydrophobicContact SD-CG 3.68Å; M408-L468 HydrophobicContact CG-CD1 3.63Å; M408-L468 HydrophobicContact SD-CD1 3.9Å
409G92.2Very high92Very high59 Ų5961.2 Ų61.261%0.60835%0.352SS*.THydrogen-bonded Turntrans75.31818000000114.4C405 I406 L407C405-G409 PolarHBondContact O-N 2.99Å; I406-G409 WeakPolarHBondContact O-CA 3.13Å; I406-G409 PolarHBondContact O-N 2.85Å; L407-G409 VanDerWaalsContact C-N 3.26Å; L407-G409 PolarHBondContact O-N 3.39Å
410M94.2Very high92Very high4 Ų460.9 Ų60.92%0.0235%0.346CS..  trans-88.1165.3178.6-47.3-173.4-14200111.5C405 M408 P412 V421 T423 F433 M461 L465C405-M410 HydrophobicContact CB-CB 4.28Å; C405-M410 WeakPolarHBondContact O-CB 3.37Å; C405-M410 WeakPolarHBondContact O-CG 3.47Å; C405-M410 PolarHBondContact O-N 2.93Å; M408-M410 VanDerWaalsContact C-N 3.33Å; M408-M410 HydrophobicContact CB-CE 3.38Å; M408-M410 HydrophobicContact CB-CG 4.13Å; M408-M410 HydrophobicContact CE-CE 3.53Å; M408-M410 HydrophobicContact CG-CE 3.93Å; M408-M410 HydrophobicContact SD-CE 3.37Å; M408-M410 WeakPolarHBondContact SD-CE 3.36Å; M410-P412 WeakPolarHBondContact O-CD 3.37Å; M410-V421 HydrophobicContact CB-CG1 3.59Å; M410-V421 HydrophobicContact CG-CG1 4.25Å; M410-V421 HydrophobicContact SD-CG1 3.65Å; M410-T423 HydrophobicContact SD-CG2 4.4Å; M410-F433 HydrophobicContact SD-CE1 3.79Å; M410-F433 HydrophobicContact SD-CZ 3.9Å; M410-M461 HydrophobicContact CE-CG 3.56Å; M410-M461 HydrophobicContact CE-SD 3.54Å; M410-M461 VanDerWaalsContact CE-SD 3.54Å; M410-M461 HydrophobicContact SD-CE 4.39Å; M410-M461 HydrophobicContact SD-CG 4.26Å; M410-M461 HydrophobicContact SD-SD 3.49Å; M410-L465 HydrophobicContact CE-CD1 4Å; M410-L465 HydrophobicContact CE-CD2 3.91Å; M410-L465 HydrophobicContact CE-CG 3.96Å
411Q91.1Very high91.9Very high133 Ų13357.5 Ų57.562%0.62133%0.331SS*.EExtended strand (participates in β ladder)trans-110.688.5178.8-57.5-60-60.800110.1S422Q411-S422 PolarHBondContact N-O 3.04Å; Q411-S422 PolarHBondContact O-N 2.92Å
412P94.3Very high91.7Very high24 Ų2459.8 Ų59.816%0.15635%0.347CS..EExtended strand (participates in β ladder)trans-74.7145.1173.331-33.3000111.3E402 C405 I406 M410 I419 T420 V421E402-P412 HydrophobicContact CG-CB 4.26Å; E402-P412 HydrophobicContact CG-CG 3.83Å; C405-P412 HydrophobicContact CB-CB 4.27Å; C405-P412 HydrophobicContact CB-CG 4.19Å; I406-P412 HydrophobicContact CD1-CG 4.28Å; I406-P412 HydrophobicContact CG1-CG 3.76Å; M410-P412 WeakPolarHBondContact O-CD 3.37Å; P412-I419 HydrophobicContact CB-CG2 3.65Å; P412-T420 CarbonylContact C-O 3.59Å; P412-T420 WeakPolarHBondContact CA-O 3.35Å; P412-V421 HydrophobicContact CB-CG2 4.29Å
413T93.1Very high91.5Very high94 Ų9457.9 Ų57.958%0.57734%0.34SS*.EExtended strand (participates in β ladder)trans-127.6111.9170.2-57.20000107.6T420T413-T420 PolarHBondContact N-O 2.94Å; T413-T420 PolarHBondContact O-N 2.83Å
414C87Confident91.2Very high61 Ų6156.5 Ų56.541%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-89.1137.2-175.5-60.70000111.7E402E402-C414 PolarHBondContact OE2-SG 3.07Å
415S84.1Confident90.7Very high64 Ų6456.9 Ų56.945%0.44834%0.341SS..EExtended strand (participates in β ladder)trans-122.9174.8164.763.60000108.4N417 Q418S415-N417 VanDerWaalsContact C-N 3.3Å; S415-N417 PolarHBondContact O-N 3.13Å; S415-N417 VanDerWaalsContact O-N 3.08Å; S415-Q418 PolarHBondContact N-O 3.18Å; S415-Q418 PolarHBondContact O-N 3.47Å; S415-Q418 PolarHBondContact OG-O 3.12Å
416S77.4Confident90Very high108 Ų10860.9 Ų60.976%0.75537%0.369SS*.THydrogen-bonded Turntrans-47.1-46.6-168.751.10000114.7
417N83.2Confident89.2Confident88 Ų8858.6 Ų58.647%0.47135%0.354SS..THydrogen-bonded Turntrans-127.912.6-177.9-65.42.2000113.7S415 A437S415-N417 VanDerWaalsContact C-N 3.3Å; S415-N417 PolarHBondContact O-N 3.13Å; S415-N417 VanDerWaalsContact O-N 3.08Å; N417-A437 PolarHBondContact O-N 3.11Å; N417-A437 VanDerWaalsContact O-N 3.11Å
418Q88.5Confident88.6Confident64 Ų6462.9 Ų62.930%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-146.7140.9-175.1179.4174.675.600111.9S415 K434 V435S415-Q418 PolarHBondContact N-O 3.18Å; S415-Q418 PolarHBondContact O-N 3.47Å; S415-Q418 PolarHBondContact OG-O 3.12Å; Q418-K434 HydrophobicContact CG-CB 4.36Å; Q418-V435 CarbonylContact C-O 3.53Å; Q418-V435 VanDerWaalsContact CA-O 3.25Å; Q418-V435 WeakPolarHBondContact CA-O 3.49Å; Q418-V435 WeakPolarHBondContact CG-O 3.25Å
419I92.2Very high88.1Confident1 Ų163 Ų631%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-109.8127.1171.3-51.7178.6000108L398 V401 E402 P412 V421 K434 V435L398-I419 HydrophobicContact CB-CD1 4.29Å; L398-I419 HydrophobicContact CD2-CD1 3.97Å; L398-I419 HydrophobicContact CD2-CG1 3.92Å; L398-I419 WeakPolarHBondContact O-CD1 3.47Å; V401-I419 HydrophobicContact CB-CD1 3.87Å; V401-I419 HydrophobicContact CG1-CD1 3.77Å; E402-I419 HydrophobicContact CB-CD1 4.33Å; P412-I419 HydrophobicContact CB-CG2 3.65Å; I419-V421 HydrophobicContact CG2-CG2 3.75Å; I419-K434 CarbonylContact O-C 3.54Å; I419-K434 VanDerWaalsContact O-CA 3.26Å; I419-K434 WeakPolarHBondContact O-CA 3.24Å; I419-V435 HydrophobicContact CB-CB 4.3Å; I419-V435 PolarHBondContact N-O 2.74Å; I419-V435 PolarHBondContact O-N 3.11Å
420T93.1Very high87.8Confident39 Ų3963 Ų6324%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-99.6124166.8-60.50000108.3P412 T413 I432 K434P412-T420 CarbonylContact C-O 3.59Å; P412-T420 WeakPolarHBondContact CA-O 3.35Å; T413-T420 PolarHBondContact N-O 2.94Å; T413-T420 PolarHBondContact O-N 2.83Å; T420-I432 HydrophobicContact CG2-CG2 3.9Å; T420-K434 HydrophobicContact CG2-CG 4.36Å
421V93.9Very high87.5Confident0 Ų062.9 Ų62.90%035%0.351CS..EExtended strand (participates in β ladder)trans-113120.8-177.3-173.60000109.1C405 M410 P412 I419 I432 F433C405-V421 HydrophobicContact CB-CG1 4.42Å; M410-V421 HydrophobicContact CB-CG1 3.59Å; M410-V421 HydrophobicContact CG-CG1 4.25Å; M410-V421 HydrophobicContact SD-CG1 3.65Å; P412-V421 HydrophobicContact CB-CG2 4.29Å; I419-V421 HydrophobicContact CG2-CG2 3.75Å; V421-I432 WeakPolarHBondContact O-CA 3.47Å; V421-F433 HydrophobicContact CB-CD1 3.97Å; V421-F433 HydrophobicContact CB-CD2 4.23Å; V421-F433 HydrophobicContact CB-CE1 3.49Å; V421-F433 VanDerWaalsContact CB-CE1 3.49Å; V421-F433 HydrophobicContact CB-CE2 3.79Å; V421-F433 HydrophobicContact CB-CG 4.32Å; V421-F433 HydrophobicContact CB-CZ 3.4Å; V421-F433 VanDerWaalsContact CB-CZ 3.4Å; V421-F433 HydrophobicContact CG1-CD1 4.31Å; V421-F433 HydrophobicContact CG1-CE1 3.45Å; V421-F433 VanDerWaalsContact CG1-CE1 3.45Å; V421-F433 HydrophobicContact CG1-CE2 4.36Å; V421-F433 HydrophobicContact CG1-CZ 3.49Å; V421-F433 VanDerWaalsContact CG1-CZ 3.49Å; V421-F433 HydrophobicContact CG2-CD2 4.32Å; V421-F433 HydrophobicContact CG2-CE1 4.23Å; V421-F433 HydrophobicContact CG2-CE2 3.65Å; V421-F433 HydrophobicContact CG2-CZ 3.61Å; V421-F433 PolarHBondContact N-O 2.66Å; V421-F433 PolarHBondContact O-N 2.94Å
422S91.6Very high87.4Confident48 Ų4858.4 Ų58.434%0.33633%0.33SS..EExtended strand (participates in β ladder)trans-103.4131.9173.6-60.90000110.3Q411Q411-S422 PolarHBondContact N-O 3.04Å; Q411-S422 PolarHBondContact O-N 2.92Å
423T93.5Very high87.2Confident30 Ų3057.3 Ų57.318%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-156-166.8179.9-169.90000110.1M410 L431 M461M410-T423 HydrophobicContact SD-CG2 4.4Å; T423-L431 CarbonylContact C-O 3.51Å; T423-L431 HydrophobicContact CG2-CB 4.14Å; T423-L431 HydrophobicContact CG2-CD2 3.86Å; T423-L431 PolarHBondContact N-O 2.69Å; T423-L431 PolarHBondContact O-N 2.71Å; T423-M461 HydrophobicContact CG2-CE 3.79Å; T423-M461 HydrophobicContact CG2-SD 3.71Å
424V89.5Confident87.1Confident83 Ų8354.5 Ų54.550%0.50330%0.303SS..EExtended strand (participates in β ladder)trans-124.8148.7173-63.60000111.6N429V424-N429 CarbonylContact C-O 3.49Å; V424-N429 WeakPolarHBondContact CA-O 3.43Å; V424-N429 WeakPolarHBondContact CB-O 3.35Å
425D85.3Confident87.3Confident14 Ų1451.6 Ų51.68%0.07528%0.283CS..  trans-74.5-179.6172.671.97.8000111.9R427 R428 N429 L431 D457D425-R427 PolarHBondContact O-N 3.39Å; D425-R427 VanDerWaalsContact OD1-CA 3.24Å; D425-R427 WeakPolarHBondContact OD1-CA 3.43Å; D425-R427 VanDerWaalsContact OD1-CB 3.3Å; D425-R427 WeakPolarHBondContact OD1-CB 3.24Å; D425-R427 PolarHBondContact OD1-N 3.17Å; D425-R428 PolarHBondContact O-N 3.26Å; D425-R428 PolarHBondContact OD1-N 3.01Å; D425-N429 PolarHBondContact N-O 2.73Å; D425-N429 PolarHBondContact OD1-N 3.28Å; D425-N429 WeakPolarHBondContact OD2-CB 3.39Å; D425-N429 PolarHBondContact OD2-ND2 3.28Å; D425-L431 HydrophobicContact CB-CB 4.4Å; D425-L431 HydrophobicContact CB-CD1 4.01Å; D425-D457 HydrophobicContact CB-CB 3.9Å
426S82.3Confident87.6Confident84 Ų8449 Ų4959%0.58727%0.266SS*.THydrogen-bonded Turntrans-59.2-17.1177.455.80000114D457S426-D457 VanDerWaalsContact CB-OD1 3.26Å; S426-D457 WeakPolarHBondContact CB-OD1 3.49Å; S426-D457 VanDerWaalsContact OG-CG 3.25Å; S426-D457 PolarHBondContact OG-OD1 3.12Å; S426-D457 PolarHBondContact OG-OD2 3.29Å
427R78.3Confident88.2Confident49 Ų4944.2 Ų44.219%0.18523%0.233CC..THydrogen-bonded Turntrans-103.56.7-177.6-59.8157.9-130.1164.68.2112.3D221 D425 N429 D454 D457D221-R427 HydrophobicContact CB-CG 3.85Å; D221-R427 VanDerWaalsContact CG-CG 3.49Å; D221-R427 WeakPolarHBondContact OD1-CD 3.47Å; D221-R427 WeakPolarHBondContact OD1-CG 3.26Å; D221-R427 IonicContact OD1-NE 2.92Å; D221-R427 PolarHBondContact OD1-NE 3.22Å; D425-R427 PolarHBondContact O-N 3.39Å; D425-R427 VanDerWaalsContact OD1-CA 3.24Å; D425-R427 WeakPolarHBondContact OD1-CA 3.43Å; D425-R427 VanDerWaalsContact OD1-CB 3.3Å; D425-R427 WeakPolarHBondContact OD1-CB 3.24Å; D425-R427 PolarHBondContact OD1-N 3.17Å; R427-N429 WeakPolarHBondContact CB-ND2 3.47Å; R427-N429 PolarHBondContact O-N 2.85Å; R427-D454 IonicContact CZ-OD2 3.11Å; R427-D454 VanDerWaalsContact CZ-OD2 3.28Å; R427-D454 IonicContact NH1-OD2 3.13Å; R427-D454 PolarHBondContact NH1-OD2 3.3Å; R427-D454 IonicContact NH2-OD1 3.36Å; R427-D454 PolarHBondContact NH2-OD1 3.02Å; R427-D454 IonicContact NH2-OD2 3.8Å; R427-D454 PolarHBondContact NH2-OD2 3.45Å; R427-D457 IonicContact CZ-OD2 3.61Å; R427-D457 IonicContact NE-OD2 3.42Å; R427-D457 IonicContact NH2-OD2 3.68Å; R427-D457 PolarHBondContact NH2-OD2 2.83Å
428R82.9Confident88.3Confident217 Ų21743.6 Ų43.682%0.81922%0.224SC*.SBendtrans64.817.4-175.4-53.8-176174.2-166.7-2.4114.6D425D425-R428 PolarHBondContact O-N 3.26Å; D425-R428 PolarHBondContact OD1-N 3.01Å
429N82.7Confident88.1Confident58 Ų5847.8 Ų47.831%0.3124%0.244SC..  trans-80.3152.5169.1-55.2-62.2000110V424 D425 R427 L431V424-N429 CarbonylContact C-O 3.49Å; V424-N429 WeakPolarHBondContact CA-O 3.43Å; V424-N429 WeakPolarHBondContact CB-O 3.35Å; D425-N429 PolarHBondContact N-O 2.73Å; D425-N429 PolarHBondContact OD1-N 3.28Å; D425-N429 WeakPolarHBondContact OD2-CB 3.39Å; D425-N429 PolarHBondContact OD2-ND2 3.28Å; R427-N429 WeakPolarHBondContact CB-ND2 3.47Å; R427-N429 PolarHBondContact O-N 2.85Å; N429-L431 PolarHBondContact O-N 3.18Å
430T84.9Confident87.6Confident60 Ų6049 Ų4937%0.36825%0.25SC..EExtended strand (participates in β ladder)trans-59.5127.4176.5-500000111.5I432 K452T430-I432 HydrophobicContact CG2-CD1 4.08Å; T430-I432 HydrophobicContact CG2-CG1 3.91Å; T430-K452 HydrophobicContact CG2-CD 4.42Å
431L87.7Confident86.9Confident2 Ų255.7 Ų55.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-123.9126.5171.6-171.1161.3000108.7T423 D425 N429 F433 L450 K452 D457 F458 M461T423-L431 CarbonylContact C-O 3.51Å; T423-L431 HydrophobicContact CG2-CB 4.14Å; T423-L431 HydrophobicContact CG2-CD2 3.86Å; T423-L431 PolarHBondContact N-O 2.69Å; T423-L431 PolarHBondContact O-N 2.71Å; D425-L431 HydrophobicContact CB-CB 4.4Å; D425-L431 HydrophobicContact CB-CD1 4.01Å; N429-L431 PolarHBondContact O-N 3.18Å; L431-F433 HydrophobicContact CD2-CD1 3.85Å; L431-L450 HydrophobicContact CD2-CD1 4.29Å; L431-L450 HydrophobicContact CG-CD1 4.27Å; L431-K452 CarbonylContact C-O 3.57Å; L431-K452 VanDerWaalsContact CA-O 3.32Å; L431-K452 WeakPolarHBondContact CA-O 3.44Å; L431-D457 HydrophobicContact CD1-CB 4.03Å; L431-F458 HydrophobicContact CD1-CB 4.19Å; L431-F458 HydrophobicContact CD2-CB 4.48Å; L431-M461 HydrophobicContact CD1-CE 4.36Å; L431-M461 HydrophobicContact CD2-CE 3.39Å
432I89.9Confident86.4Confident39 Ų3959.9 Ų59.920%0.231%0.313CS..EExtended strand (participates in β ladder)trans-127.2131.2179.8-54176000108.1T420 V421 T430 S451 K452T420-I432 HydrophobicContact CG2-CG2 3.9Å; V421-I432 WeakPolarHBondContact O-CA 3.47Å; T430-I432 HydrophobicContact CG2-CD1 4.08Å; T430-I432 HydrophobicContact CG2-CG1 3.91Å; I432-S451 WeakPolarHBondContact O-CA 3.36Å; I432-S451 WeakPolarHBondContact O-CB 3.49Å; I432-S451 PolarHBondContact O-N 3.38Å; I432-K452 HydrophobicContact CB-CB 4.13Å; I432-K452 HydrophobicContact CD1-CB 4.45Å; I432-K452 HydrophobicContact CD1-CD 4.41Å; I432-K452 HydrophobicContact CG1-CB 4.33Å; I432-K452 PolarHBondContact N-O 3.17Å; I432-K452 PolarHBondContact O-N 3.32Å
433F91.1Very high86.3Confident1 Ų158.5 Ų58.50%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-136.1156.917268.7-86.7000110.3M410 V421 L431 V435 F448 R449 F458 M461 L465M410-F433 HydrophobicContact SD-CE1 3.79Å; M410-F433 HydrophobicContact SD-CZ 3.9Å; V421-F433 HydrophobicContact CB-CD1 3.97Å; V421-F433 HydrophobicContact CB-CD2 4.23Å; V421-F433 HydrophobicContact CB-CE1 3.49Å; V421-F433 VanDerWaalsContact CB-CE1 3.49Å; V421-F433 HydrophobicContact CB-CE2 3.79Å; V421-F433 HydrophobicContact CB-CG 4.32Å; V421-F433 HydrophobicContact CB-CZ 3.4Å; V421-F433 VanDerWaalsContact CB-CZ 3.4Å; V421-F433 HydrophobicContact CG1-CD1 4.31Å; V421-F433 HydrophobicContact CG1-CE1 3.45Å; V421-F433 VanDerWaalsContact CG1-CE1 3.45Å; V421-F433 HydrophobicContact CG1-CE2 4.36Å; V421-F433 HydrophobicContact CG1-CZ 3.49Å; V421-F433 VanDerWaalsContact CG1-CZ 3.49Å; V421-F433 HydrophobicContact CG2-CD2 4.32Å; V421-F433 HydrophobicContact CG2-CE1 4.23Å; V421-F433 HydrophobicContact CG2-CE2 3.65Å; V421-F433 HydrophobicContact CG2-CZ 3.61Å; V421-F433 PolarHBondContact N-O 2.66Å; V421-F433 PolarHBondContact O-N 2.94Å; L431-F433 HydrophobicContact CD2-CD1 3.85Å; F433-V435 HydrophobicContact CD2-CG2 4.01Å; F433-V435 HydrophobicContact CE2-CG2 3.76Å; F433-F448 HydrophobicContact CD2-CD1 4.3Å; F433-F448 AromaticContact CE2-CD1 3.96Å; F433-F448 HydrophobicContact CE2-CD1 3.96Å; F433-F448 HydrophobicContact CE2-CE1 4.44Å; F433-R449 CarbonylContact C-O 3.53Å; F433-R449 WeakPolarHBondContact CA-O 3.35Å; F433-R449 VanDerWaalsContact CB-O 3.22Å; F433-R449 WeakPolarHBondContact CB-O 3.45Å; F433-F458 HydrophobicContact CB-CD2 3.78Å; F433-F458 HydrophobicContact CB-CE2 3.52Å; F433-F458 HydrophobicContact CB-CZ 4.39Å; F433-F458 HydrophobicContact CD1-CD2 4.17Å; F433-F458 HydrophobicContact CD1-CE2 4.27Å; F433-F458 AromaticContact CD2-CE2 3.86Å; F433-F458 HydrophobicContact CD2-CE2 3.86Å; F433-F458 AromaticContact CG-CD2 3.93Å; F433-F458 HydrophobicContact CG-CD2 3.93Å; F433-F458 AromaticContact CG-CE2 3.63Å; F433-F458 HydrophobicContact CG-CE2 3.63Å; F433-M461 HydrophobicContact CD1-CE 3.46Å; F433-M461 VanDerWaalsContact CD1-CE 3.46Å; F433-M461 HydrophobicContact CE1-CE 3.2Å; F433-M461 HydrophobicContact CE1-SD 4.1Å; F433-M461 HydrophobicContact CZ-CE 4.17Å; F433-L465 HydrophobicContact CE2-CD1 4.16Å; F433-L465 HydrophobicContact CZ-CD1 3.79Å
434K90.2Very high86Confident34 Ų3457.5 Ų57.515%0.14830%0.297CS..EExtended strand (participates in β ladder)trans-115.6144.7177.8-60.9-173.8-176.3-177.20109.8E28 Q418 I419 T420 F448 R449E28-K434 IonicContact OE1-NZ 2.78Å; E28-K434 PolarHBondContact OE1-NZ 3.32Å; E28-K434 IonicContact OE2-NZ 2.8Å; E28-K434 PolarHBondContact OE2-NZ 3.42Å; Q418-K434 HydrophobicContact CG-CB 4.36Å; I419-K434 CarbonylContact O-C 3.54Å; I419-K434 VanDerWaalsContact O-CA 3.26Å; I419-K434 WeakPolarHBondContact O-CA 3.24Å; T420-K434 HydrophobicContact CG2-CG 4.36Å; K434-F448 WeakPolarHBondContact O-CA 2.97Å; K434-R449 PolarHBondContact N-O 2.95Å; K434-R449 PolarHBondContact O-N 3.08Å
435V92Very high86Confident0 Ų054.7 Ų54.70%028%0.279CS..EExtended strand (participates in β ladder)trans-116.9110.1172.9-168.50000107.4V401 Q418 I419 F433 L446 D447 F448V401-V435 HydrophobicContact CG1-CB 4.38Å; V401-V435 HydrophobicContact CG1-CG1 4.22Å; V401-V435 HydrophobicContact CG1-CG2 4.06Å; Q418-V435 CarbonylContact C-O 3.53Å; Q418-V435 VanDerWaalsContact CA-O 3.25Å; Q418-V435 WeakPolarHBondContact CA-O 3.49Å; Q418-V435 WeakPolarHBondContact CG-O 3.25Å; I419-V435 HydrophobicContact CB-CB 4.3Å; I419-V435 PolarHBondContact N-O 2.74Å; I419-V435 PolarHBondContact O-N 3.11Å; F433-V435 HydrophobicContact CD2-CG2 4.01Å; F433-V435 HydrophobicContact CE2-CG2 3.76Å; V435-L446 HydrophobicContact CG1-CB 4.36Å; V435-L446 HydrophobicContact CG1-CD2 4.4Å; V435-D447 WeakPolarHBondContact CA-O 3.19Å; V435-F448 HydrophobicContact CB-CD1 4.4Å; V435-F448 HydrophobicContact CB-CE1 4.42Å; V435-F448 HydrophobicContact CG1-CD1 4.17Å; V435-F448 HydrophobicContact CG1-CD2 4.08Å; V435-F448 HydrophobicContact CG1-CE1 3.98Å; V435-F448 HydrophobicContact CG1-CE2 3.89Å; V435-F448 HydrophobicContact CG1-CG 4.2Å; V435-F448 HydrophobicContact CG1-CZ 3.84Å; V435-F448 HydrophobicContact CG2-CD1 3.43Å; V435-F448 VanDerWaalsContact CG2-CD1 3.43Å; V435-F448 HydrophobicContact CG2-CE1 3.53Å; V435-F448 HydrophobicContact CG2-CG 4.07Å; V435-F448 HydrophobicContact CG2-CZ 4.26Å
436A89.2Confident86.3Confident11 Ų1154 Ų549%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-97135173.800000109.5Y438 L446 D447A436-Y438 HydrophobicContact CB-CE2 3.63Å; A436-L446 WeakPolarHBondContact O-CA 3.47Å; A436-D447 PolarHBondContact N-O 3.22Å; A436-D447 PolarHBondContact O-N 2.91Å
437A89.7Confident86.6Confident6 Ų650 Ų505%0.0525%0.248CC..EExtended strand (participates in β ladder)trans-109.6130.9177.600000110.8L394 L398 N417 I444 L445 L446L394-A437 HydrophobicContact CD1-CB 3.43Å; L394-A437 VanDerWaalsContact CD1-CB 3.43Å; L398-A437 HydrophobicContact CD2-CB 3.69Å; L398-A437 HydrophobicContact CG-CB 4.15Å; N417-A437 PolarHBondContact O-N 3.11Å; N417-A437 VanDerWaalsContact O-N 3.11Å; A437-I444 HydrophobicContact CB-CG2 4.06Å; A437-L445 WeakPolarHBondContact CA-O 3.01Å; A437-L446 HydrophobicContact CB-CD2 3.58Å
438Y86Confident87.2Confident75 Ų7547.7 Ų47.729%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-124124.6-178.5-55.8-86000109.6A436 M440 I444 L445 D447A436-Y438 HydrophobicContact CB-CE2 3.63Å; Y438-M440 VanDerWaalsContact CB-CE 3.42Å; Y438-M440 HydrophobicContact CG-CE 4.48Å; Y438-M440 PolarHBondContact O-N 3.21Å; Y438-I444 WeakPolarHBondContact O-CA 3.41Å; Y438-L445 PolarHBondContact N-O 2.88Å; Y438-L445 PolarHBondContact O-N 2.67Å; Y438-D447 HydrophobicContact CE2-CB 3.9Å
439Q84.8Confident87.3Confident153 Ų15339 Ų3972%0.71521%0.206SC*.EExtended strand (participates in β ladder)trans-74.4117.9174.6-174.4169.2-3.100109.9I444Q439-I444 HydrophobicContact CB-CD1 4.01Å; Q439-I444 HydrophobicContact CG-CD1 3.99Å
440M82.2Confident87.4Confident26 Ų2636.8 Ų36.813%0.12820%0.195CC..EExtended strand (participates in β ladder)trans-102.8168.1171.7-52.8-76119.900109.3L364 L378 Y438 S442 S443 L445L364-M440 HydrophobicContact CD1-CE 3.53Å; L364-M440 HydrophobicContact CD1-SD 4.01Å; L378-M440 HydrophobicContact CD1-SD 4.28Å; L378-M440 HydrophobicContact CD2-SD 4.43Å; Y438-M440 VanDerWaalsContact CB-CE 3.42Å; Y438-M440 HydrophobicContact CG-CE 4.48Å; Y438-M440 PolarHBondContact O-N 3.21Å; M440-S442 PolarHBondContact O-N 3.49Å; M440-S443 CarbonylContact C-O 3.55Å; M440-S443 WeakPolarHBondContact CA-O 3.36Å; M440-S443 WeakPolarHBondContact CB-O 3.28Å; M440-S443 PolarHBondContact N-O 3.06Å; M440-L445 HydrophobicContact CE-CB 4.21Å; M440-L445 HydrophobicContact CE-CD2 4.41Å; M440-L445 HydrophobicContact CG-CB 3.94Å; M440-L445 HydrophobicContact SD-CB 4.48Å
441N77.6Confident87.2Confident179 Ų17934.9 Ų34.996%0.95718%0.184SC*.THydrogen-bonded Turntrans-49.5-32.9-176.4-67.2-8.1000115
442S83Confident86.8Confident88 Ų8835.9 Ų35.962%0.61519%0.188SC*.THydrogen-bonded Turntrans-145.923.8-177.7630000114.1M440 K474M440-S442 PolarHBondContact O-N 3.49Å; S442-K474 PolarHBondContact O-NZ 3.25Å; S442-K474 VanDerWaalsContact O-NZ 3.12Å; S442-K474 PolarHBondContact OG-NZ 3.23Å; S442-K474 VanDerWaalsContact OG-NZ 3.13Å
443S88.7Confident86.4Confident20 Ų2035 Ų3514%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-168.4164.8-179.255.20000111S389 F390 M440S389-S443 VanDerWaalsContact OG-CB 3.3Å; S389-S443 WeakPolarHBondContact OG-CB 3.47Å; S389-S443 PolarHBondContact OG-OG 2.82Å; F390-S443 CarbonylContact O-C 3.48Å; F390-S443 WeakPolarHBondContact O-CA 3.06Å; F390-S443 WeakPolarHBondContact O-CB 3.3Å; M440-S443 CarbonylContact C-O 3.55Å; M440-S443 WeakPolarHBondContact CA-O 3.36Å; M440-S443 WeakPolarHBondContact CB-O 3.28Å; M440-S443 PolarHBondContact N-O 3.06Å
444I89.2Confident85.9Confident8 Ų835.4 Ų35.44%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-103.1122.2168.5-55.4-58.1000108.6S389 F390 I392 L394 A437 Y438 Q439 L446S389-I444 CarbonylContact C-O 3.48Å; S389-I444 WeakPolarHBondContact CA-O 3.43Å; F390-I444 HydrophobicContact CB-CB 4.43Å; F390-I444 PolarHBondContact N-O 3Å; F390-I444 PolarHBondContact O-N 3.31Å; I392-I444 WeakPolarHBondContact O-CG1 3.37Å; L394-I444 HydrophobicContact CB-CD1 4.02Å; L394-I444 HydrophobicContact CD1-CD1 4.48Å; L394-I444 HydrophobicContact CD1-CG2 4.07Å; A437-I444 HydrophobicContact CB-CG2 4.06Å; Y438-I444 WeakPolarHBondContact O-CA 3.41Å; Q439-I444 HydrophobicContact CB-CD1 4.01Å; Q439-I444 HydrophobicContact CG-CD1 3.99Å; I444-L446 HydrophobicContact CG2-CD2 4.1Å; I444-L446 HydrophobicContact CG2-CG 4.48Å
445L89.3Confident85.5Confident24 Ų2433.8 Ų33.813%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-87.2120171.7178.868.4000108.8L381 R387 A437 Y438 M440L381-L445 HydrophobicContact CD2-CD2 3.98Å; R387-L445 HydrophobicContact CB-CD1 4.28Å; A437-L445 WeakPolarHBondContact CA-O 3.01Å; Y438-L445 PolarHBondContact N-O 2.88Å; Y438-L445 PolarHBondContact O-N 2.67Å; M440-L445 HydrophobicContact CE-CB 4.21Å; M440-L445 HydrophobicContact CE-CD2 4.41Å; M440-L445 HydrophobicContact CG-CB 3.94Å; M440-L445 HydrophobicContact SD-CB 4.48Å
446L91.1Very high85.1Confident0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-101.6120.1173.7-61.3173.3000109.2R387 L388 F390 V401 V435 A436 A437 I444 F448R387-L446 WeakPolarHBondContact CA-O 3.39Å; L388-L446 HydrophobicContact CB-CB 4.37Å; L388-L446 PolarHBondContact N-O 2.94Å; L388-L446 PolarHBondContact O-N 2.78Å; F390-L446 HydrophobicContact CD1-CD1 3.91Å; F390-L446 HydrophobicContact CD2-CD1 3.61Å; F390-L446 HydrophobicContact CE1-CD1 3.75Å; F390-L446 HydrophobicContact CE2-CD1 3.43Å; F390-L446 VanDerWaalsContact CE2-CD1 3.43Å; F390-L446 HydrophobicContact CG-CD1 3.84Å; F390-L446 HydrophobicContact CZ-CD1 3.47Å; F390-L446 VanDerWaalsContact CZ-CD1 3.47Å; V401-L446 HydrophobicContact CG2-CD1 3.69Å; V435-L446 HydrophobicContact CG1-CB 4.36Å; V435-L446 HydrophobicContact CG1-CD2 4.4Å; A436-L446 WeakPolarHBondContact O-CA 3.47Å; A437-L446 HydrophobicContact CB-CD2 3.58Å; I444-L446 HydrophobicContact CG2-CD2 4.1Å; I444-L446 HydrophobicContact CG2-CG 4.48Å; L446-F448 HydrophobicContact CB-CD2 4.42Å; L446-F448 HydrophobicContact CB-CE2 3.82Å
447D87.5Confident85Confident1 Ų134.3 Ų34.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-108.4107.4178.8-164.823.6000109.7R387 V435 A436 Y438 R449R387-D447 HydrophobicContact CG-CB 4.46Å; R387-D447 VanDerWaalsContact CG-OD1 3.26Å; R387-D447 WeakPolarHBondContact CG-OD1 3.25Å; R387-D447 IonicContact CZ-OD1 3.28Å; R387-D447 IonicContact NE-OD1 2.86Å; R387-D447 PolarHBondContact NE-OD1 3.34Å; R387-D447 IonicContact NE-OD2 2.81Å; R387-D447 IonicContact NH2-OD1 2.88Å; R387-D447 IonicContact NH2-OD2 2.79Å; R387-D447 PolarHBondContact NH2-OD2 2.67Å; V435-D447 WeakPolarHBondContact CA-O 3.19Å; A436-D447 PolarHBondContact N-O 3.22Å; A436-D447 PolarHBondContact O-N 2.91Å; Y438-D447 HydrophobicContact CE2-CB 3.9Å; D447-R449 IonicContact OD2-CZ 3.79Å; D447-R449 VanDerWaalsContact OD2-CZ 3.23Å; D447-R449 IonicContact OD2-NE 3.78Å; D447-R449 PolarHBondContact OD2-NE 3.17Å; D447-R449 IonicContact OD2-NH2 2.92Å; D447-R449 PolarHBondContact OD2-NH2 2.88Å
448F90.8Very high84.9Confident0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-90.4118.8176.9-63.6-114000108.8T386 L388 V401 F433 K434 V435 L446 F458 F462 L465 L469T386-F448 WeakPolarHBondContact CB-O 3.18Å; T386-F448 WeakPolarHBondContact O-CB 3.25Å; T386-F448 WeakPolarHBondContact O-CD2 3.32Å; T386-F448 PolarHBondContact O-N 3.42Å; T386-F448 VanDerWaalsContact O-N 3.09Å; T386-F448 PolarHBondContact OG1-O 2.81Å; T386-F448 VanDerWaalsContact OG1-O 3.08Å; L388-F448 HydrophobicContact CB-CE2 4.49Å; L388-F448 HydrophobicContact CD1-CE2 3.84Å; L388-F448 HydrophobicContact CD1-CZ 4.17Å; L388-F448 HydrophobicContact CG-CE2 4.06Å; V401-F448 HydrophobicContact CG1-CE1 4.18Å; V401-F448 HydrophobicContact CG1-CZ 4.23Å; V401-F448 HydrophobicContact CG2-CZ 4.15Å; F433-F448 HydrophobicContact CD2-CD1 4.3Å; F433-F448 AromaticContact CE2-CD1 3.96Å; F433-F448 HydrophobicContact CE2-CD1 3.96Å; F433-F448 HydrophobicContact CE2-CE1 4.44Å; K434-F448 WeakPolarHBondContact O-CA 2.97Å; V435-F448 HydrophobicContact CB-CD1 4.4Å; V435-F448 HydrophobicContact CB-CE1 4.42Å; V435-F448 HydrophobicContact CG1-CD1 4.17Å; V435-F448 HydrophobicContact CG1-CD2 4.08Å; V435-F448 HydrophobicContact CG1-CE1 3.98Å; V435-F448 HydrophobicContact CG1-CE2 3.89Å; V435-F448 HydrophobicContact CG1-CG 4.2Å; V435-F448 HydrophobicContact CG1-CZ 3.84Å; V435-F448 HydrophobicContact CG2-CD1 3.43Å; V435-F448 VanDerWaalsContact CG2-CD1 3.43Å; V435-F448 HydrophobicContact CG2-CE1 3.53Å; V435-F448 HydrophobicContact CG2-CG 4.07Å; V435-F448 HydrophobicContact CG2-CZ 4.26Å; L446-F448 HydrophobicContact CB-CD2 4.42Å; L446-F448 HydrophobicContact CB-CE2 3.82Å; F448-F458 HydrophobicContact CB-CE2 4.39Å; F448-F458 HydrophobicContact CB-CZ 3.92Å; F448-F462 HydrophobicContact CB-CD2 3.91Å; F448-F462 HydrophobicContact CB-CE2 4.18Å; F448-F462 HydrophobicContact CD1-CD2 4.01Å; F448-F462 HydrophobicContact CD1-CE2 4.37Å; F448-F462 HydrophobicContact CD2-CD2 4.06Å; F448-F462 AromaticContact CD2-CE2 3.63Å; F448-F462 HydrophobicContact CD2-CE2 3.63Å; F448-F462 HydrophobicContact CE2-CE2 4.07Å; F448-F462 AromaticContact CG-CD2 3.74Å; F448-F462 HydrophobicContact CG-CD2 3.74Å; F448-F462 AromaticContact CG-CE2 3.82Å; F448-F462 HydrophobicContact CG-CE2 3.82Å; F448-L465 HydrophobicContact CD1-CD1 4.48Å; F448-L465 HydrophobicContact CE1-CD1 4.12Å; F448-L469 HydrophobicContact CZ-CD1 4.07Å
449R85.3Confident84.9Confident33 Ų3330.7 Ų30.713%0.12517%0.169CC..EExtended strand (participates in β ladder)trans-123.8128.7-177.7-65.4-167.1-174.9178.77.8111.9F433 K434 D447 S451F433-R449 CarbonylContact C-O 3.53Å; F433-R449 WeakPolarHBondContact CA-O 3.35Å; F433-R449 VanDerWaalsContact CB-O 3.22Å; F433-R449 WeakPolarHBondContact CB-O 3.45Å; K434-R449 PolarHBondContact N-O 2.95Å; K434-R449 PolarHBondContact O-N 3.08Å; D447-R449 IonicContact OD2-CZ 3.79Å; D447-R449 VanDerWaalsContact OD2-CZ 3.23Å; D447-R449 IonicContact OD2-NE 3.78Å; D447-R449 PolarHBondContact OD2-NE 3.17Å; D447-R449 IonicContact OD2-NH2 2.92Å; D447-R449 PolarHBondContact OD2-NH2 2.88Å; R449-S451 PolarHBondContact O-N 3.23Å
450L84.6Confident85.2Confident13 Ų1326.9 Ų26.97%0.06815%0.148CC..EExtended strand (participates in β ladder)trans-63.1133.8168.2-174.362.6000109.6L431 K452 F458L431-L450 HydrophobicContact CD2-CD1 4.29Å; L431-L450 HydrophobicContact CG-CD1 4.27Å; L450-K452 VanDerWaalsContact CD1-O 3.25Å; L450-K452 WeakPolarHBondContact CD1-O 3.39Å; L450-F458 HydrophobicContact CB-CD1 3.83Å; L450-F458 HydrophobicContact CB-CE1 4.12Å; L450-F458 HydrophobicContact CB-CG 4.19Å; L450-F458 HydrophobicContact CD1-CB 3.78Å; L450-F458 HydrophobicContact CD1-CD1 4.42Å; L450-F458 HydrophobicContact CD1-CD2 4.42Å; L450-F458 HydrophobicContact CD1-CG 3.96Å
451S81.3Confident85.6Confident20 Ų2026.6 Ų26.614%0.1415%0.147CC..EExtended strand (participates in β ladder)trans-111-38.5171.7174.30000111I351 I432 R449I351-S451 WeakPolarHBondContact CG2-O 3.37Å; I432-S451 WeakPolarHBondContact O-CA 3.36Å; I432-S451 WeakPolarHBondContact O-CB 3.49Å; I432-S451 PolarHBondContact O-N 3.38Å; R449-S451 PolarHBondContact O-N 3.23Å
452K79.3Confident86.3Confident23 Ų2318.1 Ų18.110%0.110%0.101CC..EExtended strand (participates in β ladder)trans-149.5146.5176.6-177.2179.3179.6-173.50110.3D347 I351 T430 L431 I432 L450D347-K452 PolarHBondContact O-NZ 3.5Å; I351-K452 HydrophobicContact CG1-CD 4.31Å; I351-K452 HydrophobicContact CG1-CG 4.25Å; T430-K452 HydrophobicContact CG2-CD 4.42Å; L431-K452 CarbonylContact C-O 3.57Å; L431-K452 VanDerWaalsContact CA-O 3.32Å; L431-K452 WeakPolarHBondContact CA-O 3.44Å; I432-K452 HydrophobicContact CB-CB 4.13Å; I432-K452 HydrophobicContact CD1-CB 4.45Å; I432-K452 HydrophobicContact CD1-CD 4.41Å; I432-K452 HydrophobicContact CG1-CB 4.33Å; I432-K452 PolarHBondContact N-O 3.17Å; I432-K452 PolarHBondContact O-N 3.32Å; L450-K452 VanDerWaalsContact CD1-O 3.25Å; L450-K452 WeakPolarHBondContact CD1-O 3.39Å
453G81Confident86.6Confident19 Ų1916.9 Ų16.920%0.1969%0.087CC..SBendtrans112.1-170.5173.200000112.3
454D81.9Confident86.9Confident11 Ų1122.2 Ų22.26%0.05911%0.108CC..  trans-76.8128.6-179.7-177.2-86.7000111.5L218 R427 L456 D457 F458L218-D454 WeakPolarHBondContact CD1-OD2 3.38Å; R427-D454 IonicContact CZ-OD2 3.11Å; R427-D454 VanDerWaalsContact CZ-OD2 3.28Å; R427-D454 IonicContact NH1-OD2 3.13Å; R427-D454 PolarHBondContact NH1-OD2 3.3Å; R427-D454 IonicContact NH2-OD1 3.36Å; R427-D454 PolarHBondContact NH2-OD1 3.02Å; R427-D454 IonicContact NH2-OD2 3.8Å; R427-D454 PolarHBondContact NH2-OD2 3.45Å; D454-L456 WeakPolarHBondContact OD1-CA 3.15Å; D454-L456 WeakPolarHBondContact OD1-CB 3.43Å; D454-L456 PolarHBondContact OD1-N 3.4Å; D454-D457 HydrophobicContact CB-CB 4.17Å; D454-D457 PolarHBondContact OD1-N 3.49Å; D454-F458 PolarHBondContact O-N 3.46Å; D454-F458 VanDerWaalsContact O-N 3.12Å
455G80.9Confident87.1Confident0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-57.7-54176.300000113.1Y104 E146 D457 F458 K459Y104-G455 VanDerWaalsContact CE2-O 3.28Å; Y104-G455 WeakPolarHBondContact CE2-O 3.25Å; Y104-G455 VanDerWaalsContact OH-C 3.23Å; Y104-G455 PolarHBondContact OH-O 2.78Å; E146-G455 PolarHBondContact OE1-N 2.82Å; E146-G455 VanDerWaalsContact OE1-N 3.07Å; G455-D457 VanDerWaalsContact C-N 3.28Å; G455-D457 PolarHBondContact O-N 3.22Å; G455-F458 CarbonylContact O-C 3.58Å; G455-F458 WeakPolarHBondContact O-CA 3.32Å; G455-F458 VanDerWaalsContact O-CB 3.31Å; G455-F458 WeakPolarHBondContact O-CB 3.35Å; G455-F458 PolarHBondContact O-N 3.15Å; G455-K459 PolarHBondContact O-N 2.87Å
456L83.8Confident87.3Confident5 Ų524.6 Ų24.63%0.02612%0.117CC..Hα-helixtrans-60.8-39.1-172.9-68173.5000112.1Y104 I107 L218 D454 K459 R460Y104-L456 HydrophobicContact CE2-CD2 4.39Å; I107-L456 HydrophobicContact CG2-CD2 4.12Å; L218-L456 HydrophobicContact CD2-CD1 4.11Å; L218-L456 HydrophobicContact CG-CD1 4.09Å; D454-L456 WeakPolarHBondContact OD1-CA 3.15Å; D454-L456 WeakPolarHBondContact OD1-CB 3.43Å; D454-L456 PolarHBondContact OD1-N 3.4Å; L456-K459 WeakPolarHBondContact O-CB 3.42Å; L456-K459 PolarHBondContact O-N 3.18Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.64Å
457D86.5Confident87.5Confident17 Ų1727.7 Ų27.79%0.09114%0.143CC..Hα-helixtrans-62.5-41.4172.2-80.4-58.2000112.3D425 S426 R427 L431 D454 G455 K459 R460 M461D425-D457 HydrophobicContact CB-CB 3.9Å; S426-D457 VanDerWaalsContact CB-OD1 3.26Å; S426-D457 WeakPolarHBondContact CB-OD1 3.49Å; S426-D457 VanDerWaalsContact OG-CG 3.25Å; S426-D457 PolarHBondContact OG-OD1 3.12Å; S426-D457 PolarHBondContact OG-OD2 3.29Å; R427-D457 IonicContact CZ-OD2 3.61Å; R427-D457 IonicContact NE-OD2 3.42Å; R427-D457 IonicContact NH2-OD2 3.68Å; R427-D457 PolarHBondContact NH2-OD2 2.83Å; L431-D457 HydrophobicContact CD1-CB 4.03Å; D454-D457 HydrophobicContact CB-CB 4.17Å; D454-D457 PolarHBondContact OD1-N 3.49Å; G455-D457 VanDerWaalsContact C-N 3.28Å; G455-D457 PolarHBondContact O-N 3.22Å; D457-K459 VanDerWaalsContact C-N 3.34Å; D457-K459 PolarHBondContact O-N 2.77Å; D457-R460 PolarHBondContact O-N 3.2Å; D457-M461 WeakPolarHBondContact O-CB 3.38Å; D457-M461 PolarHBondContact O-N 3.15Å
458F89Confident87.8Confident3 Ų331.1 Ų31.11%0.01316%0.161CC..Hα-helixtrans-59.6-42.9172.3166.1-112.9000112.1Y104 T386 L431 F433 F448 L450 D454 G455 M461 F462Y104-F458 HydrophobicContact CE1-CD1 4.32Å; Y104-F458 WeakPolarHBondContact OH-CD1 3.34Å; T386-F458 HydrophobicContact CG2-CE1 3.82Å; T386-F458 HydrophobicContact CG2-CZ 4.21Å; L431-F458 HydrophobicContact CD1-CB 4.19Å; L431-F458 HydrophobicContact CD2-CB 4.48Å; F433-F458 HydrophobicContact CB-CD2 3.78Å; F433-F458 HydrophobicContact CB-CE2 3.52Å; F433-F458 HydrophobicContact CB-CZ 4.39Å; F433-F458 HydrophobicContact CD1-CD2 4.17Å; F433-F458 HydrophobicContact CD1-CE2 4.27Å; F433-F458 AromaticContact CD2-CE2 3.86Å; F433-F458 HydrophobicContact CD2-CE2 3.86Å; F433-F458 AromaticContact CG-CD2 3.93Å; F433-F458 HydrophobicContact CG-CD2 3.93Å; F433-F458 AromaticContact CG-CE2 3.63Å; F433-F458 HydrophobicContact CG-CE2 3.63Å; F448-F458 HydrophobicContact CB-CE2 4.39Å; F448-F458 HydrophobicContact CB-CZ 3.92Å; L450-F458 HydrophobicContact CB-CD1 3.83Å; L450-F458 HydrophobicContact CB-CE1 4.12Å; L450-F458 HydrophobicContact CB-CG 4.19Å; L450-F458 HydrophobicContact CD1-CB 3.78Å; L450-F458 HydrophobicContact CD1-CD1 4.42Å; L450-F458 HydrophobicContact CD1-CD2 4.42Å; L450-F458 HydrophobicContact CD1-CG 3.96Å; D454-F458 PolarHBondContact O-N 3.46Å; D454-F458 VanDerWaalsContact O-N 3.12Å; G455-F458 CarbonylContact O-C 3.58Å; G455-F458 WeakPolarHBondContact O-CA 3.32Å; G455-F458 VanDerWaalsContact O-CB 3.31Å; G455-F458 WeakPolarHBondContact O-CB 3.35Å; G455-F458 PolarHBondContact O-N 3.15Å; F458-M461 HydrophobicContact CD2-CE 4.29Å; F458-M461 PolarHBondContact O-N 3.07Å; F458-F462 WeakPolarHBondContact O-CB 3.47Å; F458-F462 PolarHBondContact O-N 3.18Å
459K86.3Confident88Confident1 Ų131.3 Ų31.30%0.00416%0.162CC..Hα-helixtrans-62.2-43.3175.2-106.3167.3-169.3-172.20112.8Y104 D105 I107 G108 P110 M385 T386 G455 L456 D457 M461 F462 L463Y104-K459 HydrophobicContact CE2-CD 3.73Å; Y104-K459 HydrophobicContact CE2-CG 4.43Å; Y104-K459 PolarHBondContact O-NZ 3.36Å; Y104-K459 WeakPolarHBondContact OH-CB 3.44Å; Y104-K459 WeakPolarHBondContact OH-CD 2.96Å; Y104-K459 WeakPolarHBondContact OH-CG 3.39Å; Y104-K459 PolarHBondContact OH-N 2.79Å; D105-K459 PolarHBondContact O-NZ 3.41Å; I107-K459 PolarHBondContact O-NZ 3.13Å; G108-K459 WeakPolarHBondContact O-CD 3.45Å; G108-K459 PolarHBondContact O-NZ 3.22Å; P110-K459 HydrophobicContact CG-CB 4.36Å; M385-K459 HydrophobicContact CE-CB 4.2Å; M385-K459 HydrophobicContact CE-CD 4.38Å; M385-K459 HydrophobicContact CE-CG 3.72Å; M385-K459 HydrophobicContact SD-CD 4.08Å; M385-K459 HydrophobicContact SD-CG 3.96Å; T386-K459 HydrophobicContact CG2-CG 4.48Å; G455-K459 PolarHBondContact O-N 2.87Å; L456-K459 WeakPolarHBondContact O-CB 3.42Å; L456-K459 PolarHBondContact O-N 3.18Å; D457-K459 VanDerWaalsContact C-N 3.34Å; D457-K459 PolarHBondContact O-N 2.77Å; K459-M461 VanDerWaalsContact C-N 3.3Å; K459-M461 PolarHBondContact O-N 3.45Å; K459-F462 PolarHBondContact O-N 2.99Å; K459-L463 WeakPolarHBondContact O-CG 3.39Å; K459-L463 PolarHBondContact O-N 2.73Å
460R89.2Confident88.4Confident73 Ų7333.1 Ų33.128%0.27518%0.179SC..Hα-helixtrans-60.2-43174.8-69.9171.1-165.3-74.3-5.5111.2P110 D111 L456 D457 L463 K464P110-R460 HydrophobicContact CB-CG 3.68Å; P110-R460 HydrophobicContact CG-CG 3.87Å; D111-R460 IonicContact OD1-CZ 2.67Å; D111-R460 IonicContact OD1-NH1 2.68Å; D111-R460 PolarHBondContact OD1-NH1 3.36Å; D111-R460 IonicContact OD1-NH2 3.9Å; D111-R460 PolarHBondContact OD1-NH2 3.08Å; D111-R460 IonicContact OD2-CZ 3.9Å; D111-R460 IonicContact OD2-NH1 3.75Å; D111-R460 PolarHBondContact OD2-NH1 3Å; D111-R460 IonicContact OD2-NH2 3.47Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.64Å; D457-R460 PolarHBondContact O-N 3.2Å; R460-L463 PolarHBondContact O-N 3.12Å; R460-K464 PolarHBondContact O-N 3.36Å
461M90.6Very high88.8Confident20 Ų2036.8 Ų36.810%0.09920%0.204CC..Hα-helixtrans-68.4-42.6178.6-174.2168.458.900112M408 M410 T423 L431 F433 D457 F458 K459 L463 K464 L465M408-M461 HydrophobicContact CE-CG 3.96Å; M410-M461 HydrophobicContact CE-CG 3.56Å; M410-M461 HydrophobicContact CE-SD 3.54Å; M410-M461 VanDerWaalsContact CE-SD 3.54Å; M410-M461 HydrophobicContact SD-CE 4.39Å; M410-M461 HydrophobicContact SD-CG 4.26Å; M410-M461 HydrophobicContact SD-SD 3.49Å; T423-M461 HydrophobicContact CG2-CE 3.79Å; T423-M461 HydrophobicContact CG2-SD 3.71Å; L431-M461 HydrophobicContact CD1-CE 4.36Å; L431-M461 HydrophobicContact CD2-CE 3.39Å; F433-M461 HydrophobicContact CD1-CE 3.46Å; F433-M461 VanDerWaalsContact CD1-CE 3.46Å; F433-M461 HydrophobicContact CE1-CE 3.2Å; F433-M461 HydrophobicContact CE1-SD 4.1Å; F433-M461 HydrophobicContact CZ-CE 4.17Å; D457-M461 WeakPolarHBondContact O-CB 3.38Å; D457-M461 PolarHBondContact O-N 3.15Å; F458-M461 HydrophobicContact CD2-CE 4.29Å; F458-M461 PolarHBondContact O-N 3.07Å; K459-M461 VanDerWaalsContact C-N 3.3Å; K459-M461 PolarHBondContact O-N 3.45Å; M461-L463 VanDerWaalsContact C-N 3.28Å; M461-L463 PolarHBondContact O-N 3.04Å; M461-K464 WeakPolarHBondContact O-CB 3.24Å; M461-K464 PolarHBondContact O-N 3.12Å; M461-K464 VanDerWaalsContact O-N 3.12Å; M461-L465 PolarHBondContact O-N 2.87Å
462F92.2Very high89.3Confident1 Ų137.9 Ų37.90%0.00421%0.207CC..Hα-helixtrans-57.5-41.1173.4171-93.7000111.5M385 T386 L388 F448 F458 K459 K464 L465 K466M385-F462 HydrophobicContact CE-CD1 4.29Å; M385-F462 WeakPolarHBondContact O-CE1 3.41Å; M385-F462 VanDerWaalsContact O-CZ 3.23Å; M385-F462 WeakPolarHBondContact O-CZ 3.43Å; T386-F462 HydrophobicContact CG2-CB 4.39Å; T386-F462 HydrophobicContact CG2-CD1 4.02Å; T386-F462 HydrophobicContact CG2-CD2 4.31Å; T386-F462 HydrophobicContact CG2-CE1 4.47Å; T386-F462 HydrophobicContact CG2-CG 3.94Å; L388-F462 HydrophobicContact CD1-CE2 4.28Å; L388-F462 HydrophobicContact CD1-CZ 4.44Å; L388-F462 HydrophobicContact CD2-CE2 4.31Å; L388-F462 HydrophobicContact CD2-CZ 3.7Å; L388-F462 HydrophobicContact CG-CE2 4.04Å; L388-F462 HydrophobicContact CG-CZ 3.94Å; F448-F462 HydrophobicContact CB-CD2 3.91Å; F448-F462 HydrophobicContact CB-CE2 4.18Å; F448-F462 HydrophobicContact CD1-CD2 4.01Å; F448-F462 HydrophobicContact CD1-CE2 4.37Å; F448-F462 HydrophobicContact CD2-CD2 4.06Å; F448-F462 AromaticContact CD2-CE2 3.63Å; F448-F462 HydrophobicContact CD2-CE2 3.63Å; F448-F462 HydrophobicContact CE2-CE2 4.07Å; F448-F462 AromaticContact CG-CD2 3.74Å; F448-F462 HydrophobicContact CG-CD2 3.74Å; F448-F462 AromaticContact CG-CE2 3.82Å; F448-F462 HydrophobicContact CG-CE2 3.82Å; F458-F462 WeakPolarHBondContact O-CB 3.47Å; F458-F462 PolarHBondContact O-N 3.18Å; K459-F462 PolarHBondContact O-N 2.99Å; F462-K464 VanDerWaalsContact C-N 3.33Å; F462-K464 PolarHBondContact O-N 3.16Å; F462-L465 PolarHBondContact O-N 3.14Å; F462-K466 HydrophobicContact CE1-CB 4.27Å; F462-K466 HydrophobicContact CE1-CD 3.98Å; F462-K466 HydrophobicContact CZ-CB 4.35Å; F462-K466 HydrophobicContact CZ-CD 4.25Å; F462-K466 VanDerWaalsContact O-CB 3.28Å; F462-K466 WeakPolarHBondContact O-CB 3.33Å; F462-K466 PolarHBondContact O-N 3.44Å
463L91.2Very high89.9Confident62 Ų6238.6 Ų38.633%0.32521%0.211SC..Hα-helixtrans-62.6-38.6176.2-75.9176.2000112.8P110 M385 K459 R460 M461 K466 A467P110-L463 HydrophobicContact CG-CD1 3.6Å; M385-L463 HydrophobicContact CE-CD1 3.85Å; M385-L463 HydrophobicContact CE-CD2 3.69Å; M385-L463 HydrophobicContact CE-CG 3.57Å; K459-L463 WeakPolarHBondContact O-CG 3.39Å; K459-L463 PolarHBondContact O-N 2.73Å; R460-L463 PolarHBondContact O-N 3.12Å; M461-L463 VanDerWaalsContact C-N 3.28Å; M461-L463 PolarHBondContact O-N 3.04Å; L463-K466 PolarHBondContact O-N 3.31Å; L463-A467 PolarHBondContact O-N 2.94Å
464K93.6Very high89.9Confident132 Ų13241.5 Ų41.557%0.57422%0.219SC*.Hα-helixtrans-65.7-45.2173.8-67.4177.2-178.1-179.70111.5M408 R460 M461 F462 K466 A467 L468M408-K464 HydrophobicContact CE-CB 3.49Å; M408-K464 VanDerWaalsContact CE-CB 3.49Å; M408-K464 HydrophobicContact CE-CD 3.68Å; M408-K464 HydrophobicContact CE-CG 4.24Å; M408-K464 HydrophobicContact SD-CB 3.89Å; R460-K464 PolarHBondContact O-N 3.36Å; M461-K464 WeakPolarHBondContact O-CB 3.24Å; M461-K464 PolarHBondContact O-N 3.12Å; M461-K464 VanDerWaalsContact O-N 3.12Å; F462-K464 VanDerWaalsContact C-N 3.33Å; F462-K464 PolarHBondContact O-N 3.16Å; K464-K466 PolarHBondContact O-N 3.42Å; K464-A467 WeakPolarHBondContact O-CB 3.23Å; K464-A467 PolarHBondContact O-N 2.8Å; K464-L468 PolarHBondContact O-N 2.97Å; K464-L468 VanDerWaalsContact O-N 3.12Å
465L94.4Very high89.5Confident1 Ų149.2 Ų49.21%0.00525%0.254CS..Hα-helixtrans-59.6-45.5174.2-76.7170.7000111.4A404 M408 M410 F433 F448 M461 F462 A467 L468 L469A404-L465 HydrophobicContact CB-CD2 3.92Å; M408-L465 HydrophobicContact SD-CD2 3.6Å; M408-L465 VanDerWaalsContact SD-CD2 3.6Å; M408-L465 HydrophobicContact SD-CG 3.68Å; M410-L465 HydrophobicContact CE-CD1 4Å; M410-L465 HydrophobicContact CE-CD2 3.91Å; M410-L465 HydrophobicContact CE-CG 3.96Å; F433-L465 HydrophobicContact CE2-CD1 4.16Å; F433-L465 HydrophobicContact CZ-CD1 3.79Å; F448-L465 HydrophobicContact CD1-CD1 4.48Å; F448-L465 HydrophobicContact CE1-CD1 4.12Å; M461-L465 PolarHBondContact O-N 2.87Å; F462-L465 PolarHBondContact O-N 3.14Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 2.99Å; L465-L468 PolarHBondContact O-N 3.09Å; L465-L468 VanDerWaalsContact O-N 3.16Å; L465-L469 HydrophobicContact CB-CD1 4.44Å; L465-L469 VanDerWaalsContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 3.3Å
466K93.3Very high88.6Confident82 Ų8253.9 Ų53.936%0.35729%0.293SS..Hα-helixtrans-58.4-38.3177179.6174.6-177.7177.90112L388 F462 L463 K464 L469 S470 I473L388-K466 HydrophobicContact CD2-CB 4.4Å; L388-K466 HydrophobicContact CD2-CD 3.89Å; L388-K466 HydrophobicContact CD2-CG 3.83Å; F462-K466 HydrophobicContact CE1-CB 4.27Å; F462-K466 HydrophobicContact CE1-CD 3.98Å; F462-K466 HydrophobicContact CZ-CB 4.35Å; F462-K466 HydrophobicContact CZ-CD 4.25Å; F462-K466 VanDerWaalsContact O-CB 3.28Å; F462-K466 WeakPolarHBondContact O-CB 3.33Å; F462-K466 PolarHBondContact O-N 3.44Å; L463-K466 PolarHBondContact O-N 3.31Å; K464-K466 PolarHBondContact O-N 3.42Å; K466-L469 PolarHBondContact O-N 3.1Å; K466-S470 PolarHBondContact O-N 3.29Å; K466-I473 HydrophobicContact CG-CD1 3.81Å
467A93.9Very high86.5Confident64 Ų6462.4 Ų62.453%0.52933%0.333SS..Hα-helixtrans-65.4-46175.500000111.7L463 K464 L465 L469 S470L463-A467 PolarHBondContact O-N 2.94Å; K464-A467 WeakPolarHBondContact O-CB 3.23Å; K464-A467 PolarHBondContact O-N 2.8Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 2.99Å; A467-L469 VanDerWaalsContact C-N 3.31Å; A467-L469 PolarHBondContact O-N 2.8Å; A467-S470 VanDerWaalsContact O-CB 3.29Å; A467-S470 WeakPolarHBondContact O-CB 3.28Å; A467-S470 PolarHBondContact O-N 2.84Å; A467-S470 PolarHBondContact O-OG 3.18Å
468L95.2Very high84Confident74 Ų7467.2 Ų67.239%0.38736%0.358SS..Hα-helixtrans-62.8-37176.1-67.7174.2000112.6A404 L407 M408 K464 L465 S470 P471A404-L468 HydrophobicContact CB-CB 4.24Å; A404-L468 HydrophobicContact CB-CD1 4.37Å; L407-L468 HydrophobicContact CD2-CD1 4.14Å; L407-L468 HydrophobicContact CD2-CD2 3.87Å; M408-L468 HydrophobicContact CG-CD1 3.63Å; M408-L468 HydrophobicContact SD-CD1 3.9Å; K464-L468 PolarHBondContact O-N 2.97Å; K464-L468 VanDerWaalsContact O-N 3.12Å; L465-L468 PolarHBondContact O-N 3.09Å; L465-L468 VanDerWaalsContact O-N 3.16Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-P471 WeakPolarHBondContact O-CD 3.3Å
469L95Very high81.7Confident3 Ų373.1 Ų73.12%0.01640%0.397CS..THydrogen-bonded Turntrans-86.1-2.8-178.3-66.1170.7000113.6L388 F390 K400 V401 A404 F448 L465 K466 A467 P471 H472L388-L469 HydrophobicContact CD1-CB 4.43Å; L388-L469 HydrophobicContact CD1-CD1 4.03Å; F390-L469 HydrophobicContact CE1-CB 4.25Å; F390-L469 HydrophobicContact CE2-CD2 4.41Å; F390-L469 HydrophobicContact CZ-CB 3.82Å; F390-L469 HydrophobicContact CZ-CD1 4.06Å; F390-L469 HydrophobicContact CZ-CD2 3.95Å; F390-L469 HydrophobicContact CZ-CG 4.14Å; K400-L469 HydrophobicContact CB-CD2 4.27Å; K400-L469 WeakPolarHBondContact O-CD2 3.22Å; V401-L469 HydrophobicContact CG2-CD1 4.07Å; V401-L469 HydrophobicContact CG2-CD2 4.48Å; A404-L469 HydrophobicContact CB-CD2 3.76Å; A404-L469 HydrophobicContact CB-CG 4.04Å; F448-L469 HydrophobicContact CZ-CD1 4.07Å; L465-L469 HydrophobicContact CB-CD1 4.44Å; L465-L469 VanDerWaalsContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 3.3Å; K466-L469 PolarHBondContact O-N 3.1Å; A467-L469 VanDerWaalsContact C-N 3.31Å; A467-L469 PolarHBondContact O-N 2.8Å; L469-P471 VanDerWaalsContact C-N 3.29Å; L469-P471 WeakPolarHBondContact O-CD 3.45Å; L469-P471 VanDerWaalsContact O-N 3.14Å; L469-H472 PolarHBondContact O-N 2.74Å
470S93.4Very high79.3Confident71 Ų7181.8 Ų81.850%0.49744%0.435SS..G310 helixtrans-51.4-34.5-175.563.10000115.9K466 A467 L468 H472 I473K466-S470 PolarHBondContact O-N 3.29Å; A467-S470 VanDerWaalsContact O-CB 3.29Å; A467-S470 WeakPolarHBondContact O-CB 3.28Å; A467-S470 PolarHBondContact O-N 2.84Å; A467-S470 PolarHBondContact O-OG 3.18Å; L468-S470 VanDerWaalsContact C-N 3.32Å; S470-H472 PolarHBondContact O-N 3.44Å; S470-I473 PolarHBondContact O-N 3.15Å
471P93.6Very high76.5Confident91 Ų9186.6 Ų86.659%0.59146%0.46SS*.G310 helixtrans-63.5-21.8177.8-23.336.3000114.2H391 L468 L469H391-P471 PolarHBondContact CE1-O 3.27Å; L468-P471 WeakPolarHBondContact O-CD 3.3Å; L469-P471 VanDerWaalsContact C-N 3.29Å; L469-P471 WeakPolarHBondContact O-CD 3.45Å; L469-P471 VanDerWaalsContact O-N 3.14Å
472H92.1Very high73.9Confident43 Ų4391.1 Ų91.120%0.19949%0.491CS..G310 helixtrans-101.2-13.1-175.7-53.7-56.7000113.1F390 H391 I392 K400 L469 S470 K474F390-H472 WeakPolarHBondContact CA-O 3.22Å; F390-H472 HydrophobicContact CD1-CB 4.2Å; F390-H472 HydrophobicContact CD2-CB 3.93Å; F390-H472 HydrophobicContact CE1-CB 4.19Å; F390-H472 HydrophobicContact CE2-CB 3.93Å; F390-H472 HydrophobicContact CG-CB 4.1Å; F390-H472 HydrophobicContact CZ-CB 4.08Å; H391-H472 PolarHBondContact CE1-O 2.87Å; H391-H472 PolarHBondContact N-O 3.05Å; H391-H472 PolarHBondContact ND1-O 3.1Å; I392-H472 HydrophobicContact CD1-CB 4.08Å; K400-H472 WeakPolarHBondContact CD-NE2 3.46Å; L469-H472 PolarHBondContact O-N 2.74Å; S470-H472 PolarHBondContact O-N 3.44Å; H472-K474 PolarHBondContact O-N 3.23Å
473I90.1Very high71.4Confident37 Ų3796.2 Ų96.219%0.1953%0.527CS..BIsolated β-bridgetrans-70.6123.3-178.8-62.3171.2000109.2L388 S389 F390 K466 S470 Q475L388-I473 HydrophobicContact CD1-CD1 4.15Å; L388-I473 HydrophobicContact CD1-CG1 4.42Å; L388-I473 HydrophobicContact CD2-CD1 3.78Å; L388-I473 HydrophobicContact CD2-CG1 4.36Å; L388-I473 HydrophobicContact CG-CD1 4.48Å; S389-I473 CarbonylContact O-C 3.52Å; S389-I473 WeakPolarHBondContact O-CA 3.38Å; F390-I473 HydrophobicContact CD1-CG1 4.15Å; F390-I473 HydrophobicContact CE1-CG1 3.73Å; K466-I473 HydrophobicContact CG-CD1 3.81Å; S470-I473 PolarHBondContact O-N 3.15Å; I473-Q475 PolarHBondContact O-N 3.23Å; I473-Q475 VanDerWaalsContact O-N 3.14Å
474K82.4Confident68.7Low81 Ų81101.3 Ų101.335%0.35255%0.554SS.*  trans-61.2113.8169.8-169.6172.9-175.91730107.8S389 H391 S442 H472 A476S389-K474 WeakPolarHBondContact O-CB 3.43Å; S389-K474 PolarHBondContact O-N 2.93Å; H391-K474 HydrophobicContact CB-CB 4.46Å; S442-K474 PolarHBondContact O-NZ 3.25Å; S442-K474 VanDerWaalsContact O-NZ 3.12Å; S442-K474 PolarHBondContact OG-NZ 3.23Å; S442-K474 VanDerWaalsContact OG-NZ 3.13Å; H472-K474 PolarHBondContact O-N 3.23Å; K474-A476 PolarHBondContact O-N 3.39Å
475Q73.5Confident66.3Low173 Ų173100.2 Ų100.281%0.80856%0.564SS**PPolyproline II helixtrans-63.5136.5174.1-65.9-174.56.400108.5I473 Q477I473-Q475 PolarHBondContact O-N 3.23Å; I473-Q475 VanDerWaalsContact O-N 3.14Å; Q475-Q477 PolarHBondContact O-N 3.1Å; Q475-Q477 VanDerWaalsContact O-N 3.09Å
476A60.4Low63.6Low98 Ų98111.5 Ų111.581%0.8161%0.606SS**PPolyproline II helixtrans-60.4117.8172.100000107.4K474 D478K474-A476 PolarHBondContact O-N 3.39Å; A476-D478 PolarHBondContact O-N 2.87Å; A476-D478 VanDerWaalsContact O-N 3.11Å
477Q40.4Very low61Low184 Ų184112.2 Ų112.286%0.8663%0.627SS**PPolyproline II helixtrans-59.8118.9168.4-77.6-177.7-30.500106.7Q475 P479Q475-Q477 PolarHBondContact O-N 3.1Å; Q475-Q477 VanDerWaalsContact O-N 3.09Å; Q477-P479 VanDerWaalsContact O-CD 3.31Å; Q477-P479 WeakPolarHBondContact O-CD 3.33Å
478D34.8Very low58.4Low118 Ų118117.8 Ų117.863%0.63164%0.642SS**PPolyproline II helixtrans-58.4118.8175.8-157.8-10.3000106.9A476 K480 Q481A476-D478 PolarHBondContact O-N 2.87Å; A476-D478 VanDerWaalsContact O-N 3.11Å; D478-K480 PolarHBondContact O-N 2.63Å; D478-Q481 PolarHBondContact O-N 3.36Å
479P40.9Very low56Low127 Ų127120.2 Ų120.283%0.82566%0.663SS**THydrogen-bonded Turntrans-64.511.1-17322-31.6000114.5Q477Q477-P479 VanDerWaalsContact O-CD 3.31Å; Q477-P479 WeakPolarHBondContact O-CD 3.33Å
480K35.9Very low53.5Low183 Ų183124.9 Ų124.980%0.79670%0.702SS**THydrogen-bonded Turntrans-110.95180-74.2-168.8175.6-1770116D478 P482D478-K480 PolarHBondContact O-N 2.63Å; K480-P482 WeakPolarHBondContact O-CD 3.35Å
481Q28.9Very low51.3Low174 Ų174126.7 Ų126.781%0.81371%0.714SS**SBendtrans-96.9113.8170.7-77.7-169.3-13.100111.3D478 S483D478-Q481 PolarHBondContact O-N 3.36Å; Q481-S483 PolarHBondContact O-N 3.06Å
482P36.3Very low48.8Very low115 Ų115127.3 Ų127.375%0.74773%0.727SS**  trans-65.4134.4177.911.7-6.7000109.9K480 N484K480-P482 WeakPolarHBondContact O-CD 3.35Å; P482-N484 PolarHBondContact O-N 3.09Å
483S39.9Very low47Very low108 Ų108135.3 Ų135.376%0.75578%0.778SS**  trans-53.9121.1172.741.70000109.8Q481 S485Q481-S483 PolarHBondContact O-N 3.06Å; S483-S485 PolarHBondContact O-N 3.29Å
484N35.4Very low44.9Very low168 Ų168140.2 Ų140.290%0.89881%0.808SS**  trans-62.687.8167.6-82.3-23.2000108.6P482 R486P482-N484 PolarHBondContact O-N 3.09Å; N484-R486 PolarHBondContact O-N 2.89Å
485S42.2Very low42.9Very low110 Ų110143.3 Ų143.377%0.76983%0.832SS**  trans-67.1112.2167.645.70000108S483 A487S483-S485 PolarHBondContact O-N 3.29Å; S485-A487 PolarHBondContact O-N 3.11Å
486R37.5Very low41.2Very low237 Ų237141.7 Ų141.789%0.89483%0.833SS**  trans-51.9114.8175.5-156.1174.5-171.1173.80.7109N484 E488N484-R486 PolarHBondContact O-N 2.89Å; R486-E488 PolarHBondContact O-N 2.94Å
487A39.6Very low40.1Very low98 Ų98144.2 Ų144.281%0.8184%0.835SS**  trans-64.2115172.600000109.1S485S485-A487 PolarHBondContact O-N 3.11Å
488E38.8Very low40Very low180 Ų180141.8 Ų141.884%0.84183%0.833SS**PPolyproline II helixtrans-69.4137.6169.8-73.1-174.8153.100109.7R486 A490R486-E488 PolarHBondContact O-N 2.94Å; E488-A490 PolarHBondContact O-N 3.22Å
489P44.4Very low40.4Very low126 Ų126143.3 Ų143.382%0.81885%0.846SS**PPolyproline II helixtrans-74.4127-178.229.4-30.7000110.1S491P489-S491 PolarHBondContact O-N 3.45Å
490A44.3Very low40.3Very low101 Ų101144.5 Ų144.584%0.83585%0.848SS**PPolyproline II helixtrans-55.6121.9177.200000111.3E488 A492E488-A490 PolarHBondContact O-N 3.22Å; A490-A492 PolarHBondContact O-N 3.4Å
491S45.4Very low40.7Very low108 Ų108141.5 Ų141.576%0.75585%0.852SS**PPolyproline II helixtrans-62.4119.8169.152.70000110P489 V493P489-S491 PolarHBondContact O-N 3.45Å; S491-V493 PolarHBondContact O-N 3.43Å
492A42.6Very low41.7Very low105 Ų105138.8 Ų138.887%0.86886%0.855SS**PPolyproline II helixtrans-63128.4167.200000109.6A490A490-A492 PolarHBondContact O-N 3.4Å
493V53.9Low42.2Very low210 Ų210141 Ų141100%1.27387%0.865SS**  trans-100.40163.2177.60000107.8S491S491-V493 PolarHBondContact O-N 3.43Å

Retrieved 493 of 493 residues in 180.1 ms (Link to these results)

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