A0A5K4EXM2_SCHMA Loading...

HORMA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EXM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 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
1M38Very low30.6Very low243 Ų243148.5 Ų148.5100%1.19786%0.86SS**  01280-69.5-177.9-83.900107.1
2A28.8Very low32.4Very low109 Ų109138 Ų13890%0.90181%0.807SS**  trans-107.1119.4-178.200000109.7
3T26.9Very low35.8Very low134 Ų134131.2 Ų131.282%0.82277%0.765SS**PPolyproline II helixtrans-90.1116.5-177.4-22.10000109.5V5T3-V5 PolarHBondContact O-N 2.62Å
4A28Very low39.3Very low104 Ų104122.2 Ų122.286%0.8671%0.712SS**PPolyproline II helixtrans-71.2121.6174.700000110.3
5V27.7Very low42.1Very low133 Ų133118.9 Ų118.981%0.80670%0.698SS**PPolyproline II helixtrans-91.1128171.3179.50000108.3T3 V7T3-V5 PolarHBondContact O-N 2.62Å; V5-V7 PolarHBondContact O-N 2.57Å
6A28.7Very low44.6Very low88 Ų88120.6 Ų120.673%0.72770%0.695SS**PPolyproline II helixtrans-65.7120.5179.500000111K8A6-K8 PolarHBondContact O-N 3.29Å
7V29.2Very low47Very low135 Ų135115.1 Ų115.182%0.81866%0.661SS**  trans-64.1107.2170.2178.50000108.1V5 Q9V5-V7 PolarHBondContact O-N 2.57Å; V7-Q9 PolarHBondContact O-N 2.92Å; V7-Q9 VanDerWaalsContact O-N 3.13Å
8K29.2Very low49.4Very low194 Ų194108.8 Ų108.884%0.84363%0.625SS**  trans-59.8117.3167.2-77.8-176.8174.6-179.90107.8A6 N10A6-K8 PolarHBondContact O-N 3.29Å; K8-N10 PolarHBondContact O-N 2.84Å
9Q29.7Very low51.3Low176 Ų176104.3 Ų104.382%0.82260%0.6SS**  trans-57.2122.7168.2-70.8179.2-1700107.9V7 I11V7-Q9 PolarHBondContact O-N 2.92Å; V7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-I11 PolarHBondContact O-N 3.44Å
10N33Very low52.8Low158 Ų158102.7 Ų102.785%0.84559%0.589SS**  trans-72.6104.8179.3-149.97.8000107K8 G12K8-N10 PolarHBondContact O-N 2.84Å; N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 3.48Å
11I37.3Very low54.3Low160 Ų160103.2 Ų103.282%0.82159%0.587SS**  trans-71.794.7-179.7-60.4178.2000106.7Q9Q9-I11 PolarHBondContact O-N 3.44Å
12G52.5Low56.5Low22 Ų2291.7 Ų91.723%0.22753%0.53CS..  trans-63.9163.8-164.200000115.1N10 W14 E61N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 3.48Å; G12-W14 PolarHBondContact O-N 3.06Å; G12-E61 VanDerWaalsContact CA-OE1 3.28Å; G12-E61 WeakPolarHBondContact CA-OE1 3.48Å; G12-E61 WeakPolarHBondContact CA-OE2 3.27Å
13N75.9Confident59Low49 Ų4988.3 Ų88.326%0.26251%0.506SS..THydrogen-bonded Turntrans-69.5-0.3-174.5-154.855.9000113.5S15 K16 Q59 E61N13-S15 VanDerWaalsContact C-N 3.27Å; N13-S15 PolarHBondContact O-N 2.76Å; N13-S15 VanDerWaalsContact O-N 3.13Å; N13-K16 PolarHBondContact O-N 3.29Å; N13-K16 WeakPolarHBondContact OD1-CD 3.16Å; N13-K16 WeakPolarHBondContact OD1-CE 3.33Å; N13-K16 PolarHBondContact OD1-NZ 3.01Å; N13-Q59 PolarHBondContact ND2-O 3.07Å; N13-E61 PolarHBondContact N-OE1 3.48Å
14W84.7Confident61.8Low6 Ų685.2 Ų85.22%0.02349%0.487CS..Hα-helixtrans-35.3-53.4175-175.2-87.3000113.7G12 K16 M17 F18 P19 L22 F31 L60 E61 R162 T165G12-W14 PolarHBondContact O-N 3.06Å; W14-K16 PolarHBondContact O-N 2.99Å; W14-K16 VanDerWaalsContact O-N 3.13Å; W14-M17 CarbonylContact O-C 3.58Å; W14-M17 PolarHBondContact O-N 2.85Å; W14-F18 HydrophobicContact CD2-CB 4.15Å; W14-F18 HydrophobicContact CD2-CD2 4.25Å; W14-F18 VanDerWaalsContact CE2-CB 3.48Å; W14-F18 HydrophobicContact CE3-CD2 4.13Å; W14-F18 HydrophobicContact CH2-CB 4.35Å; W14-F18 AromaticContact CH2-CD2 3.66Å; W14-F18 HydrophobicContact CH2-CD2 3.66Å; W14-F18 HydrophobicContact CH2-CE2 4.3Å; W14-F18 HydrophobicContact CH2-CG 4.22Å; W14-F18 HydrophobicContact CZ2-CB 3.6Å; W14-F18 AromaticContact CZ2-CD2 3.81Å; W14-F18 HydrophobicContact CZ2-CD2 3.81Å; W14-F18 AromaticContact CZ2-CG 3.93Å; W14-F18 HydrophobicContact CZ2-CG 3.93Å; W14-F18 AromaticContact CZ3-CD2 3.84Å; W14-F18 HydrophobicContact CZ3-CD2 3.84Å; W14-F18 HydrophobicContact CZ3-CE2 4.4Å; W14-F18 PolarHBondContact O-N 3.2Å; W14-F18 VanDerWaalsContact O-O 3.13Å; W14-P19 PolarHBondContact NE1-O 2.78Å; W14-L22 HydrophobicContact CZ2-CD1 4.42Å; W14-F31 AromaticContact CH2-CE2 3.88Å; W14-F31 HydrophobicContact CH2-CE2 3.88Å; W14-F31 HydrophobicContact CZ2-CD2 4.3Å; W14-F31 AromaticContact CZ2-CE2 3.7Å; W14-F31 HydrophobicContact CZ2-CE2 3.7Å; W14-L60 HydrophobicContact CB-CD1 4.43Å; W14-L60 HydrophobicContact CE3-CD1 3.87Å; W14-L60 HydrophobicContact CZ3-CD1 4.49Å; W14-E61 PolarHBondContact N-OE1 2.83Å; W14-R162 HydrophobicContact CD2-CG 4.02Å; W14-R162 HydrophobicContact CE3-CB 4.49Å; W14-R162 HydrophobicContact CE3-CG 4.02Å; W14-R162 HydrophobicContact CH2-CB 4.12Å; W14-R162 HydrophobicContact CH2-CG 3.69Å; W14-R162 HydrophobicContact CZ2-CG 3.64Å; W14-R162 HydrophobicContact CZ3-CB 4.07Å; W14-R162 HydrophobicContact CZ3-CG 3.87Å; W14-T165 HydrophobicContact CH2-CG2 4.02Å; W14-T165 HydrophobicContact CZ3-CG2 4.18Å
15S82.3Confident64.7Low72 Ų7284.8 Ų84.850%0.50347%0.467SS..Hα-helixtrans-62-22.3-17357.50000115.1N13 F18N13-S15 VanDerWaalsContact C-N 3.27Å; N13-S15 PolarHBondContact O-N 2.76Å; N13-S15 VanDerWaalsContact O-N 3.13Å; S15-F18 WeakPolarHBondContact CA-O 3.19Å
16K82.3Confident67.7Low147 Ų14781.7 Ų81.764%0.63945%0.445SS*.Hα-helixtrans-76.1-35.4173.2-61-169.6-166.9146.60111.8N13 W14N13-K16 PolarHBondContact O-N 3.29Å; N13-K16 WeakPolarHBondContact OD1-CD 3.16Å; N13-K16 WeakPolarHBondContact OD1-CE 3.33Å; N13-K16 PolarHBondContact OD1-NZ 3.01Å; W14-K16 PolarHBondContact O-N 2.99Å; W14-K16 VanDerWaalsContact O-N 3.13Å
17M84.5Confident70.7Confident26 Ų2680 Ų8013%0.12842%0.422CS..Hα-helixtrans-84.8-58.2179-67-58.6100.200110.6W14 K34 K58 L60W14-M17 CarbonylContact O-C 3.58Å; W14-M17 PolarHBondContact O-N 2.85Å; M17-K34 WeakPolarHBondContact O-CD 3.35Å; M17-K34 WeakPolarHBondContact O-CE 3.39Å; M17-K34 PolarHBondContact O-NZ 3.39Å; M17-K58 HydrophobicContact CE-CB 4.33Å; M17-K58 HydrophobicContact CE-CD 3.73Å; M17-K58 HydrophobicContact SD-CB 4.14Å; M17-K58 HydrophobicContact SD-CD 4Å; M17-L60 HydrophobicContact CB-CD1 4.2Å; M17-L60 HydrophobicContact CG-CD1 4.24Å
18F89.7Confident73.6Confident2 Ų273.5 Ų73.51%0.00938%0.383CS..SBendtrans-118.5146.8-169.1-67.3-56.2000111.7W14 S15 F31 K34 L35 V38 L60 T165W14-F18 HydrophobicContact CD2-CB 4.15Å; W14-F18 HydrophobicContact CD2-CD2 4.25Å; W14-F18 VanDerWaalsContact CE2-CB 3.48Å; W14-F18 HydrophobicContact CE3-CD2 4.13Å; W14-F18 HydrophobicContact CH2-CB 4.35Å; W14-F18 AromaticContact CH2-CD2 3.66Å; W14-F18 HydrophobicContact CH2-CD2 3.66Å; W14-F18 HydrophobicContact CH2-CE2 4.3Å; W14-F18 HydrophobicContact CH2-CG 4.22Å; W14-F18 HydrophobicContact CZ2-CB 3.6Å; W14-F18 AromaticContact CZ2-CD2 3.81Å; W14-F18 HydrophobicContact CZ2-CD2 3.81Å; W14-F18 AromaticContact CZ2-CG 3.93Å; W14-F18 HydrophobicContact CZ2-CG 3.93Å; W14-F18 AromaticContact CZ3-CD2 3.84Å; W14-F18 HydrophobicContact CZ3-CD2 3.84Å; W14-F18 HydrophobicContact CZ3-CE2 4.4Å; W14-F18 PolarHBondContact O-N 3.2Å; W14-F18 VanDerWaalsContact O-O 3.13Å; S15-F18 WeakPolarHBondContact CA-O 3.19Å; F18-F31 HydrophobicContact CB-CD2 3.92Å; F18-F31 HydrophobicContact CB-CE2 4.28Å; F18-F31 AromaticContact CD1-CD2 3.46Å; F18-F31 HydrophobicContact CD1-CD2 3.46Å; F18-F31 VanDerWaalsContact CD1-CD2 3.46Å; F18-F31 AromaticContact CD1-CE2 3.78Å; F18-F31 HydrophobicContact CD1-CE2 3.78Å; F18-F31 HydrophobicContact CD1-CG 4.48Å; F18-F31 HydrophobicContact CD2-CE2 4.3Å; F18-F31 HydrophobicContact CE1-CD2 4.13Å; F18-F31 HydrophobicContact CE1-CE2 4.17Å; F18-F31 AromaticContact CG-CD2 3.77Å; F18-F31 HydrophobicContact CG-CD2 3.77Å; F18-F31 AromaticContact CG-CE2 3.87Å; F18-F31 HydrophobicContact CG-CE2 3.87Å; F18-K34 HydrophobicContact CD1-CB 4.06Å; F18-K34 HydrophobicContact CE1-CB 3.83Å; F18-L35 HydrophobicContact CE1-CB 3.94Å; F18-L35 HydrophobicContact CZ-CB 4.22Å; F18-L35 HydrophobicContact CZ-CD1 4.05Å; F18-V38 HydrophobicContact CZ-CG2 4.36Å; F18-L60 HydrophobicContact CD2-CD1 4.36Å; F18-L60 HydrophobicContact CD2-CD2 4.16Å; F18-L60 HydrophobicContact CE2-CD2 3.66Å; F18-T165 HydrophobicContact CE2-CG2 3.84Å; F18-T165 HydrophobicContact CZ-CG2 4.26Å
19P85.9Confident76.7Confident23 Ų2365.3 Ų65.315%0.14935%0.348CS..  trans-61.8155170.524.9-29.2000110.8W14 L22 Q27 V30 F31W14-P19 PolarHBondContact NE1-O 2.78Å; P19-L22 HydrophobicContact CG-CD2 3.9Å; P19-Q27 HydrophobicContact CB-CB 4.12Å; P19-Q27 HydrophobicContact CB-CG 4.44Å; P19-Q27 HydrophobicContact CG-CB 4.25Å; P19-Q27 VanDerWaalsContact CG-O 3.27Å; P19-Q27 WeakPolarHBondContact CG-O 3.49Å; P19-V30 HydrophobicContact CG-CG1 4.44Å; P19-F31 HydrophobicContact CG-CB 3.88Å
20N82.5Confident79.7Confident72 Ų7259.5 Ų59.539%0.38532%0.324SS..SBendtrans-80.6-49.4177.2-79.2-43.5000111.2L22 R162N20-L22 PolarHBondContact O-N 3.14Å; N20-R162 PolarHBondContact O-NH2 2.79Å; N20-R162 PolarHBondContact OD1-NH1 3.07Å; N20-R162 PolarHBondContact OD1-NH2 3Å
21E83.7Confident82.6Confident115 Ų11552 Ų5254%0.53728%0.284SS..  trans-89.669.1-162.6-52.5165.6160.100111.3G23 V24 Q27 E158E21-G23 PolarHBondContact O-N 3.05Å; E21-V24 PolarHBondContact O-N 3.26Å; E21-Q27 WeakPolarHBondContact O-CB 3.44Å; E21-Q27 PolarHBondContact OE2-NE2 2.81Å; E21-E158 WeakPolarHBondContact CA-OE1 3.4Å
22L84.1Confident85.4Confident0 Ų044.5 Ų44.50%025%0.246CC..THydrogen-bonded Turntrans-70.32.2-174.3-57.7177.3000114.3W14 P19 N20 F31 F156 E158 A161 T232W14-L22 HydrophobicContact CZ2-CD1 4.42Å; P19-L22 HydrophobicContact CG-CD2 3.9Å; N20-L22 PolarHBondContact O-N 3.14Å; L22-F31 HydrophobicContact CD1-CD2 4.15Å; L22-F31 HydrophobicContact CD1-CE1 4.5Å; L22-F31 HydrophobicContact CD1-CE2 4.15Å; L22-F31 HydrophobicContact CD1-CG 4.33Å; L22-F31 HydrophobicContact CD1-CZ 4.31Å; L22-F31 HydrophobicContact CD2-CB 3.43Å; L22-F31 VanDerWaalsContact CD2-CB 3.43Å; L22-F31 HydrophobicContact CD2-CD1 4.14Å; L22-F31 HydrophobicContact CD2-CD2 3.73Å; L22-F31 HydrophobicContact CD2-CG 3.49Å; L22-F31 VanDerWaalsContact CD2-CG 3.49Å; L22-F156 HydrophobicContact CB-CE1 4.42Å; L22-F156 HydrophobicContact CB-CE2 4.34Å; L22-F156 HydrophobicContact CB-CZ 3.67Å; L22-E158 HydrophobicContact CB-CG 4.31Å; L22-E158 PolarHBondContact N-OE1 3.13Å; L22-A161 HydrophobicContact CD1-CB 3.87Å; L22-T232 HydrophobicContact CB-CG2 4.22Å; L22-T232 HydrophobicContact CD1-CG2 4.23Å
23G81.8Confident87.4Confident38 Ų3845.1 Ų45.139%0.39224%0.242SC..THydrogen-bonded Turntrans-76.9-14.7169.500000114.7E21 H234E21-G23 PolarHBondContact O-N 3.05Å; G23-H234 PolarHBondContact O-CD2 3.47Å; G23-H234 PolarHBondContact O-NE2 3.42Å
24V86.2Confident88.3Confident70 Ų7047 Ų4742%0.42425%0.248SC..SBendtrans-94.5133.5176.8-177.70000110.1E21 I26 Q27 S28E21-V24 PolarHBondContact O-N 3.26Å; V24-I26 PolarHBondContact O-N 3.13Å; V24-Q27 HydrophobicContact CB-CB 4.26Å; V24-Q27 HydrophobicContact CB-CG 4.24Å; V24-Q27 PolarHBondContact O-N 3.16Å; V24-Q27 VanDerWaalsContact O-N 3.15Å; V24-S28 WeakPolarHBondContact O-CB 3.33Å; V24-S28 PolarHBondContact O-N 3.42Å
25E88.1Confident88.9Confident94 Ų9446.7 Ų46.744%0.43925%0.247SC..Hα-helixtrans-53.3-49.6-176.4-174.5-173.1-152.100112.5Q27 S28 L29 H94 H234E25-Q27 PolarHBondContact O-N 3.04Å; E25-S28 WeakPolarHBondContact O-CB 3.4Å; E25-S28 PolarHBondContact O-N 3.42Å; E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 3.09Å; E25-H94 IonicContact OE1-CE1 2.8Å; E25-H94 PolarHBondContact OE1-CE1 3.4Å; E25-H234 WeakPolarHBondContact CA-CD2 3.28Å; E25-H234 HydrophobicContact CB-CB 4.32Å; E25-H234 HydrophobicContact CG-CB 4.12Å; E25-H234 PolarHBondContact N-CD2 3.11Å; E25-H234 VanDerWaalsContact N-CD2 3.29Å; E25-H234 PolarHBondContact N-NE2 3.21Å
26I90.3Very high89.6Confident69 Ų6943.2 Ų43.235%0.35422%0.223SC..Hα-helixtrans-62.7-41.2-179.3-57.8176.4000111.4V24 L29 V30V24-I26 PolarHBondContact O-N 3.13Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-V30 WeakPolarHBondContact O-CG2 3.28Å; I26-V30 PolarHBondContact O-N 3.41Å
27Q91.1Very high90.3Very high51 Ų5137.1 Ų37.124%0.23820%0.2CC..Hα-helixtrans-70.7-38.5177.8-66-163.748.800111.7P19 E21 V24 E25 V30 F31P19-Q27 HydrophobicContact CB-CB 4.12Å; P19-Q27 HydrophobicContact CB-CG 4.44Å; P19-Q27 HydrophobicContact CG-CB 4.25Å; P19-Q27 VanDerWaalsContact CG-O 3.27Å; P19-Q27 WeakPolarHBondContact CG-O 3.49Å; E21-Q27 WeakPolarHBondContact O-CB 3.44Å; E21-Q27 PolarHBondContact OE2-NE2 2.81Å; V24-Q27 HydrophobicContact CB-CB 4.26Å; V24-Q27 HydrophobicContact CB-CG 4.24Å; V24-Q27 PolarHBondContact O-N 3.16Å; V24-Q27 VanDerWaalsContact O-N 3.15Å; E25-Q27 PolarHBondContact O-N 3.04Å; Q27-V30 PolarHBondContact O-N 2.96Å; Q27-F31 VanDerWaalsContact O-CB 3.26Å; Q27-F31 WeakPolarHBondContact O-CB 3.34Å; Q27-F31 PolarHBondContact O-N 2.78Å
28S91.8Very high90.8Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-60.5-43171.5163.50000111.9V24 E25 F31 I32 T232 H235V24-S28 WeakPolarHBondContact O-CB 3.33Å; V24-S28 PolarHBondContact O-N 3.42Å; E25-S28 WeakPolarHBondContact O-CB 3.4Å; E25-S28 PolarHBondContact O-N 3.42Å; S28-F31 WeakPolarHBondContact O-CB 3.36Å; S28-F31 PolarHBondContact O-N 2.75Å; S28-I32 WeakPolarHBondContact O-CG1 3.37Å; S28-I32 PolarHBondContact O-N 3.49Å; S28-T232 PolarHBondContact OG-OG1 2.79Å; S28-H235 PolarHBondContact OG-ND1 3.27Å
29L92.4Very high91.2Very high22 Ų2236.4 Ų36.412%0.11520%0.197CC..Hα-helixtrans-64.8-46.7176.6-172.567.8000111.8E25 I26 F31 I32 K33 I91E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 3.09Å; I26-L29 PolarHBondContact O-N 3.29Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.4Å; L29-I32 PolarHBondContact O-N 3.41Å; L29-K33 PolarHBondContact O-N 2.84Å; L29-I91 HydrophobicContact CD1-CG2 3.61Å
30V93.4Very high91.7Very high53 Ų5335.3 Ų35.332%0.32119%0.19SC..Hα-helixtrans-58.8-42.9173.5167.50000111.2P19 I26 Q27 K33 K34P19-V30 HydrophobicContact CG-CG1 4.44Å; I26-V30 WeakPolarHBondContact O-CG2 3.28Å; I26-V30 PolarHBondContact O-N 3.41Å; Q27-V30 PolarHBondContact O-N 2.96Å; V30-K33 PolarHBondContact O-N 2.86Å; V30-K34 HydrophobicContact CG1-CD 4.43Å; V30-K34 WeakPolarHBondContact O-CB 3.21Å; V30-K34 WeakPolarHBondContact O-CG 3.25Å; V30-K34 PolarHBondContact O-N 2.93Å
31F94.6Very high92.3Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-59.6-47.2175.5167.8-97.5000112.4W14 F18 P19 L22 Q27 S28 L29 K34 L35 T165 V230 T232W14-F31 AromaticContact CH2-CE2 3.88Å; W14-F31 HydrophobicContact CH2-CE2 3.88Å; W14-F31 HydrophobicContact CZ2-CD2 4.3Å; W14-F31 AromaticContact CZ2-CE2 3.7Å; W14-F31 HydrophobicContact CZ2-CE2 3.7Å; F18-F31 HydrophobicContact CB-CD2 3.92Å; F18-F31 HydrophobicContact CB-CE2 4.28Å; F18-F31 AromaticContact CD1-CD2 3.46Å; F18-F31 HydrophobicContact CD1-CD2 3.46Å; F18-F31 VanDerWaalsContact CD1-CD2 3.46Å; F18-F31 AromaticContact CD1-CE2 3.78Å; F18-F31 HydrophobicContact CD1-CE2 3.78Å; F18-F31 HydrophobicContact CD1-CG 4.48Å; F18-F31 HydrophobicContact CD2-CE2 4.3Å; F18-F31 HydrophobicContact CE1-CD2 4.13Å; F18-F31 HydrophobicContact CE1-CE2 4.17Å; F18-F31 AromaticContact CG-CD2 3.77Å; F18-F31 HydrophobicContact CG-CD2 3.77Å; F18-F31 AromaticContact CG-CE2 3.87Å; F18-F31 HydrophobicContact CG-CE2 3.87Å; P19-F31 HydrophobicContact CG-CB 3.88Å; L22-F31 HydrophobicContact CD1-CD2 4.15Å; L22-F31 HydrophobicContact CD1-CE1 4.5Å; L22-F31 HydrophobicContact CD1-CE2 4.15Å; L22-F31 HydrophobicContact CD1-CG 4.33Å; L22-F31 HydrophobicContact CD1-CZ 4.31Å; L22-F31 HydrophobicContact CD2-CB 3.43Å; L22-F31 VanDerWaalsContact CD2-CB 3.43Å; L22-F31 HydrophobicContact CD2-CD1 4.14Å; L22-F31 HydrophobicContact CD2-CD2 3.73Å; L22-F31 HydrophobicContact CD2-CG 3.49Å; L22-F31 VanDerWaalsContact CD2-CG 3.49Å; Q27-F31 VanDerWaalsContact O-CB 3.26Å; Q27-F31 WeakPolarHBondContact O-CB 3.34Å; Q27-F31 PolarHBondContact O-N 2.78Å; S28-F31 WeakPolarHBondContact O-CB 3.36Å; S28-F31 PolarHBondContact O-N 2.75Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.4Å; F31-K34 PolarHBondContact O-N 3.13Å; F31-L35 HydrophobicContact CE1-CD2 3.96Å; F31-L35 HydrophobicContact CZ-CD2 3.84Å; F31-L35 VanDerWaalsContact O-CB 3.27Å; F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.05Å; F31-T165 WeakPolarHBondContact CZ-OG1 3.33Å; F31-V230 HydrophobicContact CE1-CG1 3.79Å; F31-V230 HydrophobicContact CZ-CG1 3.87Å; F31-T232 HydrophobicContact CD1-CG2 3.51Å; F31-T232 HydrophobicContact CE1-CG2 3.56Å
32I94.8Very high92.9Very high3 Ų326.7 Ų26.72%0.01515%0.148CC..Hα-helixtrans-63.2-45178.3-67.3-66.5000111.7S28 L29 K34 L35 F36 L128 H235 I237S28-I32 WeakPolarHBondContact O-CG1 3.37Å; S28-I32 PolarHBondContact O-N 3.49Å; L29-I32 PolarHBondContact O-N 3.41Å; I32-K34 PolarHBondContact O-N 3.25Å; I32-L35 PolarHBondContact O-N 2.87Å; I32-F36 WeakPolarHBondContact O-CB 3.33Å; I32-F36 PolarHBondContact O-N 2.62Å; I32-L128 HydrophobicContact CG2-CD2 3.97Å; I32-H235 HydrophobicContact CD1-CB 4.12Å; I32-H235 HydrophobicContact CG1-CB 3.56Å; I32-I237 HydrophobicContact CD1-CB 4.04Å; I32-I237 HydrophobicContact CD1-CG2 3.66Å
33K96Very high93.4Very high35 Ų3527 Ų2715%0.15215%0.149CC..Hα-helixtrans-58.9-46.6176.4-72.2-166-63.7-176.80111.7L29 V30 A37 F88 I91 D92L29-K33 PolarHBondContact O-N 2.84Å; V30-K33 PolarHBondContact O-N 2.86Å; K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3.03Å; K33-F88 HydrophobicContact CB-CD1 3.91Å; K33-F88 HydrophobicContact CB-CE1 4.1Å; K33-F88 HydrophobicContact CD-CB 3.84Å; K33-F88 HydrophobicContact CD-CD1 3.97Å; K33-F88 HydrophobicContact CD-CG 4.06Å; K33-F88 HydrophobicContact CG-CD1 3.97Å; K33-F88 WeakPolarHBondContact O-CE1 3.34Å; K33-I91 HydrophobicContact CD-CB 4.38Å; K33-I91 HydrophobicContact CD-CG2 4.1Å; K33-I91 HydrophobicContact CG-CB 4.13Å; K33-I91 HydrophobicContact CG-CD1 4.19Å; K33-I91 HydrophobicContact CG-CG2 3.58Å; K33-D92 VanDerWaalsContact CD-OD1 3.3Å; K33-D92 WeakPolarHBondContact CD-OD1 3.11Å; K33-D92 WeakPolarHBondContact CE-OD1 3.33Å; K33-D92 IonicContact NZ-OD1 3.44Å; K33-D92 PolarHBondContact NZ-OD1 3.47Å; K33-D92 IonicContact NZ-OD2 2.69Å; K33-D92 PolarHBondContact NZ-OD2 3.43Å
34K95.1Very high94Very high88 Ų8825.2 Ų25.238%0.38313%0.131SC..Hα-helixtrans-63.9-42.4175.9-71.9-168177.9-174.10112.2M17 F18 V30 F31 I32 A37 V38M17-K34 WeakPolarHBondContact O-CD 3.35Å; M17-K34 WeakPolarHBondContact O-CE 3.39Å; M17-K34 PolarHBondContact O-NZ 3.39Å; F18-K34 HydrophobicContact CD1-CB 4.06Å; F18-K34 HydrophobicContact CE1-CB 3.83Å; V30-K34 HydrophobicContact CG1-CD 4.43Å; V30-K34 WeakPolarHBondContact O-CB 3.21Å; V30-K34 WeakPolarHBondContact O-CG 3.25Å; V30-K34 PolarHBondContact O-N 2.93Å; F31-K34 PolarHBondContact O-N 3.13Å; I32-K34 PolarHBondContact O-N 3.25Å; K34-A37 PolarHBondContact O-N 3.45Å; K34-V38 VanDerWaalsContact O-CG2 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.32Å; K34-V38 PolarHBondContact O-N 3.2Å
35L96.4Very high94.4Very high0 Ų024.9 Ų24.90%012%0.122CC..Hα-helixtrans-66.5-40-178.6177.656000111.5F18 F31 I32 A39 T165 L168 V230 I237F18-L35 HydrophobicContact CE1-CB 3.94Å; F18-L35 HydrophobicContact CZ-CB 4.22Å; F18-L35 HydrophobicContact CZ-CD1 4.05Å; F31-L35 HydrophobicContact CE1-CD2 3.96Å; F31-L35 HydrophobicContact CZ-CD2 3.84Å; F31-L35 VanDerWaalsContact O-CB 3.27Å; F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.05Å; I32-L35 PolarHBondContact O-N 2.87Å; L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.92Å; L35-T165 HydrophobicContact CD1-CG2 3.83Å; L35-L168 HydrophobicContact CD1-CD2 4.45Å; L35-V230 HydrophobicContact CD2-CB 3.93Å; L35-V230 HydrophobicContact CD2-CG1 4.06Å; L35-V230 HydrophobicContact CD2-CG2 3.82Å; L35-I237 HydrophobicContact CD2-CG2 3.74Å; L35-I237 HydrophobicContact CG-CG2 4.39Å
36F97.2Very high94.7Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-59-48.5171176.4-113.6000111.4I32 V38 A39 V40 L84 C87 F88 I91 A99 F126 I237I32-F36 WeakPolarHBondContact O-CB 3.33Å; I32-F36 PolarHBondContact O-N 2.62Å; F36-V38 PolarHBondContact O-N 3.34Å; F36-A39 PolarHBondContact O-N 3.5Å; F36-V40 HydrophobicContact CD2-CG2 4.13Å; F36-V40 HydrophobicContact CE2-CG2 3.82Å; F36-V40 HydrophobicContact CZ-CG2 4.04Å; F36-V40 WeakPolarHBondContact O-CB 3.43Å; F36-V40 WeakPolarHBondContact O-CG2 3.38Å; F36-V40 PolarHBondContact O-N 3.3Å; F36-L84 HydrophobicContact CD1-CD2 3.97Å; F36-L84 HydrophobicContact CE1-CD2 3.44Å; F36-L84 VanDerWaalsContact CE1-CD2 3.44Å; F36-L84 HydrophobicContact CZ-CD2 4.1Å; F36-C87 HydrophobicContact CD1-CB 4.4Å; F36-C87 HydrophobicContact CE1-CB 3.54Å; F36-C87 HydrophobicContact CZ-CB 4.18Å; F36-F88 HydrophobicContact CD1-CE1 4.26Å; F36-I91 HydrophobicContact CD1-CD1 4.36Å; F36-A99 HydrophobicContact CE2-CB 3.95Å; F36-A99 HydrophobicContact CZ-CB 3.79Å; F36-F126 HydrophobicContact CD2-CB 3.99Å; F36-F126 AromaticContact CD2-CD1 3.79Å; F36-F126 HydrophobicContact CD2-CD1 3.79Å; F36-F126 HydrophobicContact CD2-CD2 4.19Å; F36-F126 HydrophobicContact CD2-CE1 4.27Å; F36-F126 AromaticContact CD2-CG 3.73Å; F36-F126 HydrophobicContact CD2-CG 3.73Å; F36-F126 HydrophobicContact CE2-CB 3.85Å; F36-F126 HydrophobicContact CE2-CD1 4.14Å; F36-F126 AromaticContact CE2-CD2 3.67Å; F36-F126 HydrophobicContact CE2-CD2 3.67Å; F36-F126 HydrophobicContact CE2-CE2 4.22Å; F36-F126 AromaticContact CE2-CG 3.62Å; F36-F126 HydrophobicContact CE2-CG 3.62Å; F36-I237 HydrophobicContact CB-CD1 3.95Å; F36-I237 HydrophobicContact CD2-CD1 4.21Å
37A96.5Very high94.8Very high19 Ų1919.7 Ų19.716%0.15710%0.096CC..Hα-helixtrans-62.2-43.6178.800000113.5K33 K34 S41 F88K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3.03Å; K34-A37 PolarHBondContact O-N 3.45Å; A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 2.9Å; A37-S41 PolarHBondContact O-OG 3.22Å; A37-F88 HydrophobicContact CB-CE1 4.23Å; A37-F88 HydrophobicContact CB-CZ 3.87Å
38V95.8Very high94.9Very high11 Ų1120.9 Ų20.97%0.06710%0.104CC..Hα-helixtrans-62.1-51.1175.11730000109.9F18 K34 F36 V40 S41 Y42 L65 I67 L169F18-V38 HydrophobicContact CZ-CG2 4.36Å; K34-V38 VanDerWaalsContact O-CG2 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.32Å; K34-V38 PolarHBondContact O-N 3.2Å; F36-V38 PolarHBondContact O-N 3.34Å; V38-V40 PolarHBondContact O-N 2.85Å; V38-S41 WeakPolarHBondContact O-CB 3.32Å; V38-S41 PolarHBondContact O-N 2.87Å; V38-Y42 WeakPolarHBondContact O-CB 3.48Å; V38-Y42 PolarHBondContact O-N 3.29Å; V38-L65 HydrophobicContact CG1-CD1 4.05Å; V38-L65 HydrophobicContact CG1-CD2 4.47Å; V38-I67 HydrophobicContact CB-CD1 4.26Å; V38-I67 HydrophobicContact CG1-CD1 4.06Å; V38-I67 HydrophobicContact CG2-CD1 3.86Å; V38-L169 HydrophobicContact CG1-CD2 3.76Å
39A96.7Very high94.9Very high1 Ų121.2 Ų21.21%0.00811%0.105CC..Hα-helixtrans-65.1-37.6-176.800000113.1L35 F36 Y42 V43 F126 I172 M239L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.92Å; F36-A39 PolarHBondContact O-N 3.5Å; A39-Y42 PolarHBondContact O-N 3.16Å; A39-V43 WeakPolarHBondContact O-CG2 3.42Å; A39-V43 PolarHBondContact O-N 3.04Å; A39-F126 HydrophobicContact CB-CE1 3.71Å; A39-F126 HydrophobicContact CB-CZ 4.28Å; A39-I172 HydrophobicContact CB-CD1 3.73Å; A39-M239 HydrophobicContact CB-SD 4.33Å
40V96.9Very high94.9Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-62.8-46.6171.2167.40000111F36 V38 Y42 V43 L44 I80 L84 I101 F126F36-V40 HydrophobicContact CD2-CG2 4.13Å; F36-V40 HydrophobicContact CE2-CG2 3.82Å; F36-V40 HydrophobicContact CZ-CG2 4.04Å; F36-V40 WeakPolarHBondContact O-CB 3.43Å; F36-V40 WeakPolarHBondContact O-CG2 3.38Å; F36-V40 PolarHBondContact O-N 3.3Å; V38-V40 PolarHBondContact O-N 2.85Å; V40-Y42 VanDerWaalsContact C-N 3.31Å; V40-Y42 PolarHBondContact O-N 2.91Å; V40-V43 PolarHBondContact O-N 2.99Å; V40-L44 HydrophobicContact CG1-CD1 3.77Å; V40-L44 WeakPolarHBondContact O-CD1 3.42Å; V40-L44 VanDerWaalsContact O-CG 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.39Å; V40-L44 PolarHBondContact O-N 3.45Å; V40-L44 VanDerWaalsContact O-N 3.1Å; V40-I80 HydrophobicContact CG1-CG2 4.37Å; V40-L84 HydrophobicContact CB-CD2 4.21Å; V40-L84 HydrophobicContact CG1-CD1 4.45Å; V40-L84 HydrophobicContact CG1-CD2 4.1Å; V40-L84 HydrophobicContact CG2-CD2 4.18Å; V40-I101 HydrophobicContact CB-CD1 4.3Å; V40-I101 HydrophobicContact CG1-CD1 3.63Å; V40-I101 HydrophobicContact CG2-CD1 3.86Å; V40-F126 HydrophobicContact CG2-CD2 4.45Å; V40-F126 HydrophobicContact CG2-CE1 4.39Å; V40-F126 HydrophobicContact CG2-CE2 3.66Å; V40-F126 HydrophobicContact CG2-CZ 3.62Å
41S96.3Very high94.8Very high3 Ų321 Ų212%0.02111%0.105CC..Hα-helixtrans-58.5-44176.8-57.10000111.9A37 V38 V43 L44 Y45 F55 K66 L68A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 2.9Å; A37-S41 PolarHBondContact O-OG 3.22Å; V38-S41 WeakPolarHBondContact O-CB 3.32Å; V38-S41 PolarHBondContact O-N 2.87Å; S41-V43 PolarHBondContact O-N 2.88Å; S41-L44 PolarHBondContact O-N 3.26Å; S41-Y45 PolarHBondContact O-N 3Å; S41-F55 WeakPolarHBondContact O-CE1 3.3Å; S41-K66 VanDerWaalsContact CB-O 3.26Å; S41-K66 WeakPolarHBondContact CB-O 3.38Å; S41-L68 PolarHBondContact OG-N 3.37Å
42Y94.9Very high94.7Very high4 Ų427 Ų272%0.01613%0.133CC..Hα-helixtrans-68.5-34.7-177-138.6-147.2000112.3V38 A39 V40 F46 I63 E64 L65 L169 I172V38-Y42 WeakPolarHBondContact O-CB 3.48Å; V38-Y42 PolarHBondContact O-N 3.29Å; A39-Y42 PolarHBondContact O-N 3.16Å; V40-Y42 VanDerWaalsContact C-N 3.31Å; V40-Y42 PolarHBondContact O-N 2.91Å; Y42-F46 HydrophobicContact CD1-CD2 4.27Å; Y42-F46 AromaticContact CD1-CE2 3.84Å; Y42-F46 HydrophobicContact CD1-CE2 3.84Å; Y42-F46 HydrophobicContact CD2-CD2 4.24Å; Y42-F46 AromaticContact CD2-CE2 3.78Å; Y42-F46 HydrophobicContact CD2-CE2 3.78Å; Y42-F46 HydrophobicContact CE1-CD2 4.48Å; Y42-F46 AromaticContact CE1-CE2 3.63Å; Y42-F46 HydrophobicContact CE1-CE2 3.63Å; Y42-F46 HydrophobicContact CE1-CZ 4.49Å; Y42-F46 HydrophobicContact CE2-CD2 4.42Å; Y42-F46 AromaticContact CE2-CE2 3.53Å; Y42-F46 HydrophobicContact CE2-CE2 3.53Å; Y42-F46 HydrophobicContact CE2-CZ 4.12Å; Y42-F46 HydrophobicContact CG-CD2 4.14Å; Y42-F46 AromaticContact CG-CE2 3.91Å; Y42-F46 HydrophobicContact CG-CE2 3.91Å; Y42-F46 AromaticContact CZ-CE2 3.46Å; Y42-F46 VanDerWaalsContact CZ-CE2 3.46Å; Y42-F46 VanDerWaalsContact O-CD2 3.28Å; Y42-F46 WeakPolarHBondContact O-CD2 3.49Å; Y42-F46 PolarHBondContact O-N 3.46Å; Y42-I63 HydrophobicContact CE1-CG2 4.48Å; Y42-I63 WeakPolarHBondContact OH-CG2 3.45Å; Y42-E64 VanDerWaalsContact CE2-O 3.25Å; Y42-E64 WeakPolarHBondContact CE2-O 3.23Å; Y42-E64 PolarHBondContact OH-O 3.42Å; Y42-L65 HydrophobicContact CD1-CD2 4.45Å; Y42-L65 HydrophobicContact CD2-CD2 4.35Å; Y42-L65 HydrophobicContact CE1-CD2 3.93Å; Y42-L65 HydrophobicContact CE2-CD2 3.84Å; Y42-L169 HydrophobicContact CD1-CB 4.41Å; Y42-L169 HydrophobicContact CD1-CD2 4.03Å; Y42-L169 HydrophobicContact CE1-CB 4.14Å; Y42-L169 HydrophobicContact CE1-CD2 4.46Å; Y42-I172 HydrophobicContact CD1-CB 4.36Å; Y42-I172 HydrophobicContact CD1-CG2 4.19Å
43V94.9Very high94.5Very high6 Ų630.6 Ų30.64%0.03616%0.159CC..Hα-helixtrans-61.7-49.8168.81650000111.3A39 V40 S41 Y45 F46 R47 Y124 I172 M239A39-V43 WeakPolarHBondContact O-CG2 3.42Å; A39-V43 PolarHBondContact O-N 3.04Å; V40-V43 PolarHBondContact O-N 2.99Å; S41-V43 PolarHBondContact O-N 2.88Å; V43-Y45 PolarHBondContact O-N 3.05Å; V43-F46 PolarHBondContact O-N 3.26Å; V43-R47 HydrophobicContact CG1-CG 4.36Å; V43-R47 WeakPolarHBondContact O-CB 3.5Å; V43-R47 WeakPolarHBondContact O-CG 3.43Å; V43-R47 PolarHBondContact O-N 3.37Å; V43-Y124 HydrophobicContact CB-CD1 4.33Å; V43-Y124 HydrophobicContact CB-CE1 4.43Å; V43-Y124 HydrophobicContact CG1-CD1 3.69Å; V43-Y124 HydrophobicContact CG1-CD2 3.65Å; V43-Y124 HydrophobicContact CG1-CE1 3.69Å; V43-Y124 HydrophobicContact CG1-CE2 3.66Å; V43-Y124 HydrophobicContact CG1-CG 3.69Å; V43-Y124 HydrophobicContact CG2-CD1 3.59Å; V43-Y124 HydrophobicContact CG2-CE1 3.82Å; V43-Y124 HydrophobicContact CG2-CG 4.22Å; V43-I172 HydrophobicContact CG2-CG2 3.84Å; V43-M239 HydrophobicContact CG2-CE 3.42Å; V43-M239 VanDerWaalsContact CG2-CE 3.42Å
44L95.2Very high94.4Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-63.1-32.4-177.1-65.8163.1000111.9V40 S41 D48 I49 F50 F55 L68 I80 I188V40-L44 HydrophobicContact CG1-CD1 3.77Å; V40-L44 WeakPolarHBondContact O-CD1 3.42Å; V40-L44 VanDerWaalsContact O-CG 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.39Å; V40-L44 PolarHBondContact O-N 3.45Å; V40-L44 VanDerWaalsContact O-N 3.1Å; S41-L44 PolarHBondContact O-N 3.26Å; L44-D48 PolarHBondContact O-N 3.38Å; L44-I49 HydrophobicContact CB-CB 4.42Å; L44-I49 HydrophobicContact CD2-CB 3.99Å; L44-I49 HydrophobicContact CD2-CG1 4.07Å; L44-I49 HydrophobicContact CD2-CG2 3.83Å; L44-I49 WeakPolarHBondContact O-CB 3.43Å; L44-I49 PolarHBondContact O-N 2.66Å; L44-F50 HydrophobicContact CB-CD2 4.37Å; L44-F50 HydrophobicContact CD1-CE2 4.3Å; L44-F50 HydrophobicContact CD2-CE2 4.19Å; L44-F55 HydrophobicContact CB-CE1 4.38Å; L44-F55 HydrophobicContact CB-CZ 4.22Å; L44-L68 HydrophobicContact CD1-CD2 3.9Å; L44-I80 HydrophobicContact CD1-CG2 3.87Å; L44-I188 HydrophobicContact CD2-CD1 3.66Å
45Y95Very high94.3Very high62 Ų6225 Ų2524%0.24314%0.135CC..Hα-helixtrans-69.8-58.2172.1179.1-103.2000112.4S41 V43 R47 D48 E52 F55 K66S41-Y45 PolarHBondContact O-N 3Å; V43-Y45 PolarHBondContact O-N 3.05Å; Y45-R47 PolarHBondContact O-N 3.12Å; Y45-D48 WeakPolarHBondContact O-CA 3.42Å; Y45-D48 PolarHBondContact O-N 3.03Å; Y45-E52 HydrophobicContact CE2-CG 4.27Å; Y45-F55 HydrophobicContact CD2-CD2 4.12Å; Y45-F55 HydrophobicContact CD2-CE2 4.07Å; Y45-F55 HydrophobicContact CD2-CZ 4.42Å; Y45-K66 HydrophobicContact CD1-CB 4.11Å; Y45-K66 HydrophobicContact CD1-CG 3.88Å; Y45-K66 HydrophobicContact CD2-CB 3.74Å; Y45-K66 HydrophobicContact CD2-CD 3.92Å; Y45-K66 HydrophobicContact CD2-CG 3.59Å; Y45-K66 HydrophobicContact CE1-CG 3.86Å; Y45-K66 HydrophobicContact CE2-CB 4.25Å; Y45-K66 HydrophobicContact CE2-CD 3.58Å; Y45-K66 HydrophobicContact CE2-CG 3.56Å; Y45-K66 HydrophobicContact CG-CB 3.66Å; Y45-K66 HydrophobicContact CG-CG 3.75Å; Y45-K66 WeakPolarHBondContact OH-CE 3.19Å
46F93.3Very high94Very high44 Ų4426.9 Ų26.919%0.19314%0.143CC..Hα-helixtrans-72-13.2-175.5-75.3-64000115.1Y42 V43 Q173Y42-F46 HydrophobicContact CD1-CD2 4.27Å; Y42-F46 AromaticContact CD1-CE2 3.84Å; Y42-F46 HydrophobicContact CD1-CE2 3.84Å; Y42-F46 HydrophobicContact CD2-CD2 4.24Å; Y42-F46 AromaticContact CD2-CE2 3.78Å; Y42-F46 HydrophobicContact CD2-CE2 3.78Å; Y42-F46 HydrophobicContact CE1-CD2 4.48Å; Y42-F46 AromaticContact CE1-CE2 3.63Å; Y42-F46 HydrophobicContact CE1-CE2 3.63Å; Y42-F46 HydrophobicContact CE1-CZ 4.49Å; Y42-F46 HydrophobicContact CE2-CD2 4.42Å; Y42-F46 AromaticContact CE2-CE2 3.53Å; Y42-F46 HydrophobicContact CE2-CE2 3.53Å; Y42-F46 HydrophobicContact CE2-CZ 4.12Å; Y42-F46 HydrophobicContact CG-CD2 4.14Å; Y42-F46 AromaticContact CG-CE2 3.91Å; Y42-F46 HydrophobicContact CG-CE2 3.91Å; Y42-F46 AromaticContact CZ-CE2 3.46Å; Y42-F46 VanDerWaalsContact CZ-CE2 3.46Å; Y42-F46 VanDerWaalsContact O-CD2 3.28Å; Y42-F46 WeakPolarHBondContact O-CD2 3.49Å; Y42-F46 PolarHBondContact O-N 3.46Å; V43-F46 PolarHBondContact O-N 3.26Å; F46-Q173 HydrophobicContact CD2-CB 4.2Å; F46-Q173 HydrophobicContact CE1-CB 4.34Å; F46-Q173 HydrophobicContact CE1-CG 3.85Å; F46-Q173 HydrophobicContact CE2-CB 3.56Å; F46-Q173 HydrophobicContact CE2-CG 3.97Å; F46-Q173 HydrophobicContact CZ-CB 3.66Å; F46-Q173 HydrophobicContact CZ-CG 3.5Å; F46-Q173 VanDerWaalsContact CZ-CG 3.5Å
47R92.8Very high93.7Very high10 Ų1031.1 Ų31.14%0.03817%0.166CC..THydrogen-bonded Turntrans-95.12.3167.5-56.2-53.6-73.4140.4-7.2113.2V43 Y45 I49 E122 Y124 L179 S180 L182V43-R47 HydrophobicContact CG1-CG 4.36Å; V43-R47 WeakPolarHBondContact O-CB 3.5Å; V43-R47 WeakPolarHBondContact O-CG 3.43Å; V43-R47 PolarHBondContact O-N 3.37Å; Y45-R47 PolarHBondContact O-N 3.12Å; R47-I49 VanDerWaalsContact C-N 3.29Å; R47-I49 HydrophobicContact CB-CD1 3.95Å; R47-I49 HydrophobicContact CB-CG1 3.9Å; R47-I49 PolarHBondContact O-N 2.78Å; R47-E122 IonicContact CZ-OE1 2.81Å; R47-E122 VanDerWaalsContact CZ-OE1 3.24Å; R47-E122 IonicContact NE-OE1 3.05Å; R47-E122 PolarHBondContact NE-OE1 3.29Å; R47-E122 IonicContact NH2-OE1 2.83Å; R47-E122 PolarHBondContact NH2-OE1 2.92Å; R47-E122 IonicContact NH2-OE2 2.64Å; R47-E122 PolarHBondContact NH2-OE2 3.24Å; R47-Y124 WeakPolarHBondContact CD-OH 3.49Å; R47-Y124 HydrophobicContact CG-CE2 4.35Å; R47-Y124 VanDerWaalsContact CG-OH 3.22Å; R47-Y124 WeakPolarHBondContact CG-OH 3.45Å; R47-Y124 PolarHBondContact NE-OH 2.91Å; R47-L179 PolarHBondContact NH1-O 3.28Å; R47-S180 PolarHBondContact NH1-O 2.8Å; R47-S180 VanDerWaalsContact NH1-O 3.14Å; R47-S180 PolarHBondContact NH2-O 2.71Å; R47-L182 HydrophobicContact CB-CD1 4.01Å
48D92.6Very high93.4Very high77 Ų7732.2 Ų32.241%0.41217%0.167SC..THydrogen-bonded Turntrans56.845.8173.5174.351.1000110.8L44 Y45 R508L44-D48 PolarHBondContact O-N 3.38Å; Y45-D48 WeakPolarHBondContact O-CA 3.42Å; Y45-D48 PolarHBondContact O-N 3.03Å; D48-R508 WeakPolarHBondContact O-CD 3.48Å; D48-R508 PolarHBondContact O-NE 3.09Å; D48-R508 IonicContact OD2-CZ 2.8Å; D48-R508 IonicContact OD2-NE 2.66Å; D48-R508 IonicContact OD2-NH2 3.63Å; D48-R508 PolarHBondContact OD2-NH2 3.13Å
49I92.9Very high92.9Very high6 Ų635.5 Ų35.53%0.03118%0.182CC..  trans-81.9-27.4-178.8-54.8-59.8000110.8L44 R47 L103 L182 I188 V506L44-I49 HydrophobicContact CB-CB 4.42Å; L44-I49 HydrophobicContact CD2-CB 3.99Å; L44-I49 HydrophobicContact CD2-CG1 4.07Å; L44-I49 HydrophobicContact CD2-CG2 3.83Å; L44-I49 WeakPolarHBondContact O-CB 3.43Å; L44-I49 PolarHBondContact O-N 2.66Å; R47-I49 VanDerWaalsContact C-N 3.29Å; R47-I49 HydrophobicContact CB-CD1 3.95Å; R47-I49 HydrophobicContact CB-CG1 3.9Å; R47-I49 PolarHBondContact O-N 2.78Å; I49-L103 HydrophobicContact CD1-CD1 4.07Å; I49-L103 HydrophobicContact CD1-CD2 4.29Å; I49-L182 HydrophobicContact CD1-CD1 3.67Å; I49-I188 HydrophobicContact CG2-CD1 4.41Å; I49-V506 HydrophobicContact CG2-CG1 4.06Å; I49-V506 HydrophobicContact CG2-CG2 4.27Å; I49-V506 WeakPolarHBondContact O-CG1 3.44Å
50F91.8Very high92.4Very high14 Ų1435.5 Ų35.56%0.06118%0.181CC..SBendtrans-137.7150.2175.8-59.3-56.9000109.8L44 A54 F55 L68 A76 I80 V506L44-F50 HydrophobicContact CB-CD2 4.37Å; L44-F50 HydrophobicContact CD1-CE2 4.3Å; L44-F50 HydrophobicContact CD2-CE2 4.19Å; F50-A54 HydrophobicContact CB-CB 3.59Å; F50-A54 HydrophobicContact CG-CB 4.35Å; F50-F55 HydrophobicContact CB-CE2 4Å; F50-F55 HydrophobicContact CB-CZ 4.24Å; F50-L68 HydrophobicContact CD2-CD1 3.61Å; F50-L68 HydrophobicContact CE2-CD1 4.1Å; F50-L68 HydrophobicContact CE2-CD2 4.43Å; F50-A76 HydrophobicContact CE1-CB 3.6Å; F50-A76 HydrophobicContact CZ-CB 4.17Å; F50-I80 HydrophobicContact CE2-CG1 3.85Å; F50-I80 HydrophobicContact CZ-CG1 3.85Å; F50-V506 HydrophobicContact CE1-CG2 4.38Å
51P91.4Very high91.8Very high58 Ų5839.3 Ų39.338%0.37720%0.2SC..  trans-63.9159.9175.728.8-37000111.4S53 A54 F55 L74P51-S53 PolarHBondContact O-N 2.98Å; P51-A54 WeakPolarHBondContact O-CB 3.07Å; P51-A54 PolarHBondContact O-N 3.37Å; P51-F55 WeakPolarHBondContact O-CD2 3.29Å; P51-L74 HydrophobicContact CG-CD1 4.07Å
52E91.4Very high91.1Very high124 Ų12442.7 Ų42.758%0.57923%0.234SC*.G310 helixtrans-52.7-32.9179.6-62.2-156.5-160.600113.6Y45 A54 F55 K66Y45-E52 HydrophobicContact CE2-CG 4.27Å; E52-A54 PolarHBondContact O-N 2.77Å; E52-F55 PolarHBondContact O-N 2.82Å; E52-K66 IonicContact OE2-NZ 2.66Å; E52-K66 PolarHBondContact OE2-NZ 2.78Å; E52-K66 VanDerWaalsContact OE2-NZ 3.11Å
53S92Very high90.7Very high80 Ų8043 Ų4356%0.55924%0.237SC*.G310 helixtrans-60.7-14.5176.559.80000114.2P51 F55 K69P51-S53 PolarHBondContact O-N 2.98Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-K69 WeakPolarHBondContact O-CE 3.33Å; S53-K69 PolarHBondContact O-NZ 2.91Å
54A93Very high90.5Very high0 Ų049 Ų490%026%0.264CS..G310 helixtrans-81.1-3.8173.200000114.5F50 P51 E52 L68 K69 L74F50-A54 HydrophobicContact CB-CB 3.59Å; F50-A54 HydrophobicContact CG-CB 4.35Å; P51-A54 WeakPolarHBondContact O-CB 3.07Å; P51-A54 PolarHBondContact O-N 3.37Å; E52-A54 PolarHBondContact O-N 2.77Å; A54-L68 HydrophobicContact CB-CD1 4.34Å; A54-K69 PolarHBondContact O-N 3.27Å; A54-L74 HydrophobicContact CB-CD1 3.6Å
55F94.3Very high90.3Very high6 Ų649 Ų493%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-120.2168-174.1-57.9-90.7000112.6S41 L44 Y45 F50 P51 E52 S53 K66 I67 L68 K69S41-F55 WeakPolarHBondContact O-CE1 3.3Å; L44-F55 HydrophobicContact CB-CE1 4.38Å; L44-F55 HydrophobicContact CB-CZ 4.22Å; Y45-F55 HydrophobicContact CD2-CD2 4.12Å; Y45-F55 HydrophobicContact CD2-CE2 4.07Å; Y45-F55 HydrophobicContact CD2-CZ 4.42Å; F50-F55 HydrophobicContact CB-CE2 4Å; F50-F55 HydrophobicContact CB-CZ 4.24Å; P51-F55 WeakPolarHBondContact O-CD2 3.29Å; E52-F55 PolarHBondContact O-N 2.82Å; S53-F55 VanDerWaalsContact C-N 3.32Å; F55-K66 HydrophobicContact CB-CB 4.05Å; F55-K66 HydrophobicContact CB-CD 4.2Å; F55-K66 HydrophobicContact CD1-CB 3.99Å; F55-K66 HydrophobicContact CG-CB 4.07Å; F55-I67 CarbonylContact C-O 3.54Å; F55-I67 WeakPolarHBondContact CA-O 3.45Å; F55-L68 HydrophobicContact CD1-CB 4.27Å; F55-L68 HydrophobicContact CD1-CD1 4.06Å; F55-L68 HydrophobicContact CE1-CB 4.2Å; F55-L68 HydrophobicContact CE1-CD1 3.58Å; F55-L68 HydrophobicContact CZ-CD1 3.85Å; F55-K69 PolarHBondContact O-NZ 3.31Å
56H90.5Very high90.1Very high39 Ų3947 Ų4718%0.18126%0.257CS..EExtended strand (participates in β ladder)trans-116.7139160.6-65-80.1000109.5I67 K69H56-I67 PolarHBondContact N-O 2.9Å; H56-I67 PolarHBondContact O-N 2.98Å; H56-K69 VanDerWaalsContact CD2-CB 3.46Å; H56-K69 WeakPolarHBondContact CD2-CB 3.27Å; H56-K69 WeakPolarHBondContact NE2-CB 3.33Å; H56-K69 VanDerWaalsContact NE2-CD 3.29Å; H56-K69 WeakPolarHBondContact NE2-CD 3.25Å
57D90.4Very high90.1Very high89 Ų8946.4 Ų46.448%0.47626%0.255SS..EExtended strand (participates in β ladder)trans-77.6130.1171.8-65-72.8000111.7K66D57-K66 WeakPolarHBondContact OD1-CD 3.22Å; D57-K66 WeakPolarHBondContact OD1-CE 3.2Å; D57-K66 IonicContact OD1-NZ 2.75Å; D57-K66 PolarHBondContact OD1-NZ 3.35Å; D57-K66 IonicContact OD2-NZ 2.99Å; D57-K66 PolarHBondContact OD2-NZ 2.63Å
58K89.1Confident90.2Very high41 Ų4146.6 Ų46.618%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-137.6158.5173.8-56.2-161-177.2-165.30109.8M17 L65 I67M17-K58 HydrophobicContact CE-CB 4.33Å; M17-K58 HydrophobicContact CE-CD 3.73Å; M17-K58 HydrophobicContact SD-CB 4.14Å; M17-K58 HydrophobicContact SD-CD 4Å; K58-L65 PolarHBondContact N-O 2.88Å; K58-L65 PolarHBondContact O-N 3.17Å; K58-I67 HydrophobicContact CB-CG1 4.36Å; K58-I67 HydrophobicContact CD-CG1 4.01Å; K58-I67 HydrophobicContact CG-CG1 4.07Å
59Q86Confident90Very high81 Ų8145.5 Ų45.538%0.37925%0.248SC..EExtended strand (participates in β ladder)trans-120.6133.6-175.8-71.6-73.3-8.300111N13 I63 E64N13-Q59 PolarHBondContact ND2-O 3.07Å; Q59-I63 PolarHBondContact OE1-O 2.95Å; Q59-E64 PolarHBondContact NE2-OE1 3.49Å
60L86.7Confident89.7Confident0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-139.3109.4178.2178.967.8000110.6W14 M17 F18 G62 I63 L65 L166 L169W14-L60 HydrophobicContact CB-CD1 4.43Å; W14-L60 HydrophobicContact CE3-CD1 3.87Å; W14-L60 HydrophobicContact CZ3-CD1 4.49Å; M17-L60 HydrophobicContact CB-CD1 4.2Å; M17-L60 HydrophobicContact CG-CD1 4.24Å; F18-L60 HydrophobicContact CD2-CD1 4.36Å; F18-L60 HydrophobicContact CD2-CD2 4.16Å; F18-L60 HydrophobicContact CE2-CD2 3.66Å; L60-G62 PolarHBondContact O-N 3.21Å; L60-G62 VanDerWaalsContact O-N 3.09Å; L60-I63 PolarHBondContact N-O 3.49Å; L60-I63 WeakPolarHBondContact O-CB 3.31Å; L60-I63 PolarHBondContact O-N 3.5Å; L60-L65 HydrophobicContact CB-CD1 3.6Å; L60-L65 HydrophobicContact CB-CG 4.24Å; L60-L65 HydrophobicContact CD2-CD1 3.92Å; L60-L65 HydrophobicContact CG-CD1 4.41Å; L60-L166 HydrophobicContact CD2-CD2 4.15Å; L60-L166 HydrophobicContact CG-CD2 4.19Å; L60-L169 HydrophobicContact CD2-CD1 3.87Å
61E84.3Confident89.2Confident81 Ų8150.7 Ų50.738%0.37928%0.275SS..THydrogen-bonded Turntrans49.636177.1-49.7-48123.200114.4G12 N13 W14 L166G12-E61 VanDerWaalsContact CA-OE1 3.28Å; G12-E61 WeakPolarHBondContact CA-OE1 3.48Å; G12-E61 WeakPolarHBondContact CA-OE2 3.27Å; N13-E61 PolarHBondContact N-OE1 3.48Å; W14-E61 PolarHBondContact N-OE1 2.83Å; E61-L166 HydrophobicContact CB-CD1 4.06Å; E61-L166 HydrophobicContact CB-CD2 3.97Å; E61-L166 HydrophobicContact CG-CD1 4.22Å; E61-L166 HydrophobicContact CG-CD2 4.21Å
62G81.4Confident88.7Confident73 Ų7353 Ų5375%0.75329%0.293SS*.THydrogen-bonded Turntrans82.310.9-177.100000115.3L60L60-G62 PolarHBondContact O-N 3.21Å; L60-G62 VanDerWaalsContact O-N 3.09Å
63I86.4Confident88.4Confident12 Ų1254.8 Ų54.86%0.06230%0.303CS..EExtended strand (participates in β ladder)trans-101.2126.4169.4-53.3-179.4000109.1Y42 Q59 L60 L65 L166 L169 K170Y42-I63 HydrophobicContact CE1-CG2 4.48Å; Y42-I63 WeakPolarHBondContact OH-CG2 3.45Å; Q59-I63 PolarHBondContact OE1-O 2.95Å; L60-I63 PolarHBondContact N-O 3.49Å; L60-I63 WeakPolarHBondContact O-CB 3.31Å; L60-I63 PolarHBondContact O-N 3.5Å; I63-L65 HydrophobicContact CB-CD2 4.46Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.49Å; I63-L166 HydrophobicContact CD1-CB 4.34Å; I63-L166 HydrophobicContact CD1-CD2 3.68Å; I63-L166 HydrophobicContact CG1-CD2 4.5Å; I63-L169 HydrophobicContact CD1-CB 4.49Å; I63-K170 HydrophobicContact CD1-CD 4.5Å; I63-K170 HydrophobicContact CD1-CG 4.04Å
64E89.8Confident88.1Confident131 Ų13153.2 Ų53.261%0.61229%0.288SS*.EExtended strand (participates in β ladder)trans-81.4119173.6-40.1-150.6123.300109.4Y42 Q59Y42-E64 VanDerWaalsContact CE2-O 3.25Å; Y42-E64 WeakPolarHBondContact CE2-O 3.23Å; Y42-E64 PolarHBondContact OH-O 3.42Å; Q59-E64 PolarHBondContact NE2-OE1 3.49Å
65L90.7Very high87.8Confident0 Ų057.7 Ų57.70%032%0.317CS..EExtended strand (participates in β ladder)trans-111.4125.2-174.6-60.3-177.6000110.8V38 Y42 K58 L60 I63 I67 L169V38-L65 HydrophobicContact CG1-CD1 4.05Å; V38-L65 HydrophobicContact CG1-CD2 4.47Å; Y42-L65 HydrophobicContact CD1-CD2 4.45Å; Y42-L65 HydrophobicContact CD2-CD2 4.35Å; Y42-L65 HydrophobicContact CE1-CD2 3.93Å; Y42-L65 HydrophobicContact CE2-CD2 3.84Å; K58-L65 PolarHBondContact N-O 2.88Å; K58-L65 PolarHBondContact O-N 3.17Å; L60-L65 HydrophobicContact CB-CD1 3.6Å; L60-L65 HydrophobicContact CB-CG 4.24Å; L60-L65 HydrophobicContact CD2-CD1 3.92Å; L60-L65 HydrophobicContact CG-CD1 4.41Å; I63-L65 HydrophobicContact CB-CD2 4.46Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.49Å; L65-I67 HydrophobicContact CB-CD1 4.11Å; L65-L169 HydrophobicContact CD2-CD1 4.19Å
66K92.5Very high87.5Confident22 Ų2258.6 Ų58.610%0.09633%0.326CS..EExtended strand (participates in β ladder)trans-95.9111.7172.9-64.8-90.7-172.7-170.80108.8S41 Y45 E52 F55 D57S41-K66 VanDerWaalsContact CB-O 3.26Å; S41-K66 WeakPolarHBondContact CB-O 3.38Å; Y45-K66 HydrophobicContact CD1-CB 4.11Å; Y45-K66 HydrophobicContact CD1-CG 3.88Å; Y45-K66 HydrophobicContact CD2-CB 3.74Å; Y45-K66 HydrophobicContact CD2-CD 3.92Å; Y45-K66 HydrophobicContact CD2-CG 3.59Å; Y45-K66 HydrophobicContact CE1-CG 3.86Å; Y45-K66 HydrophobicContact CE2-CB 4.25Å; Y45-K66 HydrophobicContact CE2-CD 3.58Å; Y45-K66 HydrophobicContact CE2-CG 3.56Å; Y45-K66 HydrophobicContact CG-CB 3.66Å; Y45-K66 HydrophobicContact CG-CG 3.75Å; Y45-K66 WeakPolarHBondContact OH-CE 3.19Å; E52-K66 IonicContact OE2-NZ 2.66Å; E52-K66 PolarHBondContact OE2-NZ 2.78Å; E52-K66 VanDerWaalsContact OE2-NZ 3.11Å; F55-K66 HydrophobicContact CB-CB 4.05Å; F55-K66 HydrophobicContact CB-CD 4.2Å; F55-K66 HydrophobicContact CD1-CB 3.99Å; F55-K66 HydrophobicContact CG-CB 4.07Å; D57-K66 WeakPolarHBondContact OD1-CD 3.22Å; D57-K66 WeakPolarHBondContact OD1-CE 3.2Å; D57-K66 IonicContact OD1-NZ 2.75Å; D57-K66 PolarHBondContact OD1-NZ 3.35Å; D57-K66 IonicContact OD2-NZ 2.99Å; D57-K66 PolarHBondContact OD2-NZ 2.63Å
67I93.2Very high87.5Confident30 Ų3056.8 Ų56.815%0.15432%0.317CS..EExtended strand (participates in β ladder)trans-103.9124.6-176.4-53.4-53.6000109.7V38 F55 H56 K58 L65V38-I67 HydrophobicContact CB-CD1 4.26Å; V38-I67 HydrophobicContact CG1-CD1 4.06Å; V38-I67 HydrophobicContact CG2-CD1 3.86Å; F55-I67 CarbonylContact C-O 3.54Å; F55-I67 WeakPolarHBondContact CA-O 3.45Å; H56-I67 PolarHBondContact N-O 2.9Å; H56-I67 PolarHBondContact O-N 2.98Å; K58-I67 HydrophobicContact CB-CG1 4.36Å; K58-I67 HydrophobicContact CD-CG1 4.01Å; K58-I67 HydrophobicContact CG-CG1 4.07Å; L65-I67 HydrophobicContact CB-CD1 4.11Å
68L93.3Very high87.5Confident14 Ų1453.5 Ų53.57%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-65.9137.4-176.3-16776.3000110.7S41 L44 F50 A54 F55 I80 V81S41-L68 PolarHBondContact OG-N 3.37Å; L44-L68 HydrophobicContact CD1-CD2 3.9Å; F50-L68 HydrophobicContact CD2-CD1 3.61Å; F50-L68 HydrophobicContact CE2-CD1 4.1Å; F50-L68 HydrophobicContact CE2-CD2 4.43Å; A54-L68 HydrophobicContact CB-CD1 4.34Å; F55-L68 HydrophobicContact CD1-CB 4.27Å; F55-L68 HydrophobicContact CD1-CD1 4.06Å; F55-L68 HydrophobicContact CE1-CB 4.2Å; F55-L68 HydrophobicContact CE1-CD1 3.58Å; F55-L68 HydrophobicContact CZ-CD1 3.85Å; L68-I80 HydrophobicContact CD2-CB 3.74Å; L68-I80 HydrophobicContact CD2-CG1 4.4Å; L68-I80 HydrophobicContact CD2-CG2 3.79Å; L68-V81 HydrophobicContact CD2-CG2 4.06Å; L68-V81 HydrophobicContact CG-CG2 4.37Å
69K88.7Confident87.6Confident54 Ų5454.7 Ų54.724%0.23531%0.307CS..  trans-117.3153.3178.279.1-161.6171.4-154.20113.4S53 A54 F55 H56 S77S53-K69 WeakPolarHBondContact O-CE 3.33Å; S53-K69 PolarHBondContact O-NZ 2.91Å; A54-K69 PolarHBondContact O-N 3.27Å; F55-K69 PolarHBondContact O-NZ 3.31Å; H56-K69 VanDerWaalsContact CD2-CB 3.46Å; H56-K69 WeakPolarHBondContact CD2-CB 3.27Å; H56-K69 WeakPolarHBondContact NE2-CB 3.33Å; H56-K69 VanDerWaalsContact NE2-CD 3.29Å; H56-K69 WeakPolarHBondContact NE2-CD 3.25Å; K69-S77 PolarHBondContact O-OG 3.49Å
70E86.2Confident87.9Confident105 Ų10550.9 Ų50.949%0.49129%0.289SS..  trans-72.9129.9169.4-154.6151.5-151.900107.8V81 K85E70-V81 HydrophobicContact CB-CG1 4.34Å; E70-K85 IonicContact OE1-NZ 2.67Å; E70-K85 PolarHBondContact OE1-NZ 3.35Å; E70-K85 IonicContact OE2-NZ 2.99Å; E70-K85 PolarHBondContact OE2-NZ 3.43Å
71S82Confident88.2Confident24 Ų2452 Ų5217%0.16830%0.295CS..  trans-146.1125.8-171.5175.70000110.1M73 L74 S78S71-M73 PolarHBondContact O-N 2.71Å; S71-M73 PolarHBondContact OG-N 2.81Å; S71-L74 CarbonylContact O-C 3.52Å; S71-L74 PolarHBondContact O-N 3.4Å; S71-L74 PolarHBondContact OG-N 3.1Å; S71-S78 PolarHBondContact N-OG 2.69Å; S71-S78 PolarHBondContact O-OG 2.92Å
72S80.5Confident88.5Confident108 Ų10853.4 Ų53.476%0.75530%0.298SS*.THydrogen-bonded Turntrans-63.6-31.4172.650.40000112.3L74S72-L74 VanDerWaalsContact C-N 3.35Å
73M85.4Confident89.1Confident161 Ų16150 Ų5079%0.79326%0.263SS*.THydrogen-bonded Turntrans-78.2-18.3179.1-56.1-58.9169.900113.1S71S71-M73 PolarHBondContact O-N 2.71Å; S71-M73 PolarHBondContact OG-N 2.81Å
74L85.3Confident89.6Confident47 Ų4750 Ų5025%0.24626%0.262CS..  trans-129.475.3178.3-63.2174.7000110.7P51 A54 S71 S72 A76 S77 S78P51-L74 HydrophobicContact CG-CD1 4.07Å; A54-L74 HydrophobicContact CB-CD1 3.6Å; S71-L74 CarbonylContact O-C 3.52Å; S71-L74 PolarHBondContact O-N 3.4Å; S71-L74 PolarHBondContact OG-N 3.1Å; S72-L74 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 3.03Å; L74-S77 PolarHBondContact O-N 3.1Å; L74-S77 PolarHBondContact O-OG 3.41Å; L74-S77 VanDerWaalsContact O-OG 3.12Å; L74-S78 PolarHBondContact O-N 3.03Å
75P87.8Confident89.7Confident93 Ų9347.9 Ų47.960%0.60425%0.251SS*.Hα-helixtrans-54.5-26.4179.9-27.135.6000114.1K79P75-K79 WeakPolarHBondContact O-CB 3.17Å; P75-K79 PolarHBondContact O-N 2.93Å
76A87.4Confident89.8Confident26 Ų2647.9 Ų47.922%0.21525%0.251CS..Hα-helixtrans-63.9-45.4174.700000113F50 L74 K79 I80 I504F50-A76 HydrophobicContact CE1-CB 3.6Å; F50-A76 HydrophobicContact CZ-CB 4.17Å; L74-A76 PolarHBondContact O-N 3.03Å; A76-K79 PolarHBondContact O-N 3.34Å; A76-I80 PolarHBondContact O-N 3.47Å; A76-I504 HydrophobicContact CB-CG2 3.75Å
77S90.2Very high90Very high0 Ų046.9 Ų46.90%025%0.247CC..Hα-helixtrans-67.6-43.1177.572.10000110.9K69 L74 K79 I80 V81K69-S77 PolarHBondContact O-OG 3.49Å; L74-S77 PolarHBondContact O-N 3.1Å; L74-S77 PolarHBondContact O-OG 3.41Å; L74-S77 VanDerWaalsContact O-OG 3.12Å; S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 3.33Å; S77-I80 WeakPolarHBondContact O-CB 3.42Å; S77-I80 PolarHBondContact O-N 2.95Å; S77-V81 PolarHBondContact O-N 3.23Å
78S90.5Very high90.1Very high20 Ų2048 Ų4814%0.1425%0.251CS..Hα-helixtrans-56-39.3174.9-58.10000112.6S71 L74 V81 Y82S71-S78 PolarHBondContact N-OG 2.69Å; S71-S78 PolarHBondContact O-OG 2.92Å; L74-S78 PolarHBondContact O-N 3.03Å; S78-V81 WeakPolarHBondContact O-CB 3.47Å; S78-V81 PolarHBondContact O-N 3.12Å; S78-Y82 PolarHBondContact O-N 3.44Å
79K90.3Very high90.1Very high66 Ų6649.5 Ų49.529%0.28726%0.259SS..Hα-helixtrans-71.4-30.9177-171.6172.2152.4-165.10112.8P75 A76 S77 Y82 W83 T502 P503 I504P75-K79 WeakPolarHBondContact O-CB 3.17Å; P75-K79 PolarHBondContact O-N 2.93Å; A76-K79 PolarHBondContact O-N 3.34Å; S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 3.33Å; K79-Y82 PolarHBondContact O-N 3.13Å; K79-W83 HydrophobicContact CG-CZ2 4.33Å; K79-W83 VanDerWaalsContact O-CG 3.22Å; K79-W83 PolarHBondContact O-N 2.97Å; K79-W83 VanDerWaalsContact O-N 3.09Å; K79-T502 WeakPolarHBondContact CE-O 3.22Å; K79-T502 PolarHBondContact NZ-O 3.38Å; K79-P503 PolarHBondContact NZ-O 2.98Å; K79-I504 HydrophobicContact CB-CD1 3.76Å; K79-I504 HydrophobicContact CB-CG1 4.48Å; K79-I504 HydrophobicContact CD-CD1 3.85Å; K79-I504 HydrophobicContact CD-CG1 3.66Å; K79-I504 VanDerWaalsContact CE-CG1 3.44Å; K79-I504 HydrophobicContact CG-CD1 3.75Å; K79-I504 HydrophobicContact CG-CG1 4.14Å
80I93.1Very high90.4Very high2 Ų246.9 Ų46.91%0.0125%0.248CC..Hα-helixtrans-65.2-43.8166.1-53.9-54.5000110.9V40 L44 F50 L68 A76 S77 Y82 W83 L84 I188 I504V40-I80 HydrophobicContact CG1-CG2 4.37Å; L44-I80 HydrophobicContact CD1-CG2 3.87Å; F50-I80 HydrophobicContact CE2-CG1 3.85Å; F50-I80 HydrophobicContact CZ-CG1 3.85Å; L68-I80 HydrophobicContact CD2-CB 3.74Å; L68-I80 HydrophobicContact CD2-CG1 4.4Å; L68-I80 HydrophobicContact CD2-CG2 3.79Å; A76-I80 PolarHBondContact O-N 3.47Å; S77-I80 WeakPolarHBondContact O-CB 3.42Å; S77-I80 PolarHBondContact O-N 2.95Å; I80-Y82 PolarHBondContact O-N 3Å; I80-W83 HydrophobicContact CD1-CD2 4.26Å; I80-W83 HydrophobicContact CD1-CE3 3.41Å; I80-W83 VanDerWaalsContact CD1-CE3 3.41Å; I80-W83 HydrophobicContact CD1-CH2 3.98Å; I80-W83 HydrophobicContact CD1-CZ3 3.26Å; I80-W83 WeakPolarHBondContact O-CA 3.46Å; I80-W83 WeakPolarHBondContact O-CB 3.48Å; I80-W83 PolarHBondContact O-N 3.34Å; I80-L84 PolarHBondContact O-N 3.44Å; I80-I188 HydrophobicContact CD1-CD1 4.1Å; I80-I188 HydrophobicContact CD1-CG2 4.28Å; I80-I504 HydrophobicContact CD1-CD1 3.6Å; I80-I504 HydrophobicContact CG1-CD1 4.32Å
81V92.6Very high90.8Very high22 Ų2242 Ų4213%0.13323%0.225CC..Hα-helixtrans-59.5-38.3176.7173.50000110.8L68 E70 S77 S78 L84 K85L68-V81 HydrophobicContact CD2-CG2 4.06Å; L68-V81 HydrophobicContact CG-CG2 4.37Å; E70-V81 HydrophobicContact CB-CG1 4.34Å; S77-V81 PolarHBondContact O-N 3.23Å; S78-V81 WeakPolarHBondContact O-CB 3.47Å; S78-V81 PolarHBondContact O-N 3.12Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 2.99Å; V81-K85 WeakPolarHBondContact O-CG 3.46Å; V81-K85 PolarHBondContact O-N 3.12Å
82Y91.9Very high91.3Very high111 Ų11142.7 Ų42.744%0.43523%0.226SC..Hα-helixtrans-64.7-38172.5-174-128.7000113.2S78 K79 I80 K85 G86 P206 G207S78-Y82 PolarHBondContact O-N 3.44Å; K79-Y82 PolarHBondContact O-N 3.13Å; I80-Y82 PolarHBondContact O-N 3Å; Y82-K85 HydrophobicContact CD2-CD 4.45Å; Y82-K85 WeakPolarHBondContact O-CB 3.46Å; Y82-K85 PolarHBondContact O-N 2.94Å; Y82-G86 PolarHBondContact O-N 3.36Å; Y82-G86 VanDerWaalsContact O-N 3.08Å; Y82-P206 HydrophobicContact CE2-CB 3.87Å; Y82-G207 PolarHBondContact OH-N 3.46Å
83W93.9Very high91.9Very high3 Ų343.2 Ų43.21%0.01121%0.212CC..Hα-helixtrans-64.5-37.9171.4-58.1-17.1000112.4K79 I80 G86 C87 I188 M190 F208 N501 I504K79-W83 HydrophobicContact CG-CZ2 4.33Å; K79-W83 VanDerWaalsContact O-CG 3.22Å; K79-W83 PolarHBondContact O-N 2.97Å; K79-W83 VanDerWaalsContact O-N 3.09Å; I80-W83 HydrophobicContact CD1-CD2 4.26Å; I80-W83 HydrophobicContact CD1-CE3 3.41Å; I80-W83 VanDerWaalsContact CD1-CE3 3.41Å; I80-W83 HydrophobicContact CD1-CH2 3.98Å; I80-W83 HydrophobicContact CD1-CZ3 3.26Å; I80-W83 WeakPolarHBondContact O-CA 3.46Å; I80-W83 WeakPolarHBondContact O-CB 3.48Å; I80-W83 PolarHBondContact O-N 3.34Å; W83-G86 PolarHBondContact O-N 3.02Å; W83-C87 PolarHBondContact O-N 3.19Å; W83-C87 PolarHBondContact O-SG 3.45Å; W83-C87 VanDerWaalsContact O-SG 3.37Å; W83-I188 HydrophobicContact CZ3-CG1 4.48Å; W83-M190 HydrophobicContact CB-CE 4.21Å; W83-M190 HydrophobicContact CE3-CB 3.95Å; W83-M190 HydrophobicContact CE3-CE 4.29Å; W83-M190 HydrophobicContact CZ3-CB 4.21Å; W83-F208 HydrophobicContact CB-CE2 4.16Å; W83-F208 HydrophobicContact CB-CZ 3.86Å; W83-F208 HydrophobicContact CG-CZ 4.28Å; W83-F208 WeakPolarHBondContact O-CE2 3.42Å; W83-N501 HydrophobicContact CD2-CB 4.4Å; W83-N501 WeakPolarHBondContact CH2-ND2 3.18Å; W83-N501 WeakPolarHBondContact CH2-OD1 3.29Å; W83-N501 HydrophobicContact CZ2-CB 4.01Å; W83-N501 VanDerWaalsContact CZ2-ND2 3.27Å; W83-N501 WeakPolarHBondContact CZ2-ND2 3.4Å; W83-N501 WeakPolarHBondContact CZ2-OD1 3.06Å; W83-N501 WeakPolarHBondContact CZ3-ND2 3.35Å; W83-I504 HydrophobicContact CH2-CD1 3.45Å; W83-I504 VanDerWaalsContact CH2-CD1 3.45Å; W83-I504 HydrophobicContact CH2-CG1 3.69Å; W83-I504 HydrophobicContact CZ2-CD1 3.51Å; W83-I504 HydrophobicContact CZ2-CG1 3.65Å; W83-I504 HydrophobicContact CZ3-CD1 4.09Å
84L95.4Very high92.2Very high10 Ų1038.1 Ų38.15%0.05219%0.186CC..Hα-helixtrans-62.9-41.9173.7-68.1176.4000111.5F36 V40 I80 V81 G86 C87 F88F36-L84 HydrophobicContact CD1-CD2 3.97Å; F36-L84 HydrophobicContact CE1-CD2 3.44Å; F36-L84 VanDerWaalsContact CE1-CD2 3.44Å; F36-L84 HydrophobicContact CZ-CD2 4.1Å; V40-L84 HydrophobicContact CB-CD2 4.21Å; V40-L84 HydrophobicContact CG1-CD1 4.45Å; V40-L84 HydrophobicContact CG1-CD2 4.1Å; V40-L84 HydrophobicContact CG2-CD2 4.18Å; I80-L84 PolarHBondContact O-N 3.44Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 2.99Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.19Å; L84-C87 PolarHBondContact O-N 2.96Å; L84-F88 HydrophobicContact CB-CE2 4.31Å; L84-F88 HydrophobicContact CB-CZ 4.05Å; L84-F88 WeakPolarHBondContact O-CD1 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 WeakPolarHBondContact O-CG 3.46Å; L84-F88 PolarHBondContact O-N 2.87Å
85K92.8Very high92.6Very high88 Ų8837.2 Ų37.238%0.38318%0.18SC..Hα-helixtrans-56.3-42171.8-67.1167.9-175168.20111.2E70 V81 Y82 F88 D89E70-K85 IonicContact OE1-NZ 2.67Å; E70-K85 PolarHBondContact OE1-NZ 3.35Å; E70-K85 IonicContact OE2-NZ 2.99Å; E70-K85 PolarHBondContact OE2-NZ 3.43Å; V81-K85 WeakPolarHBondContact O-CG 3.46Å; V81-K85 PolarHBondContact O-N 3.12Å; Y82-K85 HydrophobicContact CD2-CD 4.45Å; Y82-K85 WeakPolarHBondContact O-CB 3.46Å; Y82-K85 PolarHBondContact O-N 2.94Å; K85-F88 PolarHBondContact O-N 3.15Å; K85-D89 PolarHBondContact O-N 2.98Å
86G92.5Very high92.9Very high0 Ų032.8 Ų32.80%015%0.151CC..Hα-helixtrans-61.8-46.6172.800000114.1Y82 W83 L84 F88 D89 A90 P205 P206Y82-G86 PolarHBondContact O-N 3.36Å; Y82-G86 VanDerWaalsContact O-N 3.08Å; W83-G86 PolarHBondContact O-N 3.02Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.19Å; G86-F88 VanDerWaalsContact C-N 3.29Å; G86-F88 PolarHBondContact O-N 3.4Å; G86-D89 PolarHBondContact O-N 2.91Å; G86-A90 PolarHBondContact O-N 2.85Å; G86-P205 WeakPolarHBondContact O-CB 3.48Å; G86-P206 VanDerWaalsContact CA-O 3.24Å; G86-P206 WeakPolarHBondContact CA-O 3.42Å
87C96Very high93.1Very high0 Ų035.6 Ų35.60%016%0.159CC..Hα-helixtrans-61-37175-67.60000112.5F36 W83 L84 A90 I91 L96 M190 L192F36-C87 HydrophobicContact CD1-CB 4.4Å; F36-C87 HydrophobicContact CE1-CB 3.54Å; F36-C87 HydrophobicContact CZ-CB 4.18Å; W83-C87 PolarHBondContact O-N 3.19Å; W83-C87 PolarHBondContact O-SG 3.45Å; W83-C87 VanDerWaalsContact O-SG 3.37Å; L84-C87 PolarHBondContact O-N 2.96Å; C87-A90 PolarHBondContact O-N 3.18Å; C87-I91 WeakPolarHBondContact O-CB 3.44Å; C87-I91 WeakPolarHBondContact O-CD1 3.47Å; C87-I91 WeakPolarHBondContact O-CG1 3.35Å; C87-I91 PolarHBondContact O-N 3.25Å; C87-L96 HydrophobicContact CB-CD2 4.31Å; C87-M190 VanDerWaalsContact SG-SD 3.63Å; C87-L192 VanDerWaalsContact SG-CD2 3.56Å
88F96.6Very high93.3Very high55 Ų5535.8 Ų35.824%0.24116%0.16CC..Hα-helixtrans-64.1-39.2179.1-62.7-24.3000112.9K33 F36 A37 L84 K85 G86 I91 D92K33-F88 HydrophobicContact CB-CD1 3.91Å; K33-F88 HydrophobicContact CB-CE1 4.1Å; K33-F88 HydrophobicContact CD-CB 3.84Å; K33-F88 HydrophobicContact CD-CD1 3.97Å; K33-F88 HydrophobicContact CD-CG 4.06Å; K33-F88 HydrophobicContact CG-CD1 3.97Å; K33-F88 WeakPolarHBondContact O-CE1 3.34Å; F36-F88 HydrophobicContact CD1-CE1 4.26Å; A37-F88 HydrophobicContact CB-CE1 4.23Å; A37-F88 HydrophobicContact CB-CZ 3.87Å; L84-F88 HydrophobicContact CB-CE2 4.31Å; L84-F88 HydrophobicContact CB-CZ 4.05Å; L84-F88 WeakPolarHBondContact O-CD1 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 WeakPolarHBondContact O-CG 3.46Å; L84-F88 PolarHBondContact O-N 2.87Å; K85-F88 PolarHBondContact O-N 3.15Å; G86-F88 VanDerWaalsContact C-N 3.29Å; G86-F88 PolarHBondContact O-N 3.4Å; F88-I91 PolarHBondContact O-N 3.1Å; F88-D92 WeakPolarHBondContact O-CB 3.32Å; F88-D92 PolarHBondContact O-N 3.47Å
89D93.9Very high93.5Very high44 Ų4434.9 Ų34.924%0.23515%0.154CC..Hα-helixtrans-64.9-41.9174.118084.1000111.4K85 G86 I91 D92 R93 Y203K85-D89 PolarHBondContact O-N 2.98Å; G86-D89 PolarHBondContact O-N 2.91Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.01Å; D89-D92 PolarHBondContact O-N 3.42Å; D89-R93 VanDerWaalsContact O-CG 3.31Å; D89-R93 WeakPolarHBondContact O-CG 3.32Å; D89-R93 PolarHBondContact O-N 3.01Å; D89-R93 VanDerWaalsContact O-N 3.14Å; D89-R93 IonicContact OD1-CZ 3.11Å; D89-R93 VanDerWaalsContact OD1-CZ 3.27Å; D89-R93 IonicContact OD1-NE 2.74Å; D89-R93 PolarHBondContact OD1-NE 2.93Å; D89-R93 IonicContact OD1-NH2 3.42Å; D89-R93 PolarHBondContact OD1-NH2 3.26Å; D89-R93 IonicContact OD2-CZ 3.7Å; D89-R93 IonicContact OD2-NE 3.9Å; D89-R93 PolarHBondContact OD2-NE 3.03Å; D89-R93 IonicContact OD2-NH2 2.93Å; D89-Y203 VanDerWaalsContact OD2-CE2 3.25Å; D89-Y203 WeakPolarHBondContact OD2-CE2 3.13Å; D89-Y203 PolarHBondContact OD2-OH 3.31Å
90A93.6Very high93.6Very high0 Ų032.4 Ų32.40%014%0.144CC..Hα-helixtrans-67-28.7175.800000112.8G86 C87 F95 L96 Y194 Y203G86-A90 PolarHBondContact O-N 2.85Å; C87-A90 PolarHBondContact O-N 3.18Å; A90-F95 PolarHBondContact O-N 3.13Å; A90-L96 HydrophobicContact CB-CB 3.88Å; A90-L96 HydrophobicContact CB-CD1 4.36Å; A90-L96 PolarHBondContact O-N 3.35Å; A90-Y194 HydrophobicContact CB-CE1 4.08Å; A90-Y203 WeakPolarHBondContact CA-OH 3.08Å; A90-Y203 HydrophobicContact CB-CE1 4.19Å; A90-Y203 WeakPolarHBondContact CB-OH 3.3Å; A90-Y203 PolarHBondContact N-OH 3.3Å; A90-Y203 VanDerWaalsContact N-OH 3.12Å
91I95.1Very high93.7Very high1 Ų132.5 Ų32.51%0.00515%0.145CC..Hα-helixtrans-73.4-47.7173.2-70.2164.7000110.9L29 K33 F36 C87 F88 D89 R93 H94 L96 L128L29-I91 HydrophobicContact CD1-CG2 3.61Å; K33-I91 HydrophobicContact CD-CB 4.38Å; K33-I91 HydrophobicContact CD-CG2 4.1Å; K33-I91 HydrophobicContact CG-CB 4.13Å; K33-I91 HydrophobicContact CG-CD1 4.19Å; K33-I91 HydrophobicContact CG-CG2 3.58Å; F36-I91 HydrophobicContact CD1-CD1 4.36Å; C87-I91 WeakPolarHBondContact O-CB 3.44Å; C87-I91 WeakPolarHBondContact O-CD1 3.47Å; C87-I91 WeakPolarHBondContact O-CG1 3.35Å; C87-I91 PolarHBondContact O-N 3.25Å; F88-I91 PolarHBondContact O-N 3.1Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.01Å; I91-R93 PolarHBondContact O-N 3.27Å; I91-H94 PolarHBondContact O-CD2 3.1Å; I91-H94 PolarHBondContact O-N 2.84Å; I91-L96 HydrophobicContact CD1-CD2 3.97Å; I91-L96 HydrophobicContact CG1-CB 4.13Å; I91-L96 HydrophobicContact CG1-CD2 3.66Å; I91-L128 HydrophobicContact CD1-CD2 3.87Å; I91-L128 HydrophobicContact CG1-CD2 3.66Å
92D92.9Very high93.7Very high39 Ų3931.5 Ų31.521%0.20914%0.138CC..Hα-helixtrans-65.1-20.5-179.2-79.6-1.3000113.5K33 F88 D89K33-D92 VanDerWaalsContact CD-OD1 3.3Å; K33-D92 WeakPolarHBondContact CD-OD1 3.11Å; K33-D92 WeakPolarHBondContact CE-OD1 3.33Å; K33-D92 IonicContact NZ-OD1 3.44Å; K33-D92 PolarHBondContact NZ-OD1 3.47Å; K33-D92 IonicContact NZ-OD2 2.69Å; K33-D92 PolarHBondContact NZ-OD2 3.43Å; F88-D92 WeakPolarHBondContact O-CB 3.32Å; F88-D92 PolarHBondContact O-N 3.47Å; D89-D92 PolarHBondContact O-N 3.42Å
93R91.8Very high93.6Very high119 Ų11926.4 Ų26.445%0.44912%0.119SC..THydrogen-bonded Turntrans-91.8-3.5173.4-63.5174.4-163.8-86.2-6.4113.8D89 I91 F95D89-R93 VanDerWaalsContact O-CG 3.31Å; D89-R93 WeakPolarHBondContact O-CG 3.32Å; D89-R93 PolarHBondContact O-N 3.01Å; D89-R93 VanDerWaalsContact O-N 3.14Å; D89-R93 IonicContact OD1-CZ 3.11Å; D89-R93 VanDerWaalsContact OD1-CZ 3.27Å; D89-R93 IonicContact OD1-NE 2.74Å; D89-R93 PolarHBondContact OD1-NE 2.93Å; D89-R93 IonicContact OD1-NH2 3.42Å; D89-R93 PolarHBondContact OD1-NH2 3.26Å; D89-R93 IonicContact OD2-CZ 3.7Å; D89-R93 IonicContact OD2-NE 3.9Å; D89-R93 PolarHBondContact OD2-NE 3.03Å; D89-R93 IonicContact OD2-NH2 2.93Å; I91-R93 PolarHBondContact O-N 3.27Å; R93-F95 HydrophobicContact CB-CD1 3.93Å; R93-F95 HydrophobicContact CB-CD2 3.57Å; R93-F95 HydrophobicContact CB-CE1 3.98Å; R93-F95 HydrophobicContact CB-CE2 3.64Å; R93-F95 HydrophobicContact CB-CG 3.72Å; R93-F95 HydrophobicContact CB-CZ 3.84Å; R93-F95 HydrophobicContact CG-CD2 4.37Å; R93-F95 HydrophobicContact CG-CE2 4.15Å; R93-F95 WeakPolarHBondContact O-CD1 3.46Å; R93-F95 WeakPolarHBondContact O-CE1 3.35Å; R93-F95 PolarHBondContact O-N 3.09Å
94H92.9Very high93.3Very high55 Ų5526.4 Ų26.426%0.25512%0.119SC..THydrogen-bonded Turntrans6126.5-173.3-57-164.9000113.3E25 I91 Y130 H235E25-H94 IonicContact OE1-CE1 2.8Å; E25-H94 PolarHBondContact OE1-CE1 3.4Å; I91-H94 PolarHBondContact O-CD2 3.1Å; I91-H94 PolarHBondContact O-N 2.84Å; H94-Y130 HydrophobicContact CB-CD1 3.67Å; H94-Y130 HydrophobicContact CB-CD2 4.22Å; H94-Y130 HydrophobicContact CB-CE1 3.83Å; H94-Y130 HydrophobicContact CB-CE2 4.33Å; H94-Y130 HydrophobicContact CB-CG 3.94Å; H94-Y130 AromaticContact CD2-CD1 3.88Å; H94-Y130 AromaticContact CD2-CE1 3.93Å; H94-Y130 AromaticContact CG-CD1 3.46Å; H94-Y130 VanDerWaalsContact CG-CD1 3.46Å; H94-Y130 AromaticContact CG-CE1 3.8Å; H94-Y130 AromaticContact ND1-CD1 3.71Å; H94-H235 AromaticContact CE1-NE2 3.99Å
95F93.8Very high92.7Very high27 Ų2727.6 Ų27.612%0.11813%0.128CC..  trans-88.9-34.9-178.2-64.3-14000112.5A90 R93 K97 Y194 Y195 V198 T199 P200 Y203A90-F95 PolarHBondContact O-N 3.13Å; R93-F95 HydrophobicContact CB-CD1 3.93Å; R93-F95 HydrophobicContact CB-CD2 3.57Å; R93-F95 HydrophobicContact CB-CE1 3.98Å; R93-F95 HydrophobicContact CB-CE2 3.64Å; R93-F95 HydrophobicContact CB-CG 3.72Å; R93-F95 HydrophobicContact CB-CZ 3.84Å; R93-F95 HydrophobicContact CG-CD2 4.37Å; R93-F95 HydrophobicContact CG-CE2 4.15Å; R93-F95 WeakPolarHBondContact O-CD1 3.46Å; R93-F95 WeakPolarHBondContact O-CE1 3.35Å; R93-F95 PolarHBondContact O-N 3.09Å; F95-K97 PolarHBondContact O-N 3.48Å; F95-Y194 HydrophobicContact CB-CD1 4.18Å; F95-Y194 CarbonylContact O-C 3.58Å; F95-Y194 WeakPolarHBondContact O-CA 3.33Å; F95-Y194 WeakPolarHBondContact O-CB 3.17Å; F95-Y195 PolarHBondContact O-N 3.18Å; F95-V198 HydrophobicContact CD1-CB 4.48Å; F95-V198 HydrophobicContact CD1-CG2 4.01Å; F95-V198 WeakPolarHBondContact CE1-O 3.41Å; F95-T199 HydrophobicContact CB-CG2 4.1Å; F95-T199 WeakPolarHBondContact CB-OG1 3.45Å; F95-T199 HydrophobicContact CD2-CG2 3.91Å; F95-T199 HydrophobicContact CE2-CG2 4.47Å; F95-T199 HydrophobicContact CG-CG2 3.97Å; F95-P200 VanDerWaalsContact CZ-CD 3.41Å; F95-P200 HydrophobicContact CZ-CG 4.23Å; F95-Y203 AromaticContact CD2-CD1 3.73Å; F95-Y203 HydrophobicContact CD2-CD1 3.73Å; F95-Y203 HydrophobicContact CD2-CD2 4.02Å; F95-Y203 AromaticContact CD2-CE1 3.75Å; F95-Y203 HydrophobicContact CD2-CE1 3.75Å; F95-Y203 HydrophobicContact CD2-CE2 4.04Å; F95-Y203 AromaticContact CD2-CG 3.86Å; F95-Y203 HydrophobicContact CD2-CG 3.86Å; F95-Y203 AromaticContact CD2-CZ 3.9Å; F95-Y203 HydrophobicContact CE2-CD1 4.26Å; F95-Y203 AromaticContact CE2-CD2 3.82Å; F95-Y203 HydrophobicContact CE2-CD2 3.82Å; F95-Y203 HydrophobicContact CE2-CE2 4.11Å; F95-Y203 AromaticContact CE2-CG 3.9Å; F95-Y203 HydrophobicContact CE2-CG 3.9Å
96L94.2Very high91.6Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-70.6115.8-171.3-169.567000112.8C87 A90 I91 S98 A99 L128 Y130 L192 Y194C87-L96 HydrophobicContact CB-CD2 4.31Å; A90-L96 HydrophobicContact CB-CB 3.88Å; A90-L96 HydrophobicContact CB-CD1 4.36Å; A90-L96 PolarHBondContact O-N 3.35Å; I91-L96 HydrophobicContact CD1-CD2 3.97Å; I91-L96 HydrophobicContact CG1-CB 4.13Å; I91-L96 HydrophobicContact CG1-CD2 3.66Å; L96-S98 WeakPolarHBondContact CD1-O 3.37Å; L96-A99 HydrophobicContact CD2-CB 4.34Å; L96-L128 HydrophobicContact CD2-CD1 3.96Å; L96-L128 HydrophobicContact CD2-CD2 4.36Å; L96-L128 HydrophobicContact CG-CD1 4.26Å; L96-Y130 VanDerWaalsContact O-CE2 3.31Å; L96-Y130 WeakPolarHBondContact O-CE2 3.3Å; L96-Y130 PolarHBondContact O-OH 3.3Å; L96-Y130 VanDerWaalsContact O-OH 3.13Å; L96-L192 HydrophobicContact CD1-CB 3.99Å; L96-L192 HydrophobicContact CD1-CD1 4.25Å; L96-L192 HydrophobicContact CD1-CD2 4.07Å; L96-L192 HydrophobicContact CD1-CG 4.32Å; L96-Y194 HydrophobicContact CD1-CD1 4.41Å; L96-Y194 HydrophobicContact CD1-CE1 4.19Å
97K92Very high90.1Very high86 Ų8633.2 Ų33.237%0.37417%0.169SC..EExtended strand (participates in β ladder)trans-93.3-40.6176.1-176.2177.9-176.41760111.7F95 R127 L128 Q193 Y194 Y195F95-K97 PolarHBondContact O-N 3.48Å; K97-R127 WeakPolarHBondContact O-CA 3.35Å; K97-L128 PolarHBondContact O-N 2.89Å; K97-Q193 WeakPolarHBondContact CA-O 3.31Å; K97-Q193 WeakPolarHBondContact CB-O 3.23Å; K97-Q193 PolarHBondContact N-O 2.78Å; K97-Y194 WeakPolarHBondContact CD-O 3.36Å; K97-Y195 HydrophobicContact CB-CD2 3.65Å; K97-Y195 HydrophobicContact CB-CE2 3.69Å; K97-Y195 HydrophobicContact CB-CG 4.18Å; K97-Y195 HydrophobicContact CD-CD1 4.35Å; K97-Y195 HydrophobicContact CD-CE1 4.45Å; K97-Y195 HydrophobicContact CD-CG 4.46Å; K97-Y195 HydrophobicContact CG-CD1 4.49Å; K97-Y195 HydrophobicContact CG-CD2 4.18Å; K97-Y195 HydrophobicContact CG-CE1 4.27Å; K97-Y195 HydrophobicContact CG-CE2 3.93Å; K97-Y195 HydrophobicContact CG-CG 4.46Å
98S93.1Very high88.1Confident4 Ų437.5 Ų37.53%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-152.4148.8173.838.60000112.8L96 F126 L192 Q193L96-S98 WeakPolarHBondContact CD1-O 3.37Å; S98-F126 CarbonylContact C-O 3.6Å; S98-F126 WeakPolarHBondContact CA-O 3.14Å; S98-F126 WeakPolarHBondContact CB-O 3.4Å; S98-L192 WeakPolarHBondContact O-CA 3.22Å; S98-Q193 PolarHBondContact N-O 3.21Å; S98-Q193 VanDerWaalsContact N-O 3.1Å; S98-Q193 PolarHBondContact O-N 2.7Å; S98-Q193 WeakPolarHBondContact OG-CB 3.18Å; S98-Q193 WeakPolarHBondContact OG-CG 3.25Å; S98-Q193 PolarHBondContact OG-OE1 2.92Å
99A95.5Very high86Confident0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-123125.1164.500000108.8F36 L96 F126 M190 L192F36-A99 HydrophobicContact CE2-CB 3.95Å; F36-A99 HydrophobicContact CZ-CB 3.79Å; L96-A99 HydrophobicContact CD2-CB 4.34Å; A99-F126 PolarHBondContact N-O 3.37Å; A99-F126 PolarHBondContact O-N 3.4Å; A99-M190 HydrophobicContact CB-SD 4.2Å; A99-L192 HydrophobicContact CB-CD2 3.62Å
100T93.2Very high83.8Confident15 Ų1543.4 Ų43.49%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-118.6109.1-179.8-56.90000109Y124 C125 M190 K191 F216T100-Y124 WeakPolarHBondContact CA-O 3.34Å; T100-C125 HydrophobicContact CG2-CB 4.16Å; T100-C125 PolarHBondContact OG1-SG 3.18Å; T100-M190 CarbonylContact O-C 3.56Å; T100-M190 VanDerWaalsContact O-CA 3.3Å; T100-M190 WeakPolarHBondContact O-CA 3.09Å; T100-K191 PolarHBondContact N-O 2.97Å; T100-K191 PolarHBondContact O-N 2.76Å; T100-F216 HydrophobicContact CG2-CD2 4.23Å; T100-F216 HydrophobicContact CG2-CE2 4.01Å
101I94.6Very high81.6Confident4 Ų451 Ų512%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-75.9135.7163.8-64.2170.9000107.1V40 S123 Y124 F126 I188 T189 M190V40-I101 HydrophobicContact CB-CD1 4.3Å; V40-I101 HydrophobicContact CG1-CD1 3.63Å; V40-I101 HydrophobicContact CG2-CD1 3.86Å; I101-S123 CarbonylContact O-C 3.5Å; I101-S123 WeakPolarHBondContact O-CA 3.1Å; I101-S123 VanDerWaalsContact O-CB 3.27Å; I101-S123 WeakPolarHBondContact O-CB 3.5Å; I101-Y124 PolarHBondContact N-O 3.03Å; I101-Y124 PolarHBondContact O-N 2.88Å; I101-F126 HydrophobicContact CD1-CE2 4.5Å; I101-I188 HydrophobicContact CG2-CD1 3.73Å; I101-I188 HydrophobicContact CG2-CG1 3.85Å; I101-T189 WeakPolarHBondContact CA-O 3.24Å; I101-M190 HydrophobicContact CD1-CE 3.98Å; I101-M190 HydrophobicContact CG1-CB 4.47Å; I101-M190 HydrophobicContact CG1-CE 3.64Å; I101-M190 HydrophobicContact CG1-CG 3.98Å; I101-M190 HydrophobicContact CG1-SD 4.48Å
102A91.4Very high79.3Confident0 Ų057.1 Ų57.10%030%0.296CS..EExtended strand (participates in β ladder)trans-134143176.600000111.5I120 I188 T189 F216A102-I120 HydrophobicContact CB-CD1 3.73Å; A102-I120 HydrophobicContact CB-CG1 4.2Å; A102-I120 HydrophobicContact CB-CG2 4.11Å; A102-I188 WeakPolarHBondContact O-CA 3.2Å; A102-T189 HydrophobicContact CB-CG2 4.01Å; A102-T189 PolarHBondContact N-O 2.8Å; A102-T189 PolarHBondContact O-N 2.66Å; A102-F216 HydrophobicContact CB-CD2 4.05Å; A102-F216 HydrophobicContact CB-CE1 4.49Å; A102-F216 HydrophobicContact CB-CE2 3.57Å; A102-F216 HydrophobicContact CB-CZ 3.83Å
103L91.5Very high77.4Confident4 Ų458.6 Ų58.62%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-117.3129.1-178.1-58.1174.2000108.8I49 I121 E122 Y124 L182 M187 I188I49-L103 HydrophobicContact CD1-CD1 4.07Å; I49-L103 HydrophobicContact CD1-CD2 4.29Å; L103-I121 PolarHBondContact O-N 2.76Å; L103-E122 WeakPolarHBondContact CB-O 3.48Å; L103-E122 HydrophobicContact CD1-CB 4.4Å; L103-E122 PolarHBondContact N-O 3.41Å; L103-E122 PolarHBondContact O-N 2.87Å; L103-Y124 HydrophobicContact CD1-CE2 4.35Å; L103-L182 HydrophobicContact CD1-CD1 3.7Å; L103-L182 HydrophobicContact CD1-CD2 4.46Å; L103-M187 WeakPolarHBondContact CA-O 3.31Å; L103-I188 HydrophobicContact CD2-CB 3.77Å; L103-I188 HydrophobicContact CD2-CD1 3.9Å; L103-I188 HydrophobicContact CD2-CG1 3.7Å
104Y87.4Confident75.6Confident3 Ų361 Ų611%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-146.1167.7-17866.5-81.3000111.2D109 Y118 N119 I120 L186 M187 T189 P503Y104-D109 WeakPolarHBondContact CE2-OD1 3.31Å; Y104-D109 WeakPolarHBondContact CE2-OD2 3.23Å; Y104-Y118 HydrophobicContact CD1-CD1 4.4Å; Y104-Y118 HydrophobicContact CD2-CD1 4.13Å; Y104-Y118 AromaticContact CE1-CD1 3.9Å; Y104-Y118 HydrophobicContact CE1-CD1 3.9Å; Y104-Y118 HydrophobicContact CE1-CE1 4.27Å; Y104-Y118 AromaticContact CE2-CD1 3.59Å; Y104-Y118 HydrophobicContact CE2-CD1 3.59Å; Y104-Y118 HydrophobicContact CE2-CE1 4.04Å; Y104-Y118 AromaticContact CZ-CD1 3.45Å; Y104-Y118 VanDerWaalsContact CZ-CD1 3.45Å; Y104-Y118 AromaticContact CZ-CE1 3.63Å; Y104-Y118 WeakPolarHBondContact OH-CE1 3.47Å; Y104-N119 WeakPolarHBondContact CB-O 3.37Å; Y104-I120 HydrophobicContact CD1-CD1 4.29Å; Y104-I120 HydrophobicContact CG-CD1 4.42Å; Y104-L186 WeakPolarHBondContact O-CA 3.48Å; Y104-L186 WeakPolarHBondContact O-CD2 3.39Å; Y104-M187 HydrophobicContact CD1-CB 3.78Å; Y104-M187 WeakPolarHBondContact CD1-O 3.16Å; Y104-M187 HydrophobicContact CD2-CB 3.89Å; Y104-M187 HydrophobicContact CD2-CG 4.29Å; Y104-M187 HydrophobicContact CE1-CB 3.37Å; Y104-M187 HydrophobicContact CE1-CG 4.45Å; Y104-M187 HydrophobicContact CE2-CB 3.5Å; Y104-M187 HydrophobicContact CE2-CG 3.74Å; Y104-M187 HydrophobicContact CG-CB 4.02Å; Y104-M187 PolarHBondContact N-O 3.27Å; Y104-M187 PolarHBondContact O-N 2.96Å; Y104-T189 HydrophobicContact CD1-CG2 4.21Å; Y104-T189 HydrophobicContact CE1-CG2 3.83Å; Y104-P503 WeakPolarHBondContact OH-CB 3.42Å; Y104-P503 VanDerWaalsContact OH-CG 3.32Å; Y104-P503 WeakPolarHBondContact OH-CG 3.25Å
105S81.6Confident73.8Confident36 Ų3664 Ų6425%0.25234%0.338SS..  trans-92.3137.3175.6-178.90000110.8D107S105-D107 VanDerWaalsContact C-N 3.26Å; S105-D107 PolarHBondContact O-N 2.9Å
106A69.2Low72.4Confident50 Ų5065.2 Ų65.241%0.41335%0.35SS..G310 helixtrans-65.1-28.5178.300000113.3K108 D109 M187A106-K108 PolarHBondContact O-N 3.36Å; A106-D109 PolarHBondContact O-N 3.3Å; A106-M187 HydrophobicContact CB-CG 3.73Å; A106-M187 HydrophobicContact CB-SD 4.05Å
107D62.2Low71.3Confident156 Ų15670.6 Ų70.683%0.83438%0.375SS*.G310 helixtrans-74.38.2-170.7-15636000113.8S105S105-D107 VanDerWaalsContact C-N 3.26Å; S105-D107 PolarHBondContact O-N 2.9Å
108K54.3Low70.5Confident89 Ų8967.9 Ų67.939%0.38736%0.363SS..G310 helixtrans-126.33.1-176.7-65-165.9173.3-169.80115A106 L110 E219A106-K108 PolarHBondContact O-N 3.36Å; K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 2.9Å; K108-E219 WeakPolarHBondContact CD-OE1 3.29Å; K108-E219 IonicContact NZ-OE1 2.96Å; K108-E219 PolarHBondContact NZ-OE1 2.99Å; K108-E219 IonicContact NZ-OE2 2.7Å; K108-E219 PolarHBondContact NZ-OE2 2.9Å
109D52.7Low70.1Confident75 Ų7569.9 Ų69.940%0.40137%0.373SS..  trans-76.275178.6-77.22.5000110.9Y104 A106 H111Y104-D109 WeakPolarHBondContact CE2-OD1 3.31Å; Y104-D109 WeakPolarHBondContact CE2-OD2 3.23Å; A106-D109 PolarHBondContact O-N 3.3Å; D109-H111 PolarHBondContact O-N 2.74Å
110L47.6Very low69.6Low149 Ų14970 Ų7078%0.7837%0.374SS*.  trans-71.284.5-177.6-85.6163.6000113.1K108K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 2.9Å
111H47.3Very low69.4Low159 Ų15970.6 Ų70.674%0.73638%0.376SS*.  trans70.1144.8171.1-57.2-78.7000117D109 S113D109-H111 PolarHBondContact O-N 2.74Å; H111-S113 VanDerWaalsContact C-N 3.33Å; H111-S113 PolarHBondContact O-N 2.88Å
112P45.7Very low69.2Low129 Ų12970.4 Ų70.484%0.83838%0.375SS*.  trans-76.881.6172.533.1-34.8000110.8
113S52.8Low69.2Low70 Ų7070.6 Ų70.649%0.4938%0.376SS..  trans-75.5170.5163.498.60000110.6H111 F115H111-S113 VanDerWaalsContact C-N 3.33Å; H111-S113 PolarHBondContact O-N 2.88Å; S113-F115 PolarHBondContact O-N 3.31Å; S113-F115 VanDerWaalsContact O-N 3.1Å; S113-F115 PolarHBondContact OG-N 2.54Å; S113-F115 PolarHBondContact OG-O 2.84Å
114E53.8Low69.3Low170 Ų17070.7 Ų70.779%0.79438%0.376SS*.SBendtrans-62.7-13.4173.5-65.1-170.9136.500113.4N213E114-N213 VanDerWaalsContact O-CB 3.27Å; E114-N213 WeakPolarHBondContact O-CB 3.33Å; E114-N213 PolarHBondContact O-ND2 3.09Å
115F56.8Low69.6Low118 Ų11871 Ų7152%0.51838%0.379SS..SBendtrans-110.9131.3171.2-64.4-91000110.1S113 N213S113-F115 PolarHBondContact O-N 3.31Å; S113-F115 VanDerWaalsContact O-N 3.1Å; S113-F115 PolarHBondContact OG-N 2.54Å; S113-F115 PolarHBondContact OG-O 2.84Å; F115-N213 HydrophobicContact CD1-CB 3.73Å; F115-N213 HydrophobicContact CE1-CB 4.04Å; F115-N213 HydrophobicContact CG-CB 4.35Å
116C64.2Low70.4Confident53 Ų5369.4 Ų69.436%0.35837%0.367SS..EExtended strand (participates in β ladder)trans-103.698.3176.5-60.40000108.9Y118 N213 V214 S215C116-Y118 HydrophobicContact CB-CE2 3.98Å; C116-N213 PolarHBondContact N-O 3.41Å; C116-V214 HydrophobicContact CB-CG2 4.15Å; C116-V214 WeakPolarHBondContact O-CA 3.42Å; C116-S215 PolarHBondContact O-N 2.89Å; C116-S215 VanDerWaalsContact O-N 3.13Å
117E70Confident71.5Confident112 Ų11272 Ų7252%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-93.5114.5177.7-57.5-125.4101.500109.9S215 N217E117-S215 WeakPolarHBondContact CA-OG 3.36Å; E117-S215 VanDerWaalsContact CD-OG 3.28Å; E117-S215 VanDerWaalsContact CG-OG 3.25Å; E117-S215 WeakPolarHBondContact CG-OG 3.47Å; E117-S215 WeakPolarHBondContact OE1-CB 3.46Å; E117-S215 PolarHBondContact OE1-OG 3.08Å; E117-N217 PolarHBondContact OE1-ND2 3.38Å; E117-N217 PolarHBondContact OE2-ND2 3.3Å
118Y76.6Confident73.1Confident30 Ų3064.8 Ų64.812%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-102126.7178.3-61.6-76.3000111.2Y104 C116 I120 V214 S215 F216 N217Y104-Y118 HydrophobicContact CD1-CD1 4.4Å; Y104-Y118 HydrophobicContact CD2-CD1 4.13Å; Y104-Y118 AromaticContact CE1-CD1 3.9Å; Y104-Y118 HydrophobicContact CE1-CD1 3.9Å; Y104-Y118 HydrophobicContact CE1-CE1 4.27Å; Y104-Y118 AromaticContact CE2-CD1 3.59Å; Y104-Y118 HydrophobicContact CE2-CD1 3.59Å; Y104-Y118 HydrophobicContact CE2-CE1 4.04Å; Y104-Y118 AromaticContact CZ-CD1 3.45Å; Y104-Y118 VanDerWaalsContact CZ-CD1 3.45Å; Y104-Y118 AromaticContact CZ-CE1 3.63Å; Y104-Y118 WeakPolarHBondContact OH-CE1 3.47Å; C116-Y118 HydrophobicContact CB-CE2 3.98Å; Y118-I120 PolarHBondContact O-N 3.05Å; Y118-V214 HydrophobicContact CD2-CG1 3.85Å; Y118-V214 HydrophobicContact CE2-CG1 3.75Å; Y118-V214 HydrophobicContact CE2-CG2 4.38Å; Y118-S215 PolarHBondContact N-O 3.11Å; Y118-F216 AromaticContact CD2-CD1 3.94Å; Y118-F216 HydrophobicContact CD2-CD1 3.94Å; Y118-F216 AromaticContact CD2-CE1 3.74Å; Y118-F216 HydrophobicContact CD2-CE1 3.74Å; Y118-F216 HydrophobicContact CE2-CE1 4.44Å; Y118-F216 HydrophobicContact CG-CD1 4.45Å; Y118-F216 HydrophobicContact CG-CE1 4.38Å; Y118-N217 PolarHBondContact O-N 3.19Å; Y118-N217 VanDerWaalsContact O-O 3.13Å
119N82.8Confident74.9Confident46 Ų4661.5 Ų61.525%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-84.186.3177.6-74-50.2000110.9Y104 N217 E219Y104-N119 WeakPolarHBondContact CB-O 3.37Å; N119-N217 CarbonylContact C-O 3.55Å; N119-E219 HydrophobicContact CB-CG 3.92Å
120I86.2Confident76.7Confident3 Ų359.2 Ų59.22%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-74.6129.7-172.4-54.1-45.4000111.4A102 Y104 Y118 E122 F216 N217 F218A102-I120 HydrophobicContact CB-CD1 3.73Å; A102-I120 HydrophobicContact CB-CG1 4.2Å; A102-I120 HydrophobicContact CB-CG2 4.11Å; Y104-I120 HydrophobicContact CD1-CD1 4.29Å; Y104-I120 HydrophobicContact CG-CD1 4.42Å; Y118-I120 PolarHBondContact O-N 3.05Å; I120-E122 WeakPolarHBondContact CG2-O 3.35Å; I120-F216 HydrophobicContact CD1-CD1 4.05Å; I120-F216 HydrophobicContact CD1-CE1 4.42Å; I120-F216 HydrophobicContact CD1-CG 4.24Å; I120-F216 HydrophobicContact CG1-CB 3.8Å; I120-F216 HydrophobicContact CG1-CD1 4.22Å; I120-F216 HydrophobicContact CG1-CD2 4.49Å; I120-F216 HydrophobicContact CG1-CG 3.95Å; I120-N217 PolarHBondContact N-O 3.15Å; I120-F218 HydrophobicContact CB-CD1 4.36Å; I120-F218 HydrophobicContact CB-CD2 4.45Å; I120-F218 HydrophobicContact CB-CE1 4.13Å; I120-F218 HydrophobicContact CB-CE2 4.22Å; I120-F218 HydrophobicContact CB-CZ 4.06Å; I120-F218 HydrophobicContact CG2-CD1 4.42Å; I120-F218 HydrophobicContact CG2-CE1 3.72Å; I120-F218 HydrophobicContact CG2-CE2 4.22Å; I120-F218 HydrophobicContact CG2-CZ 3.61Å; I120-F218 WeakPolarHBondContact O-CD1 2.96Å
121I88.4Confident78.2Confident27 Ų2753.3 Ų53.314%0.13828%0.277CS..EExtended strand (participates in β ladder)trans-87.3-44.8173.4-62.6169000109.4L103 L182 P183 L186 S244 L247L103-I121 PolarHBondContact O-N 2.76Å; I121-L182 HydrophobicContact CG2-CD2 4.3Å; I121-P183 HydrophobicContact CD1-CG 4.2Å; I121-L186 HydrophobicContact CD1-CD2 3.81Å; I121-S244 PolarHBondContact O-N 2.86Å; I121-L247 HydrophobicContact CG2-CD1 3.65Å
122E89.9Confident79Confident0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-153.9139.7-175.4-172.7158.481.400110.9R47 L103 I120 Y124 L182 I241 Q242 T243R47-E122 IonicContact CZ-OE1 2.81Å; R47-E122 VanDerWaalsContact CZ-OE1 3.24Å; R47-E122 IonicContact NE-OE1 3.05Å; R47-E122 PolarHBondContact NE-OE1 3.29Å; R47-E122 IonicContact NH2-OE1 2.83Å; R47-E122 PolarHBondContact NH2-OE1 2.92Å; R47-E122 IonicContact NH2-OE2 2.64Å; R47-E122 PolarHBondContact NH2-OE2 3.24Å; L103-E122 WeakPolarHBondContact CB-O 3.48Å; L103-E122 HydrophobicContact CD1-CB 4.4Å; L103-E122 PolarHBondContact N-O 3.41Å; L103-E122 PolarHBondContact O-N 2.87Å; I120-E122 WeakPolarHBondContact CG2-O 3.35Å; E122-Y124 HydrophobicContact CG-CE2 3.77Å; E122-Y124 PolarHBondContact OE1-OH 2.95Å; E122-Y124 VanDerWaalsContact OE1-OH 3.11Å; E122-L182 HydrophobicContact CB-CD2 4.39Å; E122-I241 HydrophobicContact CG-CG2 4.08Å; E122-Q242 CarbonylContact C-O 3.55Å; E122-Q242 WeakPolarHBondContact CA-O 3.14Å; E122-T243 WeakPolarHBondContact OE2-CB 3.24Å; E122-T243 PolarHBondContact OE2-OG1 2.75Å
123S92Very high79.2Confident4 Ų454 Ų543%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-140150.3177.176.30000113.1I101 I241 Q242I101-S123 CarbonylContact O-C 3.5Å; I101-S123 WeakPolarHBondContact O-CA 3.1Å; I101-S123 VanDerWaalsContact O-CB 3.27Å; I101-S123 WeakPolarHBondContact O-CB 3.5Å; S123-I241 CarbonylContact O-C 3.35Å; S123-I241 VanDerWaalsContact O-CA 3.27Å; S123-I241 WeakPolarHBondContact O-CA 3.27Å; S123-I241 WeakPolarHBondContact O-CG2 3.44Å; S123-Q242 PolarHBondContact N-O 3.45Å; S123-Q242 PolarHBondContact O-N 2.82Å
124Y94.8Very high78.3Confident5 Ų558.1 Ų58.12%0.0228%0.279CS..EExtended strand (participates in β ladder)trans-123103.9-177.4-66.5-90.6000108.6V43 R47 T100 I101 L103 E122 M239 I241V43-Y124 HydrophobicContact CB-CD1 4.33Å; V43-Y124 HydrophobicContact CB-CE1 4.43Å; V43-Y124 HydrophobicContact CG1-CD1 3.69Å; V43-Y124 HydrophobicContact CG1-CD2 3.65Å; V43-Y124 HydrophobicContact CG1-CE1 3.69Å; V43-Y124 HydrophobicContact CG1-CE2 3.66Å; V43-Y124 HydrophobicContact CG1-CG 3.69Å; V43-Y124 HydrophobicContact CG2-CD1 3.59Å; V43-Y124 HydrophobicContact CG2-CE1 3.82Å; V43-Y124 HydrophobicContact CG2-CG 4.22Å; R47-Y124 WeakPolarHBondContact CD-OH 3.49Å; R47-Y124 HydrophobicContact CG-CE2 4.35Å; R47-Y124 VanDerWaalsContact CG-OH 3.22Å; R47-Y124 WeakPolarHBondContact CG-OH 3.45Å; R47-Y124 PolarHBondContact NE-OH 2.91Å; T100-Y124 WeakPolarHBondContact CA-O 3.34Å; I101-Y124 PolarHBondContact N-O 3.03Å; I101-Y124 PolarHBondContact O-N 2.88Å; L103-Y124 HydrophobicContact CD1-CE2 4.35Å; E122-Y124 HydrophobicContact CG-CE2 3.77Å; E122-Y124 PolarHBondContact OE1-OH 2.95Å; E122-Y124 VanDerWaalsContact OE1-OH 3.11Å; Y124-M239 HydrophobicContact CD1-CE 3.92Å; Y124-I241 HydrophobicContact CD1-CD1 4.28Å; Y124-I241 HydrophobicContact CD1-CG1 3.83Å; Y124-I241 HydrophobicContact CD1-CG2 4.36Å; Y124-I241 HydrophobicContact CE1-CB 4.37Å; Y124-I241 HydrophobicContact CE1-CD1 3.55Å; Y124-I241 HydrophobicContact CE1-CG1 3.59Å; Y124-I241 HydrophobicContact CE1-CG2 3.97Å
125C93.4Very high77.2Confident11 Ų1156.9 Ų56.97%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-107.6116.7-173.9-178.60000111.8T100 H240T100-C125 HydrophobicContact CG2-CB 4.16Å; T100-C125 PolarHBondContact OG1-SG 3.18Å; C125-H240 WeakPolarHBondContact CB-CE1 3.25Å; C125-H240 PolarHBondContact N-O 3.1Å; C125-H240 PolarHBondContact O-CE1 3.41Å; C125-H240 PolarHBondContact O-N 3.29Å; C125-H240 VanDerWaalsContact O-N 3.13Å; C125-H240 PolarHBondContact O-ND1 3.18Å; C125-H240 PolarHBondContact SG-CE1 3.02Å
126F97Very high75.8Confident1 Ų156.7 Ų56.70%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-98.6114.3174.4-58-96.3000108F36 A39 V40 S98 A99 I101 I237 K238 M239F36-F126 HydrophobicContact CD2-CB 3.99Å; F36-F126 AromaticContact CD2-CD1 3.79Å; F36-F126 HydrophobicContact CD2-CD1 3.79Å; F36-F126 HydrophobicContact CD2-CD2 4.19Å; F36-F126 HydrophobicContact CD2-CE1 4.27Å; F36-F126 AromaticContact CD2-CG 3.73Å; F36-F126 HydrophobicContact CD2-CG 3.73Å; F36-F126 HydrophobicContact CE2-CB 3.85Å; F36-F126 HydrophobicContact CE2-CD1 4.14Å; F36-F126 AromaticContact CE2-CD2 3.67Å; F36-F126 HydrophobicContact CE2-CD2 3.67Å; F36-F126 HydrophobicContact CE2-CE2 4.22Å; F36-F126 AromaticContact CE2-CG 3.62Å; F36-F126 HydrophobicContact CE2-CG 3.62Å; A39-F126 HydrophobicContact CB-CE1 3.71Å; A39-F126 HydrophobicContact CB-CZ 4.28Å; V40-F126 HydrophobicContact CG2-CD2 4.45Å; V40-F126 HydrophobicContact CG2-CE1 4.39Å; V40-F126 HydrophobicContact CG2-CE2 3.66Å; V40-F126 HydrophobicContact CG2-CZ 3.62Å; S98-F126 CarbonylContact C-O 3.6Å; S98-F126 WeakPolarHBondContact CA-O 3.14Å; S98-F126 WeakPolarHBondContact CB-O 3.4Å; A99-F126 PolarHBondContact N-O 3.37Å; A99-F126 PolarHBondContact O-N 3.4Å; I101-F126 HydrophobicContact CD1-CE2 4.5Å; F126-I237 HydrophobicContact CD1-CD1 4.19Å; F126-K238 CarbonylContact C-O 3.5Å; F126-K238 WeakPolarHBondContact CA-O 3.43Å; F126-M239 HydrophobicContact CD1-CB 4.29Å; F126-M239 HydrophobicContact CD1-CG 3.97Å; F126-M239 HydrophobicContact CD1-SD 4.11Å; F126-M239 HydrophobicContact CE1-CB 4.47Å; F126-M239 HydrophobicContact CE1-CE 3.73Å; F126-M239 HydrophobicContact CE1-CG 3.81Å; F126-M239 HydrophobicContact CE1-SD 3.38Å; F126-M239 WeakPolarHBondContact CE1-SD 3.09Å; F126-M239 HydrophobicContact CE2-CE 4.31Å; F126-M239 HydrophobicContact CZ-CE 3.49Å; F126-M239 VanDerWaalsContact CZ-CE 3.49Å; F126-M239 HydrophobicContact CZ-CG 4.32Å; F126-M239 HydrophobicContact CZ-SD 3.84Å
127R93.3Very high74.3Confident105 Ų10559 Ų5940%0.39630%0.299SS..EExtended strand (participates in β ladder)trans-102127.1173.5-71.3-178.5-73.5167.5-11.4109.4K97 I237 K238 H240K97-R127 WeakPolarHBondContact O-CA 3.35Å; R127-I237 WeakPolarHBondContact O-CA 3.14Å; R127-K238 HydrophobicContact CB-CB 4.35Å; R127-K238 PolarHBondContact N-O 3.42Å; R127-K238 PolarHBondContact O-N 3.33Å; R127-H240 PolarHBondContact NE-CE1 3.13Å; R127-H240 VanDerWaalsContact NE-CE1 3.34Å
128L95.1Very high72.5Confident4 Ų459.6 Ų59.62%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-101.7161.7178.4-68.183.9000110.2I32 I91 L96 K97 Y195 S236 I237I32-L128 HydrophobicContact CG2-CD2 3.97Å; I91-L128 HydrophobicContact CD1-CD2 3.87Å; I91-L128 HydrophobicContact CG1-CD2 3.66Å; L96-L128 HydrophobicContact CD2-CD1 3.96Å; L96-L128 HydrophobicContact CD2-CD2 4.36Å; L96-L128 HydrophobicContact CG-CD1 4.26Å; K97-L128 PolarHBondContact O-N 2.89Å; L128-Y195 PolarHBondContact O-OH 3.12Å; L128-S236 CarbonylContact C-O 3.49Å; L128-S236 WeakPolarHBondContact CA-O 3.41Å; L128-I237 HydrophobicContact CG-CG1 4.49Å
129S91.7Very high70.7Confident21 Ų2164.2 Ų64.215%0.14733%0.332CS..EExtended strand (participates in β ladder)trans-153.1133.8169.9-56.20000109.8H235 S236S129-H235 CarbonylContact O-C 3.58Å; S129-H235 WeakPolarHBondContact O-CA 3.37Å; S129-S236 PolarHBondContact N-O 3.29Å; S129-S236 PolarHBondContact O-N 2.81Å
130Y91Very high68.2Low26 Ų2670.4 Ų70.410%0.10236%0.356CS..EExtended strand (participates in β ladder)trans-98.9138.8178.3-50.6-91.9000108.9H94 L96 Y195 H235H94-Y130 HydrophobicContact CB-CD1 3.67Å; H94-Y130 HydrophobicContact CB-CD2 4.22Å; H94-Y130 HydrophobicContact CB-CE1 3.83Å; H94-Y130 HydrophobicContact CB-CE2 4.33Å; H94-Y130 HydrophobicContact CB-CG 3.94Å; H94-Y130 AromaticContact CD2-CD1 3.88Å; H94-Y130 AromaticContact CD2-CE1 3.93Å; H94-Y130 AromaticContact CG-CD1 3.46Å; H94-Y130 VanDerWaalsContact CG-CD1 3.46Å; H94-Y130 AromaticContact CG-CE1 3.8Å; H94-Y130 AromaticContact ND1-CD1 3.71Å; L96-Y130 VanDerWaalsContact O-CE2 3.31Å; L96-Y130 WeakPolarHBondContact O-CE2 3.3Å; L96-Y130 PolarHBondContact O-OH 3.3Å; L96-Y130 VanDerWaalsContact O-OH 3.13Å; Y130-Y195 HydrophobicContact CD2-CD2 4.31Å; Y130-Y195 AromaticContact CD2-CE2 3.85Å; Y130-Y195 HydrophobicContact CD2-CE2 3.85Å; Y130-Y195 HydrophobicContact CE2-CD2 4.11Å; Y130-Y195 AromaticContact CE2-CE2 3.78Å; Y130-Y195 HydrophobicContact CE2-CE2 3.78Å; Y130-H235 AromaticContact CD1-CD2 3.34Å; Y130-H235 WeakPolarHBondContact CD1-CD2 3.45Å; Y130-H235 AromaticContact CD1-NE2 3.5Å; Y130-H235 WeakPolarHBondContact CD1-NE2 3.47Å; Y130-H235 AromaticContact CE1-CD2 3.93Å
131G80Confident65.8Low25 Ų2576.1 Ų76.126%0.25839%0.391SS..  trans-79.9171.8175.700000112.3H234G131-H234 WeakPolarHBondContact CA-O 3.41Å; G131-H234 PolarHBondContact N-O 2.99Å
132Q64.5Low63.1Low136 Ų13683.7 Ų83.764%0.63643%0.426SS*.  trans-119.2147.7164.6-74.1-173.8-22.500109.4K134 L150Q132-K134 PolarHBondContact O-N 2.87Å; Q132-L150 HydrophobicContact CG-CD2 4.1Å
133E48Very low60.6Low166 Ų16691 Ų9178%0.77647%0.465SS*.  trans-56.5127.7166-64.4-175.4118.500109.8L135E133-L135 PolarHBondContact O-N 2.91Å
134K34.8Very low57.8Low157 Ų157100.2 Ų100.268%0.68351%0.505SS*.  trans-71.477.4169.7-87.1-175.7170.9177.50110Q132 S136Q132-K134 PolarHBondContact O-N 2.87Å; K134-S136 PolarHBondContact O-N 3.46Å
135L30.7Very low55Low144 Ų144111.3 Ų111.375%0.75455%0.547SS*.  trans-67.484.9162.2-90.1167.6000109.2E133 L137E133-L135 PolarHBondContact O-N 2.91Å; L135-L137 PolarHBondContact O-N 2.86Å
136S27.6Very low52Low114 Ų114119.6 Ų119.680%0.79758%0.584SS**  trans-72.281.6-175.959.40000112.3K134K134-S136 PolarHBondContact O-N 3.46Å
137L33.3Very low48.9Very low102 Ų102124.7 Ų124.753%0.53462%0.62SS.*  trans-97.2112.4156.1-88.981.1000109L135 L139L135-L137 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.39Å
138D31.3Very low46Very low125 Ų125125.5 Ų125.567%0.66864%0.642SS**  trans-68.685.8174-17620.3000110.2K140D138-K140 WeakPolarHBondContact OD1-CE 3.42Å; D138-K140 WeakPolarHBondContact OD2-CE 3.22Å; D138-K140 IonicContact OD2-NZ 3Å; D138-K140 PolarHBondContact OD2-NZ 3.26Å
139L38.5Very low43.5Very low127 Ų127127.1 Ų127.167%0.66565%0.652SS**  trans-115.885.3173.3-73.8176000109.6L137 T141L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.39Å; L139-T141 PolarHBondContact O-N 3.49Å
140K30.4Very low41.3Very low176 Ų176131.3 Ų131.377%0.76567%0.672SS**  trans-59.4106.8172.6-65.3165.3-170.81600109.6D138D138-K140 WeakPolarHBondContact OD1-CE 3.42Å; D138-K140 WeakPolarHBondContact OD2-CE 3.22Å; D138-K140 IonicContact OD2-NZ 3Å; D138-K140 PolarHBondContact OD2-NZ 3.26Å
141T35.9Very low38.9Very low122 Ų122132.4 Ų132.475%0.74868%0.683SS**  trans-145.7104.2168.4-62.50000108.2L139 N143L139-T141 PolarHBondContact O-N 3.49Å; T141-N143 PolarHBondContact O-N 3.05Å
142E32.2Very low37.2Very low187 Ų187138.8 Ų138.887%0.87471%0.706SS**  trans-68.2124.9173.9-58.8-170.3139.900109.9
143N37.4Very low36.8Very low154 Ų154134 Ų13482%0.82469%0.685SS**  trans-163.5116.7148.6-106-57.8000110.9T141T141-N143 PolarHBondContact O-N 3.05Å
144K33.5Very low37.3Very low196 Ų196128.8 Ų128.885%0.85267%0.666SS**  trans-73.9125.1174.9-63.9171177.8174.40110.1
145R34.7Very low38.4Very low239 Ų239128.6 Ų128.690%0.90267%0.672SS**  trans-168.6134.1149.1-101.9139.5-158.6-149.33112.3
146E30.1Very low40.3Very low185 Ų185124.7 Ų124.786%0.86465%0.65SS**  trans-67.7135.4-171-58.191.7-170.300114.9
147S32.4Very low42.8Very low108 Ų108121.1 Ų121.176%0.75563%0.625SS**  trans-155.6126.4142.7-154.60000108.7
148S33.6Very low45.3Very low122 Ų122119.2 Ų119.285%0.85361%0.613SS**  trans-110.258.3-153.647.90000115.1
149T41.7Very low47.9Very low38 Ų38118.3 Ų118.323%0.23361%0.607CS.*  trans-87.9-22.2179.2-26.40000113.8Y195 E197T149-Y195 HydrophobicContact CG2-CD1 4.1Å; T149-Y195 HydrophobicContact CG2-CE1 4.42Å; T149-E197 WeakPolarHBondContact CB-OE1 3.3Å; T149-E197 VanDerWaalsContact CG2-CD 3.44Å; T149-E197 HydrophobicContact CG2-CG 4.44Å; T149-E197 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E197 PolarHBondContact OG1-OE1 3.29Å; T149-E197 PolarHBondContact OG1-OE2 3.36Å
150L46.6Very low50.4Low109 Ų109118.1 Ų118.157%0.57160%0.603SS**  trans-124.1145.6-163.3-56.3173.2000112.3Q132Q132-L150 HydrophobicContact CG-CD2 4.1Å
151C39.9Very low53.3Low48 Ų48109.8 Ų109.832%0.32457%0.567SS.*  trans-119.1127.7172.5-171.50000109.4I153C151-I153 PolarHBondContact O-N 3.44Å
152E44.2Very low56Low160 Ų160107.1 Ų107.175%0.74854%0.543SS*.  trans-63.5119.4166-67.6-172.1-173.700109.6S154E152-S154 PolarHBondContact O-N 3.41Å
153I56.4Low58.8Low36 Ų36104.9 Ų104.919%0.18553%0.53CS..  trans-88.494168.3-56.7-170.7000107.6C151 T232 A233 H234C151-I153 PolarHBondContact O-N 3.44Å; I153-T232 WeakPolarHBondContact CG2-O 3.47Å; I153-A233 WeakPolarHBondContact CG2-O 3.36Å; I153-H234 VanDerWaalsContact CD1-C 3.41Å
154S57.8Low61.5Low56 Ų5699 Ų9939%0.39250%0.503SS..  trans-74.9149.1170.459.10000111.7E152 F156E152-S154 PolarHBondContact O-N 3.41Å; S154-F156 PolarHBondContact O-N 2.83Å
155D57.9Low64.4Low152 Ų15289.6 Ų89.681%0.81346%0.462SS*.SBendtrans2976.9158.2-62.114.6000114.8
156F69.8Low67.3Low63 Ų6380.2 Ų80.228%0.27643%0.43SS..  trans-80.7130.9179.8167.1-107.4000112L22 S154 E158 A161 T232 A233L22-F156 HydrophobicContact CB-CE1 4.42Å; L22-F156 HydrophobicContact CB-CE2 4.34Å; L22-F156 HydrophobicContact CB-CZ 3.67Å; S154-F156 PolarHBondContact O-N 2.83Å; F156-E158 HydrophobicContact CE1-CG 3.91Å; F156-E158 HydrophobicContact CZ-CB 4.23Å; F156-E158 HydrophobicContact CZ-CG 3.57Å; F156-A161 HydrophobicContact CE2-CB 4.06Å; F156-T232 VanDerWaalsContact CD2-C 3.42Å; F156-T232 VanDerWaalsContact CD2-CA 3.47Å; F156-A233 HydrophobicContact CB-CB 4.11Å; F156-A233 HydrophobicContact CD1-CB 3.72Å; F156-A233 VanDerWaalsContact CD2-N 3.31Å; F156-A233 HydrophobicContact CE1-CB 4.39Å; F156-A233 HydrophobicContact CG-CB 3.8Å
157S81.3Confident70.3Confident39 Ų3974.2 Ų74.227%0.27341%0.408SS..  trans-131.1127171.6172.30000111I159 E160 A161S157-I159 PolarHBondContact O-N 2.81Å; S157-I159 PolarHBondContact OG-N 3.47Å; S157-E160 PolarHBondContact O-N 3.42Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-A161 PolarHBondContact O-N 3.34Å
158E85.2Confident73.3Confident61 Ų6169.2 Ų69.229%0.28537%0.373SS..Hα-helixtrans-59.2-34.9173.9-76.9-175.9-163.200112.5E21 L22 F156 E160 A161 R162E21-E158 WeakPolarHBondContact CA-OE1 3.4Å; L22-E158 HydrophobicContact CB-CG 4.31Å; L22-E158 PolarHBondContact N-OE1 3.13Å; F156-E158 HydrophobicContact CE1-CG 3.91Å; F156-E158 HydrophobicContact CZ-CB 4.23Å; F156-E158 HydrophobicContact CZ-CG 3.57Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.21Å; E158-A161 PolarHBondContact O-N 2.82Å; E158-R162 WeakPolarHBondContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CG 3.48Å; E158-R162 PolarHBondContact O-N 3.32Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NH2 2.71Å; E158-R162 PolarHBondContact OE2-NH2 2.86Å
159I87.3Confident76.2Confident107 Ų10763.4 Ų63.455%0.54933%0.332SS..Hα-helixtrans-65.9-36.9179.2-59.9174.6000109.8S157 K163S157-I159 PolarHBondContact O-N 2.81Å; S157-I159 PolarHBondContact OG-N 3.47Å; I159-K163 HydrophobicContact CG2-CD 4.22Å; I159-K163 WeakPolarHBondContact O-CB 3.31Å; I159-K163 VanDerWaalsContact O-CG 3.25Å; I159-K163 WeakPolarHBondContact O-CG 3.47Å; I159-K163 PolarHBondContact O-N 3.29Å
160E89.9Confident78.7Confident122 Ų12267 Ų6757%0.5735%0.345SS*.Hα-helixtrans-73.6-41.1176.1-66.6-176.1-17100112.1S157 E158 R162 K163 A164S157-E160 PolarHBondContact O-N 3.42Å; S157-E160 VanDerWaalsContact O-N 3.13Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.21Å; E160-R162 VanDerWaalsContact C-N 3.34Å; E160-R162 PolarHBondContact O-N 2.95Å; E160-K163 PolarHBondContact O-N 3.36Å; E160-A164 VanDerWaalsContact O-CB 3.24Å; E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 3Å
161A91.3Very high80.9Confident2 Ų263.6 Ų63.62%0.01733%0.327CS..Hα-helixtrans-59.5-43.6173.200000112L22 F156 S157 E158 T165 K231L22-A161 HydrophobicContact CD1-CB 3.87Å; F156-A161 HydrophobicContact CE2-CB 4.06Å; S157-A161 PolarHBondContact O-N 3.34Å; E158-A161 PolarHBondContact O-N 2.82Å; A161-T165 WeakPolarHBondContact O-CB 3.27Å; A161-T165 PolarHBondContact O-N 3.08Å; A161-T165 PolarHBondContact O-OG1 3.22Å; A161-K231 WeakPolarHBondContact CB-O 3.48Å
162R92.5Very high83.5Confident65 Ų6561.6 Ų61.625%0.24531%0.313CS..Hα-helixtrans-61-50.1174.2-69.4169.1-158.7-122.88.8111.2W14 N20 E158 E160 A164 T165 L166W14-R162 HydrophobicContact CD2-CG 4.02Å; W14-R162 HydrophobicContact CE3-CB 4.49Å; W14-R162 HydrophobicContact CE3-CG 4.02Å; W14-R162 HydrophobicContact CH2-CB 4.12Å; W14-R162 HydrophobicContact CH2-CG 3.69Å; W14-R162 HydrophobicContact CZ2-CG 3.64Å; W14-R162 HydrophobicContact CZ3-CB 4.07Å; W14-R162 HydrophobicContact CZ3-CG 3.87Å; N20-R162 PolarHBondContact O-NH2 2.79Å; N20-R162 PolarHBondContact OD1-NH1 3.07Å; N20-R162 PolarHBondContact OD1-NH2 3Å; E158-R162 WeakPolarHBondContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CG 3.48Å; E158-R162 PolarHBondContact O-N 3.32Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NH2 2.71Å; E158-R162 PolarHBondContact OE2-NH2 2.86Å; E160-R162 VanDerWaalsContact C-N 3.34Å; E160-R162 PolarHBondContact O-N 2.95Å; R162-A164 PolarHBondContact O-N 2.82Å; R162-T165 WeakPolarHBondContact O-CB 3.39Å; R162-T165 PolarHBondContact O-N 3.26Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.26Å
163K91.7Very high85.8Confident140 Ų14056.8 Ų56.861%0.60929%0.291SS*.Hα-helixtrans-59.5-46.3176.5-76.2171.6179.2178.40112.8I159 E160 T165 L166 S167I159-K163 HydrophobicContact CG2-CD 4.22Å; I159-K163 WeakPolarHBondContact O-CB 3.31Å; I159-K163 VanDerWaalsContact O-CG 3.25Å; I159-K163 WeakPolarHBondContact O-CG 3.47Å; I159-K163 PolarHBondContact O-N 3.29Å; E160-K163 PolarHBondContact O-N 3.36Å; K163-T165 VanDerWaalsContact C-N 3.3Å; K163-T165 PolarHBondContact O-N 3.11Å; K163-L166 PolarHBondContact O-N 3.44Å; K163-S167 WeakPolarHBondContact O-CB 3.2Å; K163-S167 PolarHBondContact O-N 3.03Å
164A93.8Very high87.4Confident30 Ų3056.6 Ų56.625%0.24829%0.291CS..Hα-helixtrans-64.2-35.3178.600000112E160 R162 L168 V230E160-A164 VanDerWaalsContact O-CB 3.24Å; E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 3Å; R162-A164 PolarHBondContact O-N 2.82Å; A164-L168 WeakPolarHBondContact O-CB 3.3Å; A164-L168 PolarHBondContact O-N 2.97Å; A164-V230 HydrophobicContact CB-CB 4.47Å; A164-V230 HydrophobicContact CB-CG1 4.42Å; A164-V230 HydrophobicContact CB-CG2 4.03Å
165T95Very high88.9Confident0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-64.5-51.5174.6-59.20000111.6W14 F18 F31 L35 A161 R162 K163 S167 L168 L169W14-T165 HydrophobicContact CH2-CG2 4.02Å; W14-T165 HydrophobicContact CZ3-CG2 4.18Å; F18-T165 HydrophobicContact CE2-CG2 3.84Å; F18-T165 HydrophobicContact CZ-CG2 4.26Å; F31-T165 WeakPolarHBondContact CZ-OG1 3.33Å; L35-T165 HydrophobicContact CD1-CG2 3.83Å; A161-T165 WeakPolarHBondContact O-CB 3.27Å; A161-T165 PolarHBondContact O-N 3.08Å; A161-T165 PolarHBondContact O-OG1 3.22Å; R162-T165 WeakPolarHBondContact O-CB 3.39Å; R162-T165 PolarHBondContact O-N 3.26Å; K163-T165 VanDerWaalsContact C-N 3.3Å; K163-T165 PolarHBondContact O-N 3.11Å; T165-S167 VanDerWaalsContact C-N 3.28Å; T165-S167 PolarHBondContact O-N 2.91Å; T165-L168 PolarHBondContact O-N 2.78Å; T165-L169 HydrophobicContact CG2-CD1 4.07Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 2.93Å
166L94.3Very high90.3Very high41 Ų4147.3 Ų47.322%0.21524%0.24CC..Hα-helixtrans-63.9-35.5178.3-61.9174.1000111.6L60 E61 I63 R162 K163 K170L60-L166 HydrophobicContact CD2-CD2 4.15Å; L60-L166 HydrophobicContact CG-CD2 4.19Å; E61-L166 HydrophobicContact CB-CD1 4.06Å; E61-L166 HydrophobicContact CB-CD2 3.97Å; E61-L166 HydrophobicContact CG-CD1 4.22Å; E61-L166 HydrophobicContact CG-CD2 4.21Å; I63-L166 HydrophobicContact CD1-CB 4.34Å; I63-L166 HydrophobicContact CD1-CD2 3.68Å; I63-L166 HydrophobicContact CG1-CD2 4.5Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.26Å; K163-L166 PolarHBondContact O-N 3.44Å; L166-K170 WeakPolarHBondContact O-CB 3.29Å; L166-K170 WeakPolarHBondContact O-CG 3.27Å; L166-K170 PolarHBondContact O-N 3.44Å; L166-K170 VanDerWaalsContact O-N 3.09Å
167S93.3Very high91.2Very high59 Ų5949.7 Ų49.741%0.41325%0.252SS..Hα-helixtrans-66.5-42.4173.2-175.30000112.4K163 T165 N171K163-S167 WeakPolarHBondContact O-CB 3.2Å; K163-S167 PolarHBondContact O-N 3.03Å; T165-S167 VanDerWaalsContact C-N 3.28Å; T165-S167 PolarHBondContact O-N 2.91Å; S167-N171 VanDerWaalsContact O-CB 3.3Å; S167-N171 WeakPolarHBondContact O-CB 3.39Å; S167-N171 PolarHBondContact O-N 3.46Å; S167-N171 PolarHBondContact O-ND2 2.97Å
168L95.5Very high91.4Very high3 Ų351.4 Ų51.42%0.01625%0.253CS..Hα-helixtrans-61.8-46.6176.8172.560.2000111.2L35 A164 T165 N171 I172 L227 V230 M239L35-L168 HydrophobicContact CD1-CD2 4.45Å; A164-L168 WeakPolarHBondContact O-CB 3.3Å; A164-L168 PolarHBondContact O-N 2.97Å; T165-L168 PolarHBondContact O-N 2.78Å; L168-N171 PolarHBondContact O-N 3Å; L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.36Å; L168-I172 HydrophobicContact CG-CD1 4.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.44Å; L168-L227 HydrophobicContact CD1-CB 3.92Å; L168-V230 HydrophobicContact CB-CG2 4.43Å; L168-V230 HydrophobicContact CD2-CG2 4.04Å; L168-M239 HydrophobicContact CD1-CB 3.83Å; L168-M239 HydrophobicContact CD1-CG 4.43Å; L168-M239 HydrophobicContact CD1-SD 3.91Å
169L95Very high91.5Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-63.6-43.7-179.7-65.8169.7000111.8V38 Y42 L60 I63 L65 T165 N171 I172 Q173V38-L169 HydrophobicContact CG1-CD2 3.76Å; Y42-L169 HydrophobicContact CD1-CB 4.41Å; Y42-L169 HydrophobicContact CD1-CD2 4.03Å; Y42-L169 HydrophobicContact CE1-CB 4.14Å; Y42-L169 HydrophobicContact CE1-CD2 4.46Å; L60-L169 HydrophobicContact CD2-CD1 3.87Å; I63-L169 HydrophobicContact CD1-CB 4.49Å; L65-L169 HydrophobicContact CD2-CD1 4.19Å; T165-L169 HydrophobicContact CG2-CD1 4.07Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 2.93Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.26Å; L169-I172 HydrophobicContact CD2-CD1 4.41Å; L169-I172 PolarHBondContact O-N 2.76Å; L169-Q173 PolarHBondContact O-N 2.99Å; L169-Q173 VanDerWaalsContact O-N 3.13Å
170K93.4Very high91.4Very high114 Ų11445.9 Ų45.950%0.49623%0.229SC..Hα-helixtrans-62.4-38.3172.7-72.2-179.8177.7-170.70112.5I63 L166 I172 Q173 T174I63-K170 HydrophobicContact CD1-CD 4.5Å; I63-K170 HydrophobicContact CD1-CG 4.04Å; L166-K170 WeakPolarHBondContact O-CB 3.29Å; L166-K170 WeakPolarHBondContact O-CG 3.27Å; L166-K170 PolarHBondContact O-N 3.44Å; L166-K170 VanDerWaalsContact O-N 3.09Å; K170-I172 VanDerWaalsContact C-N 3.35Å; K170-I172 PolarHBondContact O-N 2.75Å; K170-Q173 PolarHBondContact O-N 2.75Å; K170-T174 WeakPolarHBondContact O-CB 3.42Å; K170-T174 PolarHBondContact O-N 3.01Å; K170-T174 PolarHBondContact O-OG1 3.04Å; K170-T174 VanDerWaalsContact O-OG1 3.13Å
171N92.8Very high91.2Very high38 Ų3848.6 Ų48.620%0.20324%0.239CC..Hα-helixtrans-69.3-29.7176.9-71.9-14.6000112.9S167 L168 L169 A175 L227 L269S167-N171 VanDerWaalsContact O-CB 3.3Å; S167-N171 WeakPolarHBondContact O-CB 3.39Å; S167-N171 PolarHBondContact O-N 3.46Å; S167-N171 PolarHBondContact O-ND2 2.97Å; L168-N171 PolarHBondContact O-N 3Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.26Å; N171-A175 VanDerWaalsContact O-CB 3.22Å; N171-A175 WeakPolarHBondContact O-CB 3.36Å; N171-A175 PolarHBondContact O-N 3.14Å; N171-L227 HydrophobicContact CB-CB 4.31Å; N171-L227 WeakPolarHBondContact CB-O 3.34Å; N171-L227 PolarHBondContact ND2-O 3.35Å; N171-L269 HydrophobicContact CB-CD2 3.87Å
172I94.3Very high91Very high5 Ų548.9 Ų48.93%0.02624%0.241CC..Hα-helixtrans-65.9-48.9170.5-66.7163000110.3A39 Y42 V43 L168 L169 K170 A175 G176 L227 M239A39-I172 HydrophobicContact CB-CD1 3.73Å; Y42-I172 HydrophobicContact CD1-CB 4.36Å; Y42-I172 HydrophobicContact CD1-CG2 4.19Å; V43-I172 HydrophobicContact CG2-CG2 3.84Å; L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.36Å; L168-I172 HydrophobicContact CG-CD1 4.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.44Å; L169-I172 HydrophobicContact CD2-CD1 4.41Å; L169-I172 PolarHBondContact O-N 2.76Å; K170-I172 VanDerWaalsContact C-N 3.35Å; K170-I172 PolarHBondContact O-N 2.75Å; I172-A175 PolarHBondContact O-N 2.79Å; I172-G176 PolarHBondContact O-N 3.32Å; I172-L227 HydrophobicContact CG1-CD1 3.74Å; I172-M239 HydrophobicContact CD1-CE 4.01Å; I172-M239 HydrophobicContact CD1-SD 3.61Å; I172-M239 HydrophobicContact CG1-CE 3.91Å; I172-M239 HydrophobicContact CG1-SD 3.79Å
173Q92.4Very high90.6Very high59 Ų5948.4 Ų48.428%0.27625%0.246SC..Hα-helixtrans-55.4-57.7175.1171.4173.35.800111.4F46 L169 K170 A175 G176 E177F46-Q173 HydrophobicContact CD2-CB 4.2Å; F46-Q173 HydrophobicContact CE1-CB 4.34Å; F46-Q173 HydrophobicContact CE1-CG 3.85Å; F46-Q173 HydrophobicContact CE2-CB 3.56Å; F46-Q173 HydrophobicContact CE2-CG 3.97Å; F46-Q173 HydrophobicContact CZ-CB 3.66Å; F46-Q173 HydrophobicContact CZ-CG 3.5Å; F46-Q173 VanDerWaalsContact CZ-CG 3.5Å; L169-Q173 PolarHBondContact O-N 2.99Å; L169-Q173 VanDerWaalsContact O-N 3.13Å; K170-Q173 PolarHBondContact O-N 2.75Å; Q173-A175 PolarHBondContact O-N 2.84Å; Q173-G176 PolarHBondContact O-N 3.34Å; Q173-E177 HydrophobicContact CG-CG 4.33Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.47Å; Q173-E177 PolarHBondContact NE2-OE1 2.67Å; Q173-E177 WeakPolarHBondContact O-CG 3.42Å; Q173-E177 PolarHBondContact O-N 3.23Å
174T90.9Very high90.1Very high32 Ų3245.5 Ų45.520%0.19624%0.243CC..Hα-helixtrans-61.6-27-178.9-61.40000113.1K170 R178 L269K170-T174 WeakPolarHBondContact O-CB 3.42Å; K170-T174 PolarHBondContact O-N 3.01Å; K170-T174 PolarHBondContact O-OG1 3.04Å; K170-T174 VanDerWaalsContact O-OG1 3.13Å; T174-R178 WeakPolarHBondContact O-CB 3.44Å; T174-R178 WeakPolarHBondContact O-CD 3.48Å; T174-R178 WeakPolarHBondContact O-CG 3.26Å; T174-R178 PolarHBondContact O-N 2.7Å; T174-L269 HydrophobicContact CG2-CD2 3.92Å
175A88.7Confident89.5Confident5 Ų550.8 Ų50.84%0.04126%0.263CS..Hα-helixtrans-72.7-47.9170.700000111.6N171 I172 Q173 E177 R178 L179 L227 I241N171-A175 VanDerWaalsContact O-CB 3.22Å; N171-A175 WeakPolarHBondContact O-CB 3.36Å; N171-A175 PolarHBondContact O-N 3.14Å; I172-A175 PolarHBondContact O-N 2.79Å; Q173-A175 PolarHBondContact O-N 2.84Å; A175-E177 VanDerWaalsContact C-N 3.31Å; A175-E177 PolarHBondContact O-N 2.98Å; A175-R178 PolarHBondContact O-N 3.12Å; A175-R178 VanDerWaalsContact O-N 3.11Å; A175-L179 HydrophobicContact CB-CD1 4.4Å; A175-L179 WeakPolarHBondContact O-CB 3.24Å; A175-L179 WeakPolarHBondContact O-CD1 3.43Å; A175-L179 WeakPolarHBondContact O-CG 3.21Å; A175-L179 PolarHBondContact O-N 2.57Å; A175-L227 HydrophobicContact CB-CD2 3.87Å; A175-I241 HydrophobicContact CB-CD1 3.61Å
176G88.6Confident89.1Confident9 Ų950.9 Ų50.99%0.09326%0.263CS..Hα-helixtrans-58.9-39.3177.500000113.5I172 Q173 R178I172-G176 PolarHBondContact O-N 3.32Å; Q173-G176 PolarHBondContact O-N 3.34Å; G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.48Å
177E87.3Confident88.8Confident112 Ų11250.3 Ų50.352%0.52326%0.26SS..Hα-helixtrans-67.5-25.8175.5-68.8166.9169.400114Q173 A175Q173-E177 HydrophobicContact CG-CG 4.33Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.47Å; Q173-E177 PolarHBondContact NE2-OE1 2.67Å; Q173-E177 WeakPolarHBondContact O-CG 3.42Å; Q173-E177 PolarHBondContact O-N 3.23Å; A175-E177 VanDerWaalsContact C-N 3.31Å; A175-E177 PolarHBondContact O-N 2.98Å
178R86.4Confident88.7Confident76 Ų7647.5 Ų47.529%0.28724%0.24SC..Hα-helixtrans-103.1-7.4-177.8-69.1176.1178.3170.8-0.7114.1T174 A175 G176 S249 L272 N273T174-R178 WeakPolarHBondContact O-CB 3.44Å; T174-R178 WeakPolarHBondContact O-CD 3.48Å; T174-R178 WeakPolarHBondContact O-CG 3.26Å; T174-R178 PolarHBondContact O-N 2.7Å; A175-R178 PolarHBondContact O-N 3.12Å; A175-R178 VanDerWaalsContact O-N 3.11Å; G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.48Å; R178-S249 PolarHBondContact O-N 2.82Å; R178-S249 PolarHBondContact O-OG 3Å; R178-S249 VanDerWaalsContact O-OG 3.04Å; R178-L272 VanDerWaalsContact NH1-CB 3.34Å; R178-N273 PolarHBondContact NH1-OD1 3.43Å; R178-N273 PolarHBondContact NH2-OD1 3.24Å
179L86.6Confident88.5Confident9 Ų947.4 Ų47.45%0.04724%0.239CC..BIsolated β-bridgetrans-95.1120.7174.1-70.2166.3000108.3R47 A175 I241 T243 L247 L248R47-L179 PolarHBondContact NH1-O 3.28Å; A175-L179 HydrophobicContact CB-CD1 4.4Å; A175-L179 WeakPolarHBondContact O-CB 3.24Å; A175-L179 WeakPolarHBondContact O-CD1 3.43Å; A175-L179 WeakPolarHBondContact O-CG 3.21Å; A175-L179 PolarHBondContact O-N 2.57Å; L179-I241 HydrophobicContact CD1-CD1 3.8Å; L179-T243 HydrophobicContact CD2-CG2 3.75Å; L179-L247 CarbonylContact C-O 3.53Å; L179-L247 WeakPolarHBondContact CA-O 3.31Å; L179-L248 HydrophobicContact CD2-CD2 4.06Å
180S86Confident88.4Confident42 Ų4247.4 Ų47.429%0.29424%0.24SC..PPolyproline II helixtrans-53.6161.317865.20000112.6R47 L182 L247R47-S180 PolarHBondContact NH1-O 2.8Å; R47-S180 VanDerWaalsContact NH1-O 3.14Å; R47-S180 PolarHBondContact NH2-O 2.71Å; S180-L182 PolarHBondContact O-N 3.19Å; S180-L247 WeakPolarHBondContact CB-O 3.46Å; S180-L247 PolarHBondContact N-O 3.04Å; S180-L247 VanDerWaalsContact OG-CA 3.25Å; S180-L247 WeakPolarHBondContact OG-CA 3.47Å; S180-L247 WeakPolarHBondContact OG-CD2 3.34Å; S180-L247 PolarHBondContact OG-O 2.99Å
181K85.7Confident88.2Confident180 Ų18043 Ų4378%0.78322%0.22SC*.PPolyproline II helixtrans-57.2129.3178.9-66.3-165174.3-160.50110.2
182L87.5Confident88.2Confident8 Ų841.2 Ų41.24%0.04221%0.211CC..PPolyproline II helixtrans-62.8164.3167.5-66.6166.6000110.8R47 I49 L103 I121 E122 S180 L186 R508R47-L182 HydrophobicContact CB-CD1 4.01Å; I49-L182 HydrophobicContact CD1-CD1 3.67Å; L103-L182 HydrophobicContact CD1-CD1 3.7Å; L103-L182 HydrophobicContact CD1-CD2 4.46Å; I121-L182 HydrophobicContact CG2-CD2 4.3Å; E122-L182 HydrophobicContact CB-CD2 4.39Å; S180-L182 PolarHBondContact O-N 3.19Å; L182-L186 HydrophobicContact CB-CD1 3.77Å; L182-L186 HydrophobicContact CD1-CD1 3.9Å; L182-L186 HydrophobicContact CG-CD1 4.29Å; L182-R508 PolarHBondContact O-NH1 3.18Å
183P84.5Confident88Confident55 Ų5543.9 Ų43.936%0.35722%0.223SC..PPolyproline II helixtrans-50.2161.5164.5-28.436000114.2I121 L186 R508I121-P183 HydrophobicContact CD1-CG 4.2Å; P183-L186 HydrophobicContact CB-CD2 4.13Å; P183-L186 HydrophobicContact CB-CG 4.37Å; P183-L186 HydrophobicContact CG-CD2 4.17Å; P183-R508 PolarHBondContact O-NH1 3.01Å
184S79.3Confident87.9Confident79 Ų7941.1 Ų41.155%0.55221%0.21SC*.SBendtrans-73.8-37.4175.747.80000112.9R508S184-R508 PolarHBondContact O-N 3.14Å
185E82Confident87.8Confident141 Ų14141 Ų4166%0.65921%0.207SC*.EExtended strand (participates in β ladder)trans-109.5121.2178.7-66.9-178.4-160.400109.9
186L87.1Confident87.5Confident2 Ų243.4 Ų43.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-140.9154.7-177.4-74.2175.8000111.6Y104 I121 L182 P183 V506Y104-L186 WeakPolarHBondContact O-CA 3.48Å; Y104-L186 WeakPolarHBondContact O-CD2 3.39Å; I121-L186 HydrophobicContact CD1-CD2 3.81Å; L182-L186 HydrophobicContact CB-CD1 3.77Å; L182-L186 HydrophobicContact CD1-CD1 3.9Å; L182-L186 HydrophobicContact CG-CD1 4.29Å; P183-L186 HydrophobicContact CB-CD2 4.13Å; P183-L186 HydrophobicContact CB-CG 4.37Å; P183-L186 HydrophobicContact CG-CD2 4.17Å; L186-V506 PolarHBondContact N-O 2.75Å; L186-V506 VanDerWaalsContact N-O 3.13Å; L186-V506 PolarHBondContact O-N 2.91Å
187M88Confident87.3Confident29 Ų2949.4 Ų49.414%0.14324%0.244CC..EExtended strand (participates in β ladder)trans-106.7134.4163.1-61-60.8-64.600109L103 Y104 A106 P503 I504 S505L103-M187 WeakPolarHBondContact CA-O 3.31Å; Y104-M187 HydrophobicContact CD1-CB 3.78Å; Y104-M187 WeakPolarHBondContact CD1-O 3.16Å; Y104-M187 HydrophobicContact CD2-CB 3.89Å; Y104-M187 HydrophobicContact CD2-CG 4.29Å; Y104-M187 HydrophobicContact CE1-CB 3.37Å; Y104-M187 HydrophobicContact CE1-CG 4.45Å; Y104-M187 HydrophobicContact CE2-CB 3.5Å; Y104-M187 HydrophobicContact CE2-CG 3.74Å; Y104-M187 HydrophobicContact CG-CB 4.02Å; Y104-M187 PolarHBondContact N-O 3.27Å; Y104-M187 PolarHBondContact O-N 2.96Å; A106-M187 HydrophobicContact CB-CG 3.73Å; A106-M187 HydrophobicContact CB-SD 4.05Å; M187-P503 HydrophobicContact CE-CB 3.75Å; M187-I504 CarbonylContact C-O 3.52Å; M187-I504 WeakPolarHBondContact CA-O 3.24Å; M187-S505 VanDerWaalsContact SD-CA 3.51Å
188I91.8Very high87.3Confident0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-110.5136.2169.7-172.6171.3000110L44 I49 I80 W83 I101 A102 L103 P503 I504 V506L44-I188 HydrophobicContact CD2-CD1 3.66Å; I49-I188 HydrophobicContact CG2-CD1 4.41Å; I80-I188 HydrophobicContact CD1-CD1 4.1Å; I80-I188 HydrophobicContact CD1-CG2 4.28Å; W83-I188 HydrophobicContact CZ3-CG1 4.48Å; I101-I188 HydrophobicContact CG2-CD1 3.73Å; I101-I188 HydrophobicContact CG2-CG1 3.85Å; A102-I188 WeakPolarHBondContact O-CA 3.2Å; L103-I188 HydrophobicContact CD2-CB 3.77Å; L103-I188 HydrophobicContact CD2-CD1 3.9Å; L103-I188 HydrophobicContact CD2-CG1 3.7Å; I188-P503 WeakPolarHBondContact O-CA 3.33Å; I188-I504 HydrophobicContact CG2-CB 3.74Å; I188-I504 HydrophobicContact CG2-CD1 4.34Å; I188-I504 HydrophobicContact CG2-CG1 4.49Å; I188-I504 HydrophobicContact CG2-CG2 4.39Å; I188-I504 PolarHBondContact N-O 2.94Å; I188-I504 PolarHBondContact O-N 3.38Å; I188-V506 HydrophobicContact CB-CG2 4.48Å; I188-V506 HydrophobicContact CG2-CG2 3.68Å
189T90.5Very high87.3Confident0 Ų044.9 Ų44.90%023%0.233CC..EExtended strand (participates in β ladder)trans-136.2163.2175.3-175.90000109.9I101 A102 Y104 F216 N501I101-T189 WeakPolarHBondContact CA-O 3.24Å; A102-T189 HydrophobicContact CB-CG2 4.01Å; A102-T189 PolarHBondContact N-O 2.8Å; A102-T189 PolarHBondContact O-N 2.66Å; Y104-T189 HydrophobicContact CD1-CG2 4.21Å; Y104-T189 HydrophobicContact CE1-CG2 3.83Å; T189-F216 HydrophobicContact CG2-CE1 4.02Å; T189-F216 HydrophobicContact CG2-CZ 3.77Å; T189-N501 PolarHBondContact OG1-OD1 3.44Å
190M92.7Very high87.5Confident1 Ų147.4 Ų47.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-131.7128.7168.4-163.9-166.6-67.900110.1W83 C87 A99 T100 I101 L192 F208 N501W83-M190 HydrophobicContact CB-CE 4.21Å; W83-M190 HydrophobicContact CE3-CB 3.95Å; W83-M190 HydrophobicContact CE3-CE 4.29Å; W83-M190 HydrophobicContact CZ3-CB 4.21Å; C87-M190 VanDerWaalsContact SG-SD 3.63Å; A99-M190 HydrophobicContact CB-SD 4.2Å; T100-M190 CarbonylContact O-C 3.56Å; T100-M190 VanDerWaalsContact O-CA 3.3Å; T100-M190 WeakPolarHBondContact O-CA 3.09Å; I101-M190 HydrophobicContact CD1-CE 3.98Å; I101-M190 HydrophobicContact CG1-CB 4.47Å; I101-M190 HydrophobicContact CG1-CE 3.64Å; I101-M190 HydrophobicContact CG1-CG 3.98Å; I101-M190 HydrophobicContact CG1-SD 4.48Å; M190-L192 HydrophobicContact CG-CD2 4.24Å; M190-L192 HydrophobicContact SD-CD2 3.86Å; M190-F208 HydrophobicContact CB-CE1 4.16Å; M190-F208 HydrophobicContact CB-CZ 4.49Å; M190-F208 HydrophobicContact CG-CE1 4.47Å; M190-F208 HydrophobicContact SD-CE1 4.37Å; M190-F208 HydrophobicContact SD-CZ 3.93Å; M190-N501 WeakPolarHBondContact CA-ND2 3.2Å; M190-N501 WeakPolarHBondContact CB-ND2 3.37Å; M190-N501 PolarHBondContact N-ND2 2.87Å; M190-N501 PolarHBondContact N-OD1 2.85Å; M190-N501 PolarHBondContact O-N 3.3Å; M190-N501 PolarHBondContact O-ND2 3.39Å
191K89.7Confident87.4Confident21 Ų2150 Ų509%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-105.8130.4173.3-175.8174.2-177.4178.70109.7T100 V214 F216 D498 M499T100-K191 PolarHBondContact N-O 2.97Å; T100-K191 PolarHBondContact O-N 2.76Å; K191-V214 HydrophobicContact CD-CG1 4.31Å; K191-V214 PolarHBondContact NZ-O 3.45Å; K191-F216 HydrophobicContact CB-CE1 4.45Å; K191-F216 HydrophobicContact CB-CE2 3.53Å; K191-F216 HydrophobicContact CB-CZ 3.5Å; K191-F216 HydrophobicContact CD-CD2 4.38Å; K191-F216 HydrophobicContact CD-CE2 4.15Å; K191-F216 HydrophobicContact CD-CZ 4.24Å; K191-F216 HydrophobicContact CG-CE2 4.45Å; K191-F216 HydrophobicContact CG-CZ 4.46Å; K191-D498 WeakPolarHBondContact CE-OD2 3.35Å; K191-D498 IonicContact NZ-OD2 2.66Å; K191-D498 PolarHBondContact NZ-OD2 2.78Å; K191-M499 CarbonylContact C-O 3.58Å; K191-M499 VanDerWaalsContact CA-O 3.25Å; K191-M499 WeakPolarHBondContact CA-O 3.33Å; K191-M499 WeakPolarHBondContact CG-O 3.35Å
192L92.9Very high87.6Confident0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-104.7147.9172.8-50.4-173.4000109.9C87 L96 S98 A99 M190 Y194 P205 F208 M499C87-L192 VanDerWaalsContact SG-CD2 3.56Å; L96-L192 HydrophobicContact CD1-CB 3.99Å; L96-L192 HydrophobicContact CD1-CD1 4.25Å; L96-L192 HydrophobicContact CD1-CD2 4.07Å; L96-L192 HydrophobicContact CD1-CG 4.32Å; S98-L192 WeakPolarHBondContact O-CA 3.22Å; A99-L192 HydrophobicContact CB-CD2 3.62Å; M190-L192 HydrophobicContact CG-CD2 4.24Å; M190-L192 HydrophobicContact SD-CD2 3.86Å; L192-Y194 HydrophobicContact CB-CE1 4.21Å; L192-Y194 HydrophobicContact CD1-CE1 4.38Å; L192-P205 HydrophobicContact CD1-CG 3.88Å; L192-F208 HydrophobicContact CD1-CD1 3.86Å; L192-F208 HydrophobicContact CD1-CD2 3.76Å; L192-F208 HydrophobicContact CD1-CE1 3.78Å; L192-F208 HydrophobicContact CD1-CE2 3.68Å; L192-F208 HydrophobicContact CD1-CG 3.86Å; L192-F208 HydrophobicContact CD1-CZ 3.68Å; L192-F208 HydrophobicContact CD2-CE1 3.89Å; L192-F208 HydrophobicContact CD2-CZ 3.88Å; L192-F208 HydrophobicContact CG-CD1 3.81Å; L192-F208 HydrophobicContact CG-CE1 3.53Å; L192-F208 HydrophobicContact CG-CE2 4.33Å; L192-F208 HydrophobicContact CG-CG 4.32Å; L192-F208 HydrophobicContact CG-CZ 3.82Å; L192-M499 HydrophobicContact CB-CB 4.38Å; L192-M499 PolarHBondContact N-O 3.05Å; L192-M499 PolarHBondContact O-N 3.06Å
193Q88.7Confident87.7Confident61 Ų6147.2 Ų47.229%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-131.1146.6168.3-36.4-170-90.900108.6K97 S98 D498K97-Q193 WeakPolarHBondContact CA-O 3.31Å; K97-Q193 WeakPolarHBondContact CB-O 3.23Å; K97-Q193 PolarHBondContact N-O 2.78Å; S98-Q193 PolarHBondContact N-O 3.21Å; S98-Q193 VanDerWaalsContact N-O 3.1Å; S98-Q193 PolarHBondContact O-N 2.7Å; S98-Q193 WeakPolarHBondContact OG-CB 3.18Å; S98-Q193 WeakPolarHBondContact OG-CG 3.25Å; S98-Q193 PolarHBondContact OG-OE1 2.92Å; Q193-D498 VanDerWaalsContact CG-OD1 3.29Å; Q193-D498 WeakPolarHBondContact CG-OD1 3.22Å; Q193-D498 PolarHBondContact NE2-OD1 3.06Å
194Y90.8Very high87.9Confident2 Ų248.4 Ų48.41%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-114.2172.1-174.6-51.9-68.5000113.6A90 F95 L96 K97 L192 D196 T199 Y203 P205 M497 M499A90-Y194 HydrophobicContact CB-CE1 4.08Å; F95-Y194 HydrophobicContact CB-CD1 4.18Å; F95-Y194 CarbonylContact O-C 3.58Å; F95-Y194 WeakPolarHBondContact O-CA 3.33Å; F95-Y194 WeakPolarHBondContact O-CB 3.17Å; L96-Y194 HydrophobicContact CD1-CD1 4.41Å; L96-Y194 HydrophobicContact CD1-CE1 4.19Å; K97-Y194 WeakPolarHBondContact CD-O 3.36Å; L192-Y194 HydrophobicContact CB-CE1 4.21Å; L192-Y194 HydrophobicContact CD1-CE1 4.38Å; Y194-D196 PolarHBondContact O-N 3.28Å; Y194-T199 WeakPolarHBondContact CB-OG1 3.36Å; Y194-T199 HydrophobicContact CD1-CG2 4.45Å; Y194-T199 HydrophobicContact CD2-CG2 4.23Å; Y194-T199 HydrophobicContact CG-CG2 3.94Å; Y194-Y203 HydrophobicContact CE1-CD1 4.44Å; Y194-Y203 HydrophobicContact CE1-CE1 4.01Å; Y194-P205 VanDerWaalsContact OH-CD 3.23Å; Y194-P205 WeakPolarHBondContact OH-CD 3.47Å; Y194-P205 WeakPolarHBondContact OH-CG 3.26Å; Y194-M497 HydrophobicContact CD2-CB 4.01Å; Y194-M497 WeakPolarHBondContact CD2-O 3.18Å; Y194-M497 PolarHBondContact N-O 3.42Å; Y194-M499 HydrophobicContact CE2-CB 3.96Å; Y194-M499 HydrophobicContact CE2-CG 3.7Å; Y194-M499 HydrophobicContact CE2-SD 3.69Å; Y194-M499 PolarHBondContact OH-SD 3.04Å
195Y88.5Confident88.4Confident30 Ų3044.8 Ų44.812%0.11824%0.238CC..  trans-83.3101.7163.8-76.7-85.4000109.4F95 K97 L128 Y130 T149 E197 V198 T199F95-Y195 PolarHBondContact O-N 3.18Å; K97-Y195 HydrophobicContact CB-CD2 3.65Å; K97-Y195 HydrophobicContact CB-CE2 3.69Å; K97-Y195 HydrophobicContact CB-CG 4.18Å; K97-Y195 HydrophobicContact CD-CD1 4.35Å; K97-Y195 HydrophobicContact CD-CE1 4.45Å; K97-Y195 HydrophobicContact CD-CG 4.46Å; K97-Y195 HydrophobicContact CG-CD1 4.49Å; K97-Y195 HydrophobicContact CG-CD2 4.18Å; K97-Y195 HydrophobicContact CG-CE1 4.27Å; K97-Y195 HydrophobicContact CG-CE2 3.93Å; K97-Y195 HydrophobicContact CG-CG 4.46Å; L128-Y195 PolarHBondContact O-OH 3.12Å; Y130-Y195 HydrophobicContact CD2-CD2 4.31Å; Y130-Y195 AromaticContact CD2-CE2 3.85Å; Y130-Y195 HydrophobicContact CD2-CE2 3.85Å; Y130-Y195 HydrophobicContact CE2-CD2 4.11Å; Y130-Y195 AromaticContact CE2-CE2 3.78Å; Y130-Y195 HydrophobicContact CE2-CE2 3.78Å; T149-Y195 HydrophobicContact CG2-CD1 4.1Å; T149-Y195 HydrophobicContact CG2-CE1 4.42Å; Y195-E197 PolarHBondContact O-N 3.06Å; Y195-V198 WeakPolarHBondContact O-CG2 3.24Å; Y195-V198 PolarHBondContact O-N 3.5Å; Y195-V198 VanDerWaalsContact O-N 3.09Å; Y195-T199 WeakPolarHBondContact O-CB 3.19Å; Y195-T199 PolarHBondContact O-N 3.17Å; Y195-T199 VanDerWaalsContact O-N 3.12Å; Y195-T199 PolarHBondContact O-OG1 3.34Å
196D82.6Confident88.7Confident54 Ų5440.6 Ų40.629%0.28922%0.223SC..THydrogen-bonded Turntrans-57.6-20.2-176.4-50.1-54.2000113.8Y194 K496 M497Y194-D196 PolarHBondContact O-N 3.28Å; D196-K496 WeakPolarHBondContact OD1-CA 3.12Å; D196-M497 PolarHBondContact OD1-N 3Å
197E84.1Confident88.6Confident135 Ų13541.6 Ų41.663%0.63123%0.234SC*.THydrogen-bonded Turntrans-78.8-21.8179.2-68.6178.2-132.400114.5T149 Y195T149-E197 WeakPolarHBondContact CB-OE1 3.3Å; T149-E197 VanDerWaalsContact CG2-CD 3.44Å; T149-E197 HydrophobicContact CG2-CG 4.44Å; T149-E197 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E197 PolarHBondContact OG1-OE1 3.29Å; T149-E197 PolarHBondContact OG1-OE2 3.36Å; Y195-E197 PolarHBondContact O-N 3.06Å
198V87.9Confident88.6Confident84 Ų8440.7 Ų40.751%0.50923%0.229SC..THydrogen-bonded Turntrans-121.4-16.6-175.6-64.30000113.9F95 Y195F95-V198 HydrophobicContact CD1-CB 4.48Å; F95-V198 HydrophobicContact CD1-CG2 4.01Å; F95-V198 WeakPolarHBondContact CE1-O 3.41Å; Y195-V198 WeakPolarHBondContact O-CG2 3.24Å; Y195-V198 PolarHBondContact O-N 3.5Å; Y195-V198 VanDerWaalsContact O-N 3.09Å
199T87.3Confident88.2Confident10 Ų1046.9 Ų46.96%0.06126%0.256CS..SBendtrans-92.6121.6-171.1-49.90000111F95 Y194 Y195 Y203F95-T199 HydrophobicContact CB-CG2 4.1Å; F95-T199 WeakPolarHBondContact CB-OG1 3.45Å; F95-T199 HydrophobicContact CD2-CG2 3.91Å; F95-T199 HydrophobicContact CE2-CG2 4.47Å; F95-T199 HydrophobicContact CG-CG2 3.97Å; Y194-T199 WeakPolarHBondContact CB-OG1 3.36Å; Y194-T199 HydrophobicContact CD1-CG2 4.45Å; Y194-T199 HydrophobicContact CD2-CG2 4.23Å; Y194-T199 HydrophobicContact CG-CG2 3.94Å; Y195-T199 WeakPolarHBondContact O-CB 3.19Å; Y195-T199 PolarHBondContact O-N 3.17Å; Y195-T199 VanDerWaalsContact O-N 3.12Å; Y195-T199 PolarHBondContact O-OG1 3.34Å; T199-Y203 HydrophobicContact CG2-CD1 3.85Å; T199-Y203 HydrophobicContact CG2-CG 4.3Å
200P90.6Very high87.8Confident62 Ų6253 Ų5340%0.40328%0.279SS..  trans-65.9142.2177.2-21.533.3000112.8F95 S202 Y203F95-P200 VanDerWaalsContact CZ-CD 3.41Å; F95-P200 HydrophobicContact CZ-CG 4.23Å; P200-S202 PolarHBondContact O-N 3.14Å; P200-Y203 WeakPolarHBondContact O-CB 3.38Å; P200-Y203 PolarHBondContact O-N 3.39Å
201E84Confident86.9Confident97 Ų9753.4 Ų53.445%0.45328%0.283SS..THydrogen-bonded Turntrans-62.4-17.2179.2-75.4177173.300115R210 R494 M497E201-R210 PolarHBondContact O-NH1 3.39Å; E201-R494 WeakPolarHBondContact OE1-CD 3.35Å; E201-R494 IonicContact OE1-CZ 2.7Å; E201-R494 IonicContact OE1-NE 3.27Å; E201-R494 IonicContact OE1-NH1 3.66Å; E201-R494 PolarHBondContact OE1-NH1 3.35Å; E201-R494 IonicContact OE2-NH1 3.69Å; E201-R494 PolarHBondContact OE2-NH1 3.23Å; E201-M497 HydrophobicContact CB-SD 4.45Å; E201-M497 HydrophobicContact CG-SD 4.06Å
202S88.7Confident85.9Confident107 Ų10756.1 Ų56.175%0.74830%0.298SS*.THydrogen-bonded Turntrans-91.2-4.4174.654.60000114.2P200 V204P200-S202 PolarHBondContact O-N 3.14Å; S202-V204 PolarHBondContact O-N 3.21Å
203Y90Very high84.8Confident21 Ų2159.5 Ų59.58%0.08232%0.316CS..  trans-72.8126.2-177.4177.7-106.8000111.8D89 A90 F95 Y194 T199 P200 P205 M499D89-Y203 VanDerWaalsContact OD2-CE2 3.25Å; D89-Y203 WeakPolarHBondContact OD2-CE2 3.13Å; D89-Y203 PolarHBondContact OD2-OH 3.31Å; A90-Y203 WeakPolarHBondContact CA-OH 3.08Å; A90-Y203 HydrophobicContact CB-CE1 4.19Å; A90-Y203 WeakPolarHBondContact CB-OH 3.3Å; A90-Y203 PolarHBondContact N-OH 3.3Å; A90-Y203 VanDerWaalsContact N-OH 3.12Å; F95-Y203 AromaticContact CD2-CD1 3.73Å; F95-Y203 HydrophobicContact CD2-CD1 3.73Å; F95-Y203 HydrophobicContact CD2-CD2 4.02Å; F95-Y203 AromaticContact CD2-CE1 3.75Å; F95-Y203 HydrophobicContact CD2-CE1 3.75Å; F95-Y203 HydrophobicContact CD2-CE2 4.04Å; F95-Y203 AromaticContact CD2-CG 3.86Å; F95-Y203 HydrophobicContact CD2-CG 3.86Å; F95-Y203 AromaticContact CD2-CZ 3.9Å; F95-Y203 HydrophobicContact CE2-CD1 4.26Å; F95-Y203 AromaticContact CE2-CD2 3.82Å; F95-Y203 HydrophobicContact CE2-CD2 3.82Å; F95-Y203 HydrophobicContact CE2-CE2 4.11Å; F95-Y203 AromaticContact CE2-CG 3.9Å; F95-Y203 HydrophobicContact CE2-CG 3.9Å; Y194-Y203 HydrophobicContact CE1-CD1 4.44Å; Y194-Y203 HydrophobicContact CE1-CE1 4.01Å; T199-Y203 HydrophobicContact CG2-CD1 3.85Å; T199-Y203 HydrophobicContact CG2-CG 4.3Å; P200-Y203 WeakPolarHBondContact O-CB 3.38Å; P200-Y203 PolarHBondContact O-N 3.39Å; Y203-P205 HydrophobicContact CE1-CB 4.29Å; Y203-P205 HydrophobicContact CE1-CG 4.06Å; Y203-M499 WeakPolarHBondContact O-CE 3.45Å
204V89.2Confident84Confident80 Ų8057.5 Ų57.549%0.48531%0.308SS..  trans-134.8116.7173.6-168.40000108.3S202 F208 M499S202-V204 PolarHBondContact O-N 3.21Å; V204-F208 VanDerWaalsContact CG1-O 3.31Å; V204-F208 WeakPolarHBondContact CG1-O 3.38Å; V204-M499 HydrophobicContact CB-CE 4.24Å; V204-M499 HydrophobicContact CG1-CE 4.19Å; V204-M499 HydrophobicContact CG1-SD 4.33Å; V204-M499 HydrophobicContact CG2-CE 3.95Å
205P89.8Confident83.2Confident3 Ų358.8 Ų58.82%0.01932%0.318CS..  trans-75.8153.6175.122.2-21.7000112.3G86 L192 Y194 Y203 G207 F208 M499G86-P205 WeakPolarHBondContact O-CB 3.48Å; L192-P205 HydrophobicContact CD1-CG 3.88Å; Y194-P205 VanDerWaalsContact OH-CD 3.23Å; Y194-P205 WeakPolarHBondContact OH-CD 3.47Å; Y194-P205 WeakPolarHBondContact OH-CG 3.26Å; Y203-P205 HydrophobicContact CE1-CB 4.29Å; Y203-P205 HydrophobicContact CE1-CG 4.06Å; P205-G207 PolarHBondContact O-N 2.88Å; P205-F208 HydrophobicContact CB-CD2 4.28Å; P205-F208 HydrophobicContact CG-CB 4.09Å; P205-F208 HydrophobicContact CG-CD2 3.92Å; P205-F208 HydrophobicContact CG-CG 4.24Å; P205-F208 PolarHBondContact O-N 3.35Å; P205-F208 VanDerWaalsContact O-N 3.17Å; P205-M499 VanDerWaalsContact CD-SD 3.54Å
206P87Confident82.8Confident54 Ų5459.5 Ų59.535%0.35132%0.321SS..THydrogen-bonded Turntrans-46.7129.1173.2-30.234.6000113.6Y82 G86 F208Y82-P206 HydrophobicContact CE2-CB 3.87Å; G86-P206 VanDerWaalsContact CA-O 3.24Å; G86-P206 WeakPolarHBondContact CA-O 3.42Å; P206-F208 VanDerWaalsContact O-CD2 3.3Å; P206-F208 WeakPolarHBondContact O-CD2 3.47Å; P206-F208 PolarHBondContact O-N 3.43Å
207G85.1Confident82.6Confident22 Ų2259.6 Ų59.623%0.22732%0.322CS..THydrogen-bonded Turntrans84.4-4.8178.300000116.8Y82 P205 N501Y82-G207 PolarHBondContact OH-N 3.46Å; P205-G207 PolarHBondContact O-N 2.88Å; G207-N501 VanDerWaalsContact O-CB 3.26Å; G207-N501 WeakPolarHBondContact O-CB 3.33Å
208F89.3Confident82.2Confident10 Ų1055.3 Ų55.34%0.04430%0.301CS..EExtended strand (participates in β ladder)trans-112.5165179.6-64.3-89.8000112.9W83 M190 L192 V204 P205 P206 N501W83-F208 HydrophobicContact CB-CE2 4.16Å; W83-F208 HydrophobicContact CB-CZ 3.86Å; W83-F208 HydrophobicContact CG-CZ 4.28Å; W83-F208 WeakPolarHBondContact O-CE2 3.42Å; M190-F208 HydrophobicContact CB-CE1 4.16Å; M190-F208 HydrophobicContact CB-CZ 4.49Å; M190-F208 HydrophobicContact CG-CE1 4.47Å; M190-F208 HydrophobicContact SD-CE1 4.37Å; M190-F208 HydrophobicContact SD-CZ 3.93Å; L192-F208 HydrophobicContact CD1-CD1 3.86Å; L192-F208 HydrophobicContact CD1-CD2 3.76Å; L192-F208 HydrophobicContact CD1-CE1 3.78Å; L192-F208 HydrophobicContact CD1-CE2 3.68Å; L192-F208 HydrophobicContact CD1-CG 3.86Å; L192-F208 HydrophobicContact CD1-CZ 3.68Å; L192-F208 HydrophobicContact CD2-CE1 3.89Å; L192-F208 HydrophobicContact CD2-CZ 3.88Å; L192-F208 HydrophobicContact CG-CD1 3.81Å; L192-F208 HydrophobicContact CG-CE1 3.53Å; L192-F208 HydrophobicContact CG-CE2 4.33Å; L192-F208 HydrophobicContact CG-CG 4.32Å; L192-F208 HydrophobicContact CG-CZ 3.82Å; V204-F208 VanDerWaalsContact CG1-O 3.31Å; V204-F208 WeakPolarHBondContact CG1-O 3.38Å; P205-F208 HydrophobicContact CB-CD2 4.28Å; P205-F208 HydrophobicContact CG-CB 4.09Å; P205-F208 HydrophobicContact CG-CD2 3.92Å; P205-F208 HydrophobicContact CG-CG 4.24Å; P205-F208 PolarHBondContact O-N 3.35Å; P205-F208 VanDerWaalsContact O-N 3.17Å; P206-F208 VanDerWaalsContact O-CD2 3.3Å; P206-F208 WeakPolarHBondContact O-CD2 3.47Å; P206-F208 PolarHBondContact O-N 3.43Å; F208-N501 HydrophobicContact CD1-CB 3.86Å; F208-N501 HydrophobicContact CE1-CB 4.01Å
209K83.8Confident81.1Confident131 Ų13156.2 Ų56.257%0.5730%0.3SS*.EExtended strand (participates in β ladder)trans-135.3159.3174.4-64.5178.9-178.6170.80109.3M499 A500K209-M499 WeakPolarHBondContact O-CA 3.48Å; K209-M499 WeakPolarHBondContact O-CB 3.36Å; K209-M499 WeakPolarHBondContact O-CG 3.5Å; K209-A500 PolarHBondContact N-O 3.07Å; K209-A500 PolarHBondContact O-N 3.04Å; K209-A500 VanDerWaalsContact O-O 3.08Å
210R81.2Confident80.1Confident128 Ų12858.7 Ų58.748%0.48331%0.311SS..EExtended strand (participates in β ladder)trans-63134.4174.7-170.6162.5-179.2145.1-0.8110.7E201 D212 M499E201-R210 PolarHBondContact O-NH1 3.39Å; R210-D212 WeakPolarHBondContact CG-OD1 3.37Å; R210-D212 IonicContact CZ-OD1 3.47Å; R210-D212 IonicContact CZ-OD2 3.24Å; R210-D212 VanDerWaalsContact NE-CG 3.32Å; R210-D212 IonicContact NE-OD1 2.87Å; R210-D212 PolarHBondContact NE-OD1 2.95Å; R210-D212 IonicContact NE-OD2 3.6Å; R210-D212 PolarHBondContact NE-OD2 3.39Å; R210-D212 IonicContact NH2-OD1 2.68Å; R210-D212 IonicContact NH2-OD2 2.75Å; R210-D212 PolarHBondContact NH2-OD2 3.47Å; R210-M499 HydrophobicContact CB-CE 4.07Å
211A73.5Confident79.2Confident10 Ų1061.6 Ų61.68%0.08332%0.323CS..  trans-143.138.7-165.800000113.4N213 V214 D498 A500A211-N213 PolarHBondContact O-N 3.04Å; A211-V214 HydrophobicContact CB-CB 4.19Å; A211-V214 HydrophobicContact CB-CG2 3.73Å; A211-V214 PolarHBondContact O-N 3.34Å; A211-V214 VanDerWaalsContact O-N 3.08Å; A211-D498 CarbonylContact C-O 3.32Å; A211-D498 PolarHBondContact N-O 3.02Å; A211-A500 HydrophobicContact CB-CB 3.51Å
212D69.5Low78.9Confident78 Ų7858.8 Ų58.842%0.41731%0.311SS..THydrogen-bonded Turntrans-52.3-24.6180-59.425.2000113.2R210R210-D212 WeakPolarHBondContact CG-OD1 3.37Å; R210-D212 IonicContact CZ-OD1 3.47Å; R210-D212 IonicContact CZ-OD2 3.24Å; R210-D212 VanDerWaalsContact NE-CG 3.32Å; R210-D212 IonicContact NE-OD1 2.87Å; R210-D212 PolarHBondContact NE-OD1 2.95Å; R210-D212 IonicContact NE-OD2 3.6Å; R210-D212 PolarHBondContact NE-OD2 3.39Å; R210-D212 IonicContact NH2-OD1 2.68Å; R210-D212 IonicContact NH2-OD2 2.75Å; R210-D212 PolarHBondContact NH2-OD2 3.47Å
213N68.7Low78.3Confident71 Ų7153.8 Ų53.838%0.3828%0.276SS..THydrogen-bonded Turntrans-108.222.8-177.9-61.33.2000114.4E114 F115 C116 A211E114-N213 VanDerWaalsContact O-CB 3.27Å; E114-N213 WeakPolarHBondContact O-CB 3.33Å; E114-N213 PolarHBondContact O-ND2 3.09Å; F115-N213 HydrophobicContact CD1-CB 3.73Å; F115-N213 HydrophobicContact CE1-CB 4.04Å; F115-N213 HydrophobicContact CG-CB 4.35Å; C116-N213 PolarHBondContact N-O 3.41Å; A211-N213 PolarHBondContact O-N 3.04Å
214V71.7Confident77.7Confident19 Ų1953.7 Ų53.712%0.11528%0.277CS..EExtended strand (participates in β ladder)trans-99.5115.9178.1171.50000112.1C116 Y118 K191 A211 F216 A500C116-V214 HydrophobicContact CB-CG2 4.15Å; C116-V214 WeakPolarHBondContact O-CA 3.42Å; Y118-V214 HydrophobicContact CD2-CG1 3.85Å; Y118-V214 HydrophobicContact CE2-CG1 3.75Å; Y118-V214 HydrophobicContact CE2-CG2 4.38Å; K191-V214 HydrophobicContact CD-CG1 4.31Å; K191-V214 PolarHBondContact NZ-O 3.45Å; A211-V214 HydrophobicContact CB-CB 4.19Å; A211-V214 HydrophobicContact CB-CG2 3.73Å; A211-V214 PolarHBondContact O-N 3.34Å; A211-V214 VanDerWaalsContact O-N 3.08Å; V214-F216 HydrophobicContact CG1-CD1 4.11Å; V214-F216 HydrophobicContact CG1-CE1 3.88Å; V214-A500 HydrophobicContact CG2-CB 4.29Å
215S74.5Confident77.3Confident29 Ų2950.1 Ų50.120%0.20326%0.255CS..EExtended strand (participates in β ladder)trans-102.6144.5170.649.10000111.4C116 E117 Y118C116-S215 PolarHBondContact O-N 2.89Å; C116-S215 VanDerWaalsContact O-N 3.13Å; E117-S215 WeakPolarHBondContact CA-OG 3.36Å; E117-S215 VanDerWaalsContact CD-OG 3.28Å; E117-S215 VanDerWaalsContact CG-OG 3.25Å; E117-S215 WeakPolarHBondContact CG-OG 3.47Å; E117-S215 WeakPolarHBondContact OE1-CB 3.46Å; E117-S215 PolarHBondContact OE1-OG 3.08Å; Y118-S215 PolarHBondContact N-O 3.11Å
216F80.1Confident77.1Confident44 Ų4455.9 Ų55.919%0.19328%0.276CS..EExtended strand (participates in β ladder)trans-116100.4173.6-79.5-2.8000107.2T100 A102 Y118 I120 T189 K191 V214T100-F216 HydrophobicContact CG2-CD2 4.23Å; T100-F216 HydrophobicContact CG2-CE2 4.01Å; A102-F216 HydrophobicContact CB-CD2 4.05Å; A102-F216 HydrophobicContact CB-CE1 4.49Å; A102-F216 HydrophobicContact CB-CE2 3.57Å; A102-F216 HydrophobicContact CB-CZ 3.83Å; Y118-F216 AromaticContact CD2-CD1 3.94Å; Y118-F216 HydrophobicContact CD2-CD1 3.94Å; Y118-F216 AromaticContact CD2-CE1 3.74Å; Y118-F216 HydrophobicContact CD2-CE1 3.74Å; Y118-F216 HydrophobicContact CE2-CE1 4.44Å; Y118-F216 HydrophobicContact CG-CD1 4.45Å; Y118-F216 HydrophobicContact CG-CE1 4.38Å; I120-F216 HydrophobicContact CD1-CD1 4.05Å; I120-F216 HydrophobicContact CD1-CE1 4.42Å; I120-F216 HydrophobicContact CD1-CG 4.24Å; I120-F216 HydrophobicContact CG1-CB 3.8Å; I120-F216 HydrophobicContact CG1-CD1 4.22Å; I120-F216 HydrophobicContact CG1-CD2 4.49Å; I120-F216 HydrophobicContact CG1-CG 3.95Å; T189-F216 HydrophobicContact CG2-CE1 4.02Å; T189-F216 HydrophobicContact CG2-CZ 3.77Å; K191-F216 HydrophobicContact CB-CE1 4.45Å; K191-F216 HydrophobicContact CB-CE2 3.53Å; K191-F216 HydrophobicContact CB-CZ 3.5Å; K191-F216 HydrophobicContact CD-CD2 4.38Å; K191-F216 HydrophobicContact CD-CE2 4.15Å; K191-F216 HydrophobicContact CD-CZ 4.24Å; K191-F216 HydrophobicContact CG-CE2 4.45Å; K191-F216 HydrophobicContact CG-CZ 4.46Å; V214-F216 HydrophobicContact CG1-CD1 4.11Å; V214-F216 HydrophobicContact CG1-CE1 3.88Å
217N79Confident77.2Confident56 Ų5653.4 Ų53.430%0.29926%0.26SS..EExtended strand (participates in β ladder)trans-102.1148.2-175.1-61.5-17.3000108.7E117 Y118 N119 I120E117-N217 PolarHBondContact OE1-ND2 3.38Å; E117-N217 PolarHBondContact OE2-ND2 3.3Å; Y118-N217 PolarHBondContact O-N 3.19Å; Y118-N217 VanDerWaalsContact O-O 3.13Å; N119-N217 CarbonylContact C-O 3.55Å; I120-N217 PolarHBondContact N-O 3.15Å
218F75.2Confident77.3Confident45 Ų4553.7 Ų53.720%0.19726%0.263CS..  trans-113.3129.5172.8-74.2-101.5000108.2I120 E220 N222 Q242I120-F218 HydrophobicContact CB-CD1 4.36Å; I120-F218 HydrophobicContact CB-CD2 4.45Å; I120-F218 HydrophobicContact CB-CE1 4.13Å; I120-F218 HydrophobicContact CB-CE2 4.22Å; I120-F218 HydrophobicContact CB-CZ 4.06Å; I120-F218 HydrophobicContact CG2-CD1 4.42Å; I120-F218 HydrophobicContact CG2-CE1 3.72Å; I120-F218 HydrophobicContact CG2-CE2 4.22Å; I120-F218 HydrophobicContact CG2-CZ 3.61Å; I120-F218 WeakPolarHBondContact O-CD1 2.96Å; F218-E220 VanDerWaalsContact C-N 3.27Å; F218-E220 PolarHBondContact O-N 3.3Å; F218-N222 HydrophobicContact CB-CB 4.2Å; F218-N222 HydrophobicContact CD1-CB 3.72Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.46Å; F218-N222 HydrophobicContact CE1-CB 4.21Å; F218-N222 WeakPolarHBondContact CE2-ND2 2.91Å; F218-N222 HydrophobicContact CG-CB 3.95Å; F218-N222 WeakPolarHBondContact CG-ND2 3.47Å; F218-Q242 HydrophobicContact CE1-CB 4.18Å; F218-Q242 HydrophobicContact CE2-CB 4.24Å; F218-Q242 HydrophobicContact CZ-CB 3.59Å
219E65.3Low77.4Confident103 Ų10356.5 Ų56.548%0.48128%0.278SS..SBendtrans-74.3-16.4-176.5-59.4-173.5113.900113.8K108 N119K108-E219 WeakPolarHBondContact CD-OE1 3.29Å; K108-E219 IonicContact NZ-OE1 2.96Å; K108-E219 PolarHBondContact NZ-OE1 2.99Å; K108-E219 IonicContact NZ-OE2 2.7Å; K108-E219 PolarHBondContact NZ-OE2 2.9Å; N119-E219 HydrophobicContact CB-CG 3.92Å
220E65Low77.9Confident62 Ų6250.3 Ų50.329%0.2925%0.251SS..SBendtrans-134.7166.8-172.7-60.7-175-172.400111F218 N222 R246F218-E220 VanDerWaalsContact C-N 3.27Å; F218-E220 PolarHBondContact O-N 3.3Å; E220-N222 PolarHBondContact O-N 3.19Å; E220-R246 VanDerWaalsContact CD-CZ 3.41Å; E220-R246 IonicContact OE1-CZ 2.99Å; E220-R246 IonicContact OE1-NE 3.42Å; E220-R246 PolarHBondContact OE1-NE 3.35Å; E220-R246 IonicContact OE1-NH1 3.34Å; E220-R246 PolarHBondContact OE1-NH1 2.77Å; E220-R246 IonicContact OE1-NH2 3.63Å; E220-R246 WeakPolarHBondContact OE2-CD 3.17Å; E220-R246 VanDerWaalsContact OE2-CG 3.29Å; E220-R246 WeakPolarHBondContact OE2-CG 3.19Å; E220-R246 IonicContact OE2-CZ 3.48Å; E220-R246 IonicContact OE2-NE 3.1Å; E220-R246 PolarHBondContact OE2-NE 3.36Å; E220-R246 VanDerWaalsContact OE2-NE 3.1Å; E220-R246 IonicContact OE2-NH1 3.03Å
221D71.7Confident78.4Confident123 Ų12347.7 Ų47.766%0.65824%0.244SC*.  trans-4898.4167-77.2-9.2000110.9R245D221-R245 WeakPolarHBondContact O-CB 3.01Å; D221-R245 PolarHBondContact O-N 2.91Å
222N77.9Confident79.2Confident39 Ų3947.2 Ų47.221%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-83159.7173.272.16.5000110.8F218 E220 T243F218-N222 HydrophobicContact CB-CB 4.2Å; F218-N222 HydrophobicContact CD1-CB 3.72Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.46Å; F218-N222 HydrophobicContact CE1-CB 4.21Å; F218-N222 WeakPolarHBondContact CE2-ND2 2.91Å; F218-N222 HydrophobicContact CG-CB 3.95Å; F218-N222 WeakPolarHBondContact CG-ND2 3.47Å; E220-N222 PolarHBondContact O-N 3.19Å; N222-T243 WeakPolarHBondContact CA-O 3.44Å
223I76.6Confident80.1Confident1 Ų144.8 Ų44.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-123.8144.9174.853.5163.5000109.5I225 Q242 T243 R245 L248 L267I223-I225 HydrophobicContact CD1-CD1 3.93Å; I223-I225 HydrophobicContact CD1-CG1 4.04Å; I223-I225 HydrophobicContact CG1-CG1 4.39Å; I223-Q242 WeakPolarHBondContact O-CA 3.47Å; I223-T243 HydrophobicContact CD1-CG2 4.1Å; I223-T243 HydrophobicContact CG1-CG2 3.82Å; I223-T243 WeakPolarHBondContact CG1-O 3.47Å; I223-T243 PolarHBondContact N-O 2.93Å; I223-T243 PolarHBondContact O-N 3.03Å; I223-R245 HydrophobicContact CG2-CB 4.34Å; I223-R245 HydrophobicContact CG2-CG 4.49Å; I223-L248 HydrophobicContact CD1-CD1 3.4Å; I223-L248 HydrophobicContact CD1-CD2 3.95Å; I223-L248 HydrophobicContact CD1-CG 3.59Å; I223-L267 HydrophobicContact CD1-CD1 4.32Å
224N77.3Confident81.1Confident20 Ų2043.8 Ų43.811%0.10722%0.223CC..EExtended strand (participates in β ladder)trans-104.1112178.5-165.3-40.7000109.9H240 I241 Q242 I264 H265 L267N224-H240 PolarHBondContact OD1-CD2 2.82Å; N224-I241 WeakPolarHBondContact CA-O 3.5Å; N224-Q242 HydrophobicContact CB-CG 4.44Å; N224-I264 HydrophobicContact CB-CG2 4.22Å; N224-H265 PolarHBondContact N-O 3.13Å; N224-L267 PolarHBondContact O-N 2.71Å
225I81.2Confident82.1Confident4 Ų443 Ų432%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-104.4110.3-177.6-49.3178.3000108.9I223 L227 H240 I241 T243 L248 L269I223-I225 HydrophobicContact CD1-CD1 3.93Å; I223-I225 HydrophobicContact CD1-CG1 4.04Å; I223-I225 HydrophobicContact CG1-CG1 4.39Å; I225-L227 HydrophobicContact CG2-CD2 3.97Å; I225-L227 PolarHBondContact O-N 2.89Å; I225-H240 CarbonylContact O-C 3.6Å; I225-H240 WeakPolarHBondContact O-CA 3.19Å; I225-H240 WeakPolarHBondContact O-CB 3.4Å; I225-I241 HydrophobicContact CB-CB 4.31Å; I225-I241 PolarHBondContact N-O 3.07Å; I225-I241 PolarHBondContact O-N 3.13Å; I225-T243 HydrophobicContact CD1-CG2 4.12Å; I225-L248 HydrophobicContact CD1-CD2 4.3Å; I225-L269 HydrophobicContact CG2-CD1 3.34Å
226R85.2Confident83Confident125 Ų12541.9 Ų41.947%0.47221%0.21SC..EExtended strand (participates in β ladder)trans-78115.9174.3-69.7-172.8176.2177.810.7110.2E266 L267R226-E266 WeakPolarHBondContact CD-OE1 3.41Å; R226-E266 HydrophobicContact CG-CG 4.32Å; R226-E266 IonicContact CZ-OE1 3.47Å; R226-E266 IonicContact CZ-OE2 3.43Å; R226-E266 IonicContact NE-OE1 2.71Å; R226-E266 PolarHBondContact NE-OE1 3.37Å; R226-E266 IonicContact NE-OE2 3.83Å; R226-E266 PolarHBondContact NE-OE2 2.92Å; R226-E266 IonicContact NH1-OE1 3.9Å; R226-E266 PolarHBondContact NH1-OE1 3.3Å; R226-E266 IonicContact NH2-OE1 2.78Å; R226-E266 PolarHBondContact NH2-OE1 2.77Å; R226-E266 IonicContact NH2-OE2 3.29Å; R226-E266 PolarHBondContact NH2-OE2 2.83Å; R226-L267 PolarHBondContact N-O 2.98Å
227L88.6Confident83.7Confident2 Ų240 Ų401%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-90-34.6179.8-58.4-171.2000113.1L168 N171 I172 A175 I225 M239 I241 L269L168-L227 HydrophobicContact CD1-CB 3.92Å; N171-L227 HydrophobicContact CB-CB 4.31Å; N171-L227 WeakPolarHBondContact CB-O 3.34Å; N171-L227 PolarHBondContact ND2-O 3.35Å; I172-L227 HydrophobicContact CG1-CD1 3.74Å; A175-L227 HydrophobicContact CB-CD2 3.87Å; I225-L227 HydrophobicContact CG2-CD2 3.97Å; I225-L227 PolarHBondContact O-N 2.89Å; L227-M239 HydrophobicContact CD1-CE 3.77Å; L227-M239 HydrophobicContact CD1-CG 4.19Å; L227-M239 HydrophobicContact CD1-SD 3.95Å; L227-M239 PolarHBondContact N-O 2.83Å; L227-I241 HydrophobicContact CD1-CD1 3.94Å; L227-I241 HydrophobicContact CD1-CG1 3.77Å; L227-I241 HydrophobicContact CD2-CD1 3.97Å; L227-I241 HydrophobicContact CD2-CG1 4.11Å; L227-I241 HydrophobicContact CG-CD1 4.28Å; L227-I241 HydrophobicContact CG-CG1 3.97Å; L227-L269 HydrophobicContact CD2-CD1 4.18Å
228G87.3Confident84.3Confident27 Ų2740.1 Ų40.128%0.27820%0.2SC..EExtended strand (participates in β ladder)trans172.1171.9179.300000115.2K238 M239G228-K238 WeakPolarHBondContact O-CA 3.47Å; G228-M239 PolarHBondContact N-O 2.76Å; G228-M239 PolarHBondContact O-N 2.99Å
229N91.4Very high85.2Confident70 Ų7038.1 Ų38.137%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-143114.1176.6173.230.7000107.9S236 I237 K238N229-S236 PolarHBondContact OD1-OG 3.41Å; N229-I237 WeakPolarHBondContact CA-O 3.44Å; N229-K238 HydrophobicContact CB-CG 3.92Å; N229-K238 WeakPolarHBondContact OD1-CE 3.2Å; N229-K238 WeakPolarHBondContact OD1-CG 3.4Å
230V94.5Very high86.2Confident0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-101.9131.9172.1-173.70000108.1F31 L35 A164 L168 S236 I237F31-V230 HydrophobicContact CE1-CG1 3.79Å; F31-V230 HydrophobicContact CZ-CG1 3.87Å; L35-V230 HydrophobicContact CD2-CB 3.93Å; L35-V230 HydrophobicContact CD2-CG1 4.06Å; L35-V230 HydrophobicContact CD2-CG2 3.82Å; A164-V230 HydrophobicContact CB-CB 4.47Å; A164-V230 HydrophobicContact CB-CG1 4.42Å; A164-V230 HydrophobicContact CB-CG2 4.03Å; L168-V230 HydrophobicContact CB-CG2 4.43Å; L168-V230 HydrophobicContact CD2-CG2 4.04Å; V230-S236 CarbonylContact O-C 3.6Å; V230-S236 VanDerWaalsContact O-CA 3.23Å; V230-S236 WeakPolarHBondContact O-CA 3.38Å; V230-S236 PolarHBondContact O-OG 2.86Å; V230-I237 HydrophobicContact CB-CG2 4.12Å; V230-I237 PolarHBondContact N-O 3.29Å; V230-I237 PolarHBondContact O-N 3.34Å
231K92Very high87.4Confident74 Ų7431 Ų3132%0.32216%0.158SC..EExtended strand (participates in β ladder)trans-114.3150.2171.3-68-169.2179.5-171.90109.7A161A161-K231 WeakPolarHBondContact CB-O 3.48Å
232T90.7Very high88Confident0 Ų027.3 Ų27.30%014%0.137CC..  trans-131.1179.716658.80000108.3L22 S28 F31 I153 F156 H234 H235L22-T232 HydrophobicContact CB-CG2 4.22Å; L22-T232 HydrophobicContact CD1-CG2 4.23Å; S28-T232 PolarHBondContact OG-OG1 2.79Å; F31-T232 HydrophobicContact CD1-CG2 3.51Å; F31-T232 HydrophobicContact CE1-CG2 3.56Å; I153-T232 WeakPolarHBondContact CG2-O 3.47Å; F156-T232 VanDerWaalsContact CD2-C 3.42Å; F156-T232 VanDerWaalsContact CD2-CA 3.47Å; T232-H234 PolarHBondContact O-N 3.21Å; T232-H235 PolarHBondContact N-O 3.15Å; T232-H235 PolarHBondContact OG1-N 3.42Å; T232-H235 VanDerWaalsContact OG1-N 3.12Å; T232-H235 PolarHBondContact OG1-O 3.32Å
233A87.8Confident88.3Confident27 Ų2725.4 Ų25.422%0.22313%0.127CC..SBendtrans-59.7-28.117900000114.3I153 F156I153-A233 WeakPolarHBondContact CG2-O 3.36Å; F156-A233 HydrophobicContact CB-CB 4.11Å; F156-A233 HydrophobicContact CD1-CB 3.72Å; F156-A233 VanDerWaalsContact CD2-N 3.31Å; F156-A233 HydrophobicContact CE1-CB 4.39Å; F156-A233 HydrophobicContact CG-CB 3.8Å
234H89.5Confident88.4Confident49 Ų4926 Ų2623%0.22713%0.131CC..SBendtrans-121.4-16-172.4-57.1-80.4000114.2G23 E25 G131 I153 T232G23-H234 PolarHBondContact O-CD2 3.47Å; G23-H234 PolarHBondContact O-NE2 3.42Å; E25-H234 WeakPolarHBondContact CA-CD2 3.28Å; E25-H234 HydrophobicContact CB-CB 4.32Å; E25-H234 HydrophobicContact CG-CB 4.12Å; E25-H234 PolarHBondContact N-CD2 3.11Å; E25-H234 VanDerWaalsContact N-CD2 3.29Å; E25-H234 PolarHBondContact N-NE2 3.21Å; G131-H234 WeakPolarHBondContact CA-O 3.41Å; G131-H234 PolarHBondContact N-O 2.99Å; I153-H234 VanDerWaalsContact CD1-C 3.41Å; T232-H234 PolarHBondContact O-N 3.21Å
235H92.7Very high88.1Confident4 Ų429.2 Ų29.22%0.01914%0.141CC..EExtended strand (participates in β ladder)trans-146.2154-172.8-59.2101.8000113.6S28 I32 H94 S129 Y130 T232S28-H235 PolarHBondContact OG-ND1 3.27Å; I32-H235 HydrophobicContact CD1-CB 4.12Å; I32-H235 HydrophobicContact CG1-CB 3.56Å; H94-H235 AromaticContact CE1-NE2 3.99Å; S129-H235 CarbonylContact O-C 3.58Å; S129-H235 WeakPolarHBondContact O-CA 3.37Å; Y130-H235 AromaticContact CD1-CD2 3.34Å; Y130-H235 WeakPolarHBondContact CD1-CD2 3.45Å; Y130-H235 AromaticContact CD1-NE2 3.5Å; Y130-H235 WeakPolarHBondContact CD1-NE2 3.47Å; Y130-H235 AromaticContact CE1-CD2 3.93Å; T232-H235 PolarHBondContact N-O 3.15Å; T232-H235 PolarHBondContact OG1-N 3.42Å; T232-H235 VanDerWaalsContact OG1-N 3.12Å; T232-H235 PolarHBondContact OG1-O 3.32Å
236S93.1Very high87.6Confident5 Ų538.4 Ų38.44%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-135142.6172.9176.90000111.5L128 S129 N229 V230L128-S236 CarbonylContact C-O 3.49Å; L128-S236 WeakPolarHBondContact CA-O 3.41Å; S129-S236 PolarHBondContact N-O 3.29Å; S129-S236 PolarHBondContact O-N 2.81Å; N229-S236 PolarHBondContact OD1-OG 3.41Å; V230-S236 CarbonylContact O-C 3.6Å; V230-S236 VanDerWaalsContact O-CA 3.23Å; V230-S236 WeakPolarHBondContact O-CA 3.38Å; V230-S236 PolarHBondContact O-OG 2.86Å
237I95.2Very high86.8Confident3 Ų333.6 Ų33.62%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-128.9127171.9-172.1169.5000110.4I32 L35 F36 F126 R127 L128 N229 V230I32-I237 HydrophobicContact CD1-CB 4.04Å; I32-I237 HydrophobicContact CD1-CG2 3.66Å; L35-I237 HydrophobicContact CD2-CG2 3.74Å; L35-I237 HydrophobicContact CG-CG2 4.39Å; F36-I237 HydrophobicContact CB-CD1 3.95Å; F36-I237 HydrophobicContact CD2-CD1 4.21Å; F126-I237 HydrophobicContact CD1-CD1 4.19Å; R127-I237 WeakPolarHBondContact O-CA 3.14Å; L128-I237 HydrophobicContact CG-CG1 4.49Å; N229-I237 WeakPolarHBondContact CA-O 3.44Å; V230-I237 HydrophobicContact CB-CG2 4.12Å; V230-I237 PolarHBondContact N-O 3.29Å; V230-I237 PolarHBondContact O-N 3.34Å
238K93Very high85.7Confident59 Ų5935.2 Ų35.226%0.25717%0.168SC..EExtended strand (participates in β ladder)trans-118.9127.3-177-68.4165.1-173.7162.60109.3F126 R127 G228 N229F126-K238 CarbonylContact C-O 3.5Å; F126-K238 WeakPolarHBondContact CA-O 3.43Å; R127-K238 HydrophobicContact CB-CB 4.35Å; R127-K238 PolarHBondContact N-O 3.42Å; R127-K238 PolarHBondContact O-N 3.33Å; G228-K238 WeakPolarHBondContact O-CA 3.47Å; N229-K238 HydrophobicContact CB-CG 3.92Å; N229-K238 WeakPolarHBondContact OD1-CE 3.2Å; N229-K238 WeakPolarHBondContact OD1-CG 3.4Å
239M93.8Very high84.2Confident4 Ų437.8 Ų37.82%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-118.9138.3-176.7-171-179.8176.500111.7A39 V43 Y124 F126 L168 I172 L227 G228A39-M239 HydrophobicContact CB-SD 4.33Å; V43-M239 HydrophobicContact CG2-CE 3.42Å; V43-M239 VanDerWaalsContact CG2-CE 3.42Å; Y124-M239 HydrophobicContact CD1-CE 3.92Å; F126-M239 HydrophobicContact CD1-CB 4.29Å; F126-M239 HydrophobicContact CD1-CG 3.97Å; F126-M239 HydrophobicContact CD1-SD 4.11Å; F126-M239 HydrophobicContact CE1-CB 4.47Å; F126-M239 HydrophobicContact CE1-CE 3.73Å; F126-M239 HydrophobicContact CE1-CG 3.81Å; F126-M239 HydrophobicContact CE1-SD 3.38Å; F126-M239 WeakPolarHBondContact CE1-SD 3.09Å; F126-M239 HydrophobicContact CE2-CE 4.31Å; F126-M239 HydrophobicContact CZ-CE 3.49Å; F126-M239 VanDerWaalsContact CZ-CE 3.49Å; F126-M239 HydrophobicContact CZ-CG 4.32Å; F126-M239 HydrophobicContact CZ-SD 3.84Å; L168-M239 HydrophobicContact CD1-CB 3.83Å; L168-M239 HydrophobicContact CD1-CG 4.43Å; L168-M239 HydrophobicContact CD1-SD 3.91Å; I172-M239 HydrophobicContact CD1-CE 4.01Å; I172-M239 HydrophobicContact CD1-SD 3.61Å; I172-M239 HydrophobicContact CG1-CE 3.91Å; I172-M239 HydrophobicContact CG1-SD 3.79Å; L227-M239 HydrophobicContact CD1-CE 3.77Å; L227-M239 HydrophobicContact CD1-CG 4.19Å; L227-M239 HydrophobicContact CD1-SD 3.95Å; L227-M239 PolarHBondContact N-O 2.83Å; G228-M239 PolarHBondContact N-O 2.76Å; G228-M239 PolarHBondContact O-N 2.99Å
240H86.1Confident82.1Confident14 Ų1436.9 Ų36.97%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-147.9153.9174.658.3-53.7000111.6C125 R127 N224 I225C125-H240 WeakPolarHBondContact CB-CE1 3.25Å; C125-H240 PolarHBondContact N-O 3.1Å; C125-H240 PolarHBondContact O-CE1 3.41Å; C125-H240 PolarHBondContact O-N 3.29Å; C125-H240 VanDerWaalsContact O-N 3.13Å; C125-H240 PolarHBondContact O-ND1 3.18Å; C125-H240 PolarHBondContact SG-CE1 3.02Å; R127-H240 PolarHBondContact NE-CE1 3.13Å; R127-H240 VanDerWaalsContact NE-CE1 3.34Å; N224-H240 PolarHBondContact OD1-CD2 2.82Å; I225-H240 CarbonylContact O-C 3.6Å; I225-H240 WeakPolarHBondContact O-CA 3.19Å; I225-H240 WeakPolarHBondContact O-CB 3.4Å
241I89.9Confident79.3Confident1 Ų142.7 Ų42.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-104.2140.3172.3-44.7179.4000108.2E122 S123 Y124 A175 L179 N224 I225 L227 T243E122-I241 HydrophobicContact CG-CG2 4.08Å; S123-I241 CarbonylContact O-C 3.35Å; S123-I241 VanDerWaalsContact O-CA 3.27Å; S123-I241 WeakPolarHBondContact O-CA 3.27Å; S123-I241 WeakPolarHBondContact O-CG2 3.44Å; Y124-I241 HydrophobicContact CD1-CD1 4.28Å; Y124-I241 HydrophobicContact CD1-CG1 3.83Å; Y124-I241 HydrophobicContact CD1-CG2 4.36Å; Y124-I241 HydrophobicContact CE1-CB 4.37Å; Y124-I241 HydrophobicContact CE1-CD1 3.55Å; Y124-I241 HydrophobicContact CE1-CG1 3.59Å; Y124-I241 HydrophobicContact CE1-CG2 3.97Å; A175-I241 HydrophobicContact CB-CD1 3.61Å; L179-I241 HydrophobicContact CD1-CD1 3.8Å; N224-I241 WeakPolarHBondContact CA-O 3.5Å; I225-I241 HydrophobicContact CB-CB 4.31Å; I225-I241 PolarHBondContact N-O 3.07Å; I225-I241 PolarHBondContact O-N 3.13Å; L227-I241 HydrophobicContact CD1-CD1 3.94Å; L227-I241 HydrophobicContact CD1-CG1 3.77Å; L227-I241 HydrophobicContact CD2-CD1 3.97Å; L227-I241 HydrophobicContact CD2-CG1 4.11Å; L227-I241 HydrophobicContact CG-CD1 4.28Å; L227-I241 HydrophobicContact CG-CG1 3.97Å; I241-T243 HydrophobicContact CG2-CG2 4.36Å
242Q85Confident76.7Confident45 Ų4542.6 Ų42.621%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-114.8127.6157-65.9-177.1-94.300109.1E122 S123 F218 I223 N224E122-Q242 CarbonylContact C-O 3.55Å; E122-Q242 WeakPolarHBondContact CA-O 3.14Å; S123-Q242 PolarHBondContact N-O 3.45Å; S123-Q242 PolarHBondContact O-N 2.82Å; F218-Q242 HydrophobicContact CE1-CB 4.18Å; F218-Q242 HydrophobicContact CE2-CB 4.24Å; F218-Q242 HydrophobicContact CZ-CB 3.59Å; I223-Q242 WeakPolarHBondContact O-CA 3.47Å; N224-Q242 HydrophobicContact CB-CG 4.44Å
243T84Confident73.9Confident0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-149.2147.9-172.5-173.30000110E122 L179 N222 I223 I225 I241 L247E122-T243 WeakPolarHBondContact OE2-CB 3.24Å; E122-T243 PolarHBondContact OE2-OG1 2.75Å; L179-T243 HydrophobicContact CD2-CG2 3.75Å; N222-T243 WeakPolarHBondContact CA-O 3.44Å; I223-T243 HydrophobicContact CD1-CG2 4.1Å; I223-T243 HydrophobicContact CG1-CG2 3.82Å; I223-T243 WeakPolarHBondContact CG1-O 3.47Å; I223-T243 PolarHBondContact N-O 2.93Å; I223-T243 PolarHBondContact O-N 3.03Å; I225-T243 HydrophobicContact CD1-CG2 4.12Å; I241-T243 HydrophobicContact CG2-CG2 4.36Å; T243-L247 WeakPolarHBondContact OG1-CD1 3.5Å
244S77.3Confident71.3Confident12 Ų1254.2 Ų54.28%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-62.3134.3178.2-61.50000111.1I121 R246 L247I121-S244 PolarHBondContact O-N 2.86Å; S244-R246 PolarHBondContact O-N 3.03Å; S244-L247 WeakPolarHBondContact O-CB 3.36Å; S244-L247 PolarHBondContact O-N 3.12Å
245R72.3Confident68.4Low88 Ų8858.3 Ų58.333%0.33232%0.32SS..G310 helixtrans-54.5-29.5-174.6-177.2-179.7-66.3-104.81.6113.9D221 I223 L247 L248D221-R245 WeakPolarHBondContact O-CB 3.01Å; D221-R245 PolarHBondContact O-N 2.91Å; I223-R245 HydrophobicContact CG2-CB 4.34Å; I223-R245 HydrophobicContact CG2-CG 4.49Å; R245-L247 PolarHBondContact O-N 3.09Å; R245-L248 PolarHBondContact O-N 3.43Å
246R70.1Confident65.4Low197 Ų19767.7 Ų67.774%0.74336%0.36SS*.G310 helixtrans-60.2-22.7175.2-65.1-175.3-172.3164.73.2113.8E220 S244E220-R246 VanDerWaalsContact CD-CZ 3.41Å; E220-R246 IonicContact OE1-CZ 2.99Å; E220-R246 IonicContact OE1-NE 3.42Å; E220-R246 PolarHBondContact OE1-NE 3.35Å; E220-R246 IonicContact OE1-NH1 3.34Å; E220-R246 PolarHBondContact OE1-NH1 2.77Å; E220-R246 IonicContact OE1-NH2 3.63Å; E220-R246 WeakPolarHBondContact OE2-CD 3.17Å; E220-R246 VanDerWaalsContact OE2-CG 3.29Å; E220-R246 WeakPolarHBondContact OE2-CG 3.19Å; E220-R246 IonicContact OE2-CZ 3.48Å; E220-R246 IonicContact OE2-NE 3.1Å; E220-R246 PolarHBondContact OE2-NE 3.36Å; E220-R246 VanDerWaalsContact OE2-NE 3.1Å; E220-R246 IonicContact OE2-NH1 3.03Å; S244-R246 PolarHBondContact O-N 3.03Å
247L67.7Low62.3Low25 Ų2572.7 Ų72.713%0.13140%0.395CS..G310 helixtrans-84.4-5.5-175.3-60.5177.8000114.2I121 L179 S180 T243 S244 R245I121-L247 HydrophobicContact CG2-CD1 3.65Å; L179-L247 CarbonylContact C-O 3.53Å; L179-L247 WeakPolarHBondContact CA-O 3.31Å; S180-L247 WeakPolarHBondContact CB-O 3.46Å; S180-L247 PolarHBondContact N-O 3.04Å; S180-L247 VanDerWaalsContact OG-CA 3.25Å; S180-L247 WeakPolarHBondContact OG-CA 3.47Å; S180-L247 WeakPolarHBondContact OG-CD2 3.34Å; S180-L247 PolarHBondContact OG-O 2.99Å; T243-L247 WeakPolarHBondContact OG1-CD1 3.5Å; S244-L247 WeakPolarHBondContact O-CB 3.36Å; S244-L247 PolarHBondContact O-N 3.12Å; R245-L247 PolarHBondContact O-N 3.09Å
248L67.3Low59Low35 Ų3578.6 Ų78.618%0.18343%0.432CS..BIsolated β-bridgetrans-76.7121.8171.9-76.3-176.5000112L179 I223 I225 R245 G250L179-L248 HydrophobicContact CD2-CD2 4.06Å; I223-L248 HydrophobicContact CD1-CD1 3.4Å; I223-L248 HydrophobicContact CD1-CD2 3.95Å; I223-L248 HydrophobicContact CD1-CG 3.59Å; I225-L248 HydrophobicContact CD1-CD2 4.3Å; R245-L248 PolarHBondContact O-N 3.43Å; L248-G250 PolarHBondContact O-N 3.34Å
249S54.8Low55.9Low81 Ų8184.1 Ų84.157%0.56646%0.459SS*.  trans-81.481168670000111.1R178R178-S249 PolarHBondContact O-N 2.82Å; R178-S249 PolarHBondContact O-OG 3Å; R178-S249 VanDerWaalsContact O-OG 3.04Å
250G47.8Very low52.6Low52 Ų5293 Ų9354%0.53650%0.5SS..SBendtrans170.2139.7173.100000114.8L248 V252L248-G250 PolarHBondContact O-N 3.34Å; G250-V252 VanDerWaalsContact C-N 3.32Å; G250-V252 PolarHBondContact O-N 3.19Å
251S34.9Very low49.8Very low122 Ų12299.5 Ų99.585%0.85354%0.535SS*.  trans-79.176.6-179.9-165.80000111.7K253S251-K253 PolarHBondContact O-N 2.9Å
252V38.4Very low46.7Very low71 Ų71109.3 Ų109.343%0.4358%0.581SS.*  trans-71.7105.8172.8-177.40000108.9G250 S254 L272G250-V252 VanDerWaalsContact C-N 3.32Å; G250-V252 PolarHBondContact O-N 3.19Å; V252-S254 PolarHBondContact O-N 3.27Å; V252-S254 VanDerWaalsContact O-N 3.14Å; V252-L272 HydrophobicContact CG2-CD2 3.97Å
253K32.1Very low43.9Very low188 Ų188111.9 Ų111.982%0.81760%0.604SS**  trans-68.7107173.5-67.1-176.6179.9-179.40109.8S251 T255S251-K253 PolarHBondContact O-N 2.9Å; K253-T255 PolarHBondContact O-N 2.76Å; K253-T255 VanDerWaalsContact O-N 3.09Å
254S33.3Very low41.6Very low83 Ų83117.6 Ų117.658%0.5863%0.634SS**  trans-59.9112170.3-64.60000110.7V252 K256V252-S254 PolarHBondContact O-N 3.27Å; V252-S254 VanDerWaalsContact O-N 3.14Å; S254-K256 PolarHBondContact O-N 2.81Å; S254-K256 VanDerWaalsContact O-N 3.13Å
255T27.9Very low39.8Very low136 Ų136122.9 Ų122.983%0.83466%0.656SS**  trans-64106.6160.317.50000108.5K253 S257K253-T255 PolarHBondContact O-N 2.76Å; K253-T255 VanDerWaalsContact O-N 3.09Å; T255-S257 PolarHBondContact O-N 3.32Å
256K28.4Very low38.1Very low200 Ų200123.1 Ų123.187%0.8766%0.662SS**  trans-69.595.5171.1-72.2-171.5175.2-171.70109.7S254S254-K256 PolarHBondContact O-N 2.81Å; S254-K256 VanDerWaalsContact O-N 3.13Å
257S29.4Very low37.3Very low110 Ų110115.8 Ų115.877%0.76964%0.637SS**  trans-77.1115.315447.80000108.1T255T255-S257 PolarHBondContact O-N 3.32Å
258T24.7Very low36.4Very low128 Ų128118.1 Ų118.179%0.78566%0.655SS**  trans-68.3161.2174-38.80000110.5
259Q28.6Very low35.8Very low174 Ų174116.8 Ų116.881%0.81365%0.648SS**SBendtrans8590.7179.4-53.7-177.8-59.700115.1
260E24.8Very low35.2Very low190 Ų190115.5 Ų115.589%0.88865%0.648SS**  35.585.9121.8-67.6156.9-139.600117.8
261D26.4Very low35Very low152 Ų152117.3 Ų117.381%0.81365%0.652SS**  trans-161.2139.7142.1-120.8-24.9000111S263D261-S263 PolarHBondContact O-N 3.26Å; D261-S263 PolarHBondContact O-OG 3.09Å
262E25Very low35.3Very low207 Ų207113.5 Ų113.597%0.96762%0.622SS**  trans-71.494.6-176.2-68.3-17014600111.6
263S26.3Very low35.3Very low99 Ų99114.9 Ų114.969%0.69263%0.627SS**  trans-140.3135-176.4560000113.8D261 H265D261-S263 PolarHBondContact O-N 3.26Å; D261-S263 PolarHBondContact O-OG 3.09Å; S263-H265 PolarHBondContact O-N 3.28Å
264I36.5Very low35.2Very low120 Ų120110.1 Ų110.162%0.61562%0.623SS**  trans-69.4122.9-176.9-63.5168000109.6N224 E266N224-I264 HydrophobicContact CB-CG2 4.22Å; I264-E266 PolarHBondContact O-N 3.04Å
265H40Very low35.3Very low122 Ų122111 Ų11157%0.56563%0.629SS**  trans-63.4105.3177.3-90.9-63.1000111.9N224 S263N224-H265 PolarHBondContact N-O 3.13Å; S263-H265 PolarHBondContact O-N 3.28Å
266E36.5Very low35.3Very low94 Ų94114.6 Ų114.644%0.43963%0.633SS.*EExtended strand (participates in β ladder)trans-92.8134.4176.6-175.9172.3111.200111.6R226 I264R226-E266 WeakPolarHBondContact CD-OE1 3.41Å; R226-E266 HydrophobicContact CG-CG 4.32Å; R226-E266 IonicContact CZ-OE1 3.47Å; R226-E266 IonicContact CZ-OE2 3.43Å; R226-E266 IonicContact NE-OE1 2.71Å; R226-E266 PolarHBondContact NE-OE1 3.37Å; R226-E266 IonicContact NE-OE2 3.83Å; R226-E266 PolarHBondContact NE-OE2 2.92Å; R226-E266 IonicContact NH1-OE1 3.9Å; R226-E266 PolarHBondContact NH1-OE1 3.3Å; R226-E266 IonicContact NH2-OE1 2.78Å; R226-E266 PolarHBondContact NH2-OE1 2.77Å; R226-E266 IonicContact NH2-OE2 3.29Å; R226-E266 PolarHBondContact NH2-OE2 2.83Å; I264-E266 PolarHBondContact O-N 3.04Å
267L52.1Low35.4Very low43 Ų43111.5 Ų111.523%0.22563%0.631CS.*EExtended strand (participates in β ladder)trans-122.9136.3177.1-66.1175.4000111.3I223 N224 R226I223-L267 HydrophobicContact CD1-CD1 4.32Å; N224-L267 PolarHBondContact O-N 2.71Å; R226-L267 PolarHBondContact N-O 2.98Å
268S49.4Very low35.4Very low74 Ų74113.7 Ų113.752%0.51763%0.634SS.*EExtended strand (participates in β ladder)trans-101.9138168.2178.40000109.6G270 S271S268-G270 PolarHBondContact O-N 2.91Å; S268-S271 PolarHBondContact O-N 2.88Å
269L54.1Low35.5Very low7 Ų7116.2 Ų116.24%0.03764%0.636CS.*G310 helixtrans-58.5-23.5-177.7-120.571.4000113.6N171 T174 I225 L227 S271 L272N171-L269 HydrophobicContact CB-CD2 3.87Å; T174-L269 HydrophobicContact CG2-CD2 3.92Å; I225-L269 HydrophobicContact CG2-CD1 3.34Å; L227-L269 HydrophobicContact CD2-CD1 4.18Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.91Å; L269-L272 HydrophobicContact CD1-CD1 4.07Å; L269-L272 HydrophobicContact CG-CD1 4.38Å; L269-L272 PolarHBondContact O-N 3.06Å; L269-L272 VanDerWaalsContact O-N 3.07Å
270G41.6Very low35.5Very low54 Ų54114.8 Ų114.856%0.55764%0.635SS**G310 helixtrans-57.6-35174.900000113.6S268 L272 N273S268-G270 PolarHBondContact O-N 2.91Å; G270-L272 VanDerWaalsContact C-N 3.3Å; G270-L272 PolarHBondContact O-N 3.24Å; G270-N273 PolarHBondContact O-N 3.37Å
271S44.6Very low35.8Very low89 Ų89112.6 Ų112.662%0.62263%0.629SS**G310 helixtrans-73.5-20.3177.6-59.20000113.4S268 L269 N273S268-S271 PolarHBondContact O-N 2.88Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.91Å; S271-N273 VanDerWaalsContact C-N 3.31Å
272L42.2Very low35.9Very low43 Ų43112.3 Ų112.323%0.22563%0.627CS.*G310 helixtrans-82.8-7.7177.4-65.1174000113R178 V252 L269 G270R178-L272 VanDerWaalsContact NH1-CB 3.34Å; V252-L272 HydrophobicContact CG2-CD2 3.97Å; L269-L272 HydrophobicContact CD1-CD1 4.07Å; L269-L272 HydrophobicContact CG-CD1 4.38Å; L269-L272 PolarHBondContact O-N 3.06Å; L269-L272 VanDerWaalsContact O-N 3.07Å; G270-L272 VanDerWaalsContact C-N 3.3Å; G270-L272 PolarHBondContact O-N 3.24Å
273N37.2Very low35.9Very low100 Ų100109.1 Ų109.154%0.53562%0.616SS.*G310 helixtrans-92.43.7179.1-66.5-7000113.2R178 G270 S271 S275R178-N273 PolarHBondContact NH1-OD1 3.43Å; R178-N273 PolarHBondContact NH2-OD1 3.24Å; G270-N273 PolarHBondContact O-N 3.37Å; S271-N273 VanDerWaalsContact C-N 3.31Å; N273-S275 PolarHBondContact O-N 2.8Å
274A29.6Very low35.9Very low88 Ų88108.4 Ų108.473%0.72761%0.611SS**  trans-77.860.6179.700000112.9
275S35.5Very low35.4Very low102 Ų102110.5 Ų110.571%0.71362%0.623SS**SBendtrans-141.494.3175.1-78.50000111.6N273N273-S275 PolarHBondContact O-N 2.8Å
276K29.3Very low35.1Very low210 Ų210110.8 Ų110.891%0.91364%0.638SS**  trans13.7103165.9-65.8-175.5176.5-174.60117.2
277V29.7Very low34.6Very low136 Ų136115.9 Ų115.982%0.82466%0.659SS**  trans-130133.1144.4-1720000106.5
278N30Very low33.4Very low156 Ų156122.5 Ų122.583%0.83469%0.689SS**  trans-76.6151.9175-90.512.7000110.3
279E27Very low32.4Very low180 Ų180127.3 Ų127.384%0.84170%0.704SS**  trans-69136.8161.8-59.9170.6127.100109.5
280N28.7Very low31.4Very low145 Ų145136.5 Ų136.578%0.77575%0.746SS**  trans166.6156.5137.1-83.8-6.4000112.4
281D29.6Very low30.6Very low144 Ų144139.7 Ų139.777%0.7776%0.755SS**  trans55.698.7157.3-55-16.3000120.7
282D28.2Very low29.8Very low145 Ų145142.9 Ų142.978%0.77576%0.764SS**  45.6156.2101.6-152.115.9000121.9
283L25.6Very low29Very low140 Ų140146.5 Ų146.573%0.73379%0.788SS**  trans61.5148.4-179.3-85.469000116.3
284S27.1Very low28.5Very low84 Ų84146.3 Ų146.359%0.58780%0.795SS**  cis165.4169.8-28.958.80000106.8
285L26Very low28.4Very low164 Ų164148.8 Ų148.886%0.85980%0.796SS**  trans63.689.6158.7-58.7173.9000119.4
286S32.2Very low28Very low128 Ų128151.8 Ų151.890%0.89580%0.798SS**  trans-154.643.914754.90000113.3
287F27.3Very low28.2Very low201 Ų201149.4 Ų149.488%0.88280%0.796SS**  trans-115.287.4178.8-145.7-70.1000111.6
288Q26.6Very low28.2Very low183 Ų183152 Ų15286%0.85580%0.799SS**  trans-171.6149.8150.6-111.8160.853.100114.8
289Q29.1Very low28.4Very low174 Ų174148 Ų14881%0.81378%0.783SS**  trans71.576.3147.9-157.8165.145.300119.1
290Q32Very low28.7Very low201 Ų201144.8 Ų144.894%0.93977%0.768SS**  -144.1113.8122.5-113.6165.629.100111.2
291T25Very low29.2Very low120 Ų120141.5 Ų141.574%0.73676%0.756SS**  trans-88.5147.2164.848.20000109.4
292L28.2Very low30.2Very low156 Ų156141.8 Ų141.882%0.81775%0.748SS**  167.9119.8123.8-88.3166.6000111.9
293V26.3Very low32Very low119 Ų119139.5 Ų139.572%0.72173%0.732SS**  trans60.7132.3138.2-177.40000120.7
294S26.2Very low34.3Very low97 Ų97133.4 Ų133.468%0.67870%0.702SS**  trans63.9149.7159.564.60000118.7
295D26.9Very low37Very low139 Ų139135.2 Ų135.274%0.74370%0.696SS**  cis-160175.7-29.5-105.6-50.4000107.2
296E27.9Very low40Very low166 Ų166127.9 Ų127.978%0.77666%0.658SS**  trans46.4106.4157.7-68.8168.1-16000118.6
297N31.7Very low42.9Very low160 Ų160122.2 Ų122.286%0.85662%0.619SS**  179.1110.2117.6-99.4-76.1000110.2S299N297-S299 PolarHBondContact O-N 3.32Å
298E30.5Very low46Very low191 Ų191112.8 Ų112.889%0.89358%0.578SS**  trans-82.1110.7179.9-64.8-172.7110.500111E300E298-E300 PolarHBondContact O-N 2.76Å
299S35.2Very low48.7Very low70 Ų70106.5 Ų106.549%0.4956%0.561SS.*  trans-78.981.9178.952.70000112N297 S301N297-S299 PolarHBondContact O-N 3.32Å; S299-S301 PolarHBondContact O-N 2.99Å; S299-S301 VanDerWaalsContact O-N 3.13Å
300E33.1Very low51.3Low113 Ų11399.3 Ų99.353%0.52853%0.529SS..  trans-30.5109.2-175.1-65.2-178.8162.700114.8E298 Y302E298-E300 PolarHBondContact O-N 2.76Å; E300-Y302 HydrophobicContact CB-CD1 4.49Å; E300-Y302 HydrophobicContact CB-CE1 4.21Å; E300-Y302 VanDerWaalsContact OE2-CE1 3.24Å; E300-Y302 WeakPolarHBondContact OE2-CE1 3.35Å
301S37.7Very low53.4Low76 Ų7694.6 Ų94.653%0.53151%0.511SS..  trans-93.9106.3151.759.10000107.5S299 E303S299-S301 PolarHBondContact O-N 2.99Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S301-E303 VanDerWaalsContact C-N 3.32Å; S301-E303 PolarHBondContact O-N 2.99Å
302Y51.9Low55.8Low151 Ų15191.3 Ų91.359%0.59249%0.486SS*.  trans-53.692.2175-57.6-54.6000111E300 A304 W326E300-Y302 HydrophobicContact CB-CD1 4.49Å; E300-Y302 HydrophobicContact CB-CE1 4.21Å; E300-Y302 VanDerWaalsContact OE2-CE1 3.24Å; E300-Y302 WeakPolarHBondContact OE2-CE1 3.35Å; Y302-A304 PolarHBondContact O-N 2.95Å; Y302-W326 AromaticContact CD1-CD1 3.97Å; Y302-W326 AromaticContact CD1-NE1 3.38Å; Y302-W326 AromaticContact CG-NE1 3.83Å
303E64.7Low58Low96 Ų9689.5 Ų89.545%0.44948%0.478SS..  trans-92.692.5-174.4-163.6-159.1124.200108.5S301 R305 K325S301-E303 VanDerWaalsContact C-N 3.32Å; S301-E303 PolarHBondContact O-N 2.99Å; E303-R305 PolarHBondContact O-N 3.12Å; E303-K325 HydrophobicContact CB-CD 4.32Å; E303-K325 WeakPolarHBondContact O-CA 3.5Å; E303-K325 WeakPolarHBondContact O-CB 3.41Å; E303-K325 WeakPolarHBondContact O-CG 3.38Å; E303-K325 IonicContact OE1-NZ 3.91Å; E303-K325 PolarHBondContact OE1-NZ 2.97Å; E303-K325 WeakPolarHBondContact OE2-CE 3.49Å; E303-K325 IonicContact OE2-NZ 2.75Å; E303-K325 PolarHBondContact OE2-NZ 3.03Å
304A74.1Confident60.2Low13 Ų1385.3 Ų85.311%0.10745%0.451CS..  trans-58.3130.9174.300000110.6Y302 N311 W326Y302-A304 PolarHBondContact O-N 2.95Å; A304-N311 HydrophobicContact CB-CB 4.15Å; A304-N311 PolarHBondContact O-ND2 3.01Å; A304-N311 PolarHBondContact O-OD1 3.02Å; A304-W326 CarbonylContact C-O 3.25Å; A304-W326 VanDerWaalsContact CA-O 3.24Å; A304-W326 WeakPolarHBondContact CA-O 3.37Å; A304-W326 HydrophobicContact CB-CB 4.39Å
305R84.3Confident62.8Low122 Ų12284.1 Ų84.146%0.4645%0.454SS..  trans-145.882.3175.1-175.7-155.9160.4124.62109.4E303 K325 W326 Q327E303-R305 PolarHBondContact O-N 3.12Å; R305-K325 HydrophobicContact CB-CB 4Å; R305-K325 HydrophobicContact CB-CD 3.82Å; R305-K325 HydrophobicContact CB-CG 4.47Å; R305-W326 PolarHBondContact N-O 2.77Å; R305-Q327 PolarHBondContact O-NE2 2.88Å
306C90Very high65.5Low9 Ų979.3 Ų79.36%0.06143%0.43CS..  trans-87.5144177.1-167.20000112.2C308 G309 Q327 H328 C331C306-C308 PolarHBondContact O-N 3.07Å; C306-G309 PolarHBondContact O-N 3.46Å; C306-Q327 HydrophobicContact CB-CB 4.35Å; C306-H328 WeakPolarHBondContact CB-ND1 3.21Å; C306-H328 PolarHBondContact SG-N 2.82Å; C306-H328 VanDerWaalsContact SG-N 3.42Å; C306-H328 PolarHBondContact SG-ND1 2.87Å; C306-C331 VanDerWaalsContact SG-CB 3.6Å; C306-C331 PolarHBondContact SG-SG 2.95Å
307P91.8Very high68.4Low10 Ų1073.4 Ų73.47%0.06540%0.403CS..THydrogen-bonded Turntrans-57.6-10.6170.519.1-33.7000116.2G309 C331 F332 I367 R375P307-G309 PolarHBondContact O-N 3.38Å; P307-C331 HydrophobicContact CG-CB 4.34Å; P307-F332 HydrophobicContact CG-CE1 4.31Å; P307-F332 HydrophobicContact CG-CE2 3.77Å; P307-F332 HydrophobicContact CG-CZ 3.55Å; P307-I367 HydrophobicContact CB-CD1 4.27Å; P307-I367 HydrophobicContact CG-CD1 3.93Å; P307-R375 HydrophobicContact CB-CG 3.82Å
308C92.3Very high71.1Confident3 Ų366.1 Ų66.12%0.0236%0.364CS..THydrogen-bonded Turntrans-72.9-14.5170.374.40000113.5C306 V310 H328 C379 L380C306-C308 PolarHBondContact O-N 3.07Å; C308-V310 VanDerWaalsContact C-N 3.32Å; C308-V310 PolarHBondContact SG-N 3.24Å; C308-V310 VanDerWaalsContact SG-N 3.36Å; C308-H328 VanDerWaalsContact SG-CE1 3.59Å; C308-H328 PolarHBondContact SG-ND1 2.99Å; C308-C379 HydrophobicContact CB-CB 3.65Å; C308-L380 HydrophobicContact CB-CD2 3.96Å; C308-L380 HydrophobicContact CB-CG 4.13Å
309G84.1Confident73.8Confident50 Ų5060 Ų6052%0.51534%0.337SS..SBendtrans79.28.5-176.900000115C306 P307C306-G309 PolarHBondContact O-N 3.46Å; P307-G309 PolarHBondContact O-N 3.38Å
310V83.1Confident76.4Confident23 Ų2356.7 Ų56.714%0.13931%0.314CS..  trans-115.5128.3177.1-170.50000109.2C308 K312 H328 L380 I405C308-V310 VanDerWaalsContact C-N 3.32Å; C308-V310 PolarHBondContact SG-N 3.24Å; C308-V310 VanDerWaalsContact SG-N 3.36Å; V310-K312 HydrophobicContact CG1-CB 3.93Å; V310-H328 PolarHBondContact O-CE1 3.02Å; V310-L380 HydrophobicContact CG2-CD2 3.99Å; V310-I405 HydrophobicContact CG2-CG2 3.62Å
311N76.6Confident79Confident103 Ų10354.6 Ų54.655%0.55131%0.306SS*.  trans-107.848.3-179.6-60.1-9.3000110.2A304A304-N311 HydrophobicContact CB-CB 4.15Å; A304-N311 PolarHBondContact O-ND2 3.01Å; A304-N311 PolarHBondContact O-OD1 3.02Å
312K75.8Confident81.2Confident51 Ų5151.1 Ų51.122%0.22228%0.282CS..  trans-100.4138.4168.9-178.7-176.4-178.2-1760106.7V310 D314 H328 R401 S402V310-K312 HydrophobicContact CG1-CB 3.93Å; K312-D314 PolarHBondContact O-N 3.26Å; K312-H328 PolarHBondContact O-CE1 3.45Å; K312-H328 PolarHBondContact O-NE2 3.21Å; K312-R401 PolarHBondContact NZ-O 3.46Å; K312-S402 PolarHBondContact NZ-O 3.13Å
313D74.8Confident82.9Confident118 Ų11845.9 Ų45.963%0.63127%0.267SS*.  trans-84.1109.5173.1-48.6-49.1000108.1M317D313-M317 HydrophobicContact CB-CE 4.41Å; D313-M317 WeakPolarHBondContact OD1-CE 3.47Å
314D72.7Confident83.8Confident30 Ų3046.2 Ų46.216%0.1627%0.272CS..  trans-150.8130.6179.758.5-82.6000112.6K312 H328 R383K312-D314 PolarHBondContact O-N 3.26Å; D314-H328 PolarHBondContact O-CD2 2.89Å; D314-H328 VanDerWaalsContact O-CD2 3.26Å; D314-H328 IonicContact OD1-CD2 3.05Å; D314-H328 IonicContact OD1-CE1 3.59Å; D314-H328 IonicContact OD1-NE2 2.76Å; D314-H328 PolarHBondContact OD1-NE2 2.85Å; D314-H328 IonicContact OD2-NE2 3.67Å; D314-R383 IonicContact OD1-CZ 2.74Å; D314-R383 IonicContact OD1-NE 3.31Å; D314-R383 IonicContact OD1-NH2 3.81Å; D314-R383 PolarHBondContact OD1-NH2 2.86Å; D314-R383 IonicContact OD2-CZ 3.6Å; D314-R383 VanDerWaalsContact OD2-CZ 3.31Å; D314-R383 IonicContact OD2-NE 3.74Å; D314-R383 PolarHBondContact OD2-NE 2.98Å; D314-R383 IonicContact OD2-NH2 3.85Å; D314-R383 PolarHBondContact OD2-NH2 2.86Å
315G78.8Confident84.3Confident73 Ų7348 Ų4875%0.75328%0.277SS*.SBendtrans75.1-159.3-172.100000112.9M317G315-M317 PolarHBondContact O-N 3.27Å
316V85Confident84.5Confident38 Ų3846.1 Ų46.123%0.2327%0.27CS..SBendtrans-69.9126.2175.7-176.50000109.2A329 V340V316-A329 HydrophobicContact CB-CB 3.98Å; V316-A329 HydrophobicContact CG1-CB 3.76Å; V316-A329 VanDerWaalsContact O-CB 3.32Å; V316-A329 WeakPolarHBondContact O-CB 3.26Å; V316-A329 PolarHBondContact O-N 2.8Å; V316-V340 HydrophobicContact CG1-CG2 3.78Å
317M88.4Confident84.5Confident41 Ų4145.7 Ų45.720%0.20227%0.267CS..EExtended strand (participates in β ladder)trans-104.6145.7177.5-61.5-64.6-72.500110D313 G315 W326 Q327 H328D313-M317 HydrophobicContact CB-CE 4.41Å; D313-M317 WeakPolarHBondContact OD1-CE 3.47Å; G315-M317 PolarHBondContact O-N 3.27Å; M317-W326 HydrophobicContact CB-CE3 3.77Å; M317-W326 HydrophobicContact CB-CZ3 4.07Å; M317-W326 HydrophobicContact CE-CB 4.19Å; M317-Q327 CarbonylContact C-O 3.53Å; M317-Q327 VanDerWaalsContact CA-O 3.31Å; M317-Q327 WeakPolarHBondContact CA-O 3.48Å; M317-H328 VanDerWaalsContact SD-CD2 3.53Å
318I88.3Confident84.4Confident7 Ų745.3 Ų45.34%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-131.4140.6-179.2-164164.4000110.3W326 Q327 A329 F332 I334 V340 P341 H344I318-W326 CarbonylContact O-C 3.51Å; I318-W326 WeakPolarHBondContact O-CA 3.18Å; I318-Q327 HydrophobicContact CG2-CB 4.19Å; I318-Q327 PolarHBondContact N-O 2.96Å; I318-Q327 PolarHBondContact O-N 3.43Å; I318-A329 HydrophobicContact CB-CB 4.07Å; I318-A329 HydrophobicContact CG2-CB 4.13Å; I318-F332 HydrophobicContact CG2-CD2 4.42Å; I318-I334 HydrophobicContact CD1-CD1 3.64Å; I318-V340 HydrophobicContact CD1-CG1 3.93Å; I318-V340 HydrophobicContact CG1-CG1 4.25Å; I318-P341 HydrophobicContact CD1-CG 4.18Å; I318-H344 HydrophobicContact CD1-CB 3.53Å; I318-H344 VanDerWaalsContact CD1-CG 3.48Å; I318-H344 HydrophobicContact CG1-CB 3.84Å
319L86.9Confident84.3Confident63 Ų6345.2 Ų45.233%0.3326%0.264SS..EExtended strand (participates in β ladder)trans-92.6142.3177.4-171.764.9000109.7D324 W326 H344L319-D324 VanDerWaalsContact CD1-C 3.46Å; L319-D324 WeakPolarHBondContact CD1-O 3.47Å; L319-W326 HydrophobicContact CB-CD2 4.45Å; L319-W326 HydrophobicContact CB-CE3 4.33Å; L319-W326 HydrophobicContact CB-CH2 4.46Å; L319-W326 HydrophobicContact CB-CZ3 4.34Å; L319-W326 HydrophobicContact CD1-CD2 4.14Å; L319-W326 HydrophobicContact CD1-CG 4.17Å; L319-H344 PolarHBondContact O-CD2 3.47Å; L319-H344 VanDerWaalsContact O-CD2 3.3Å
320C89.6Confident84.8Confident0 Ų043.4 Ų43.40%024%0.243CC..  trans-100.3110.6177.9161.70000111.5G322 C323 D324 K325 H344 C346C320-G322 PolarHBondContact O-N 3.47Å; C320-C323 PolarHBondContact O-N 3.21Å; C320-D324 PolarHBondContact O-N 2.67Å; C320-K325 PolarHBondContact N-O 3.33Å; C320-H344 CarbonylContact C-O 3.42Å; C320-H344 WeakPolarHBondContact CA-O 3.42Å; C320-C346 HydrophobicContact CB-CB 3.97Å; C320-C346 VanDerWaalsContact SG-CB 3.57Å; C320-C346 PolarHBondContact SG-N 3.47Å
321D88Confident85.3Confident70 Ų7042.3 Ų42.337%0.37424%0.236SC..THydrogen-bonded Turntrans-57.2-12-178.4-47.7-24.3000114.5S343 H344D321-S343 WeakPolarHBondContact OD2-CA 3.33Å; D321-S343 VanDerWaalsContact OD2-CB 3.27Å; D321-S343 WeakPolarHBondContact OD2-CB 3.1Å; D321-S343 PolarHBondContact OD2-OG 3.32Å; D321-H344 PolarHBondContact N-O 2.78Å; D321-H344 PolarHBondContact OD2-N 3.08Å
322G84.6Confident86.1Confident3 Ų337.6 Ų37.63%0.03121%0.211CC..THydrogen-bonded Turntrans-95.7-9.8178.400000116C320 C349 K353C320-G322 PolarHBondContact O-N 3.47Å; G322-C349 PolarHBondContact O-SG 2.87Å; G322-K353 PolarHBondContact O-NZ 2.86Å
323C87.7Confident87Confident40 Ų4036.6 Ų36.627%0.2721%0.206SC..THydrogen-bonded Turntrans-162.94.4-178.466.40000116C320 K325 C349C320-C323 PolarHBondContact O-N 3.21Å; C323-K325 VanDerWaalsContact O-CG 3.24Å; C323-K325 WeakPolarHBondContact O-CG 3.44Å; C323-K325 PolarHBondContact O-N 2.8Å; C323-K325 VanDerWaalsContact O-N 3.12Å; C323-C349 VanDerWaalsContact SG-SG 3.64Å
324D83.9Confident87.7Confident103 Ų10331.5 Ų31.555%0.55118%0.178SC*.  trans63.626.4166.8-42.1-63.3000113.6L319 C320L319-D324 VanDerWaalsContact CD1-C 3.46Å; L319-D324 WeakPolarHBondContact CD1-O 3.47Å; C320-D324 PolarHBondContact O-N 2.67Å
325K83.2Confident88.3Confident50 Ų5032.5 Ų32.522%0.21718%0.184CC..  trans-103.2129.1177.9-57.5-149.8170.7-176.60111.1E303 R305 C320 C323 Q327E303-K325 HydrophobicContact CB-CD 4.32Å; E303-K325 WeakPolarHBondContact O-CA 3.5Å; E303-K325 WeakPolarHBondContact O-CB 3.41Å; E303-K325 WeakPolarHBondContact O-CG 3.38Å; E303-K325 IonicContact OE1-NZ 3.91Å; E303-K325 PolarHBondContact OE1-NZ 2.97Å; E303-K325 WeakPolarHBondContact OE2-CE 3.49Å; E303-K325 IonicContact OE2-NZ 2.75Å; E303-K325 PolarHBondContact OE2-NZ 3.03Å; R305-K325 HydrophobicContact CB-CB 4Å; R305-K325 HydrophobicContact CB-CD 3.82Å; R305-K325 HydrophobicContact CB-CG 4.47Å; C320-K325 PolarHBondContact N-O 3.33Å; C323-K325 VanDerWaalsContact O-CG 3.24Å; C323-K325 WeakPolarHBondContact O-CG 3.44Å; C323-K325 PolarHBondContact O-N 2.8Å; C323-K325 VanDerWaalsContact O-N 3.12Å; K325-Q327 WeakPolarHBondContact O-CG 3.36Å
326W88.7Confident88.6Confident83 Ų8335.4 Ų35.431%0.31418%0.177SC..EExtended strand (participates in β ladder)trans-71.8143.8177-74.395.1000111.9Y302 A304 R305 M317 I318 L319Y302-W326 AromaticContact CD1-CD1 3.97Å; Y302-W326 AromaticContact CD1-NE1 3.38Å; Y302-W326 AromaticContact CG-NE1 3.83Å; A304-W326 CarbonylContact C-O 3.25Å; A304-W326 VanDerWaalsContact CA-O 3.24Å; A304-W326 WeakPolarHBondContact CA-O 3.37Å; A304-W326 HydrophobicContact CB-CB 4.39Å; R305-W326 PolarHBondContact N-O 2.77Å; M317-W326 HydrophobicContact CB-CE3 3.77Å; M317-W326 HydrophobicContact CB-CZ3 4.07Å; M317-W326 HydrophobicContact CE-CB 4.19Å; I318-W326 CarbonylContact O-C 3.51Å; I318-W326 WeakPolarHBondContact O-CA 3.18Å; L319-W326 HydrophobicContact CB-CD2 4.45Å; L319-W326 HydrophobicContact CB-CE3 4.33Å; L319-W326 HydrophobicContact CB-CH2 4.46Å; L319-W326 HydrophobicContact CB-CZ3 4.34Å; L319-W326 HydrophobicContact CD1-CD2 4.14Å; L319-W326 HydrophobicContact CD1-CG 4.17Å
327Q89.5Confident88.4Confident1 Ų141.4 Ų41.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-144.5158.1-174.7-33.7-164.6-82.100110.3R305 C306 M317 I318 K325 A329 F332 H344 C346R305-Q327 PolarHBondContact O-NE2 2.88Å; C306-Q327 HydrophobicContact CB-CB 4.35Å; M317-Q327 CarbonylContact C-O 3.53Å; M317-Q327 VanDerWaalsContact CA-O 3.31Å; M317-Q327 WeakPolarHBondContact CA-O 3.48Å; I318-Q327 HydrophobicContact CG2-CB 4.19Å; I318-Q327 PolarHBondContact N-O 2.96Å; I318-Q327 PolarHBondContact O-N 3.43Å; K325-Q327 WeakPolarHBondContact O-CG 3.36Å; Q327-A329 PolarHBondContact O-N 2.99Å; Q327-F332 HydrophobicContact CB-CD2 4.48Å; Q327-F332 HydrophobicContact CB-CE2 3.81Å; Q327-F332 VanDerWaalsContact CD-CE2 3.49Å; Q327-F332 HydrophobicContact CG-CE2 4.26Å; Q327-H344 PolarHBondContact OE1-NE2 2.91Å; Q327-C346 VanDerWaalsContact NE2-CB 3.26Å
328H90.1Very high88.1Confident2 Ų243.2 Ų43.21%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-72.3121.5171.6-54112.7000110.1C306 C308 V310 K312 D314 M317 V330 C331 R383C306-H328 WeakPolarHBondContact CB-ND1 3.21Å; C306-H328 PolarHBondContact SG-N 2.82Å; C306-H328 VanDerWaalsContact SG-N 3.42Å; C306-H328 PolarHBondContact SG-ND1 2.87Å; C308-H328 VanDerWaalsContact SG-CE1 3.59Å; C308-H328 PolarHBondContact SG-ND1 2.99Å; V310-H328 PolarHBondContact O-CE1 3.02Å; K312-H328 PolarHBondContact O-CE1 3.45Å; K312-H328 PolarHBondContact O-NE2 3.21Å; D314-H328 PolarHBondContact O-CD2 2.89Å; D314-H328 VanDerWaalsContact O-CD2 3.26Å; D314-H328 IonicContact OD1-CD2 3.05Å; D314-H328 IonicContact OD1-CE1 3.59Å; D314-H328 IonicContact OD1-NE2 2.76Å; D314-H328 PolarHBondContact OD1-NE2 2.85Å; D314-H328 IonicContact OD2-NE2 3.67Å; M317-H328 VanDerWaalsContact SD-CD2 3.53Å; H328-V330 HydrophobicContact CB-CG1 3.88Å; H328-V330 PolarHBondContact O-N 2.8Å; H328-C331 HydrophobicContact CB-CB 4.24Å; H328-C331 WeakPolarHBondContact O-CB 3.4Å; H328-C331 PolarHBondContact O-N 2.78Å; H328-R383 PolarHBondContact CE1-NE 2.82Å; H328-R383 WeakPolarHBondContact ND1-CD 2.97Å
329A91.6Very high87.9Confident0 Ų047.1 Ų47.10%025%0.253CS..G310 helixtrans-60.7-36.917900000111.5V316 I318 Q327 C331 F332 R333 I334V316-A329 HydrophobicContact CB-CB 3.98Å; V316-A329 HydrophobicContact CG1-CB 3.76Å; V316-A329 VanDerWaalsContact O-CB 3.32Å; V316-A329 WeakPolarHBondContact O-CB 3.26Å; V316-A329 PolarHBondContact O-N 2.8Å; I318-A329 HydrophobicContact CB-CB 4.07Å; I318-A329 HydrophobicContact CG2-CB 4.13Å; Q327-A329 PolarHBondContact O-N 2.99Å; A329-C331 PolarHBondContact O-N 3.06Å; A329-F332 CarbonylContact O-C 3.58Å; A329-F332 VanDerWaalsContact O-C 3.32Å; A329-F332 WeakPolarHBondContact O-CA 3.4Å; A329-F332 PolarHBondContact O-N 2.88Å; A329-R333 PolarHBondContact O-N 3Å; A329-I334 CarbonylContact C-O 3.58Å; A329-I334 VanDerWaalsContact C-O 3.25Å; A329-I334 HydrophobicContact CB-CB 3.82Å; A329-I334 HydrophobicContact CB-CD1 4.45Å; A329-I334 HydrophobicContact CB-CG2 3.8Å; A329-I334 PolarHBondContact O-N 2.85Å; A329-I334 VanDerWaalsContact O-N 3.12Å
330V93.1Very high87.7Confident12 Ų1246.8 Ų46.87%0.07325%0.253CS..G310 helixtrans-58.7-27174.157.50000113.7H328 F332 R333 I334 L335 R382 R383 A386 F449H328-V330 HydrophobicContact CB-CG1 3.88Å; H328-V330 PolarHBondContact O-N 2.8Å; V330-F332 VanDerWaalsContact C-N 3.27Å; V330-F332 PolarHBondContact O-N 2.89Å; V330-R333 PolarHBondContact O-N 2.93Å; V330-I334 WeakPolarHBondContact CA-O 3.26Å; V330-I334 PolarHBondContact N-O 2.93Å; V330-L335 HydrophobicContact CG2-CD2 4.3Å; V330-R382 HydrophobicContact CG2-CB 4.15Å; V330-R382 VanDerWaalsContact O-CD 3.29Å; V330-R382 WeakPolarHBondContact O-CD 3.39Å; V330-R383 HydrophobicContact CG1-CG 3.6Å; V330-A386 HydrophobicContact CG2-CB 3.72Å; V330-F449 HydrophobicContact CG2-CE1 3.75Å; V330-F449 HydrophobicContact CG2-CZ 4.09Å
331C94.5Very high87.6Confident0 Ų048.5 Ų48.50%027%0.265CS..G310 helixtrans-70.8-26.3173-68.10000112.1C306 P307 H328 A329 C379 R382C306-C331 VanDerWaalsContact SG-CB 3.6Å; C306-C331 PolarHBondContact SG-SG 2.95Å; P307-C331 HydrophobicContact CG-CB 4.34Å; H328-C331 HydrophobicContact CB-CB 4.24Å; H328-C331 WeakPolarHBondContact O-CB 3.4Å; H328-C331 PolarHBondContact O-N 2.78Å; A329-C331 PolarHBondContact O-N 3.06Å; C331-C379 HydrophobicContact CB-CB 3.93Å; C331-R382 PolarHBondContact O-NH1 3.29Å
332F93.5Very high87.4Confident4 Ų452.6 Ų52.62%0.01829%0.292CS..G310 helixtrans-98.621.1173.2-63.6-84.4000113.3P307 I318 Q327 A329 V330 I334 H344 C346 D364 I367P307-F332 HydrophobicContact CG-CE1 4.31Å; P307-F332 HydrophobicContact CG-CE2 3.77Å; P307-F332 HydrophobicContact CG-CZ 3.55Å; I318-F332 HydrophobicContact CG2-CD2 4.42Å; Q327-F332 HydrophobicContact CB-CD2 4.48Å; Q327-F332 HydrophobicContact CB-CE2 3.81Å; Q327-F332 VanDerWaalsContact CD-CE2 3.49Å; Q327-F332 HydrophobicContact CG-CE2 4.26Å; A329-F332 CarbonylContact O-C 3.58Å; A329-F332 VanDerWaalsContact O-C 3.32Å; A329-F332 WeakPolarHBondContact O-CA 3.4Å; A329-F332 PolarHBondContact O-N 2.88Å; V330-F332 VanDerWaalsContact C-N 3.27Å; V330-F332 PolarHBondContact O-N 2.89Å; F332-I334 VanDerWaalsContact C-N 3.33Å; F332-I334 HydrophobicContact CB-CD1 4.45Å; F332-I334 PolarHBondContact O-N 2.79Å; F332-H344 AromaticContact CD1-CE1 3.5Å; F332-H344 AromaticContact CD2-CE1 3.67Å; F332-H344 AromaticContact CD2-NE2 3.81Å; F332-H344 AromaticContact CE1-CE1 3.73Å; F332-H344 AromaticContact CE2-CE1 3.93Å; F332-H344 AromaticContact CE2-NE2 3.76Å; F332-H344 AromaticContact CG-CE1 3.46Å; F332-H344 VanDerWaalsContact CG-CE1 3.46Å; F332-H344 WeakPolarHBondContact CG-CE1 3.5Å; F332-H344 AromaticContact CZ-CE1 3.94Å; F332-H344 AromaticContact CZ-NE2 3.95Å; F332-C346 HydrophobicContact CZ-CB 4.28Å; F332-D364 HydrophobicContact CB-CB 4.44Å; F332-D364 HydrophobicContact CD1-CB 4.08Å; F332-I367 HydrophobicContact CD1-CD1 3.91Å; F332-I367 HydrophobicContact CE1-CD1 3.69Å; F332-I367 HydrophobicContact CZ-CD1 4.32Å
333R93.6Very high87.6Confident30 Ų3053.7 Ų53.711%0.11330%0.299CS..THydrogen-bonded Turntrans78.10.8174.6-50.1-178.584-160.5-1.9116.8A329 V330 D364 R447 F448 F449 S450A329-R333 PolarHBondContact O-N 3Å; V330-R333 PolarHBondContact O-N 2.93Å; R333-D364 WeakPolarHBondContact CD-OD1 3.45Å; R333-D364 HydrophobicContact CG-CB 4.48Å; R333-R447 PolarHBondContact NH2-O 2.66Å; R333-F448 PolarHBondContact NE-O 3.44Å; R333-F448 PolarHBondContact NH2-O 3.39Å; R333-F449 HydrophobicContact CB-CD1 4.37Å; R333-F449 WeakPolarHBondContact O-CD1 3.27Å; R333-S450 PolarHBondContact NH1-O 3.3Å; R333-S450 PolarHBondContact NH2-O 3.14Å
334I89.7Confident87.8Confident11 Ų1151.9 Ų51.96%0.05629%0.287CS..  trans-84118.5-179.9-62.5155.7000109.2I318 A329 V330 F332 D339 V340 P341I318-I334 HydrophobicContact CD1-CD1 3.64Å; A329-I334 CarbonylContact C-O 3.58Å; A329-I334 VanDerWaalsContact C-O 3.25Å; A329-I334 HydrophobicContact CB-CB 3.82Å; A329-I334 HydrophobicContact CB-CD1 4.45Å; A329-I334 HydrophobicContact CB-CG2 3.8Å; A329-I334 PolarHBondContact O-N 2.85Å; A329-I334 VanDerWaalsContact O-N 3.12Å; V330-I334 WeakPolarHBondContact CA-O 3.26Å; V330-I334 PolarHBondContact N-O 2.93Å; F332-I334 VanDerWaalsContact C-N 3.33Å; F332-I334 HydrophobicContact CB-CD1 4.45Å; F332-I334 PolarHBondContact O-N 2.79Å; I334-D339 HydrophobicContact CG2-CB 3.8Å; I334-V340 HydrophobicContact CG2-CG2 3.88Å; I334-P341 VanDerWaalsContact CD1-CD 3.44Å; I334-P341 HydrophobicContact CD1-CG 4.08Å
335L85.8Confident88.1Confident52 Ų5247 Ų4727%0.27226%0.261SS..  trans-93.1-41.4-177.2-79.5175.5000113.2V330 A386 L389 F449V330-L335 HydrophobicContact CG2-CD2 4.3Å; L335-A386 HydrophobicContact CD2-CB 4Å; L335-L389 HydrophobicContact CD2-CD1 4.37Å; L335-F449 HydrophobicContact CD1-CB 4.13Å; L335-F449 HydrophobicContact CD1-CD1 4.38Å; L335-F449 HydrophobicContact CD1-CD2 3.73Å; L335-F449 HydrophobicContact CD1-CE2 4.29Å; L335-F449 HydrophobicContact CD1-CG 3.81Å; L335-F449 HydrophobicContact CD2-CD1 3.99Å; L335-F449 HydrophobicContact CD2-CD2 4.1Å; L335-F449 HydrophobicContact CD2-CE1 3.8Å; L335-F449 HydrophobicContact CD2-CE2 3.91Å; L335-F449 HydrophobicContact CD2-CG 4.17Å; L335-F449 HydrophobicContact CD2-CZ 3.76Å; L335-F449 HydrophobicContact CG-CB 4.37Å; L335-F449 HydrophobicContact CG-CD1 3.91Å; L335-F449 HydrophobicContact CG-CD2 4.09Å; L335-F449 HydrophobicContact CG-CE1 4.25Å; L335-F449 HydrophobicContact CG-CE2 4.42Å; L335-F449 HydrophobicContact CG-CG 3.85Å; L335-F449 HydrophobicContact CG-CZ 4.5Å
336Q84Confident88.6Confident133 Ų13344.6 Ų44.662%0.62125%0.251SS*.SBendtrans-114.6159.5-174.6-51.8-171.413.500111.5G338 D339Q336-G338 PolarHBondContact O-N 3.01Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.39Å; Q336-D339 PolarHBondContact N-OD2 3.1Å; Q336-D339 WeakPolarHBondContact O-CB 3.2Å; Q336-D339 PolarHBondContact O-N 3.13Å
337E81.6Confident88.7Confident164 Ų16441 Ų4177%0.76624%0.237SC*.G310 helixtrans-62.6-33.1177.5-170174.2179.200112D339 V340E337-D339 VanDerWaalsContact C-N 3.26Å; E337-D339 PolarHBondContact O-N 3.42Å; E337-V340 WeakPolarHBondContact O-CB 3.27Å; E337-V340 VanDerWaalsContact O-CG2 3.32Å; E337-V340 WeakPolarHBondContact O-CG2 3.27Å; E337-V340 PolarHBondContact O-N 2.84Å
338G81.5Confident88.7Confident79 Ų7942.9 Ų42.981%0.81425%0.247SC*.G310 helixtrans-71.6-12.9173.500000115.2Q336 V340Q336-G338 PolarHBondContact O-N 3.01Å; G338-V340 VanDerWaalsContact C-N 3.35Å
339D84.1Confident88.8Confident90 Ų9043.2 Ų43.248%0.48125%0.25SC..G310 helixtrans-88.7-3.4174.2-60-43.3000112I334 Q336 E337 P341I334-D339 HydrophobicContact CG2-CB 3.8Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.39Å; Q336-D339 PolarHBondContact N-OD2 3.1Å; Q336-D339 WeakPolarHBondContact O-CB 3.2Å; Q336-D339 PolarHBondContact O-N 3.13Å; E337-D339 VanDerWaalsContact C-N 3.26Å; E337-D339 PolarHBondContact O-N 3.42Å; D339-P341 WeakPolarHBondContact O-CD 3.38Å
340V84.3Confident88.7Confident55 Ų5543.6 Ų43.633%0.33325%0.252SS..  trans-70.1120.8-176.11740000110.1V316 I318 I334 E337 G338V316-V340 HydrophobicContact CG1-CG2 3.78Å; I318-V340 HydrophobicContact CD1-CG1 3.93Å; I318-V340 HydrophobicContact CG1-CG1 4.25Å; I334-V340 HydrophobicContact CG2-CG2 3.88Å; E337-V340 WeakPolarHBondContact O-CB 3.27Å; E337-V340 VanDerWaalsContact O-CG2 3.32Å; E337-V340 WeakPolarHBondContact O-CG2 3.27Å; E337-V340 PolarHBondContact O-N 2.84Å; G338-V340 VanDerWaalsContact C-N 3.35Å
341P86.2Confident88.5Confident36 Ų3648.3 Ų48.323%0.23427%0.272CS..  trans-72153.3179.630.1-35000111.5I318 I334 D339 S343 H344 T362I318-P341 HydrophobicContact CD1-CG 4.18Å; I334-P341 VanDerWaalsContact CD1-CD 3.44Å; I334-P341 HydrophobicContact CD1-CG 4.08Å; D339-P341 WeakPolarHBondContact O-CD 3.38Å; P341-S343 PolarHBondContact O-N 2.99Å; P341-S343 VanDerWaalsContact O-N 3.13Å; P341-H344 HydrophobicContact CG-CB 4.44Å; P341-T362 HydrophobicContact CB-CG2 4.11Å; P341-T362 VanDerWaalsContact CB-OG1 3.3Å; P341-T362 WeakPolarHBondContact CB-OG1 3.29Å; P341-T362 WeakPolarHBondContact CG-OG1 3.41Å
342T84.5Confident88.2Confident156 Ų15654.7 Ų54.796%0.95731%0.305SS*.SBendtrans-68.8-8.8-179.157.30000114.7
343S88.6Confident88Confident26 Ų2658.6 Ų58.618%0.18232%0.322CS..SBendtrans-154.1129.2175.1177.50000109D321 P341 G361 T362D321-S343 WeakPolarHBondContact OD2-CA 3.33Å; D321-S343 VanDerWaalsContact OD2-CB 3.27Å; D321-S343 WeakPolarHBondContact OD2-CB 3.1Å; D321-S343 PolarHBondContact OD2-OG 3.32Å; P341-S343 PolarHBondContact O-N 2.99Å; P341-S343 VanDerWaalsContact O-N 3.13Å; S343-G361 VanDerWaalsContact OG-CA 3.25Å; S343-G361 WeakPolarHBondContact OG-CA 3.49Å; S343-T362 PolarHBondContact O-N 2.92Å; S343-T362 PolarHBondContact O-OG1 2.8Å
344H91Very high87.6Confident3 Ų360.5 Ų60.51%0.01434%0.339CS..BIsolated β-bridgetrans-134.4138.4-173.6171.661000111.9I318 L319 C320 D321 Q327 F332 P341I318-H344 HydrophobicContact CD1-CB 3.53Å; I318-H344 VanDerWaalsContact CD1-CG 3.48Å; I318-H344 HydrophobicContact CG1-CB 3.84Å; L319-H344 PolarHBondContact O-CD2 3.47Å; L319-H344 VanDerWaalsContact O-CD2 3.3Å; C320-H344 CarbonylContact C-O 3.42Å; C320-H344 WeakPolarHBondContact CA-O 3.42Å; D321-H344 PolarHBondContact N-O 2.78Å; D321-H344 PolarHBondContact OD2-N 3.08Å; Q327-H344 PolarHBondContact OE1-NE2 2.91Å; F332-H344 AromaticContact CD1-CE1 3.5Å; F332-H344 AromaticContact CD2-CE1 3.67Å; F332-H344 AromaticContact CD2-NE2 3.81Å; F332-H344 AromaticContact CE1-CE1 3.73Å; F332-H344 AromaticContact CE2-CE1 3.93Å; F332-H344 AromaticContact CE2-NE2 3.76Å; F332-H344 AromaticContact CG-CE1 3.46Å; F332-H344 VanDerWaalsContact CG-CE1 3.46Å; F332-H344 WeakPolarHBondContact CG-CE1 3.5Å; F332-H344 AromaticContact CZ-CE1 3.94Å; F332-H344 AromaticContact CZ-NE2 3.95Å; P341-H344 HydrophobicContact CG-CB 4.44Å
345V91.2Very high87.5Confident0 Ų064.5 Ų64.50%036%0.357CS..  trans-132.3120.2-175.9-167.90000109.9C349 A350 L356 L357 T362 T363V345-C349 HydrophobicContact CG1-CB 3.52Å; V345-A350 HydrophobicContact CG1-CB 4.18Å; V345-A350 VanDerWaalsContact CG1-N 3.34Å; V345-L356 HydrophobicContact CG1-CB 4.39Å; V345-L356 HydrophobicContact CG1-CD1 4.07Å; V345-L356 HydrophobicContact CG2-CB 3.87Å; V345-L356 HydrophobicContact CG2-CD1 4.46Å; V345-L357 HydrophobicContact CB-CD2 3.97Å; V345-L357 HydrophobicContact CG1-CD2 4.32Å; V345-L357 HydrophobicContact CG2-CD2 4.05Å; V345-T362 PolarHBondContact N-O 2.81Å; V345-T363 VanDerWaalsContact O-CB 3.22Å; V345-T363 WeakPolarHBondContact O-CB 3.14Å; V345-T363 PolarHBondContact O-OG1 2.98Å
346C92.4Very high87.4Confident0 Ų063.8 Ų63.80%035%0.353CS..  trans-59.9159.5175.877.30000111.9C320 Q327 F332 I348 C349 A350C320-C346 HydrophobicContact CB-CB 3.97Å; C320-C346 VanDerWaalsContact SG-CB 3.57Å; C320-C346 PolarHBondContact SG-N 3.47Å; Q327-C346 VanDerWaalsContact NE2-CB 3.26Å; F332-C346 HydrophobicContact CZ-CB 4.28Å; C346-I348 HydrophobicContact CB-CD1 4.48Å; C346-I348 PolarHBondContact O-N 3.46Å; C346-C349 PolarHBondContact O-N 2.76Å; C346-C349 VanDerWaalsContact O-N 3.11Å; C346-C349 PolarHBondContact SG-N 2.9Å; C346-A350 WeakPolarHBondContact O-CB 3.34Å; C346-A350 PolarHBondContact O-N 2.9Å
347E92.1Very high87.4Confident6 Ų660.1 Ų60.13%0.02834%0.338CS..THydrogen-bonded Turntrans-69.8-10-173.889.8-65.6175.600114K351 I367 Q368 R375E347-K351 WeakPolarHBondContact O-CG 3.38Å; E347-I367 HydrophobicContact CB-CD1 4.3Å; E347-I367 HydrophobicContact CB-CG1 4.41Å; E347-Q368 HydrophobicContact CB-CG 4.27Å; E347-R375 WeakPolarHBondContact OE1-CD 3.25Å; E347-R375 IonicContact OE1-CZ 2.75Å; E347-R375 IonicContact OE1-NE 3.68Å; E347-R375 IonicContact OE1-NH1 2.86Å; E347-R375 PolarHBondContact OE1-NH1 2.63Å
348I90.2Very high87.5Confident42 Ų4262.9 Ų62.922%0.21534%0.341CS..THydrogen-bonded Turntrans-85.3-51.1169.6-49.9100.5000110.2C346 A350 K351 L352C346-I348 HydrophobicContact CB-CD1 4.48Å; C346-I348 PolarHBondContact O-N 3.46Å; I348-A350 VanDerWaalsContact C-N 3.3Å; I348-A350 PolarHBondContact O-N 2.89Å; I348-K351 PolarHBondContact O-N 2.91Å; I348-L352 HydrophobicContact CG2-CD1 3.72Å; I348-L352 HydrophobicContact CG2-CG 4.16Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.01Å
349C91.2Very high87.5Confident9 Ų964.5 Ų64.56%0.06134%0.335CS..Hα-helixtrans-65.9-33.6179.4-66.80000111.8G322 C323 V345 C346 K351 L352 K353G322-C349 PolarHBondContact O-SG 2.87Å; C323-C349 VanDerWaalsContact SG-SG 3.64Å; V345-C349 HydrophobicContact CG1-CB 3.52Å; C346-C349 PolarHBondContact O-N 2.76Å; C346-C349 VanDerWaalsContact O-N 3.11Å; C346-C349 PolarHBondContact SG-N 2.9Å; C349-K351 PolarHBondContact O-N 2.93Å; C349-K351 VanDerWaalsContact O-N 3.12Å; C349-L352 PolarHBondContact O-N 3.1Å; C349-K353 CarbonylContact O-C 3.46Å; C349-K353 VanDerWaalsContact O-CA 3.31Å; C349-K353 WeakPolarHBondContact O-CA 3.37Å; C349-K353 WeakPolarHBondContact O-CB 3.16Å; C349-K353 PolarHBondContact O-N 2.81Å
350A90.3Very high87.4Confident7 Ų762.5 Ų62.56%0.05834%0.336CS..Hα-helixtrans-59.3-24.2172.200000113.1V345 C346 I348 L357 T363V345-A350 HydrophobicContact CG1-CB 4.18Å; V345-A350 VanDerWaalsContact CG1-N 3.34Å; C346-A350 WeakPolarHBondContact O-CB 3.34Å; C346-A350 PolarHBondContact O-N 2.9Å; I348-A350 VanDerWaalsContact C-N 3.3Å; I348-A350 PolarHBondContact O-N 2.89Å; A350-L357 HydrophobicContact CB-CD1 4.11Å; A350-L357 HydrophobicContact CB-CD2 4.09Å; A350-L357 HydrophobicContact CB-CG 4.49Å; A350-T363 HydrophobicContact CB-CG2 4.09Å
351K88.5Confident87.3Confident111 Ų11160.2 Ų60.248%0.48332%0.323SS..Hα-helixtrans-96-36.5175.7-66.1-173-179.4-1620113.9E347 I348 C349 Q368E347-K351 WeakPolarHBondContact O-CG 3.38Å; I348-K351 PolarHBondContact O-N 2.91Å; C349-K351 PolarHBondContact O-N 2.93Å; C349-K351 VanDerWaalsContact O-N 3.12Å; K351-Q368 WeakPolarHBondContact CE-O 3.21Å; K351-Q368 PolarHBondContact NZ-O 3.42Å
352L88.7Confident87.5Confident134 Ų13461.3 Ų61.370%0.70233%0.329SS*.Hα-helixtrans-85.6-25.6-177.8-64-177.1000113.6I348 C349I348-L352 HydrophobicContact CG2-CD1 3.72Å; I348-L352 HydrophobicContact CG2-CG 4.16Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.01Å; C349-L352 PolarHBondContact O-N 3.1Å
353K87.9Confident87.8Confident86 Ų8655.2 Ų55.237%0.37429%0.292SS..  trans-133.859.7-174.6-66.2-175.5175.5178.70110.7G322 C349 E355 L356G322-K353 PolarHBondContact O-NZ 2.86Å; C349-K353 CarbonylContact O-C 3.46Å; C349-K353 VanDerWaalsContact O-CA 3.31Å; C349-K353 WeakPolarHBondContact O-CA 3.37Å; C349-K353 WeakPolarHBondContact O-CB 3.16Å; C349-K353 PolarHBondContact O-N 2.81Å; K353-E355 VanDerWaalsContact CA-OE1 3.23Å; K353-E355 WeakPolarHBondContact CA-OE1 3.38Å; K353-E355 WeakPolarHBondContact CA-OE2 3.38Å; K353-E355 WeakPolarHBondContact CB-OE1 3.32Å; K353-E355 WeakPolarHBondContact CG-OE1 3.39Å; K353-E355 PolarHBondContact O-N 2.91Å; K353-E355 VanDerWaalsContact O-N 3.1Å; K353-L356 HydrophobicContact CB-CD1 3.68Å; K353-L356 HydrophobicContact CB-CG 3.95Å; K353-L356 HydrophobicContact CD-CD1 3.74Å; K353-L356 HydrophobicContact CD-CG 4.45Å; K353-L356 HydrophobicContact CG-CD1 4.39Å; K353-L356 WeakPolarHBondContact O-CB 3.45Å; K353-L356 PolarHBondContact O-N 2.93Å
354P86Confident87.9Confident71 Ų7154.2 Ų54.246%0.46129%0.285SS..Hα-helixtrans-61.2-18-176.527.8-36.7000113.8L356 L357 R358P354-L356 VanDerWaalsContact C-N 3.27Å; P354-L356 PolarHBondContact O-N 3.24Å; P354-L357 PolarHBondContact O-N 2.93Å; P354-R358 PolarHBondContact O-N 3.39Å
355E86.7Confident87.8Confident95 Ų9561.1 Ų61.144%0.44432%0.317SS..Hα-helixtrans-59.2-32170.365.1-74.7173.500113.6K353 L357 R358 T359K353-E355 VanDerWaalsContact CA-OE1 3.23Å; K353-E355 WeakPolarHBondContact CA-OE1 3.38Å; K353-E355 WeakPolarHBondContact CA-OE2 3.38Å; K353-E355 WeakPolarHBondContact CB-OE1 3.32Å; K353-E355 WeakPolarHBondContact CG-OE1 3.39Å; K353-E355 PolarHBondContact O-N 2.91Å; K353-E355 VanDerWaalsContact O-N 3.1Å; E355-L357 VanDerWaalsContact C-N 3.27Å; E355-L357 PolarHBondContact O-N 2.89Å; E355-R358 WeakPolarHBondContact O-CA 3.3Å; E355-R358 WeakPolarHBondContact O-CB 3.42Å; E355-R358 PolarHBondContact O-N 3.1Å; E355-T359 PolarHBondContact O-N 3.43Å; E355-T359 VanDerWaalsContact O-N 3.1Å; E355-T359 PolarHBondContact O-OG1 2.91Å
356L83.8Confident87.7Confident36 Ų3664.4 Ų64.419%0.18834%0.337CS..Hα-helixtrans-63.6-35.2176.8-63.7174.8000111.9V345 K353 P354 R358 T359 G361V345-L356 HydrophobicContact CG1-CB 4.39Å; V345-L356 HydrophobicContact CG1-CD1 4.07Å; V345-L356 HydrophobicContact CG2-CB 3.87Å; V345-L356 HydrophobicContact CG2-CD1 4.46Å; K353-L356 HydrophobicContact CB-CD1 3.68Å; K353-L356 HydrophobicContact CB-CG 3.95Å; K353-L356 HydrophobicContact CD-CD1 3.74Å; K353-L356 HydrophobicContact CD-CG 4.45Å; K353-L356 HydrophobicContact CG-CD1 4.39Å; K353-L356 WeakPolarHBondContact O-CB 3.45Å; K353-L356 PolarHBondContact O-N 2.93Å; P354-L356 VanDerWaalsContact C-N 3.27Å; P354-L356 PolarHBondContact O-N 3.24Å; L356-R358 VanDerWaalsContact C-N 3.29Å; L356-R358 PolarHBondContact O-N 3.19Å; L356-T359 WeakPolarHBondContact CA-OG1 3.16Å; L356-T359 PolarHBondContact O-N 2.79Å; L356-T359 PolarHBondContact O-OG1 2.88Å; L356-G361 WeakPolarHBondContact O-CA 3.38Å; L356-G361 PolarHBondContact O-N 3.5Å
357L85.4Confident87.7Confident57 Ų5764.4 Ų64.430%0.29834%0.337SS..Hα-helixtrans-68.4-33.1175-50.9-178000111.1V345 A350 P354 E355 T359 G360 G361 T363V345-L357 HydrophobicContact CB-CD2 3.97Å; V345-L357 HydrophobicContact CG1-CD2 4.32Å; V345-L357 HydrophobicContact CG2-CD2 4.05Å; A350-L357 HydrophobicContact CB-CD1 4.11Å; A350-L357 HydrophobicContact CB-CD2 4.09Å; A350-L357 HydrophobicContact CB-CG 4.49Å; P354-L357 PolarHBondContact O-N 2.93Å; E355-L357 VanDerWaalsContact C-N 3.27Å; E355-L357 PolarHBondContact O-N 2.89Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.12Å; L357-G360 PolarHBondContact O-N 3.36Å; L357-G361 WeakPolarHBondContact CA-O 3.23Å; L357-G361 VanDerWaalsContact CD2-O 3.27Å; L357-G361 WeakPolarHBondContact CD2-O 3.42Å; L357-T363 HydrophobicContact CD1-CG2 4.28Å; L357-T363 HydrophobicContact CD2-CG2 3.61Å
358R82.2Confident87.3Confident222 Ų22265.5 Ų65.584%0.83834%0.342SS*.Hα-helixtrans-73-21.9176.4-64179.559.9-145.9-6.7113.3P354 E355 L356 G360P354-R358 PolarHBondContact O-N 3.39Å; E355-R358 WeakPolarHBondContact O-CA 3.3Å; E355-R358 WeakPolarHBondContact O-CB 3.42Å; E355-R358 PolarHBondContact O-N 3.1Å; L356-R358 VanDerWaalsContact C-N 3.29Å; L356-R358 PolarHBondContact O-N 3.19Å; R358-G360 VanDerWaalsContact C-N 3.33Å
359T81.6Confident87Confident112 Ų11270.1 Ų70.169%0.68737%0.368SS*.THydrogen-bonded Turntrans-895.717450.20000113.7E355 L356 L357E355-T359 PolarHBondContact O-N 3.43Å; E355-T359 VanDerWaalsContact O-N 3.1Å; E355-T359 PolarHBondContact O-OG1 2.91Å; L356-T359 WeakPolarHBondContact CA-OG1 3.16Å; L356-T359 PolarHBondContact O-N 2.79Å; L356-T359 PolarHBondContact O-OG1 2.88Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.12Å
360G83.1Confident86.9Confident48 Ų4872.4 Ų72.450%0.49538%0.379SS..THydrogen-bonded Turntrans106.21.4178.300000114.9L357 R358 T362L357-G360 PolarHBondContact O-N 3.36Å; R358-G360 VanDerWaalsContact C-N 3.33Å; G360-T362 PolarHBondContact O-N 3.36Å
361G82.5Confident86.9Confident7 Ų774.9 Ų74.97%0.07240%0.396CS..  trans-63.7124.2176.600000112.4S343 L356 L357S343-G361 VanDerWaalsContact OG-CA 3.25Å; S343-G361 WeakPolarHBondContact OG-CA 3.49Å; L356-G361 WeakPolarHBondContact O-CA 3.38Å; L356-G361 PolarHBondContact O-N 3.5Å; L357-G361 WeakPolarHBondContact CA-O 3.23Å; L357-G361 VanDerWaalsContact CD2-O 3.27Å; L357-G361 WeakPolarHBondContact CD2-O 3.42Å
362T89.3Confident86.7Confident59 Ų5973.1 Ų73.136%0.36239%0.394SS..BIsolated β-bridgetrans-94.5156.9-179.764.20000111.6P341 S343 V345 G360P341-T362 HydrophobicContact CB-CG2 4.11Å; P341-T362 VanDerWaalsContact CB-OG1 3.3Å; P341-T362 WeakPolarHBondContact CB-OG1 3.29Å; P341-T362 WeakPolarHBondContact CG-OG1 3.41Å; S343-T362 PolarHBondContact O-N 2.92Å; S343-T362 PolarHBondContact O-OG1 2.8Å; V345-T362 PolarHBondContact N-O 2.81Å; G360-T362 PolarHBondContact O-N 3.36Å
363T90.6Very high86.7Confident28 Ų2872 Ų7217%0.17239%0.385CS..  trans-164.9155.6-175.5-172.30000109.6V345 A350 L357 E365 Q368V345-T363 VanDerWaalsContact O-CB 3.22Å; V345-T363 WeakPolarHBondContact O-CB 3.14Å; V345-T363 PolarHBondContact O-OG1 2.98Å; A350-T363 HydrophobicContact CB-CG2 4.09Å; L357-T363 HydrophobicContact CD1-CG2 4.28Å; L357-T363 HydrophobicContact CD2-CG2 3.61Å; T363-E365 PolarHBondContact O-N 2.89Å; T363-Q368 PolarHBondContact OG1-NE2 3.21Å
364D90.6Very high86.8Confident5 Ų568.6 Ų68.63%0.02737%0.373CS..  trans-89100.4177175.723000111.6F332 R333 T366 I367 R382F332-D364 HydrophobicContact CB-CB 4.44Å; F332-D364 HydrophobicContact CD1-CB 4.08Å; R333-D364 WeakPolarHBondContact CD-OD1 3.45Å; R333-D364 HydrophobicContact CG-CB 4.48Å; D364-T366 PolarHBondContact O-N 3.03Å; D364-T366 VanDerWaalsContact O-N 3.13Å; D364-T366 WeakPolarHBondContact OD1-CB 3.28Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.45Å; D364-T366 PolarHBondContact OD1-N 3.49Å; D364-T366 PolarHBondContact OD1-OG1 2.91Å; D364-T366 PolarHBondContact OD2-OG1 2.69Å; D364-I367 HydrophobicContact CB-CD1 4.39Å; D364-I367 HydrophobicContact CB-CG1 3.97Å; D364-I367 WeakPolarHBondContact O-CG1 3.23Å; D364-I367 PolarHBondContact O-N 3.45Å; D364-R382 IonicContact OD2-CZ 3.24Å; D364-R382 VanDerWaalsContact OD2-CZ 3.24Å; D364-R382 IonicContact OD2-NH1 2.66Å; D364-R382 PolarHBondContact OD2-NH1 3.38Å; D364-R382 IonicContact OD2-NH2 3.03Å; D364-R382 PolarHBondContact OD2-NH2 3.44Å
365E88.6Confident87.1Confident149 Ų14966.6 Ų66.670%0.69636%0.356SS*.Hα-helixtrans-50.8-34174.2-60.6-178171.300113T363 I367 Q368T363-E365 PolarHBondContact O-N 2.89Å; E365-I367 PolarHBondContact O-N 3.46Å; E365-Q368 PolarHBondContact O-N 3.17Å
366T90.1Very high87.4Confident68 Ų6866.6 Ų66.642%0.41736%0.355SS..Hα-helixtrans-69.1-18-173.670.90000113.5D364 L370 R382D364-T366 PolarHBondContact O-N 3.03Å; D364-T366 VanDerWaalsContact O-N 3.13Å; D364-T366 WeakPolarHBondContact OD1-CB 3.28Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.45Å; D364-T366 PolarHBondContact OD1-N 3.49Å; D364-T366 PolarHBondContact OD1-OG1 2.91Å; D364-T366 PolarHBondContact OD2-OG1 2.69Å; T366-L370 WeakPolarHBondContact O-CD1 3.43Å; T366-L370 WeakPolarHBondContact O-CG 3.34Å; T366-R382 PolarHBondContact OG1-NH2 3.03Å
367I92.4Very high87.8Confident0 Ų066.8 Ų66.80%036%0.361CS..Hα-helixtrans-104.2-14.9175.260.4164.5000114.3P307 F332 E347 D364 E365 N369 L370 R375 T378P307-I367 HydrophobicContact CB-CD1 4.27Å; P307-I367 HydrophobicContact CG-CD1 3.93Å; F332-I367 HydrophobicContact CD1-CD1 3.91Å; F332-I367 HydrophobicContact CE1-CD1 3.69Å; F332-I367 HydrophobicContact CZ-CD1 4.32Å; E347-I367 HydrophobicContact CB-CD1 4.3Å; E347-I367 HydrophobicContact CB-CG1 4.41Å; D364-I367 HydrophobicContact CB-CD1 4.39Å; D364-I367 HydrophobicContact CB-CG1 3.97Å; D364-I367 WeakPolarHBondContact O-CG1 3.23Å; D364-I367 PolarHBondContact O-N 3.45Å; E365-I367 PolarHBondContact O-N 3.46Å; I367-N369 PolarHBondContact O-N 2.91Å; I367-L370 HydrophobicContact CG2-CD1 4.27Å; I367-L370 PolarHBondContact O-N 2.74Å; I367-R375 HydrophobicContact CB-CG 4.12Å; I367-R375 PolarHBondContact O-NE 3.11Å; I367-T378 HydrophobicContact CG2-CG2 4.05Å
368Q84.2Confident88.2Confident29 Ų2965.5 Ų65.514%0.13636%0.356CS..Hα-helixtrans-61.5-46.1-179.6-70.8-176.61.800111.8E347 K351 T363 E365 L370E347-Q368 HydrophobicContact CB-CG 4.27Å; K351-Q368 WeakPolarHBondContact CE-O 3.21Å; K351-Q368 PolarHBondContact NZ-O 3.42Å; T363-Q368 PolarHBondContact OG1-NE2 3.21Å; E365-Q368 PolarHBondContact O-N 3.17Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 2.77Å
369N83.3Confident88.8Confident140 Ų14054.9 Ų54.975%0.74932%0.316SS*.THydrogen-bonded Turntrans-89.95.6-172.9-65.7-36.3000114.1I367I367-N369 PolarHBondContact O-N 2.91Å
370L89.5Confident89.5Confident56 Ų5650.2 Ų50.229%0.29329%0.286SS..SBendtrans-82.9152.3173-59.4-177.3000111.8T366 I367 Q368 A374 R375 T378T366-L370 WeakPolarHBondContact O-CD1 3.43Å; T366-L370 WeakPolarHBondContact O-CG 3.34Å; I367-L370 HydrophobicContact CG2-CD1 4.27Å; I367-L370 PolarHBondContact O-N 2.74Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 2.77Å; L370-A374 HydrophobicContact CB-CB 4.04Å; L370-A374 HydrophobicContact CD2-CB 4.42Å; L370-R375 HydrophobicContact CB-CB 4.14Å; L370-R375 PolarHBondContact O-NH2 2.95Å; L370-T378 HydrophobicContact CD1-CG2 4.42Å
371S89.8Confident90.1Very high59 Ų5948 Ų4841%0.41326%0.263SS..  trans-60.6167.8164.388.20000110.9E373 A374 R375S371-E373 WeakPolarHBondContact CB-OE2 3.43Å; S371-E373 PolarHBondContact O-N 2.85Å; S371-E373 PolarHBondContact OG-N 3.39Å; S371-E373 PolarHBondContact OG-OE2 3.06Å; S371-A374 PolarHBondContact OG-N 3.09Å; S371-A374 VanDerWaalsContact OG-N 3.17Å; S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.06Å
372V85.1Confident90.7Very high74 Ų7448 Ų4845%0.44826%0.261SS..Hα-helixtrans-63-34.2-179.8176.10000111K376V372-K376 HydrophobicContact CG1-CD 4.25Å; V372-K376 WeakPolarHBondContact O-CB 3.26Å; V372-K376 WeakPolarHBondContact O-CG 3.43Å; V372-K376 PolarHBondContact O-N 3.04Å
373E87.5Confident90.9Very high112 Ų11245.4 Ų45.452%0.52324%0.244SC..Hα-helixtrans-73.8-51.9-178.9-53.163.2-129.600110.2S371 R375 K376 A377S371-E373 WeakPolarHBondContact CB-OE2 3.43Å; S371-E373 PolarHBondContact O-N 2.85Å; S371-E373 PolarHBondContact OG-N 3.39Å; S371-E373 PolarHBondContact OG-OE2 3.06Å; E373-R375 VanDerWaalsContact C-N 3.26Å; E373-R375 PolarHBondContact O-N 2.75Å; E373-K376 PolarHBondContact O-N 2.94Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.07Å
374A90.3Very high91.2Very high13 Ų1344 Ų4411%0.10724%0.236CC..Hα-helixtrans-62-36.1177.100000111.6L370 S371 T378L370-A374 HydrophobicContact CB-CB 4.04Å; L370-A374 HydrophobicContact CD2-CB 4.42Å; S371-A374 PolarHBondContact OG-N 3.09Å; S371-A374 VanDerWaalsContact OG-N 3.17Å; A374-T378 VanDerWaalsContact O-CB 3.31Å; A374-T378 WeakPolarHBondContact O-CB 3.4Å; A374-T378 PolarHBondContact O-N 2.89Å; A374-T378 PolarHBondContact O-OG1 2.92Å
375R92.6Very high91.4Very high30 Ų3043.8 Ų43.811%0.11324%0.235CC..Hα-helixtrans-64.1-53.3172.8-176.3175.6-43.5137.919.7111.9P307 E347 I367 L370 S371 E373 A377 T378 C379P307-R375 HydrophobicContact CB-CG 3.82Å; E347-R375 WeakPolarHBondContact OE1-CD 3.25Å; E347-R375 IonicContact OE1-CZ 2.75Å; E347-R375 IonicContact OE1-NE 3.68Å; E347-R375 IonicContact OE1-NH1 2.86Å; E347-R375 PolarHBondContact OE1-NH1 2.63Å; I367-R375 HydrophobicContact CB-CG 4.12Å; I367-R375 PolarHBondContact O-NE 3.11Å; L370-R375 HydrophobicContact CB-CB 4.14Å; L370-R375 PolarHBondContact O-NH2 2.95Å; S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.06Å; E373-R375 VanDerWaalsContact C-N 3.26Å; E373-R375 PolarHBondContact O-N 2.75Å; R375-A377 VanDerWaalsContact C-N 3.33Å; R375-A377 PolarHBondContact O-N 3.18Å; R375-T378 PolarHBondContact O-N 3.13Å; R375-C379 WeakPolarHBondContact O-CB 3.36Å; R375-C379 PolarHBondContact O-N 3.05Å; R375-C379 PolarHBondContact O-SG 2.69Å
376K92.7Very high91.6Very high95 Ų9537.6 Ų37.641%0.41321%0.209SC..Hα-helixtrans-54-49.7175.8-77.5172.2178.2-179.50110.9V372 E373 T378 C379 L380V372-K376 HydrophobicContact CG1-CD 4.25Å; V372-K376 WeakPolarHBondContact O-CB 3.26Å; V372-K376 WeakPolarHBondContact O-CG 3.43Å; V372-K376 PolarHBondContact O-N 3.04Å; E373-K376 PolarHBondContact O-N 2.94Å; K376-T378 VanDerWaalsContact C-N 3.32Å; K376-T378 PolarHBondContact O-N 2.76Å; K376-C379 PolarHBondContact O-N 3.13Å; K376-L380 VanDerWaalsContact O-CB 3.29Å; K376-L380 WeakPolarHBondContact O-CB 3.46Å; K376-L380 VanDerWaalsContact O-CG 3.27Å; K376-L380 WeakPolarHBondContact O-CG 3.21Å; K376-L380 PolarHBondContact O-N 2.75Å
377A92.6Very high91.7Very high39 Ų3935.7 Ų35.732%0.32220%0.196SC..Hα-helixtrans-61.8-36.4179.600000113.3E373 R375 F381E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.07Å; R375-A377 VanDerWaalsContact C-N 3.33Å; R375-A377 PolarHBondContact O-N 3.18Å; A377-F381 WeakPolarHBondContact O-CB 3.17Å; A377-F381 PolarHBondContact O-N 3.4Å; A377-F381 VanDerWaalsContact O-N 3.09Å
378T94.3Very high91.8Very high30 Ų3035.7 Ų35.718%0.18420%0.196CC..Hα-helixtrans-70.5-48.4176.2-630000111.4I367 L370 A374 R375 K376 F381 R382I367-T378 HydrophobicContact CG2-CG2 4.05Å; L370-T378 HydrophobicContact CD1-CG2 4.42Å; A374-T378 VanDerWaalsContact O-CB 3.31Å; A374-T378 WeakPolarHBondContact O-CB 3.4Å; A374-T378 PolarHBondContact O-N 2.89Å; A374-T378 PolarHBondContact O-OG1 2.92Å; R375-T378 PolarHBondContact O-N 3.13Å; K376-T378 VanDerWaalsContact C-N 3.32Å; K376-T378 PolarHBondContact O-N 2.76Å; T378-F381 PolarHBondContact O-N 3.05Å; T378-R382 PolarHBondContact O-N 3.46Å
379C95.3Very high92.1Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-64.8-41.5-179.9-65.80000112.1C308 C331 R375 K376 R382 R383C308-C379 HydrophobicContact CB-CB 3.65Å; C331-C379 HydrophobicContact CB-CB 3.93Å; R375-C379 WeakPolarHBondContact O-CB 3.36Å; R375-C379 PolarHBondContact O-N 3.05Å; R375-C379 PolarHBondContact O-SG 2.69Å; K376-C379 PolarHBondContact O-N 3.13Å; C379-R382 PolarHBondContact O-N 3Å; C379-R383 PolarHBondContact O-N 3.13Å; C379-R383 VanDerWaalsContact O-N 3.1Å
380L94.9Very high92.4Very high14 Ų1435.9 Ų35.97%0.07320%0.198CC..Hα-helixtrans-64.7-41173.2-72.7174.9000112.1C308 V310 K376 R382 R383 V384 I405 V409 L413C308-L380 HydrophobicContact CB-CD2 3.96Å; C308-L380 HydrophobicContact CB-CG 4.13Å; V310-L380 HydrophobicContact CG2-CD2 3.99Å; K376-L380 VanDerWaalsContact O-CB 3.29Å; K376-L380 WeakPolarHBondContact O-CB 3.46Å; K376-L380 VanDerWaalsContact O-CG 3.27Å; K376-L380 WeakPolarHBondContact O-CG 3.21Å; K376-L380 PolarHBondContact O-N 2.75Å; L380-R382 PolarHBondContact O-N 3.04Å; L380-R383 PolarHBondContact O-N 2.81Å; L380-V384 WeakPolarHBondContact O-CG2 3.28Å; L380-V384 PolarHBondContact O-N 2.93Å; L380-I405 HydrophobicContact CD2-CG2 3.85Å; L380-V409 HydrophobicContact CD1-CG1 4.01Å; L380-L413 HydrophobicContact CB-CD1 4Å; L380-L413 HydrophobicContact CB-CD2 4.32Å
381F96.2Very high92.5Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-64.9-38.7177-167.8-114.3000112.2A377 T378 V384 L385 L413 R416 L417 E420 F448A377-F381 WeakPolarHBondContact O-CB 3.17Å; A377-F381 PolarHBondContact O-N 3.4Å; A377-F381 VanDerWaalsContact O-N 3.09Å; T378-F381 PolarHBondContact O-N 3.05Å; F381-V384 PolarHBondContact O-N 2.93Å; F381-L385 HydrophobicContact CD1-CD1 3.98Å; F381-L385 HydrophobicContact CD1-CG 4.27Å; F381-L385 HydrophobicContact CE1-CD1 3.82Å; F381-L385 HydrophobicContact CE1-CD2 4.07Å; F381-L385 HydrophobicContact CE1-CG 4.03Å; F381-L385 HydrophobicContact CZ-CD2 4Å; F381-L385 HydrophobicContact CZ-CG 4.32Å; F381-L385 WeakPolarHBondContact O-CG 3.35Å; F381-L385 PolarHBondContact O-N 2.82Å; F381-L413 HydrophobicContact CB-CD2 4.02Å; F381-L413 HydrophobicContact CD2-CD2 4.01Å; F381-R416 HydrophobicContact CD2-CB 4.23Å; F381-R416 HydrophobicContact CD2-CG 3.96Å; F381-R416 HydrophobicContact CE1-CG 4.48Å; F381-R416 HydrophobicContact CE2-CB 3.83Å; F381-R416 HydrophobicContact CE2-CG 3.54Å; F381-R416 HydrophobicContact CZ-CG 3.84Å; F381-L417 HydrophobicContact CE2-CD2 3.8Å; F381-L417 HydrophobicContact CE2-CG 4.16Å; F381-L417 HydrophobicContact CZ-CD2 4.09Å; F381-E420 HydrophobicContact CE1-CG 4.23Å; F381-E420 HydrophobicContact CZ-CB 4.3Å; F381-E420 HydrophobicContact CZ-CG 3.94Å; F381-F448 HydrophobicContact CD1-CD1 4.27Å; F381-F448 AromaticContact CD1-CE1 3.75Å; F381-F448 HydrophobicContact CD1-CE1 3.75Å; F381-F448 HydrophobicContact CD1-CE2 4.48Å; F381-F448 AromaticContact CD1-CZ 3.88Å; F381-F448 HydrophobicContact CD1-CZ 3.88Å; F381-F448 AromaticContact CE1-CE1 3.98Å; F381-F448 HydrophobicContact CE1-CE1 3.98Å; F381-F448 AromaticContact CE1-CE2 3.91Å; F381-F448 HydrophobicContact CE1-CE2 3.91Å; F381-F448 AromaticContact CE1-CZ 3.61Å; F381-F448 HydrophobicContact CE1-CZ 3.61Å
382R95.3Very high92.6Very high7 Ų739 Ų393%0.02621%0.208CC..Hα-helixtrans-58.9-45.7171.2-73.1-177.8-177.2143-1.6112.5V330 C331 D364 T366 T378 C379 L380 V384 L385 A386 F448 F449V330-R382 HydrophobicContact CG2-CB 4.15Å; V330-R382 VanDerWaalsContact O-CD 3.29Å; V330-R382 WeakPolarHBondContact O-CD 3.39Å; C331-R382 PolarHBondContact O-NH1 3.29Å; D364-R382 IonicContact OD2-CZ 3.24Å; D364-R382 VanDerWaalsContact OD2-CZ 3.24Å; D364-R382 IonicContact OD2-NH1 2.66Å; D364-R382 PolarHBondContact OD2-NH1 3.38Å; D364-R382 IonicContact OD2-NH2 3.03Å; D364-R382 PolarHBondContact OD2-NH2 3.44Å; T366-R382 PolarHBondContact OG1-NH2 3.03Å; T378-R382 PolarHBondContact O-N 3.46Å; C379-R382 PolarHBondContact O-N 3Å; L380-R382 PolarHBondContact O-N 3.04Å; R382-V384 VanDerWaalsContact C-N 3.3Å; R382-V384 PolarHBondContact O-N 2.99Å; R382-L385 PolarHBondContact O-N 2.8Å; R382-A386 PolarHBondContact O-N 2.83Å; R382-F448 PolarHBondContact NE-O 3.29Å; R382-F449 HydrophobicContact CB-CE1 3.87Å; R382-F449 HydrophobicContact CB-CZ 4Å; R382-F449 HydrophobicContact CG-CE1 3.89Å; R382-F449 HydrophobicContact CG-CZ 4.16Å
383R94.2Very high93Very high5 Ų536.4 Ų36.42%0.01919%0.193CC..Hα-helixtrans-59.6-38.7174.1-79.1174.667.1-138.3-1.2112.3D314 H328 V330 C379 L380 L387 L403D314-R383 IonicContact OD1-CZ 2.74Å; D314-R383 IonicContact OD1-NE 3.31Å; D314-R383 IonicContact OD1-NH2 3.81Å; D314-R383 PolarHBondContact OD1-NH2 2.86Å; D314-R383 IonicContact OD2-CZ 3.6Å; D314-R383 VanDerWaalsContact OD2-CZ 3.31Å; D314-R383 IonicContact OD2-NE 3.74Å; D314-R383 PolarHBondContact OD2-NE 2.98Å; D314-R383 IonicContact OD2-NH2 3.85Å; D314-R383 PolarHBondContact OD2-NH2 2.86Å; H328-R383 PolarHBondContact CE1-NE 2.82Å; H328-R383 WeakPolarHBondContact ND1-CD 2.97Å; V330-R383 HydrophobicContact CG1-CG 3.6Å; C379-R383 PolarHBondContact O-N 3.13Å; C379-R383 VanDerWaalsContact O-N 3.1Å; L380-R383 PolarHBondContact O-N 2.81Å; R383-L387 WeakPolarHBondContact O-CB 3.48Å; R383-L387 PolarHBondContact O-N 2.97Å; R383-L403 HydrophobicContact CB-CD1 3.79Å; R383-L403 HydrophobicContact CB-CD2 3.99Å; R383-L403 PolarHBondContact NH2-O 3.13Å
384V95Very high93.4Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-67.3-39.4174.5177.80000112.2L380 F381 R382 L387 C388 I399 L403 L413 L417L380-V384 WeakPolarHBondContact O-CG2 3.28Å; L380-V384 PolarHBondContact O-N 2.93Å; F381-V384 PolarHBondContact O-N 2.93Å; R382-V384 VanDerWaalsContact C-N 3.3Å; R382-V384 PolarHBondContact O-N 2.99Å; V384-L387 WeakPolarHBondContact O-CB 3.44Å; V384-L387 PolarHBondContact O-N 3.32Å; V384-C388 PolarHBondContact O-N 2.89Å; V384-C388 PolarHBondContact O-SG 2.97Å; V384-I399 HydrophobicContact CG1-CD1 4.12Å; V384-I399 HydrophobicContact CG1-CG1 4.49Å; V384-I399 HydrophobicContact CG2-CG2 3.76Å; V384-L403 HydrophobicContact CB-CD1 4.35Å; V384-L403 HydrophobicContact CG2-CD1 3.33Å; V384-L413 HydrophobicContact CG2-CB 4.03Å; V384-L413 HydrophobicContact CG2-CD1 3.78Å; V384-L413 HydrophobicContact CG2-CG 4.35Å; V384-L417 HydrophobicContact CG1-CD1 3.54Å; V384-L417 HydrophobicContact CG1-CD2 3.94Å; V384-L417 HydrophobicContact CG1-CG 3.88Å
385L95.5Very high93.6Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-62.5-45.5175.6-67.9173000111.5F381 R382 L387 C388 L389 L417 V422 L440 V444 F448 F449F381-L385 HydrophobicContact CD1-CD1 3.98Å; F381-L385 HydrophobicContact CD1-CG 4.27Å; F381-L385 HydrophobicContact CE1-CD1 3.82Å; F381-L385 HydrophobicContact CE1-CD2 4.07Å; F381-L385 HydrophobicContact CE1-CG 4.03Å; F381-L385 HydrophobicContact CZ-CD2 4Å; F381-L385 HydrophobicContact CZ-CG 4.32Å; F381-L385 WeakPolarHBondContact O-CG 3.35Å; F381-L385 PolarHBondContact O-N 2.82Å; R382-L385 PolarHBondContact O-N 2.8Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 2.93Å; L385-C388 PolarHBondContact O-N 3.29Å; L385-C388 VanDerWaalsContact O-N 3.13Å; L385-L389 PolarHBondContact O-N 2.88Å; L385-L417 HydrophobicContact CD2-CD2 3.89Å; L385-V422 HydrophobicContact CD2-CG1 4.44Å; L385-V422 HydrophobicContact CD2-CG2 3.88Å; L385-L440 HydrophobicContact CB-CD1 4.37Å; L385-L440 HydrophobicContact CD2-CD1 3.75Å; L385-V444 HydrophobicContact CD1-CG1 4.05Å; L385-V444 HydrophobicContact CD2-CG1 3.72Å; L385-F448 HydrophobicContact CD1-CB 3.73Å; L385-F448 HydrophobicContact CD1-CD1 4.13Å; L385-F448 HydrophobicContact CD1-CD2 3.54Å; L385-F448 HydrophobicContact CD1-CE2 4.21Å; L385-F448 HydrophobicContact CD1-CG 3.5Å; L385-F448 VanDerWaalsContact CD1-CG 3.5Å; L385-F449 HydrophobicContact CB-CE2 4.1Å; L385-F449 HydrophobicContact CB-CZ 4.2Å; L385-F449 HydrophobicContact CD1-CE2 4.26Å
386A92.9Very high93.6Very high19 Ų1930.5 Ų30.516%0.15717%0.168CC..Hα-helixtrans-66-33.1176.400000113.1V330 L335 R382 C388 L389 N390V330-A386 HydrophobicContact CG2-CB 3.72Å; L335-A386 HydrophobicContact CD2-CB 4Å; R382-A386 PolarHBondContact O-N 2.83Å; A386-C388 VanDerWaalsContact C-N 3.34Å; A386-L389 PolarHBondContact O-N 3.43Å; A386-N390 PolarHBondContact O-ND2 3.23Å
387L92.8Very high93.6Very high28 Ų2828.1 Ų28.115%0.14717%0.166CC..Hα-helixtrans-62.7-40.2170.3-179.364.4000111.6R383 V384 L385 L389 N390 E391 F398 I399 L403R383-L387 WeakPolarHBondContact O-CB 3.48Å; R383-L387 PolarHBondContact O-N 2.97Å; V384-L387 WeakPolarHBondContact O-CB 3.44Å; V384-L387 PolarHBondContact O-N 3.32Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 2.93Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.36Å; L387-N390 PolarHBondContact O-N 3Å; L387-E391 WeakPolarHBondContact O-CG 3.49Å; L387-F398 HydrophobicContact CD1-CE1 3.76Å; L387-F398 HydrophobicContact CD1-CZ 3.9Å; L387-F398 HydrophobicContact CD2-CD1 4.21Å; L387-F398 HydrophobicContact CD2-CE1 3.72Å; L387-F398 HydrophobicContact CG-CE1 3.76Å; L387-F398 HydrophobicContact CG-CZ 4.42Å; L387-I399 HydrophobicContact CD2-CG1 4.28Å; L387-L403 HydrophobicContact CD2-CD2 4.28Å; L387-L403 HydrophobicContact CD2-CG 4.26Å
388C94Very high93.5Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-69.8-25179.6-64.10000113.7V384 L385 A386 N390 E391 V422 V435 L440V384-C388 PolarHBondContact O-N 2.89Å; V384-C388 PolarHBondContact O-SG 2.97Å; L385-C388 PolarHBondContact O-N 3.29Å; L385-C388 VanDerWaalsContact O-N 3.13Å; A386-C388 VanDerWaalsContact C-N 3.34Å; C388-N390 PolarHBondContact O-N 3.22Å; C388-E391 PolarHBondContact O-N 3.38Å; C388-E391 VanDerWaalsContact O-O 3.14Å; C388-V422 HydrophobicContact CB-CG1 4.43Å; C388-V435 HydrophobicContact CB-CG1 3.98Å; C388-V435 HydrophobicContact CB-CG2 4.05Å; C388-L440 HydrophobicContact CB-CD2 3.53Å
389L91.1Very high93.5Very high42 Ų4226.6 Ų26.622%0.2215%0.15CC..Hα-helixtrans-60.5-35174.3-69.1171.6000111.9L335 L385 A386 L387 K437 L440 E441L335-L389 HydrophobicContact CD2-CD1 4.37Å; L385-L389 PolarHBondContact O-N 2.88Å; A386-L389 PolarHBondContact O-N 3.43Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.36Å; L389-K437 WeakPolarHBondContact O-CE 3.47Å; L389-L440 HydrophobicContact CD2-CD2 3.8Å; L389-L440 HydrophobicContact CD2-CG 3.78Å; L389-L440 HydrophobicContact CG-CD2 4.1Å; L389-L440 HydrophobicContact CG-CG 4.43Å; L389-E441 HydrophobicContact CD2-CG 3.56Å
390N88.8Confident93.4Very high131 Ų13127.1 Ų27.170%0.70115%0.154SC*.THydrogen-bonded Turntrans-90.5-7.8-173.1-65.7-75.5000114A386 L387 C388A386-N390 PolarHBondContact O-ND2 3.23Å; L387-N390 PolarHBondContact O-N 3Å; C388-N390 PolarHBondContact O-N 3.22Å
391E91.5Very high93.1Very high71 Ų7134.2 Ų34.233%0.33218%0.18SC..  trans-128.6131.1-166.7-66.6-74.4173.700110.6L387 C388 S393 V394 F398 V435 K437L387-E391 WeakPolarHBondContact O-CG 3.49Å; C388-E391 PolarHBondContact O-N 3.38Å; C388-E391 VanDerWaalsContact O-O 3.14Å; E391-S393 VanDerWaalsContact C-N 3.27Å; E391-S393 PolarHBondContact O-N 2.94Å; E391-V394 HydrophobicContact CB-CG1 4.12Å; E391-F398 VanDerWaalsContact CD-CZ 3.44Å; E391-F398 HydrophobicContact CG-CE1 3.79Å; E391-F398 HydrophobicContact CG-CZ 3.65Å; E391-F398 VanDerWaalsContact OE1-CZ 3.24Å; E391-F398 WeakPolarHBondContact OE1-CZ 3.07Å; E391-V435 VanDerWaalsContact O-CG2 3.26Å; E391-V435 WeakPolarHBondContact O-CG2 3.35Å; E391-K437 WeakPolarHBondContact O-CE 3.49Å
392D92.4Very high92.8Very high110 Ų11035.7 Ų35.759%0.58819%0.19SC*.SBendtrans-73.4-22.1179-60.9-47.8000112.8L434 V435 K437D392-L434 WeakPolarHBondContact O-CA 3.41Å; D392-V435 PolarHBondContact O-N 3.3Å; D392-K437 WeakPolarHBondContact OD1-CE 3.4Å; D392-K437 IonicContact OD1-NZ 2.69Å; D392-K437 PolarHBondContact OD1-NZ 2.92Å
393S93.5Very high92.5Very high19 Ų1935.6 Ų35.613%0.13319%0.19CC..EExtended strand (participates in β ladder)trans-153.8141.2179.364.90000112.1E391 P428 K433E391-S393 VanDerWaalsContact C-N 3.27Å; E391-S393 PolarHBondContact O-N 2.94Å; S393-P428 WeakPolarHBondContact OG-CD 3.43Å; S393-K433 CarbonylContact C-O 3.6Å; S393-K433 WeakPolarHBondContact CA-O 3.34Å; S393-K433 WeakPolarHBondContact CB-O 3.34Å
394V94.8Very high92.1Very high0 Ų036.3 Ų36.30%020%0.199CC..EExtended strand (participates in β ladder)trans-126.3157.3179.9-62.80000111.8E391 F398 I399 F414 L417 I423 E432 K433 V435E391-V394 HydrophobicContact CB-CG1 4.12Å; V394-F398 HydrophobicContact CB-CD1 4.18Å; V394-F398 HydrophobicContact CG1-CD1 3.95Å; V394-F398 HydrophobicContact CG1-CE1 4.03Å; V394-I399 HydrophobicContact CB-CD1 4.39Å; V394-I399 HydrophobicContact CB-CG1 4.41Å; V394-I399 HydrophobicContact CG2-CD1 4.32Å; V394-F414 HydrophobicContact CG2-CD2 4.46Å; V394-F414 HydrophobicContact CG2-CE2 4.4Å; V394-F414 WeakPolarHBondContact O-CE2 3.44Å; V394-L417 HydrophobicContact CG2-CD1 4.15Å; V394-I423 HydrophobicContact CG2-CD1 4.06Å; V394-I423 HydrophobicContact CG2-CG2 3.85Å; V394-E432 CarbonylContact O-C 3.57Å; V394-E432 VanDerWaalsContact O-CA 3.25Å; V394-E432 WeakPolarHBondContact O-CA 3.37Å; V394-K433 PolarHBondContact N-O 3.49Å; V394-K433 PolarHBondContact O-N 2.94Å; V394-V435 HydrophobicContact CG1-CG2 4.25Å; V394-V435 HydrophobicContact CG2-CG2 4.4Å
395S94.5Very high91.9Very high16 Ų1637 Ų3711%0.11220%0.202CC..  trans-136162.6170.860.80000110.6A397 F398 I399 G431S395-A397 VanDerWaalsContact C-N 3.27Å; S395-A397 PolarHBondContact O-N 3.06Å; S395-F398 WeakPolarHBondContact O-CB 3.48Å; S395-F398 PolarHBondContact O-N 3Å; S395-F398 VanDerWaalsContact O-N 3.1Å; S395-F398 WeakPolarHBondContact OG-CB 3.44Å; S395-F398 PolarHBondContact OG-N 2.95Å; S395-I399 WeakPolarHBondContact O-CG1 3.48Å; S395-I399 PolarHBondContact O-N 2.88Å; S395-G431 WeakPolarHBondContact CB-O 3.25Å
396P93.9Very high91.6Very high14 Ų1443 Ų439%0.09123%0.23CC..Hα-helixtrans-57.4-37.9176-24.734.3000113.2F398 I399 A400 Y407 A410 R411 F414P396-F398 VanDerWaalsContact C-N 3.34Å; P396-I399 PolarHBondContact O-N 3.3Å; P396-A400 WeakPolarHBondContact O-CB 3.48Å; P396-A400 PolarHBondContact O-N 3.43Å; P396-Y407 HydrophobicContact CB-CD2 4.23Å; P396-Y407 HydrophobicContact CB-CE2 3.64Å; P396-A410 WeakPolarHBondContact O-CB 3.41Å; P396-R411 HydrophobicContact CB-CB 4.21Å; P396-F414 HydrophobicContact CG-CB 3.98Å; P396-F414 HydrophobicContact CG-CD1 3.68Å; P396-F414 HydrophobicContact CG-CD2 4.05Å; P396-F414 HydrophobicContact CG-CE1 4.05Å; P396-F414 HydrophobicContact CG-CE2 4.41Å; P396-F414 HydrophobicContact CG-CG 3.66Å; P396-F414 HydrophobicContact CG-CZ 4.4Å
397A91.8Very high91.5Very high46 Ų4647.8 Ų47.838%0.3825%0.245SC..Hα-helixtrans-74.2-22.7178.300000113.6S395 R401 Y407S395-A397 VanDerWaalsContact C-N 3.27Å; S395-A397 PolarHBondContact O-N 3.06Å; A397-R401 PolarHBondContact O-NE 3.27Å; A397-Y407 HydrophobicContact CB-CD2 4.43Å; A397-Y407 HydrophobicContact CB-CE2 4.1Å
398F92Very high91.4Very high37 Ų3750.5 Ų50.516%0.16226%0.263CS..Hα-helixtrans-73.8-53.1167.4175.3-100.9000110.5L387 E391 V394 S395 P396 A400 R401 S402L387-F398 HydrophobicContact CD1-CE1 3.76Å; L387-F398 HydrophobicContact CD1-CZ 3.9Å; L387-F398 HydrophobicContact CD2-CD1 4.21Å; L387-F398 HydrophobicContact CD2-CE1 3.72Å; L387-F398 HydrophobicContact CG-CE1 3.76Å; L387-F398 HydrophobicContact CG-CZ 4.42Å; E391-F398 VanDerWaalsContact CD-CZ 3.44Å; E391-F398 HydrophobicContact CG-CE1 3.79Å; E391-F398 HydrophobicContact CG-CZ 3.65Å; E391-F398 VanDerWaalsContact OE1-CZ 3.24Å; E391-F398 WeakPolarHBondContact OE1-CZ 3.07Å; V394-F398 HydrophobicContact CB-CD1 4.18Å; V394-F398 HydrophobicContact CG1-CD1 3.95Å; V394-F398 HydrophobicContact CG1-CE1 4.03Å; S395-F398 WeakPolarHBondContact O-CB 3.48Å; S395-F398 PolarHBondContact O-N 3Å; S395-F398 VanDerWaalsContact O-N 3.1Å; S395-F398 WeakPolarHBondContact OG-CB 3.44Å; S395-F398 PolarHBondContact OG-N 2.95Å; P396-F398 VanDerWaalsContact C-N 3.34Å; F398-A400 VanDerWaalsContact C-N 3.29Å; F398-A400 PolarHBondContact O-N 2.99Å; F398-R401 PolarHBondContact O-N 3.38Å; F398-S402 VanDerWaalsContact CE2-OG 3.29Å; F398-S402 WeakPolarHBondContact CE2-OG 3.38Å; F398-S402 VanDerWaalsContact CZ-OG 3.27Å; F398-S402 WeakPolarHBondContact CZ-OG 3.41Å; F398-S402 WeakPolarHBondContact O-CB 3.32Å; F398-S402 PolarHBondContact O-N 2.79Å; F398-S402 PolarHBondContact O-OG 3.31Å; F398-S402 VanDerWaalsContact O-OG 3.11Å
399I93.2Very high91.3Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-55.3-42.9-179.7-68.1166.4000111.8V384 L387 V394 S395 P396 L403 I405 A410 F414 L417V384-I399 HydrophobicContact CG1-CD1 4.12Å; V384-I399 HydrophobicContact CG1-CG1 4.49Å; V384-I399 HydrophobicContact CG2-CG2 3.76Å; L387-I399 HydrophobicContact CD2-CG1 4.28Å; V394-I399 HydrophobicContact CB-CD1 4.39Å; V394-I399 HydrophobicContact CB-CG1 4.41Å; V394-I399 HydrophobicContact CG2-CD1 4.32Å; S395-I399 WeakPolarHBondContact O-CG1 3.48Å; S395-I399 PolarHBondContact O-N 2.88Å; P396-I399 PolarHBondContact O-N 3.3Å; I399-L403 HydrophobicContact CG2-CD1 4.49Å; I399-L403 PolarHBondContact O-N 2.69Å; I399-I405 HydrophobicContact CG2-CD1 4.28Å; I399-A410 HydrophobicContact CB-CB 4.16Å; I399-A410 HydrophobicContact CG2-CB 3.86Å; I399-F414 HydrophobicContact CD1-CB 4.09Å; I399-F414 HydrophobicContact CD1-CD2 3.96Å; I399-L417 HydrophobicContact CD1-CD1 4.04Å
400A92.1Very high91.4Very high11 Ų1151.3 Ų51.39%0.09127%0.27CS..Hα-helixtrans-55.8-54177.600000112.6P396 F398 G404 I405 A410P396-A400 WeakPolarHBondContact O-CB 3.48Å; P396-A400 PolarHBondContact O-N 3.43Å; F398-A400 VanDerWaalsContact C-N 3.29Å; F398-A400 PolarHBondContact O-N 2.99Å; A400-G404 WeakPolarHBondContact O-CA 3.44Å; A400-G404 PolarHBondContact O-N 3.05Å; A400-I405 WeakPolarHBondContact CA-O 3.18Å; A400-I405 WeakPolarHBondContact CB-O 3.47Å; A400-I405 PolarHBondContact O-N 3.44Å; A400-A410 HydrophobicContact CB-CB 3.7Å
401R89.2Confident91.6Very high163 Ų16351.5 Ų51.562%0.61526%0.261SS*.Hα-helixtrans-70.1-43.3-178.1-65.5-178-63.4149.44.6112.2K312 A397 F398 L403 G404K312-R401 PolarHBondContact NZ-O 3.46Å; A397-R401 PolarHBondContact O-NE 3.27Å; F398-R401 PolarHBondContact O-N 3.38Å; R401-L403 PolarHBondContact O-N 3.39Å; R401-G404 PolarHBondContact O-N 3.39Å
402S89.4Confident91.8Very high31 Ų3149.6 Ų49.622%0.21726%0.26CS..Hα-helixtrans-61-45.3-179.5-63.70000111.5K312 F398K312-S402 PolarHBondContact NZ-O 3.13Å; F398-S402 VanDerWaalsContact CE2-OG 3.29Å; F398-S402 WeakPolarHBondContact CE2-OG 3.38Å; F398-S402 VanDerWaalsContact CZ-OG 3.27Å; F398-S402 WeakPolarHBondContact CZ-OG 3.41Å; F398-S402 WeakPolarHBondContact O-CB 3.32Å; F398-S402 PolarHBondContact O-N 2.79Å; F398-S402 PolarHBondContact O-OG 3.31Å; F398-S402 VanDerWaalsContact O-OG 3.11Å
403L89.7Confident92Very high5 Ų544.9 Ų44.93%0.02623%0.234CC..Hα-helixtrans-91.8-7.5-179.8-59.9-167000115.4R383 V384 L387 I399 R401 I405R383-L403 HydrophobicContact CB-CD1 3.79Å; R383-L403 HydrophobicContact CB-CD2 3.99Å; R383-L403 PolarHBondContact NH2-O 3.13Å; V384-L403 HydrophobicContact CB-CD1 4.35Å; V384-L403 HydrophobicContact CG2-CD1 3.33Å; L387-L403 HydrophobicContact CD2-CD2 4.28Å; L387-L403 HydrophobicContact CD2-CG 4.26Å; I399-L403 HydrophobicContact CG2-CD1 4.49Å; I399-L403 PolarHBondContact O-N 2.69Å; R401-L403 PolarHBondContact O-N 3.39Å; L403-I405 HydrophobicContact CB-CD1 4.24Å; L403-I405 HydrophobicContact CB-CG1 4.21Å; L403-I405 HydrophobicContact CB-CG2 4.38Å; L403-I405 HydrophobicContact CD1-CD1 4.42Å
404G86.9Confident92.1Very high20 Ų2044.9 Ų44.921%0.20623%0.232CC..THydrogen-bonded Turntrans6843.7-177.300000113.2A400 R401A400-G404 WeakPolarHBondContact O-CA 3.44Å; A400-G404 PolarHBondContact O-N 3.05Å; R401-G404 PolarHBondContact O-N 3.39Å
405I90.4Very high92.1Very high13 Ų1349 Ų497%0.06725%0.254CS..  trans-125.4157.6-178.761.5179.3000111.5V310 L380 I399 A400 L403 V409 A410 L413V310-I405 HydrophobicContact CG2-CG2 3.62Å; L380-I405 HydrophobicContact CD2-CG2 3.85Å; I399-I405 HydrophobicContact CG2-CD1 4.28Å; A400-I405 WeakPolarHBondContact CA-O 3.18Å; A400-I405 WeakPolarHBondContact CB-O 3.47Å; A400-I405 PolarHBondContact O-N 3.44Å; L403-I405 HydrophobicContact CB-CD1 4.24Å; L403-I405 HydrophobicContact CB-CG1 4.21Å; L403-I405 HydrophobicContact CB-CG2 4.38Å; L403-I405 HydrophobicContact CD1-CD1 4.42Å; I405-V409 HydrophobicContact CD1-CB 4.5Å; I405-V409 HydrophobicContact CD1-CG1 4.19Å; I405-A410 HydrophobicContact CD1-CB 4.13Å; I405-A410 HydrophobicContact CG1-CB 4.2Å; I405-L413 HydrophobicContact CD1-CD1 3.55Å
406E89.2Confident92.1Very high127 Ų12752.1 Ų52.159%0.59326%0.263SS*.  trans-57.7146.5175-63-178.1-175.500112.6T408 V409 A410E406-T408 VanDerWaalsContact CB-OG1 3.26Å; E406-T408 WeakPolarHBondContact CB-OG1 3.44Å; E406-T408 PolarHBondContact O-N 3Å; E406-T408 PolarHBondContact OE2-OG1 3.4Å; E406-V409 HydrophobicContact CB-CG2 4.28Å; E406-V409 PolarHBondContact O-N 3.49Å; E406-V409 VanDerWaalsContact O-N 3.14Å; E406-A410 PolarHBondContact O-N 3.26Å
407Y89.9Confident92.2Very high120 Ų12051.4 Ų51.447%0.47126%0.259SS..Hα-helixtrans-60.4-31.3178.6179.7-103.5000113.4P396 A397 R411P396-Y407 HydrophobicContact CB-CD2 4.23Å; P396-Y407 HydrophobicContact CB-CE2 3.64Å; A397-Y407 HydrophobicContact CB-CD2 4.43Å; A397-Y407 HydrophobicContact CB-CE2 4.1Å; Y407-R411 VanDerWaalsContact O-CB 3.22Å; Y407-R411 WeakPolarHBondContact O-CB 3.47Å; Y407-R411 PolarHBondContact O-N 3.37Å
408T91.2Very high92.4Very high84 Ų8452 Ų5252%0.51526%0.255SS..Hα-helixtrans-56.3-55.8170.845.50000111.3E406 R411 G412E406-T408 VanDerWaalsContact CB-OG1 3.26Å; E406-T408 WeakPolarHBondContact CB-OG1 3.44Å; E406-T408 PolarHBondContact O-N 3Å; E406-T408 PolarHBondContact OE2-OG1 3.4Å; T408-R411 PolarHBondContact O-N 2.88Å; T408-G412 PolarHBondContact O-N 2.94Å
409V91Very high92.5Very high60 Ų6057.9 Ų57.936%0.36428%0.281SS..Hα-helixtrans-64.4-43.4178.6-175.40000110.7L380 I405 E406 R411 G412 L413L380-V409 HydrophobicContact CD1-CG1 4.01Å; I405-V409 HydrophobicContact CD1-CB 4.5Å; I405-V409 HydrophobicContact CD1-CG1 4.19Å; E406-V409 HydrophobicContact CB-CG2 4.28Å; E406-V409 PolarHBondContact O-N 3.49Å; E406-V409 VanDerWaalsContact O-N 3.14Å; V409-R411 VanDerWaalsContact C-N 3.33Å; V409-R411 PolarHBondContact O-N 3.21Å; V409-G412 PolarHBondContact O-N 2.56Å; V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 WeakPolarHBondContact O-CG 3.47Å; V409-L413 PolarHBondContact O-N 2.76Å
410A94.2Very high92.5Very high0 Ų059.9 Ų59.90%029%0.29CS..Hα-helixtrans-60.7-38.8176.200000112.8P396 I399 A400 I405 E406 L413 F414P396-A410 WeakPolarHBondContact O-CB 3.41Å; I399-A410 HydrophobicContact CB-CB 4.16Å; I399-A410 HydrophobicContact CG2-CB 3.86Å; A400-A410 HydrophobicContact CB-CB 3.7Å; I405-A410 HydrophobicContact CD1-CB 4.13Å; I405-A410 HydrophobicContact CG1-CB 4.2Å; E406-A410 PolarHBondContact O-N 3.26Å; A410-L413 PolarHBondContact O-N 3.19Å; A410-F414 VanDerWaalsContact O-CB 3.3Å; A410-F414 WeakPolarHBondContact O-CB 3.17Å; A410-F414 PolarHBondContact O-N 3.38Å
411R93.9Very high92.5Very high135 Ų13564 Ų6451%0.50931%0.307SS..Hα-helixtrans-68.3-37.8174.5-174.7176.8177123.2-7.9111.9P396 Y407 T408 V409 F414 N415P396-R411 HydrophobicContact CB-CB 4.21Å; Y407-R411 VanDerWaalsContact O-CB 3.22Å; Y407-R411 WeakPolarHBondContact O-CB 3.47Å; Y407-R411 PolarHBondContact O-N 3.37Å; T408-R411 PolarHBondContact O-N 2.88Å; V409-R411 VanDerWaalsContact C-N 3.33Å; V409-R411 PolarHBondContact O-N 3.21Å; R411-F414 PolarHBondContact O-N 2.85Å; R411-N415 WeakPolarHBondContact O-CB 3.46Å; R411-N415 VanDerWaalsContact O-CG 3.26Å; R411-N415 PolarHBondContact O-N 3.37Å
412G94.4Very high92.7Very high30 Ų3056.2 Ų56.231%0.30928%0.278SS..Hα-helixtrans-60.5-46.2170.800000112.5T408 V409 N415 R416T408-G412 PolarHBondContact O-N 2.94Å; V409-G412 PolarHBondContact O-N 2.56Å; G412-N415 PolarHBondContact O-N 3.47Å; G412-R416 PolarHBondContact O-N 3.34Å
413L96Very high93Very high12 Ų1254.8 Ų54.86%0.06327%0.268CS..Hα-helixtrans-66.5-39.2177.1-65.5164.3000112.2L380 F381 V384 I405 V409 A410 R416 L417L380-L413 HydrophobicContact CB-CD1 4Å; L380-L413 HydrophobicContact CB-CD2 4.32Å; F381-L413 HydrophobicContact CB-CD2 4.02Å; F381-L413 HydrophobicContact CD2-CD2 4.01Å; V384-L413 HydrophobicContact CG2-CB 4.03Å; V384-L413 HydrophobicContact CG2-CD1 3.78Å; V384-L413 HydrophobicContact CG2-CG 4.35Å; I405-L413 HydrophobicContact CD1-CD1 3.55Å; V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 WeakPolarHBondContact O-CG 3.47Å; V409-L413 PolarHBondContact O-N 2.76Å; A410-L413 PolarHBondContact O-N 3.19Å; L413-R416 CarbonylContact O-C 3.59Å; L413-R416 WeakPolarHBondContact O-CA 3.4Å; L413-R416 WeakPolarHBondContact O-CB 3.38Å; L413-R416 PolarHBondContact O-N 2.92Å; L413-R416 VanDerWaalsContact O-N 3.15Å; L413-L417 PolarHBondContact O-N 2.78Å
414F96.3Very high93Very high18 Ų1857.8 Ų57.88%0.07928%0.281CS..Hα-helixtrans-61.5-43.1173.2-177.8-97.7000112.3V394 P396 I399 A410 R411 R416 L417 I418 I423 K433V394-F414 HydrophobicContact CG2-CD2 4.46Å; V394-F414 HydrophobicContact CG2-CE2 4.4Å; V394-F414 WeakPolarHBondContact O-CE2 3.44Å; P396-F414 HydrophobicContact CG-CB 3.98Å; P396-F414 HydrophobicContact CG-CD1 3.68Å; P396-F414 HydrophobicContact CG-CD2 4.05Å; P396-F414 HydrophobicContact CG-CE1 4.05Å; P396-F414 HydrophobicContact CG-CE2 4.41Å; P396-F414 HydrophobicContact CG-CG 3.66Å; P396-F414 HydrophobicContact CG-CZ 4.4Å; I399-F414 HydrophobicContact CD1-CB 4.09Å; I399-F414 HydrophobicContact CD1-CD2 3.96Å; A410-F414 VanDerWaalsContact O-CB 3.3Å; A410-F414 WeakPolarHBondContact O-CB 3.17Å; A410-F414 PolarHBondContact O-N 3.38Å; R411-F414 PolarHBondContact O-N 2.85Å; F414-R416 VanDerWaalsContact C-N 3.29Å; F414-R416 PolarHBondContact O-N 3.02Å; F414-L417 WeakPolarHBondContact O-CB 3.46Å; F414-L417 PolarHBondContact O-N 2.92Å; F414-I418 HydrophobicContact CD1-CD1 3.94Å; F414-I418 HydrophobicContact CE1-CD1 3.77Å; F414-I418 WeakPolarHBondContact O-CG1 3.43Å; F414-I418 PolarHBondContact O-N 2.92Å; F414-I418 VanDerWaalsContact O-N 3.16Å; F414-I423 HydrophobicContact CD2-CD1 3.41Å; F414-I423 VanDerWaalsContact CD2-CD1 3.41Å; F414-I423 HydrophobicContact CE1-CD1 4.47Å; F414-I423 HydrophobicContact CE2-CD1 3.31Å; F414-I423 HydrophobicContact CG-CD1 4.06Å; F414-I423 HydrophobicContact CZ-CD1 3.91Å; F414-K433 HydrophobicContact CZ-CB 4.36Å; F414-K433 HydrophobicContact CZ-CD 4.12Å; F414-K433 HydrophobicContact CZ-CG 3.97Å
415N95.2Very high93.1Very high88 Ų8859.6 Ų59.647%0.47130%0.299SS..Hα-helixtrans-63-36.3172.7-71.4-10.6000111.7R411 G412 I418 K419R411-N415 WeakPolarHBondContact O-CB 3.46Å; R411-N415 VanDerWaalsContact O-CG 3.26Å; R411-N415 PolarHBondContact O-N 3.37Å; G412-N415 PolarHBondContact O-N 3.47Å; N415-I418 PolarHBondContact O-N 3.32Å; N415-K419 PolarHBondContact O-N 2.83Å
416R94.8Very high92.9Very high80 Ų8062.8 Ų62.830%0.30233%0.327SS..Hα-helixtrans-67.3-37.6174.2-170.1177.3172.4-1801.8112.7F381 G412 L413 F414 I418 K419 E420F381-R416 HydrophobicContact CD2-CB 4.23Å; F381-R416 HydrophobicContact CD2-CG 3.96Å; F381-R416 HydrophobicContact CE1-CG 4.48Å; F381-R416 HydrophobicContact CE2-CB 3.83Å; F381-R416 HydrophobicContact CE2-CG 3.54Å; F381-R416 HydrophobicContact CZ-CG 3.84Å; G412-R416 PolarHBondContact O-N 3.34Å; L413-R416 CarbonylContact O-C 3.59Å; L413-R416 WeakPolarHBondContact O-CA 3.4Å; L413-R416 WeakPolarHBondContact O-CB 3.38Å; L413-R416 PolarHBondContact O-N 2.92Å; L413-R416 VanDerWaalsContact O-N 3.15Å; F414-R416 VanDerWaalsContact C-N 3.29Å; F414-R416 PolarHBondContact O-N 3.02Å; R416-I418 VanDerWaalsContact C-N 3.28Å; R416-I418 PolarHBondContact O-N 2.94Å; R416-K419 PolarHBondContact O-N 2.75Å; R416-E420 HydrophobicContact CG-CG 4.44Å; R416-E420 WeakPolarHBondContact O-CB 3.28Å; R416-E420 PolarHBondContact O-N 3.11Å
417L96.1Very high92.7Very high0 Ų057.4 Ų57.40%031%0.306CS..Hα-helixtrans-60-38.1171.5-70.3176.1000112F381 V384 L385 V394 I399 L413 F414 E420 Q421 V422 I423F381-L417 HydrophobicContact CE2-CD2 3.8Å; F381-L417 HydrophobicContact CE2-CG 4.16Å; F381-L417 HydrophobicContact CZ-CD2 4.09Å; V384-L417 HydrophobicContact CG1-CD1 3.54Å; V384-L417 HydrophobicContact CG1-CD2 3.94Å; V384-L417 HydrophobicContact CG1-CG 3.88Å; L385-L417 HydrophobicContact CD2-CD2 3.89Å; V394-L417 HydrophobicContact CG2-CD1 4.15Å; I399-L417 HydrophobicContact CD1-CD1 4.04Å; L413-L417 PolarHBondContact O-N 2.78Å; F414-L417 WeakPolarHBondContact O-CB 3.46Å; F414-L417 PolarHBondContact O-N 2.92Å; L417-E420 CarbonylContact O-C 3.5Å; L417-Q421 PolarHBondContact O-N 2.75Å; L417-Q421 VanDerWaalsContact O-N 3.13Å; L417-V422 HydrophobicContact CB-CB 4.31Å; L417-V422 HydrophobicContact CD2-CB 3.85Å; L417-V422 HydrophobicContact CD2-CG1 3.82Å; L417-V422 HydrophobicContact CD2-CG2 4.15Å; L417-V422 PolarHBondContact O-N 3.37Å; L417-I423 HydrophobicContact CB-CD1 3.69Å; L417-I423 HydrophobicContact CB-CG1 3.75Å; L417-I423 HydrophobicContact CB-CG2 4.16Å; L417-I423 HydrophobicContact CD1-CD1 3.87Å; L417-I423 HydrophobicContact CD1-CG2 3.99Å; L417-I423 HydrophobicContact CG-CD1 4.49Å
418I94.6Very high92.3Very high58 Ų5856.5 Ų56.530%0.29732%0.315SS..Hα-helixtrans-66.9-44.3174.8-61.5163.7000110.4F414 N415 R416 Q421 I423 K433F414-I418 HydrophobicContact CD1-CD1 3.94Å; F414-I418 HydrophobicContact CE1-CD1 3.77Å; F414-I418 WeakPolarHBondContact O-CG1 3.43Å; F414-I418 PolarHBondContact O-N 2.92Å; F414-I418 VanDerWaalsContact O-N 3.16Å; N415-I418 PolarHBondContact O-N 3.32Å; R416-I418 VanDerWaalsContact C-N 3.28Å; R416-I418 PolarHBondContact O-N 2.94Å; I418-Q421 PolarHBondContact O-N 2.87Å; I418-I423 HydrophobicContact CG1-CD1 3.96Å; I418-I423 HydrophobicContact CG1-CG1 3.66Å; I418-K433 HydrophobicContact CD1-CD 3.99Å; I418-K433 HydrophobicContact CG1-CD 3.97Å
419K94Very high91.9Very high161 Ų16161.4 Ų61.470%0.732%0.324SS*.Hα-helixtrans-63.4-39.6178.5-169.4174.8-178.6176.90112.2N415 R416 Q421 E474N415-K419 PolarHBondContact O-N 2.83Å; R416-K419 PolarHBondContact O-N 2.75Å; K419-Q421 PolarHBondContact O-N 3Å; K419-E474 IonicContact NZ-OE1 3.81Å
420E93.3Very high91.4Very high41 Ų4168.5 Ų68.519%0.19234%0.344CS..THydrogen-bonded Turntrans-82.27.9173.4-67.6-82.1-173.100113F381 R416 L417 V422 Y439 R447F381-E420 HydrophobicContact CE1-CG 4.23Å; F381-E420 HydrophobicContact CZ-CB 4.3Å; F381-E420 HydrophobicContact CZ-CG 3.94Å; R416-E420 HydrophobicContact CG-CG 4.44Å; R416-E420 WeakPolarHBondContact O-CB 3.28Å; R416-E420 PolarHBondContact O-N 3.11Å; L417-E420 CarbonylContact O-C 3.5Å; E420-V422 HydrophobicContact CB-CG2 4.26Å; E420-V422 PolarHBondContact O-N 3.32Å; E420-V422 VanDerWaalsContact O-N 3.11Å; E420-Y439 WeakPolarHBondContact O-CE1 3.36Å; E420-R447 IonicContact OE1-NH2 3.4Å; E420-R447 PolarHBondContact OE1-NH2 2.86Å; E420-R447 IonicContact OE2-CZ 3.24Å; E420-R447 VanDerWaalsContact OE2-CZ 3.24Å; E420-R447 IonicContact OE2-NH1 2.75Å; E420-R447 PolarHBondContact OE2-NH1 3.3Å; E420-R447 IonicContact OE2-NH2 2.79Å; E420-R447 PolarHBondContact OE2-NH2 3.07Å
421Q92.3Very high90.9Very high97 Ų9770.9 Ų70.945%0.45337%0.369SS..THydrogen-bonded Turntrans61.212.1177.4-64.3-163.445.200117.4L417 I418 K419 I423 K424 Y439L417-Q421 PolarHBondContact O-N 2.75Å; L417-Q421 VanDerWaalsContact O-N 3.13Å; I418-Q421 PolarHBondContact O-N 2.87Å; K419-Q421 PolarHBondContact O-N 3Å; Q421-I423 VanDerWaalsContact C-N 3.33Å; Q421-I423 PolarHBondContact O-N 2.68Å; Q421-K424 WeakPolarHBondContact O-CE 3.24Å; Q421-Y439 HydrophobicContact CB-CE1 3.84Å
422V94.3Very high90.8Very high0 Ų065.9 Ų65.90%035%0.351CS..SBendtrans-66.7-31.5178.8179.10000112.6L385 C388 L417 E420 V435 E436 L440 V444L385-V422 HydrophobicContact CD2-CG1 4.44Å; L385-V422 HydrophobicContact CD2-CG2 3.88Å; C388-V422 HydrophobicContact CB-CG1 4.43Å; L417-V422 HydrophobicContact CB-CB 4.31Å; L417-V422 HydrophobicContact CD2-CB 3.85Å; L417-V422 HydrophobicContact CD2-CG1 3.82Å; L417-V422 HydrophobicContact CD2-CG2 4.15Å; L417-V422 PolarHBondContact O-N 3.37Å; E420-V422 HydrophobicContact CB-CG2 4.26Å; E420-V422 PolarHBondContact O-N 3.32Å; E420-V422 VanDerWaalsContact O-N 3.11Å; V422-V435 HydrophobicContact CG1-CG1 4.38Å; V422-E436 PolarHBondContact O-N 3.19Å; V422-L440 HydrophobicContact CG1-CB 4.25Å; V422-L440 HydrophobicContact CG1-CD1 3.91Å; V422-L440 HydrophobicContact CG1-CD2 4.1Å; V422-L440 HydrophobicContact CG1-CG 4.31Å; V422-L440 HydrophobicContact CG2-CD1 4.36Å; V422-V444 HydrophobicContact CG2-CB 4.24Å; V422-V444 HydrophobicContact CG2-CG1 3.91Å; V422-V444 HydrophobicContact CG2-CG2 3.89Å
423I94.7Very high90.7Very high1 Ų167.1 Ų67.11%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-128.4130-178.371.5-179.2000112.8V394 F414 L417 I418 Q421 K433 L434 V435V394-I423 HydrophobicContact CG2-CD1 4.06Å; V394-I423 HydrophobicContact CG2-CG2 3.85Å; F414-I423 HydrophobicContact CD2-CD1 3.41Å; F414-I423 VanDerWaalsContact CD2-CD1 3.41Å; F414-I423 HydrophobicContact CE1-CD1 4.47Å; F414-I423 HydrophobicContact CE2-CD1 3.31Å; F414-I423 HydrophobicContact CG-CD1 4.06Å; F414-I423 HydrophobicContact CZ-CD1 3.91Å; L417-I423 HydrophobicContact CB-CD1 3.69Å; L417-I423 HydrophobicContact CB-CG1 3.75Å; L417-I423 HydrophobicContact CB-CG2 4.16Å; L417-I423 HydrophobicContact CD1-CD1 3.87Å; L417-I423 HydrophobicContact CD1-CG2 3.99Å; L417-I423 HydrophobicContact CG-CD1 4.49Å; I418-I423 HydrophobicContact CG1-CD1 3.96Å; I418-I423 HydrophobicContact CG1-CG1 3.66Å; Q421-I423 VanDerWaalsContact C-N 3.33Å; Q421-I423 PolarHBondContact O-N 2.68Å; I423-K433 HydrophobicContact CB-CB 3.97Å; I423-K433 HydrophobicContact CD1-CB 4.13Å; I423-K433 HydrophobicContact CD1-CD 4.25Å; I423-K433 HydrophobicContact CG1-CB 4.1Å; I423-K433 HydrophobicContact CG1-CD 4.01Å; I423-L434 CarbonylContact C-O 3.42Å; I423-L434 VanDerWaalsContact CA-O 3.23Å; I423-L434 WeakPolarHBondContact CA-O 3.37Å; I423-L434 WeakPolarHBondContact CB-O 3.25Å; I423-V435 HydrophobicContact CG2-CG2 4.12Å
424K90.4Very high90.6Very high69 Ų6970.3 Ų70.330%0.337%0.365SS..EExtended strand (participates in β ladder)trans-144.1-178.1-172.8-64.9-176.9-173.1154.20110.8Q421 L434 E436Q421-K424 WeakPolarHBondContact O-CE 3.24Å; K424-L434 PolarHBondContact N-O 2.88Å; K424-L434 PolarHBondContact O-N 3.25Å; K424-E436 HydrophobicContact CB-CG 4.02Å; K424-E436 VanDerWaalsContact CB-OE1 3.32Å; K424-E436 WeakPolarHBondContact CB-OE1 3.39Å; K424-E436 HydrophobicContact CD-CG 3.88Å; K424-E436 WeakPolarHBondContact CD-OE1 3.34Å; K424-E436 HydrophobicContact CG-CG 3.95Å
425G88.2Confident90.5Very high57 Ų5770.1 Ų70.159%0.58837%0.365SS*.SBendtrans60-160.6-175.300000113.6
426A86.7Confident90.4Very high80 Ų8069.6 Ų69.666%0.66136%0.36SS*.  trans-114.3135.9163.800000107.9
427G84.9Confident90.2Very high14 Ų1468.7 Ų68.714%0.14436%0.358CS..  trans-74.9177.8174.300000112.6R429 E432G427-R429 PolarHBondContact O-N 3.02Å; G427-E432 PolarHBondContact N-O 2.95Å
428P81.6Confident89.9Confident102 Ų10276.4 Ų76.466%0.66239%0.394SS*.SBendtrans-66.7-19.1-177.627-33000113.7S393 E432S393-P428 WeakPolarHBondContact OG-CD 3.43Å; P428-E432 WeakPolarHBondContact CD-OE2 3.13Å; P428-E432 WeakPolarHBondContact CG-OE2 3.35Å
429R84Confident89.9Confident186 Ų18676.6 Ų76.670%0.70239%0.391SS*.SBendtrans-120.6156.9176.2-43.7176.3-157.2-161.40.9112.4G427 G431 E432G427-R429 PolarHBondContact O-N 3.02Å; R429-G431 PolarHBondContact O-N 3.34Å; R429-G431 VanDerWaalsContact O-N 3.08Å; R429-E432 HydrophobicContact CB-CG 4.36Å; R429-E432 WeakPolarHBondContact CB-OE2 3.25Å; R429-E432 VanDerWaalsContact CD-OE1 3.3Å; R429-E432 WeakPolarHBondContact CD-OE1 3.45Å; R429-E432 WeakPolarHBondContact CG-OE2 3.41Å; R429-E432 PolarHBondContact N-OE2 3.31Å; R429-E432 IonicContact NE-OE1 3.86Å; R429-E432 WeakPolarHBondContact O-CB 3.43Å; R429-E432 PolarHBondContact O-N 3.13Å
430R80.5Confident89.8Confident209 Ų20968.9 Ų68.979%0.78936%0.358SS*.THydrogen-bonded Turntrans-57.2113.3179.3-178.1-178.9177.3-162.4-4.1110.8
431G83.2Confident89.6Confident50 Ų5071.6 Ų71.652%0.51537%0.37SS..THydrogen-bonded Turntrans97.3-0.2178.700000115.1S395 R429S395-G431 WeakPolarHBondContact CB-O 3.25Å; R429-G431 PolarHBondContact O-N 3.34Å; R429-G431 VanDerWaalsContact O-N 3.08Å
432E91.1Very high89.5Confident30 Ų3072.5 Ų72.514%0.1438%0.379CS..  trans-85.7156.8167.9-71.1164.9-179.800111.5V394 G427 P428 R429V394-E432 CarbonylContact O-C 3.57Å; V394-E432 VanDerWaalsContact O-CA 3.25Å; V394-E432 WeakPolarHBondContact O-CA 3.37Å; G427-E432 PolarHBondContact N-O 2.95Å; P428-E432 WeakPolarHBondContact CD-OE2 3.13Å; P428-E432 WeakPolarHBondContact CG-OE2 3.35Å; R429-E432 HydrophobicContact CB-CG 4.36Å; R429-E432 WeakPolarHBondContact CB-OE2 3.25Å; R429-E432 VanDerWaalsContact CD-OE1 3.3Å; R429-E432 WeakPolarHBondContact CD-OE1 3.45Å; R429-E432 WeakPolarHBondContact CG-OE2 3.41Å; R429-E432 PolarHBondContact N-OE2 3.31Å; R429-E432 IonicContact NE-OE1 3.86Å; R429-E432 WeakPolarHBondContact O-CB 3.43Å; R429-E432 PolarHBondContact O-N 3.13Å
433K92Very high89.4Confident56 Ų5676.5 Ų76.524%0.24340%0.399CS..EExtended strand (participates in β ladder)trans-128.5148.3166.1-73.7-169168.3-167.30109.5S393 V394 F414 I418 I423S393-K433 CarbonylContact C-O 3.6Å; S393-K433 WeakPolarHBondContact CA-O 3.34Å; S393-K433 WeakPolarHBondContact CB-O 3.34Å; V394-K433 PolarHBondContact N-O 3.49Å; V394-K433 PolarHBondContact O-N 2.94Å; F414-K433 HydrophobicContact CZ-CB 4.36Å; F414-K433 HydrophobicContact CZ-CD 4.12Å; F414-K433 HydrophobicContact CZ-CG 3.97Å; I418-K433 HydrophobicContact CD1-CD 3.99Å; I418-K433 HydrophobicContact CG1-CD 3.97Å; I423-K433 HydrophobicContact CB-CB 3.97Å; I423-K433 HydrophobicContact CD1-CB 4.13Å; I423-K433 HydrophobicContact CD1-CD 4.25Å; I423-K433 HydrophobicContact CG1-CB 4.1Å; I423-K433 HydrophobicContact CG1-CD 4.01Å
434L93.7Very high89.3Confident79 Ų7976.5 Ų76.541%0.41440%0.399SS..EExtended strand (participates in β ladder)trans-70.9145.4175.7-59.2174000109.7D392 I423 K424D392-L434 WeakPolarHBondContact O-CA 3.41Å; I423-L434 CarbonylContact C-O 3.42Å; I423-L434 VanDerWaalsContact CA-O 3.23Å; I423-L434 WeakPolarHBondContact CA-O 3.37Å; I423-L434 WeakPolarHBondContact CB-O 3.25Å; K424-L434 PolarHBondContact N-O 2.88Å; K424-L434 PolarHBondContact O-N 3.25Å
435V94.5Very high89.3Confident14 Ų1473.7 Ų73.79%0.08539%0.388CS..EExtended strand (participates in β ladder)trans-86.5126.6171.9-178.10000109.3C388 E391 D392 V394 V422 I423 K437 L440C388-V435 HydrophobicContact CB-CG1 3.98Å; C388-V435 HydrophobicContact CB-CG2 4.05Å; E391-V435 VanDerWaalsContact O-CG2 3.26Å; E391-V435 WeakPolarHBondContact O-CG2 3.35Å; D392-V435 PolarHBondContact O-N 3.3Å; V394-V435 HydrophobicContact CG1-CG2 4.25Å; V394-V435 HydrophobicContact CG2-CG2 4.4Å; V422-V435 HydrophobicContact CG1-CG1 4.38Å; I423-V435 HydrophobicContact CG2-CG2 4.12Å; V435-K437 HydrophobicContact CB-CG 4.34Å; V435-K437 HydrophobicContact CG1-CG 4.03Å; V435-K437 PolarHBondContact O-N 3.02Å; V435-L440 HydrophobicContact CG1-CD2 3.73Å
436E94.4Very high89.4Confident78 Ų7873.6 Ų73.636%0.36438%0.377SS..  trans-76.871.2173.2-66.1-74.7-178.100109.1V422 K424 E438 Y439 L440V422-E436 PolarHBondContact O-N 3.19Å; K424-E436 HydrophobicContact CB-CG 4.02Å; K424-E436 VanDerWaalsContact CB-OE1 3.32Å; K424-E436 WeakPolarHBondContact CB-OE1 3.39Å; K424-E436 HydrophobicContact CD-CG 3.88Å; K424-E436 WeakPolarHBondContact CD-OE1 3.34Å; K424-E436 HydrophobicContact CG-CG 3.95Å; E436-E438 PolarHBondContact O-N 2.79Å; E436-Y439 WeakPolarHBondContact O-CA 3.27Å; E436-Y439 WeakPolarHBondContact O-CB 3.48Å; E436-Y439 PolarHBondContact O-N 3.3Å; E436-L440 PolarHBondContact O-N 2.89Å
437K90.8Very high89.5Confident61 Ų6175.7 Ų75.727%0.26537%0.368SS..Hα-helixtrans-52.9-48-168.2-79.3-176166.4174.80113.6L389 E391 D392 V435 Y439 L440 E441L389-K437 WeakPolarHBondContact O-CE 3.47Å; E391-K437 WeakPolarHBondContact O-CE 3.49Å; D392-K437 WeakPolarHBondContact OD1-CE 3.4Å; D392-K437 IonicContact OD1-NZ 2.69Å; D392-K437 PolarHBondContact OD1-NZ 2.92Å; V435-K437 HydrophobicContact CB-CG 4.34Å; V435-K437 HydrophobicContact CG1-CG 4.03Å; V435-K437 PolarHBondContact O-N 3.02Å; K437-Y439 VanDerWaalsContact C-N 3.29Å; K437-Y439 PolarHBondContact O-N 2.79Å; K437-L440 WeakPolarHBondContact O-CB 3.21Å; K437-L440 PolarHBondContact O-N 3.13Å; K437-E441 WeakPolarHBondContact O-CB 3.27Å; K437-E441 WeakPolarHBondContact O-CG 3.35Å; K437-E441 PolarHBondContact O-N 3.46Å
438E89.4Confident89.8Confident161 Ų16176.2 Ų76.275%0.75237%0.366SS*.Hα-helixtrans-58.5-39.1176.9-64-176.5176.400112.8E436 N442E436-E438 PolarHBondContact O-N 2.79Å; E438-N442 VanDerWaalsContact O-CB 3.28Å; E438-N442 WeakPolarHBondContact O-CB 3.18Å; E438-N442 PolarHBondContact O-N 3.2Å; E438-N442 PolarHBondContact O-ND2 2.91Å
439Y93.1Very high90.2Very high62 Ų6272 Ų7224%0.24334%0.337CS..Hα-helixtrans-73.9-39178.6-179.3-91.9000111.8E420 Q421 E436 K437 I443 V444E420-Y439 WeakPolarHBondContact O-CE1 3.36Å; Q421-Y439 HydrophobicContact CB-CE1 3.84Å; E436-Y439 WeakPolarHBondContact O-CA 3.27Å; E436-Y439 WeakPolarHBondContact O-CB 3.48Å; E436-Y439 PolarHBondContact O-N 3.3Å; K437-Y439 VanDerWaalsContact C-N 3.29Å; K437-Y439 PolarHBondContact O-N 2.79Å; Y439-I443 HydrophobicContact CD2-CB 4.29Å; Y439-I443 HydrophobicContact CD2-CD1 3.8Å; Y439-I443 HydrophobicContact CD2-CG1 4.46Å; Y439-I443 HydrophobicContact CE2-CB 4.19Å; Y439-I443 HydrophobicContact CE2-CD1 3.82Å; Y439-I443 HydrophobicContact CE2-CG2 4.03Å; Y439-I443 WeakPolarHBondContact O-CB 3.19Å; Y439-I443 PolarHBondContact O-N 2.65Å; Y439-V444 HydrophobicContact CD1-CG2 3.77Å; Y439-V444 HydrophobicContact CE1-CG2 3.36Å; Y439-V444 PolarHBondContact O-N 2.66Å; Y439-V444 VanDerWaalsContact O-N 3.14Å
440L92.3Very high90.1Very high0 Ų065.7 Ų65.70%032%0.322CS..Iπ-helixtrans-60-53.4173.5174.855.4000110.5L385 C388 L389 V422 V435 E436 K437 V444 C445L385-L440 HydrophobicContact CB-CD1 4.37Å; L385-L440 HydrophobicContact CD2-CD1 3.75Å; C388-L440 HydrophobicContact CB-CD2 3.53Å; L389-L440 HydrophobicContact CD2-CD2 3.8Å; L389-L440 HydrophobicContact CD2-CG 3.78Å; L389-L440 HydrophobicContact CG-CD2 4.1Å; L389-L440 HydrophobicContact CG-CG 4.43Å; V422-L440 HydrophobicContact CG1-CB 4.25Å; V422-L440 HydrophobicContact CG1-CD1 3.91Å; V422-L440 HydrophobicContact CG1-CD2 4.1Å; V422-L440 HydrophobicContact CG1-CG 4.31Å; V422-L440 HydrophobicContact CG2-CD1 4.36Å; V435-L440 HydrophobicContact CG1-CD2 3.73Å; E436-L440 PolarHBondContact O-N 2.89Å; K437-L440 WeakPolarHBondContact O-CB 3.21Å; K437-L440 PolarHBondContact O-N 3.13Å; L440-V444 HydrophobicContact CD1-CB 4.14Å; L440-V444 HydrophobicContact CD1-CG1 4.3Å; L440-V444 PolarHBondContact O-N 3.09Å; L440-C445 WeakPolarHBondContact O-CB 3.37Å; L440-C445 PolarHBondContact O-N 3.41Å
441E90.5Very high89.4Confident97 Ų9761.8 Ų61.845%0.45331%0.312SS..Iπ-helixtrans-66.6-47.3-176.7-71.8167.5-163.300112.7L389 K437 P446L389-E441 HydrophobicContact CD2-CG 3.56Å; K437-E441 WeakPolarHBondContact O-CB 3.27Å; K437-E441 WeakPolarHBondContact O-CG 3.35Å; K437-E441 PolarHBondContact O-N 3.46Å; E441-P446 VanDerWaalsContact O-CD 3.27Å; E441-P446 WeakPolarHBondContact O-CD 3.36Å
442N90.2Very high87.6Confident117 Ų11766.6 Ų66.663%0.62633%0.326SS*.Iπ-helixtrans-90.1-21.1-170.8-65.2-81.7000114.6E438E438-N442 VanDerWaalsContact O-CB 3.28Å; E438-N442 WeakPolarHBondContact O-CB 3.18Å; E438-N442 PolarHBondContact O-N 3.2Å; E438-N442 PolarHBondContact O-ND2 2.91Å
443I91.4Very high84.8Confident84 Ų8469.6 Ų69.643%0.43135%0.35SS..Iπ-helixtrans-122.4-43.7-173.8-60.4-176.9000112.4Y439 R447Y439-I443 HydrophobicContact CD2-CB 4.29Å; Y439-I443 HydrophobicContact CD2-CD1 3.8Å; Y439-I443 HydrophobicContact CD2-CG1 4.46Å; Y439-I443 HydrophobicContact CE2-CB 4.19Å; Y439-I443 HydrophobicContact CE2-CD1 3.82Å; Y439-I443 HydrophobicContact CE2-CG2 4.03Å; Y439-I443 WeakPolarHBondContact O-CB 3.19Å; Y439-I443 PolarHBondContact O-N 2.65Å; I443-R447 VanDerWaalsContact O-CD 3.28Å; I443-R447 WeakPolarHBondContact O-CD 3.39Å; I443-R447 WeakPolarHBondContact O-CG 3.22Å
444V91.6Very high82Confident0 Ų074.4 Ų74.40%038%0.378CS..Iπ-helixtrans-85.8-45.6-174.8-176.30000112L385 V422 Y439 L440 R447 F448L385-V444 HydrophobicContact CD1-CG1 4.05Å; L385-V444 HydrophobicContact CD2-CG1 3.72Å; V422-V444 HydrophobicContact CG2-CB 4.24Å; V422-V444 HydrophobicContact CG2-CG1 3.91Å; V422-V444 HydrophobicContact CG2-CG2 3.89Å; Y439-V444 HydrophobicContact CD1-CG2 3.77Å; Y439-V444 HydrophobicContact CE1-CG2 3.36Å; Y439-V444 PolarHBondContact O-N 2.66Å; Y439-V444 VanDerWaalsContact O-N 3.14Å; L440-V444 HydrophobicContact CD1-CB 4.14Å; L440-V444 HydrophobicContact CD1-CG1 4.3Å; L440-V444 PolarHBondContact O-N 3.09Å; V444-R447 WeakPolarHBondContact O-CB 3.42Å; V444-R447 PolarHBondContact O-N 3.05Å; V444-R447 VanDerWaalsContact O-N 3.16Å; V444-F448 HydrophobicContact CG1-CD2 3.68Å; V444-F448 HydrophobicContact CG1-CE2 3.9Å; V444-F448 WeakPolarHBondContact O-CD2 3.22Å; V444-F448 PolarHBondContact O-N 3.41Å; V444-F448 VanDerWaalsContact O-N 3.13Å
445C90.2Very high79Confident11 Ų1178.9 Ų78.97%0.07440%0.396CS..Hα-helixtrans-58.6-45.7179.4-82.40000113L440 R447 F448 F449L440-C445 WeakPolarHBondContact O-CB 3.37Å; L440-C445 PolarHBondContact O-N 3.41Å; C445-R447 VanDerWaalsContact C-N 3.3Å; C445-R447 PolarHBondContact O-N 3.28Å; C445-F448 PolarHBondContact O-N 2.87Å; C445-F448 VanDerWaalsContact O-N 3.09Å; C445-F449 HydrophobicContact CB-CD2 3.89Å; C445-F449 HydrophobicContact CB-CE2 4.41Å; C445-F449 WeakPolarHBondContact O-CB 3.35Å; C445-F449 VanDerWaalsContact O-CD2 3.25Å; C445-F449 WeakPolarHBondContact O-CD2 3.3Å; C445-F449 PolarHBondContact O-N 2.66Å
446P90.2Very high75.7Confident54 Ų5482.7 Ų82.735%0.35142%0.416SS..Hα-helixtrans-57.4-40.7175.5-28.436.8000113.1E441 F448 S450E441-P446 VanDerWaalsContact O-CD 3.27Å; E441-P446 WeakPolarHBondContact O-CD 3.36Å; P446-F448 PolarHBondContact O-N 2.96Å; P446-S450 WeakPolarHBondContact CA-OG 3.33Å; P446-S450 WeakPolarHBondContact O-CB 3.14Å; P446-S450 PolarHBondContact O-N 2.81Å; P446-S450 PolarHBondContact O-OG 2.97Å
447R90.4Very high72.7Confident125 Ų12587.7 Ų87.747%0.47244%0.437SS..Hα-helixtrans-60.2-41.8175.4-70.716859-144.5-6.6112.4R333 E420 I443 V444 C445R333-R447 PolarHBondContact NH2-O 2.66Å; E420-R447 IonicContact OE1-NH2 3.4Å; E420-R447 PolarHBondContact OE1-NH2 2.86Å; E420-R447 IonicContact OE2-CZ 3.24Å; E420-R447 VanDerWaalsContact OE2-CZ 3.24Å; E420-R447 IonicContact OE2-NH1 2.75Å; E420-R447 PolarHBondContact OE2-NH1 3.3Å; E420-R447 IonicContact OE2-NH2 2.79Å; E420-R447 PolarHBondContact OE2-NH2 3.07Å; I443-R447 VanDerWaalsContact O-CD 3.28Å; I443-R447 WeakPolarHBondContact O-CD 3.39Å; I443-R447 WeakPolarHBondContact O-CG 3.22Å; V444-R447 WeakPolarHBondContact O-CB 3.42Å; V444-R447 PolarHBondContact O-N 3.05Å; V444-R447 VanDerWaalsContact O-N 3.16Å; C445-R447 VanDerWaalsContact C-N 3.3Å; C445-R447 PolarHBondContact O-N 3.28Å
448F90.2Very high69.8Low25 Ų2590 Ų9011%0.1146%0.456CS..Hα-helixtrans-90.9-22.9-174.3-76.7-83.1000114.6R333 F381 R382 L385 V444 C445 P446R333-F448 PolarHBondContact NE-O 3.44Å; R333-F448 PolarHBondContact NH2-O 3.39Å; F381-F448 HydrophobicContact CD1-CD1 4.27Å; F381-F448 AromaticContact CD1-CE1 3.75Å; F381-F448 HydrophobicContact CD1-CE1 3.75Å; F381-F448 HydrophobicContact CD1-CE2 4.48Å; F381-F448 AromaticContact CD1-CZ 3.88Å; F381-F448 HydrophobicContact CD1-CZ 3.88Å; F381-F448 AromaticContact CE1-CE1 3.98Å; F381-F448 HydrophobicContact CE1-CE1 3.98Å; F381-F448 AromaticContact CE1-CE2 3.91Å; F381-F448 HydrophobicContact CE1-CE2 3.91Å; F381-F448 AromaticContact CE1-CZ 3.61Å; F381-F448 HydrophobicContact CE1-CZ 3.61Å; R382-F448 PolarHBondContact NE-O 3.29Å; L385-F448 HydrophobicContact CD1-CB 3.73Å; L385-F448 HydrophobicContact CD1-CD1 4.13Å; L385-F448 HydrophobicContact CD1-CD2 3.54Å; L385-F448 HydrophobicContact CD1-CE2 4.21Å; L385-F448 HydrophobicContact CD1-CG 3.5Å; L385-F448 VanDerWaalsContact CD1-CG 3.5Å; V444-F448 HydrophobicContact CG1-CD2 3.68Å; V444-F448 HydrophobicContact CG1-CE2 3.9Å; V444-F448 WeakPolarHBondContact O-CD2 3.22Å; V444-F448 PolarHBondContact O-N 3.41Å; V444-F448 VanDerWaalsContact O-N 3.13Å; C445-F448 PolarHBondContact O-N 2.87Å; C445-F448 VanDerWaalsContact O-N 3.09Å; P446-F448 PolarHBondContact O-N 2.96Å
449F90.3Very high67Low13 Ų1386.8 Ų86.86%0.05745%0.451CS..Hα-helixtrans-118.7-27-170.8-59.1-68.4000115.3V330 R333 L335 R382 L385 C445 H451V330-F449 HydrophobicContact CG2-CE1 3.75Å; V330-F449 HydrophobicContact CG2-CZ 4.09Å; R333-F449 HydrophobicContact CB-CD1 4.37Å; R333-F449 WeakPolarHBondContact O-CD1 3.27Å; L335-F449 HydrophobicContact CD1-CB 4.13Å; L335-F449 HydrophobicContact CD1-CD1 4.38Å; L335-F449 HydrophobicContact CD1-CD2 3.73Å; L335-F449 HydrophobicContact CD1-CE2 4.29Å; L335-F449 HydrophobicContact CD1-CG 3.81Å; L335-F449 HydrophobicContact CD2-CD1 3.99Å; L335-F449 HydrophobicContact CD2-CD2 4.1Å; L335-F449 HydrophobicContact CD2-CE1 3.8Å; L335-F449 HydrophobicContact CD2-CE2 3.91Å; L335-F449 HydrophobicContact CD2-CG 4.17Å; L335-F449 HydrophobicContact CD2-CZ 3.76Å; L335-F449 HydrophobicContact CG-CB 4.37Å; L335-F449 HydrophobicContact CG-CD1 3.91Å; L335-F449 HydrophobicContact CG-CD2 4.09Å; L335-F449 HydrophobicContact CG-CE1 4.25Å; L335-F449 HydrophobicContact CG-CE2 4.42Å; L335-F449 HydrophobicContact CG-CG 3.85Å; L335-F449 HydrophobicContact CG-CZ 4.5Å; R382-F449 HydrophobicContact CB-CE1 3.87Å; R382-F449 HydrophobicContact CB-CZ 4Å; R382-F449 HydrophobicContact CG-CE1 3.89Å; R382-F449 HydrophobicContact CG-CZ 4.16Å; L385-F449 HydrophobicContact CB-CE2 4.1Å; L385-F449 HydrophobicContact CB-CZ 4.2Å; L385-F449 HydrophobicContact CD1-CE2 4.26Å; C445-F449 HydrophobicContact CB-CD2 3.89Å; C445-F449 HydrophobicContact CB-CE2 4.41Å; C445-F449 WeakPolarHBondContact O-CB 3.35Å; C445-F449 VanDerWaalsContact O-CD2 3.25Å; C445-F449 WeakPolarHBondContact O-CD2 3.3Å; C445-F449 PolarHBondContact O-N 2.66Å; F449-H451 PolarHBondContact O-N 3.43Å
450S82.1Confident64.1Low54 Ų5492.3 Ų92.338%0.37848%0.482SS..  trans-70.5128.8-177-59.50000113.8R333 P446 N452R333-S450 PolarHBondContact NH1-O 3.3Å; R333-S450 PolarHBondContact NH2-O 3.14Å; P446-S450 WeakPolarHBondContact CA-OG 3.33Å; P446-S450 WeakPolarHBondContact O-CB 3.14Å; P446-S450 PolarHBondContact O-N 2.81Å; P446-S450 PolarHBondContact O-OG 2.97Å; S450-N452 PolarHBondContact O-N 2.95Å; S450-N452 VanDerWaalsContact O-N 3.07Å
451H66.1Low61.1Low127 Ų127100.7 Ų100.759%0.58852%0.518SS*.  trans-72.28.2-179.2-77.9-104.9000115.6F449 S453F449-H451 PolarHBondContact O-N 3.43Å; H451-S453 PolarHBondContact O-N 3.45Å
452N44.5Very low58.1Low150 Ų150108 Ų10880%0.80254%0.542SS*.  trans-64112.8-179.5-77.7-0.8000111.5S450S450-N452 PolarHBondContact O-N 2.95Å; S450-N452 VanDerWaalsContact O-N 3.07Å
453S32.7Very low55.4Low93 Ų93107.1 Ų107.165%0.6555%0.55SS**  trans-51.7155170.1177.10000112.1H451 H455H451-S453 PolarHBondContact O-N 3.45Å; S453-H455 PolarHBondContact O-N 3.11Å
454L32.7Very low52.5Low158 Ų158111.1 Ų111.183%0.82757%0.567SS**SBendtrans-7256.8179.9-73.6170.4000112.8
455H31.1Very low49.5Very low172 Ų172118.2 Ų118.280%0.79661%0.605SS**  trans-129.117.7-170.7-119.6-76.1000116.4S453S453-H455 PolarHBondContact O-N 3.11Å
456D26.6Very low46.7Very low94 Ų94122.4 Ų122.450%0.50364%0.64SS.*  trans-122.289.1154.6-176.69.8000111.5T458 S459D456-T458 VanDerWaalsContact C-N 3.25Å; D456-T458 PolarHBondContact O-N 3.41Å; D456-T458 WeakPolarHBondContact OD1-CA 3.44Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 2.93Å; D456-T458 PolarHBondContact OD1-OG1 3.37Å; D456-S459 PolarHBondContact OD1-N 3.18Å; D456-S459 WeakPolarHBondContact OD2-CB 3.38Å; D456-S459 PolarHBondContact OD2-OG 2.64Å
457K29.6Very low43.9Very low183 Ų183125.4 Ų125.480%0.79666%0.663SS**  trans-91.735.6169.7-75.1-174175.9173.60112.3
458T29.7Very low40.9Very low110 Ų110128.6 Ų128.668%0.67568%0.68SS**SBendtrans-126.1-37.1-172.4-4.90000113.3D456D456-T458 VanDerWaalsContact C-N 3.25Å; D456-T458 PolarHBondContact O-N 3.41Å; D456-T458 WeakPolarHBondContact OD1-CA 3.44Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 2.93Å; D456-T458 PolarHBondContact OD1-OG1 3.37Å
459S30.9Very low37.9Very low93 Ų93132.9 Ų132.965%0.6571%0.713SS**THydrogen-bonded Turntrans-82.4-11.7-168.1-60.50000117.4D456D456-S459 PolarHBondContact OD1-N 3.18Å; D456-S459 WeakPolarHBondContact OD2-CB 3.38Å; D456-S459 PolarHBondContact OD2-OG 2.64Å
460M33.2Very low35Very low179 Ų179138.8 Ų138.888%0.88275%0.75SS**THydrogen-bonded Turntrans-123.237.3-177.4-63.6-161.181.100115.5R462M460-R462 PolarHBondContact O-N 3.1Å
461K28.8Very low32.4Very low176 Ų176140.2 Ų140.277%0.76576%0.76SS**  trans-75.764.3167.8-77.3-173.4175.71780112.7
462R28.6Very low30.6Very low250 Ų250142.9 Ų142.994%0.94377%0.773SS**SBendtrans-15432.6168.1-140.4173.8-81.4-163.3-2115.2M460M460-R462 PolarHBondContact O-N 3.1Å
463A32.8Very low29.9Very low98 Ų98145.1 Ų145.181%0.8178%0.776SS**  trans-142.261.9169.800000109.8
464H30.8Very low29.8Very low169 Ų169147.9 Ų147.978%0.78278%0.778SS**  trans-89.8158.3177-124.1-94000110.8
465D27.2Very low29.7Very low148 Ų148147.1 Ų147.179%0.79177%0.765SS**  trans8259.6166.2-52.1-13.8000117.9
466A31.5Very low29.7Very low99 Ų99146.2 Ų146.282%0.81877%0.767SS**  trans-136.2107.5146.600000110.9K468A466-K468 PolarHBondContact O-N 3.42Å
467S31.3Very low30Very low117 Ų117151.3 Ų151.382%0.81879%0.787SS**  trans-26119.5173.5-55.50000116
468K28.7Very low30Very low193 Ų193148.6 Ų148.684%0.83978%0.781SS**  61.512090.3-81.7-175.4173.5178.20116.2A466A466-K468 PolarHBondContact O-N 3.42Å
469S27.4Very low30Very low114 Ų114152.1 Ų152.180%0.79779%0.787SS**  trans56.592.2150.259.50000119.6
470T28Very low29.9Very low137 Ų137155.5 Ų155.584%0.8480%0.798SS**  trans-133.9102.6147.737.20000109.9
471S28.2Very low29.7Very low85 Ų85152.5 Ų152.559%0.59479%0.792SS**  trans-98.9144.7168.755.10000110.5K473S471-K473 VanDerWaalsContact C-N 3.35Å; S471-K473 PolarHBondContact O-N 2.81Å
472E27.8Very low29.8Very low182 Ų182149.5 Ų149.585%0.8579%0.793SS**SBendtrans60.222.8152.4-60.5167.2134.700118.3
473K31.6Very low30Very low198 Ų198145.7 Ų145.786%0.86179%0.786SS**  trans-134.18.4-176.9-70-165.7174.3-171.20118.1S471S471-K473 VanDerWaalsContact C-N 3.35Å; S471-K473 PolarHBondContact O-N 2.81Å
474E30.2Very low29.8Very low151 Ų151147.2 Ų147.271%0.70678%0.78SS**SBendtrans-110.531.7-171.9-150.3-179.4166.800113.6K419K419-E474 IonicContact NZ-OE1 3.81Å
475Y30.3Very low29.6Very low142 Ų142148.4 Ų148.456%0.55778%0.779SS**SBendtrans-111.1-17.6-173.4-77.7-74.7000116.6
476D31Very low29.6Very low153 Ų153149.8 Ų149.882%0.81877%0.773SS**SBendtrans-88.9-18.4-169.6-76.4-44000116L478D476-L478 PolarHBondContact O-N 2.94Å; D476-L478 VanDerWaalsContact O-N 3.1Å
477E32.8Very low29.3Very low201 Ų201148.9 Ų148.994%0.93977%0.766SS**THydrogen-bonded Turntrans-81.516.4-171.7-63.3-164.3144.800115.4F479E477-F479 VanDerWaalsContact C-N 3.34Å; E477-F479 PolarHBondContact O-N 2.91Å
478L30.2Very low29.1Very low126 Ų126148.8 Ų148.866%0.6677%0.765SS**THydrogen-bonded Turntrans-83.62-175.3-73.4170.2000115.2D476D476-L478 PolarHBondContact O-N 2.94Å; D476-L478 VanDerWaalsContact O-N 3.1Å
479F28.2Very low29Very low184 Ų184145.1 Ų145.181%0.80776%0.761SS**  trans-128.774.3-168.2-71.7-85.7000115.4E477E477-F479 VanDerWaalsContact C-N 3.34Å; E477-F479 PolarHBondContact O-N 2.91Å
480N29.4Very low29.1Very low163 Ų163146.7 Ų146.787%0.87277%0.766SS**  trans-168.2125.8147.9-115-38.7000113.9
481P29Very low29Very low117 Ų117147.3 Ų147.376%0.7677%0.77SS**  trans-119.3146.5175.838.5-27.8000115
482S31Very low29.1Very low112 Ų112148.4 Ų148.478%0.78378%0.777SS**  trans-144.8135.6173.1-69.60000114.2
483Q33.7Very low29.1Very low171 Ų171149.7 Ų149.780%0.79978%0.78SS**  trans69.397.4150.6-65.4173.7-3.400121.7
484D28.1Very low29.2Very low130 Ų130148.4 Ų148.470%0.69577%0.77SS**  55.3131113.8-47-28.4000123.4
485Y27.3Very low29.4Very low194 Ų194151.9 Ų151.976%0.76178%0.777SS**  179.6153.297-110.9-88.8000114.6
486R25.6Very low29.8Very low177 Ų177152.7 Ų152.767%0.66878%0.783SS**  trans-59.2-179.9178-61.4170.5155.6175.4-11.3113.2
487A26.5Very low30.5Very low80 Ų80145.9 Ų145.966%0.66175%0.746SS**  cis-150.3-168.44.300000107.9
488S26.6Very low31.5Very low114 Ų114137.4 Ų137.480%0.79771%0.707SS**  cis-162.7163.8-9.3-131.20000109.1
489P25.6Very low32.7Very low117 Ų117131.5 Ų131.576%0.7668%0.677SS**  trans-103.3165.4-177.838.9-34.2000115.7
490T29.7Very low33.8Very low147 Ų147123.1 Ų123.190%0.90264%0.641SS**  trans-135.1144167.751.70000110.9
491T26.4Very low35.2Very low149 Ų149115.8 Ų115.891%0.91460%0.602SS**  trans-99.2148.2-171.749.60000113.5
492S30.3Very low36.4Very low108 Ų108113.7 Ų113.776%0.75559%0.587SS**  trans-147.5139.6170.8-171.40000111.1R494S492-R494 PolarHBondContact O-N 2.99Å
493K28.4Very low37.7Very low210 Ų210109.7 Ų109.791%0.91356%0.559SS**  trans-78.4114.8-175.5-62.8173.8179.5177.50110.1
494R32.7Very low38.9Very low170 Ų170102.1 Ų102.164%0.64252%0.524SS*.  trans-123.8165.7170.8-75.3-169.4170.1-146.13.1112.3E201 S492E201-R494 WeakPolarHBondContact OE1-CD 3.35Å; E201-R494 IonicContact OE1-CZ 2.7Å; E201-R494 IonicContact OE1-NE 3.27Å; E201-R494 IonicContact OE1-NH1 3.66Å; E201-R494 PolarHBondContact OE1-NH1 3.35Å; E201-R494 IonicContact OE2-NH1 3.69Å; E201-R494 PolarHBondContact OE2-NH1 3.23Å; S492-R494 PolarHBondContact O-N 2.99Å
495R34.3Very low39.9Very low225 Ų225100 Ų10085%0.84952%0.519SS*.  trans-86.7150.5-165-62.5173.6176.5170.8-3.5110.7M497R495-M497 PolarHBondContact O-N 2.88Å
496K39.4Very low41.2Very low158 Ų15891.2 Ų91.269%0.68749%0.485SS*.  trans-50.1126.8174.1-69.2-179.7-179.4175.30110.9D196D196-K496 WeakPolarHBondContact OD1-CA 3.12Å
497M46Very low42.3Very low10 Ų1087.2 Ų87.25%0.04948%0.484CS..  trans-96.3105.6167.3-71.5-176.262.100110.9Y194 D196 E201 R495Y194-M497 HydrophobicContact CD2-CB 4.01Å; Y194-M497 WeakPolarHBondContact CD2-O 3.18Å; Y194-M497 PolarHBondContact N-O 3.42Å; D196-M497 PolarHBondContact OD1-N 3Å; E201-M497 HydrophobicContact CB-SD 4.45Å; E201-M497 HydrophobicContact CG-SD 4.06Å; R495-M497 PolarHBondContact O-N 2.88Å
498D53.3Low43.8Very low23 Ų2385.5 Ų85.512%0.12346%0.461CS..EExtended strand (participates in β ladder)trans-102.9141.7172.1-82.8-12.5000110.4K191 Q193 A211K191-D498 WeakPolarHBondContact CE-OD2 3.35Å; K191-D498 IonicContact NZ-OD2 2.66Å; K191-D498 PolarHBondContact NZ-OD2 2.78Å; Q193-D498 VanDerWaalsContact CG-OD1 3.29Å; Q193-D498 WeakPolarHBondContact CG-OD1 3.22Å; Q193-D498 PolarHBondContact NE2-OD1 3.06Å; A211-D498 CarbonylContact C-O 3.32Å; A211-D498 PolarHBondContact N-O 3.02Å
499M54.7Low44.5Very low3 Ų392.1 Ų92.12%0.01548%0.479CS..EExtended strand (participates in β ladder)trans-132.9148.3177.5-82.4-165.7166.700112.2K191 L192 Y194 Y203 V204 P205 K209 R210K191-M499 CarbonylContact C-O 3.58Å; K191-M499 VanDerWaalsContact CA-O 3.25Å; K191-M499 WeakPolarHBondContact CA-O 3.33Å; K191-M499 WeakPolarHBondContact CG-O 3.35Å; L192-M499 HydrophobicContact CB-CB 4.38Å; L192-M499 PolarHBondContact N-O 3.05Å; L192-M499 PolarHBondContact O-N 3.06Å; Y194-M499 HydrophobicContact CE2-CB 3.96Å; Y194-M499 HydrophobicContact CE2-CG 3.7Å; Y194-M499 HydrophobicContact CE2-SD 3.69Å; Y194-M499 PolarHBondContact OH-SD 3.04Å; Y203-M499 WeakPolarHBondContact O-CE 3.45Å; V204-M499 HydrophobicContact CB-CE 4.24Å; V204-M499 HydrophobicContact CG1-CE 4.19Å; V204-M499 HydrophobicContact CG1-SD 4.33Å; V204-M499 HydrophobicContact CG2-CE 3.95Å; P205-M499 VanDerWaalsContact CD-SD 3.54Å; K209-M499 WeakPolarHBondContact O-CA 3.48Å; K209-M499 WeakPolarHBondContact O-CB 3.36Å; K209-M499 WeakPolarHBondContact O-CG 3.5Å; R210-M499 HydrophobicContact CB-CE 4.07Å
500A52.5Low45.4Very low8 Ų890.9 Ų90.97%0.06647%0.465CS..EExtended strand (participates in β ladder)trans-140.9152.4179.700000109.7K209 A211 V214K209-A500 PolarHBondContact N-O 3.07Å; K209-A500 PolarHBondContact O-N 3.04Å; K209-A500 VanDerWaalsContact O-O 3.08Å; A211-A500 HydrophobicContact CB-CB 3.51Å; V214-A500 HydrophobicContact CG2-CB 4.29Å
501N57.7Low46.2Very low9 Ų987.9 Ų87.95%0.04844%0.442CS..EExtended strand (participates in β ladder)trans-90.8178.6174.358.143.6000111.6W83 T189 M190 G207 F208 P503W83-N501 HydrophobicContact CD2-CB 4.4Å; W83-N501 WeakPolarHBondContact CH2-ND2 3.18Å; W83-N501 WeakPolarHBondContact CH2-OD1 3.29Å; W83-N501 HydrophobicContact CZ2-CB 4.01Å; W83-N501 VanDerWaalsContact CZ2-ND2 3.27Å; W83-N501 WeakPolarHBondContact CZ2-ND2 3.4Å; W83-N501 WeakPolarHBondContact CZ2-OD1 3.06Å; W83-N501 WeakPolarHBondContact CZ3-ND2 3.35Å; T189-N501 PolarHBondContact OG1-OD1 3.44Å; M190-N501 WeakPolarHBondContact CA-ND2 3.2Å; M190-N501 WeakPolarHBondContact CB-ND2 3.37Å; M190-N501 PolarHBondContact N-ND2 2.87Å; M190-N501 PolarHBondContact N-OD1 2.85Å; M190-N501 PolarHBondContact O-N 3.3Å; M190-N501 PolarHBondContact O-ND2 3.39Å; G207-N501 VanDerWaalsContact O-CB 3.26Å; G207-N501 WeakPolarHBondContact O-CB 3.33Å; F208-N501 HydrophobicContact CD1-CB 3.86Å; F208-N501 HydrophobicContact CE1-CB 4.01Å; N501-P503 WeakPolarHBondContact O-CD 3.45Å
502T54.4Low47.3Very low73 Ų7384.6 Ų84.645%0.44842%0.416SS..  trans-82.7118.8168-56.20000108.4K79K79-T502 WeakPolarHBondContact CE-O 3.22Å; K79-T502 PolarHBondContact NZ-O 3.38Å
503P57.9Low48.3Very low28 Ų2883.2 Ų83.218%0.18240%0.396CS..  trans-55168.2-173.7-29.136.2000115.6K79 Y104 M187 I188 N501K79-P503 PolarHBondContact NZ-O 2.98Å; Y104-P503 WeakPolarHBondContact OH-CB 3.42Å; Y104-P503 VanDerWaalsContact OH-CG 3.32Å; Y104-P503 WeakPolarHBondContact OH-CG 3.25Å; M187-P503 HydrophobicContact CE-CB 3.75Å; I188-P503 WeakPolarHBondContact O-CA 3.33Å; N501-P503 WeakPolarHBondContact O-CD 3.45Å
504I59.3Low49.6Very low12 Ų1275.3 Ų75.36%0.06236%0.364CS..EExtended strand (participates in β ladder)trans-125.5131.4177-56.2167.8000108.4A76 K79 I80 W83 M187 I188 V506A76-I504 HydrophobicContact CB-CG2 3.75Å; K79-I504 HydrophobicContact CB-CD1 3.76Å; K79-I504 HydrophobicContact CB-CG1 4.48Å; K79-I504 HydrophobicContact CD-CD1 3.85Å; K79-I504 HydrophobicContact CD-CG1 3.66Å; K79-I504 VanDerWaalsContact CE-CG1 3.44Å; K79-I504 HydrophobicContact CG-CD1 3.75Å; K79-I504 HydrophobicContact CG-CG1 4.14Å; I80-I504 HydrophobicContact CD1-CD1 3.6Å; I80-I504 HydrophobicContact CG1-CD1 4.32Å; W83-I504 HydrophobicContact CH2-CD1 3.45Å; W83-I504 VanDerWaalsContact CH2-CD1 3.45Å; W83-I504 HydrophobicContact CH2-CG1 3.69Å; W83-I504 HydrophobicContact CZ2-CD1 3.51Å; W83-I504 HydrophobicContact CZ2-CG1 3.65Å; W83-I504 HydrophobicContact CZ3-CD1 4.09Å; M187-I504 CarbonylContact C-O 3.52Å; M187-I504 WeakPolarHBondContact CA-O 3.24Å; I188-I504 HydrophobicContact CG2-CB 3.74Å; I188-I504 HydrophobicContact CG2-CD1 4.34Å; I188-I504 HydrophobicContact CG2-CG1 4.49Å; I188-I504 HydrophobicContact CG2-CG2 4.39Å; I188-I504 PolarHBondContact N-O 2.94Å; I188-I504 PolarHBondContact O-N 3.38Å; I504-V506 HydrophobicContact CG2-CG2 4.33Å
505S49.9Very low50.7Low85 Ų8568.9 Ų68.959%0.59435%0.345SS*.EExtended strand (participates in β ladder)trans-78.1133.1166.3178.30000110M187M187-S505 VanDerWaalsContact SD-CA 3.51Å
506V54.1Low51.9Low9 Ų957.8 Ų57.86%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-124.6104.4178.3-178.90000107.9I49 F50 L186 I188 I504 R508I49-V506 HydrophobicContact CG2-CG1 4.06Å; I49-V506 HydrophobicContact CG2-CG2 4.27Å; I49-V506 WeakPolarHBondContact O-CG1 3.44Å; F50-V506 HydrophobicContact CE1-CG2 4.38Å; L186-V506 PolarHBondContact N-O 2.75Å; L186-V506 VanDerWaalsContact N-O 3.13Å; L186-V506 PolarHBondContact O-N 2.91Å; I188-V506 HydrophobicContact CB-CG2 4.48Å; I188-V506 HydrophobicContact CG2-CG2 3.68Å; I504-V506 HydrophobicContact CG2-CG2 4.33Å; V506-R508 HydrophobicContact CG1-CG 4.12Å
507S49.4Very low52.8Low93 Ų9350.1 Ų50.165%0.6528%0.28SS*.EExtended strand (participates in β ladder)trans-85.9113.3165.355.90000109.1
508R56.2Low53.4Low44 Ų4453.4 Ų53.417%0.16630%0.3CS..  trans-84.9140.5174.3-62.3169.464.2-135.24109.3D48 L182 P183 S184 V506D48-R508 WeakPolarHBondContact O-CD 3.48Å; D48-R508 PolarHBondContact O-NE 3.09Å; D48-R508 IonicContact OD2-CZ 2.8Å; D48-R508 IonicContact OD2-NE 2.66Å; D48-R508 IonicContact OD2-NH2 3.63Å; D48-R508 PolarHBondContact OD2-NH2 3.13Å; L182-R508 PolarHBondContact O-NH1 3.18Å; P183-R508 PolarHBondContact O-NH1 3.01Å; S184-R508 PolarHBondContact O-N 3.14Å; V506-R508 HydrophobicContact CG1-CG 4.12Å
509Q41.5Very low53.4Low254 Ų25456.2 Ų56.2100%1.18732%0.316SS*.  trans-93.30-178.3-68.6-172.8-20.700112.1

Retrieved 509 of 509 residues in 184.5 ms (Link to these results)

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