A0A5F8AJ14_MACMU Loading...

UDP-N-acetylhexosamine pyrophosphorylase

Isoform AGX1 has 2 to 3 times higher activity towards galactosamine 1-phosphate (GalNAc-1-P). Isoform AGX2 has 8 times more activity towards glucosamine 1-phosphate (GlcNAc-1-P).

AlphaFold DB , UniProt , Accession A0A5F8AJ14, Species MACMU (Macaca mulatta, Rhesus macaque), Gene UAP1, Length 522 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
1M65.2Low90.4Very high131 Ų13173.8 Ų73.865%0.64539%0.39SS*.  0123.80-67.8175.7-81.800108I3 V31 Y34M1-I3 PolarHBondContact O-N 2.68Å; M1-V31 HydrophobicContact CE-CB 4.5Å; M1-V31 HydrophobicContact CE-CG2 3.48Å; M1-V31 VanDerWaalsContact CE-CG2 3.48Å; M1-V31 HydrophobicContact SD-CB 4.48Å; M1-V31 HydrophobicContact SD-CG2 3.99Å; M1-Y34 HydrophobicContact CB-CD1 4.22Å; M1-Y34 HydrophobicContact CB-CD2 4.1Å; M1-Y34 HydrophobicContact CB-CE1 4.06Å; M1-Y34 HydrophobicContact CB-CE2 3.95Å; M1-Y34 HydrophobicContact CB-CG 4.24Å; M1-Y34 HydrophobicContact CG-CD1 3.74Å; M1-Y34 HydrophobicContact CG-CD2 4.36Å; M1-Y34 HydrophobicContact CG-CE1 3.88Å; M1-Y34 HydrophobicContact CG-CG 3.99Å; M1-Y34 HydrophobicContact SD-CD1 3.92Å; M1-Y34 HydrophobicContact SD-CD2 4.33Å; M1-Y34 HydrophobicContact SD-CG 3.74Å
2N84.3Confident90.9Very high70 Ų7081.6 Ų81.637%0.37442%0.418SS..  trans-8987.5172.3-169.3-10.1000108.8N4 D5 L6 Y34N2-N4 PolarHBondContact O-N 3.1Å; N2-N4 PolarHBondContact OD1-N 3.42Å; N2-D5 HydrophobicContact CB-CB 4.39Å; N2-D5 VanDerWaalsContact CG-CG 3.42Å; N2-D5 VanDerWaalsContact CG-OD2 3.32Å; N2-D5 PolarHBondContact ND2-OD1 3.24Å; N2-D5 VanDerWaalsContact ND2-OD1 3.1Å; N2-D5 PolarHBondContact ND2-OD2 2.89Å; N2-D5 PolarHBondContact O-N 2.95Å; N2-D5 PolarHBondContact OD1-N 3.37Å; N2-L6 PolarHBondContact O-N 2.83Å; N2-Y34 PolarHBondContact N-OH 3.07Å; N2-Y34 PolarHBondContact O-OH 3.1Å
3I88.8Confident91.4Very high44 Ų4476.3 Ų76.323%0.22639%0.394CS..Hα-helixtrans-65.6-26.8-178.8-170.158000112.3M1 L6 K7 L19 W22 Y34M1-I3 PolarHBondContact O-N 2.68Å; I3-L6 HydrophobicContact CD1-CD2 4.27Å; I3-L6 PolarHBondContact O-N 3.47Å; I3-K7 VanDerWaalsContact O-CB 3.29Å; I3-K7 WeakPolarHBondContact O-CB 3.37Å; I3-K7 PolarHBondContact O-N 3.18Å; I3-L19 HydrophobicContact CD1-CD1 3.94Å; I3-L19 HydrophobicContact CD1-CD2 4.15Å; I3-W22 HydrophobicContact CD1-CD2 3.94Å; I3-W22 HydrophobicContact CD1-CE3 4.11Å; I3-W22 HydrophobicContact CD1-CH2 3.84Å; I3-W22 HydrophobicContact CD1-CZ2 3.66Å; I3-W22 HydrophobicContact CD1-CZ3 4.06Å; I3-W22 HydrophobicContact CG1-CD2 4.4Å; I3-W22 HydrophobicContact CG1-CZ2 4.06Å; I3-Y34 HydrophobicContact CD1-CD2 4.33Å
4N90.8Very high91.8Very high114 Ų11472.7 Ų72.761%0.6139%0.385SS*.Hα-helixtrans-69.1-40.4-179.2-66.9-32.7000111.6N2 K7 L8N2-N4 PolarHBondContact O-N 3.1Å; N2-N4 PolarHBondContact OD1-N 3.42Å; N4-K7 PolarHBondContact O-N 3.47Å; N4-L8 WeakPolarHBondContact O-CB 3.49Å; N4-L8 PolarHBondContact O-N 3.39Å
5D91.4Very high92.3Very high91 Ų9168.1 Ų68.149%0.48736%0.36SS..Hα-helixtrans-65.9-42.2176.2-66.6-6000111.3N2 L8 T9N2-D5 HydrophobicContact CB-CB 4.39Å; N2-D5 VanDerWaalsContact CG-CG 3.42Å; N2-D5 VanDerWaalsContact CG-OD2 3.32Å; N2-D5 PolarHBondContact ND2-OD1 3.24Å; N2-D5 VanDerWaalsContact ND2-OD1 3.1Å; N2-D5 PolarHBondContact ND2-OD2 2.89Å; N2-D5 PolarHBondContact O-N 2.95Å; N2-D5 PolarHBondContact OD1-N 3.37Å; D5-L8 PolarHBondContact O-N 3.31Å; D5-T9 PolarHBondContact O-N 3Å; D5-T9 PolarHBondContact O-OG1 3.26Å
6L92.8Very high92.6Very high13 Ų1370.4 Ų70.47%0.06837%0.369CS..Hα-helixtrans-63.4-44.3175.8-179.662000110.9N2 I3 L8 T9 L10 Y34 L37N2-L6 PolarHBondContact O-N 2.83Å; I3-L6 HydrophobicContact CD1-CD2 4.27Å; I3-L6 PolarHBondContact O-N 3.47Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.41Å; L6-T9 WeakPolarHBondContact O-CB 3.3Å; L6-T9 PolarHBondContact O-N 3.38Å; L6-L10 HydrophobicContact CD1-CD1 4.36Å; L6-L10 HydrophobicContact CD1-CG 4.31Å; L6-L10 HydrophobicContact CG-CD1 4.05Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.88Å; L6-Y34 HydrophobicContact CB-CE2 4.01Å; L6-Y34 HydrophobicContact CD2-CD2 3.49Å; L6-Y34 VanDerWaalsContact CD2-CD2 3.49Å; L6-Y34 HydrophobicContact CD2-CE2 3.77Å; L6-Y34 HydrophobicContact CD2-CG 4.33Å; L6-L37 HydrophobicContact CD1-CB 4.18Å; L6-L37 HydrophobicContact CD2-CB 4.1Å; L6-L37 HydrophobicContact CD2-CD1 4.21Å
7K95.3Very high92.9Very high125 Ų12570 Ų7054%0.54336%0.364SS..Hα-helixtrans-60.1-41.4176.4-170175.4-1751760111.9I3 N4 S11 L19I3-K7 VanDerWaalsContact O-CB 3.29Å; I3-K7 WeakPolarHBondContact O-CB 3.37Å; I3-K7 PolarHBondContact O-N 3.18Å; N4-K7 PolarHBondContact O-N 3.47Å; K7-S11 VanDerWaalsContact O-CB 3.3Å; K7-S11 WeakPolarHBondContact O-CB 3.23Å; K7-S11 PolarHBondContact O-N 3.4Å; K7-L19 HydrophobicContact CB-CD1 4Å; K7-L19 HydrophobicContact CG-CD1 4.25Å
8L95.8Very high93.2Very high97 Ų9766.2 Ų66.251%0.50834%0.344SS..Hα-helixtrans-64.7-41.8175.5-177.364.1000111.8N4 D5 L6 S11 K12N4-L8 WeakPolarHBondContact O-CB 3.49Å; N4-L8 PolarHBondContact O-N 3.39Å; D5-L8 PolarHBondContact O-N 3.31Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.41Å; L8-S11 PolarHBondContact O-N 2.95Å; L8-K12 WeakPolarHBondContact O-CG 3.29Å; L8-K12 PolarHBondContact O-N 3.47Å
9T96.1Very high93.4Very high71 Ų7163.8 Ų63.844%0.43633%0.332SS..Hα-helixtrans-61.1-48.9177-56.80000111D5 L6 S11 K12 A13 F42D5-T9 PolarHBondContact O-N 3Å; D5-T9 PolarHBondContact O-OG1 3.26Å; L6-T9 WeakPolarHBondContact O-CB 3.3Å; L6-T9 PolarHBondContact O-N 3.38Å; T9-S11 PolarHBondContact O-N 2.64Å; T9-K12 PolarHBondContact O-N 3.43Å; T9-A13 PolarHBondContact O-N 3.34Å; T9-A13 VanDerWaalsContact O-N 3.14Å; T9-F42 HydrophobicContact CG2-CD2 4.24Å
10L97.4Very high93.6Very high0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-62-42.4176.6-70.1170.4000112L6 A13 G14 Q15 L18 L19 L37 F42L6-L10 HydrophobicContact CD1-CD1 4.36Å; L6-L10 HydrophobicContact CD1-CG 4.31Å; L6-L10 HydrophobicContact CG-CD1 4.05Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.88Å; L10-A13 CarbonylContact O-C 3.6Å; L10-A13 PolarHBondContact O-N 2.71Å; L10-G14 PolarHBondContact O-N 3.25Å; L10-Q15 HydrophobicContact CD2-CB 3.91Å; L10-Q15 PolarHBondContact O-N 3.08Å; L10-L18 HydrophobicContact CD2-CD1 4.02Å; L10-L19 HydrophobicContact CD1-CD1 3.6Å; L10-L19 HydrophobicContact CD1-CD2 4.29Å; L10-L19 HydrophobicContact CD1-CG 3.6Å; L10-L37 HydrophobicContact CD1-CD1 4.28Å; L10-F42 HydrophobicContact CD2-CD1 4.09Å; L10-F42 HydrophobicContact CD2-CD2 4.14Å; L10-F42 HydrophobicContact CD2-CE1 3.57Å; L10-F42 HydrophobicContact CD2-CE2 3.63Å; L10-F42 HydrophobicContact CD2-CG 4.36Å; L10-F42 HydrophobicContact CD2-CZ 3.32Å
11S96.8Very high93.8Very high56 Ų5663.2 Ų63.239%0.39233%0.326SS..Hα-helixtrans-63.2-44.4179.2-170.10000112K7 L8 T9 A13 G14 E16K7-S11 VanDerWaalsContact O-CB 3.3Å; K7-S11 WeakPolarHBondContact O-CB 3.23Å; K7-S11 PolarHBondContact O-N 3.4Å; L8-S11 PolarHBondContact O-N 2.95Å; T9-S11 PolarHBondContact O-N 2.64Å; S11-A13 VanDerWaalsContact C-N 3.25Å; S11-A13 PolarHBondContact O-N 2.72Å; S11-G14 PolarHBondContact O-N 3.18Å; S11-E16 VanDerWaalsContact CA-OE2 3.31Å; S11-E16 WeakPolarHBondContact CA-OE2 3.17Å; S11-E16 WeakPolarHBondContact CB-OE2 3.33Å; S11-E16 PolarHBondContact OG-OE2 3.45Å
12K96.7Very high95.3Very high167 Ų16758.3 Ų58.373%0.72630%0.3SS*.Hα-helixtrans-59.4-35.7174-73.9176.9179.4179.90112.9L8 T9 G14L8-K12 WeakPolarHBondContact O-CG 3.29Å; L8-K12 PolarHBondContact O-N 3.47Å; T9-K12 PolarHBondContact O-N 3.43Å; K12-G14 VanDerWaalsContact C-N 3.32Å
13A96.9Very high95.9Very high13 Ų1362.3 Ų62.311%0.10732%0.321CS..THydrogen-bonded Turntrans-85.3-2176.600000113.8T9 L10 S11 Q15 F42 N46T9-A13 PolarHBondContact O-N 3.34Å; T9-A13 VanDerWaalsContact O-N 3.14Å; L10-A13 CarbonylContact O-C 3.6Å; L10-A13 PolarHBondContact O-N 2.71Å; S11-A13 VanDerWaalsContact C-N 3.25Å; S11-A13 PolarHBondContact O-N 2.72Å; A13-Q15 VanDerWaalsContact C-N 3.33Å; A13-Q15 HydrophobicContact CB-CG 4.25Å; A13-Q15 PolarHBondContact O-N 2.92Å; A13-F42 HydrophobicContact CB-CB 3.51Å; A13-F42 HydrophobicContact CB-CG 4.36Å; A13-N46 PolarHBondContact O-ND2 3.08Å
14G97.5Very high96.3Very high26 Ų2665.8 Ų65.827%0.26834%0.337SS..THydrogen-bonded Turntrans68.526.1-17600000114.5L10 S11 K12 K207L10-G14 PolarHBondContact O-N 3.25Å; S11-G14 PolarHBondContact O-N 3.18Å; K12-G14 VanDerWaalsContact C-N 3.32Å; G14-K207 PolarHBondContact O-NZ 3.27Å
15Q98.4Very high96.6Very high3 Ų361.1 Ų61.11%0.01431%0.311CS..  trans-116.520.4-177.2-55.6-65.2-21.200112.7L10 A13 H17 L18 F42 N46 G206 I208L10-Q15 HydrophobicContact CD2-CB 3.91Å; L10-Q15 PolarHBondContact O-N 3.08Å; A13-Q15 VanDerWaalsContact C-N 3.33Å; A13-Q15 HydrophobicContact CB-CG 4.25Å; A13-Q15 PolarHBondContact O-N 2.92Å; Q15-H17 PolarHBondContact O-N 3.33Å; Q15-H17 VanDerWaalsContact O-N 3.15Å; Q15-H17 PolarHBondContact OE1-CE1 3.44Å; Q15-L18 HydrophobicContact CB-CD1 4.11Å; Q15-L18 HydrophobicContact CB-CG 4.49Å; Q15-L18 WeakPolarHBondContact O-CB 3.43Å; Q15-L18 WeakPolarHBondContact O-CG 3.4Å; Q15-L18 PolarHBondContact O-N 2.86Å; Q15-L18 VanDerWaalsContact O-N 3.16Å; Q15-F42 HydrophobicContact CB-CD1 4.32Å; Q15-F42 HydrophobicContact CG-CD1 4.1Å; Q15-N46 PolarHBondContact NE2-OD1 2.95Å; Q15-G206 PolarHBondContact NE2-O 3.04Å; Q15-I208 HydrophobicContact CG-CD1 4.18Å
16E97.3Very high96.9Very high106 Ų10663.3 Ų63.350%0.49532%0.319SS..G310 helixtrans-61-20.8-178.460.6-162.8-149.900114.9S11 L18 L19S11-E16 VanDerWaalsContact CA-OE2 3.31Å; S11-E16 WeakPolarHBondContact CA-OE2 3.17Å; S11-E16 WeakPolarHBondContact CB-OE2 3.33Å; S11-E16 PolarHBondContact OG-OE2 3.45Å; E16-L18 PolarHBondContact O-N 3.35Å; E16-L19 PolarHBondContact O-N 2.98Å; E16-L19 VanDerWaalsContact O-N 3.17Å
17H97.8Very high97Very high63 Ų6370.3 Ų70.329%0.29235%0.351SS..G310 helixtrans-64.4-17.917669-76000113Q15 L19 H20 I208Q15-H17 PolarHBondContact O-N 3.33Å; Q15-H17 VanDerWaalsContact O-N 3.15Å; Q15-H17 PolarHBondContact OE1-CE1 3.44Å; H17-L19 PolarHBondContact O-N 3.49Å; H17-L19 VanDerWaalsContact O-N 3.16Å; H17-H20 WeakPolarHBondContact O-CB 2.98Å; H17-H20 PolarHBondContact O-N 3.14Å; H17-I208 PolarHBondContact NE2-O 3.03Å
18L98.1Very high97.1Very high1 Ų167.9 Ų67.91%0.00535%0.354CS..G310 helixtrans-63.5-17.6174.7-62.2-179.7000113L10 Q15 E16 L37 F42 I208 L210L10-L18 HydrophobicContact CD2-CD1 4.02Å; Q15-L18 HydrophobicContact CB-CD1 4.11Å; Q15-L18 HydrophobicContact CB-CG 4.49Å; Q15-L18 WeakPolarHBondContact O-CB 3.43Å; Q15-L18 WeakPolarHBondContact O-CG 3.4Å; Q15-L18 PolarHBondContact O-N 2.86Å; Q15-L18 VanDerWaalsContact O-N 3.16Å; E16-L18 PolarHBondContact O-N 3.35Å; L18-L37 HydrophobicContact CB-CD1 4.33Å; L18-L37 HydrophobicContact CB-CD2 4.28Å; L18-L37 HydrophobicContact CD1-CD2 3.63Å; L18-F42 HydrophobicContact CD1-CE1 3.96Å; L18-I208 HydrophobicContact CD1-CB 4.07Å; L18-I208 HydrophobicContact CD1-CD1 4.11Å; L18-I208 HydrophobicContact CD1-CG2 4.04Å; L18-I208 HydrophobicContact CD2-CB 3.96Å; L18-I208 HydrophobicContact CD2-CG2 3.75Å; L18-I208 HydrophobicContact CG-CB 4.49Å; L18-L210 HydrophobicContact CD2-CD2 3.92Å; L18-L210 HydrophobicContact CD2-CG 3.88Å
19L97.7Very high97.1Very high22 Ų2266.1 Ų66.112%0.11534%0.344CS..G310 helixtrans-102.411.5174.9-61.2179.6000113.2I3 K7 L10 E16 H17 F21 W22 L33 L37I3-L19 HydrophobicContact CD1-CD1 3.94Å; I3-L19 HydrophobicContact CD1-CD2 4.15Å; K7-L19 HydrophobicContact CB-CD1 4Å; K7-L19 HydrophobicContact CG-CD1 4.25Å; L10-L19 HydrophobicContact CD1-CD1 3.6Å; L10-L19 HydrophobicContact CD1-CD2 4.29Å; L10-L19 HydrophobicContact CD1-CG 3.6Å; E16-L19 PolarHBondContact O-N 2.98Å; E16-L19 VanDerWaalsContact O-N 3.17Å; H17-L19 PolarHBondContact O-N 3.49Å; H17-L19 VanDerWaalsContact O-N 3.16Å; L19-F21 VanDerWaalsContact C-N 3.26Å; L19-F21 PolarHBondContact O-N 3.3Å; L19-W22 HydrophobicContact CB-CB 4.32Å; L19-W22 HydrophobicContact CD2-CD2 4.27Å; L19-W22 HydrophobicContact CD2-CE3 3.61Å; L19-W22 HydrophobicContact CD2-CZ3 4.19Å; L19-W22 VanDerWaalsContact O-CB 3.24Å; L19-W22 WeakPolarHBondContact O-CB 3.37Å; L19-W22 PolarHBondContact O-N 3.2Å; L19-W22 VanDerWaalsContact O-N 3.07Å; L19-L33 HydrophobicContact CD2-CD2 4.38Å; L19-L37 HydrophobicContact CD2-CD1 3.87Å
20H96.8Very high97.2Very high107 Ų10764.7 Ų64.750%0.49533%0.332SS..THydrogen-bonded Turntrans-54.6-41.7-177.3178.778.4000112.6H17 T363H17-H20 WeakPolarHBondContact O-CB 2.98Å; H17-H20 PolarHBondContact O-N 3.14Å; H20-T363 PolarHBondContact NE2-O 3.49Å
21F97.8Very high97.1Very high8 Ų868.3 Ų68.34%0.03535%0.354CS..THydrogen-bonded Turntrans-913.4-179.3-62.2-68.3000114.5L19 N23 E24 L25 L210 K213 V361 D362L19-F21 VanDerWaalsContact C-N 3.26Å; L19-F21 PolarHBondContact O-N 3.3Å; F21-N23 VanDerWaalsContact C-N 3.26Å; F21-N23 PolarHBondContact O-N 2.77Å; F21-N23 VanDerWaalsContact O-N 3.08Å; F21-E24 WeakPolarHBondContact O-CA 3.28Å; F21-E24 WeakPolarHBondContact O-CB 3.44Å; F21-E24 PolarHBondContact O-N 3.24Å; F21-L25 WeakPolarHBondContact O-CG 3.31Å; F21-L25 PolarHBondContact O-N 3.32Å; F21-L210 HydrophobicContact CD2-CD1 4.32Å; F21-K213 HydrophobicContact CB-CB 3.83Å; F21-K213 HydrophobicContact CB-CD 4.19Å; F21-K213 HydrophobicContact CB-CG 4.12Å; F21-K213 HydrophobicContact CD1-CD 3.89Å; F21-K213 HydrophobicContact CD1-CG 4.08Å; F21-K213 HydrophobicContact CD2-CB 4.07Å; F21-K213 HydrophobicContact CD2-CG 3.91Å; F21-K213 HydrophobicContact CE1-CD 4.48Å; F21-K213 HydrophobicContact CE2-CG 4.38Å; F21-K213 HydrophobicContact CG-CB 3.95Å; F21-K213 HydrophobicContact CG-CD 3.97Å; F21-K213 HydrophobicContact CG-CG 3.75Å; F21-V361 HydrophobicContact CE2-CG1 4.09Å; F21-V361 HydrophobicContact CE2-CG2 4.2Å; F21-V361 HydrophobicContact CZ-CG2 4.36Å; F21-D362 WeakPolarHBondContact CZ-O 3.41Å
22W97.3Very high97Very high28 Ų2870 Ų7011%0.10636%0.356CS..G310 helixtrans-52.5-41-168.3-178.4-90.8000114.1I3 L19 E24 L25 Q30 L33 Y34I3-W22 HydrophobicContact CD1-CD2 3.94Å; I3-W22 HydrophobicContact CD1-CE3 4.11Å; I3-W22 HydrophobicContact CD1-CH2 3.84Å; I3-W22 HydrophobicContact CD1-CZ2 3.66Å; I3-W22 HydrophobicContact CD1-CZ3 4.06Å; I3-W22 HydrophobicContact CG1-CD2 4.4Å; I3-W22 HydrophobicContact CG1-CZ2 4.06Å; L19-W22 HydrophobicContact CB-CB 4.32Å; L19-W22 HydrophobicContact CD2-CD2 4.27Å; L19-W22 HydrophobicContact CD2-CE3 3.61Å; L19-W22 HydrophobicContact CD2-CZ3 4.19Å; L19-W22 VanDerWaalsContact O-CB 3.24Å; L19-W22 WeakPolarHBondContact O-CB 3.37Å; L19-W22 PolarHBondContact O-N 3.2Å; L19-W22 VanDerWaalsContact O-N 3.07Å; W22-E24 PolarHBondContact O-N 3.28Å; W22-L25 HydrophobicContact CE3-CD1 4.43Å; W22-L25 PolarHBondContact O-N 3.39Å; W22-Q30 HydrophobicContact CD2-CG 4.16Å; W22-Q30 HydrophobicContact CE3-CG 4.33Å; W22-Q30 HydrophobicContact CH2-CB 3.52Å; W22-Q30 HydrophobicContact CH2-CG 3.99Å; W22-Q30 VanDerWaalsContact CH2-O 3.24Å; W22-Q30 WeakPolarHBondContact CH2-O 3.32Å; W22-Q30 HydrophobicContact CZ2-CB 3.65Å; W22-Q30 HydrophobicContact CZ2-CG 3.79Å; W22-Q30 HydrophobicContact CZ3-CB 4.02Å; W22-Q30 HydrophobicContact CZ3-CG 4.26Å; W22-Q30 WeakPolarHBondContact CZ3-O 3.45Å; W22-Q30 PolarHBondContact O-NE2 3.48Å; W22-L33 HydrophobicContact CE3-CD2 4.05Å; W22-L33 HydrophobicContact CZ3-CB 4.41Å; W22-L33 HydrophobicContact CZ3-CD2 4.24Å; W22-L33 HydrophobicContact CZ3-CG 4.48Å; W22-Y34 HydrophobicContact CH2-CD2 4.37Å
23N96.6Very high97Very high153 Ų15362.1 Ų62.182%0.81832%0.321SS*.G310 helixtrans-75.2-11.1-178.7-63.6-25.5000113.9F21F21-N23 VanDerWaalsContact C-N 3.26Å; F21-N23 PolarHBondContact O-N 2.77Å; F21-N23 VanDerWaalsContact O-N 3.08Å
24E96.8Very high97Very high117 Ų11762.9 Ų62.955%0.54732%0.322SS..G310 helixtrans-95.5-11.2176-58176.7-15600112.3F21 W22 K213F21-E24 WeakPolarHBondContact O-CA 3.28Å; F21-E24 WeakPolarHBondContact O-CB 3.44Å; F21-E24 PolarHBondContact O-N 3.24Å; W22-E24 PolarHBondContact O-N 3.28Å; E24-K213 IonicContact OE2-NZ 2.68Å; E24-K213 PolarHBondContact OE2-NZ 2.99Å
25L97.1Very high96.9Very high16 Ų1664.3 Ų64.38%0.08433%0.331CS..SBendtrans-80.5145.2-176.4-61.6-174.6000111.9F21 W22 Q29 Q30 L33 K213 N214F21-L25 WeakPolarHBondContact O-CG 3.31Å; F21-L25 PolarHBondContact O-N 3.32Å; W22-L25 HydrophobicContact CE3-CD1 4.43Å; W22-L25 PolarHBondContact O-N 3.39Å; L25-Q29 HydrophobicContact CB-CB 4.06Å; L25-Q29 HydrophobicContact CD2-CB 4.43Å; L25-Q30 HydrophobicContact CB-CG 3.67Å; L25-Q30 HydrophobicContact CD1-CG 4.36Å; L25-Q30 PolarHBondContact O-NE2 2.94Å; L25-L33 HydrophobicContact CD1-CD2 3.88Å; L25-K213 HydrophobicContact CD2-CB 3.73Å; L25-N214 HydrophobicContact CD1-CB 3.73Å; L25-N214 HydrophobicContact CD2-CB 3.83Å; L25-N214 HydrophobicContact CG-CB 4.39Å
26E97.6Very high96.8Very high137 Ų13765.8 Ų65.864%0.6434%0.338SS*.  trans-66.4156.1165.8-61.6-178.7179.800110.8A28 Q29 Q30E26-A28 PolarHBondContact O-N 2.9Å; E26-Q29 HydrophobicContact CB-CG 4.29Å; E26-Q29 WeakPolarHBondContact O-CB 3.26Å; E26-Q29 PolarHBondContact O-N 3.38Å; E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 2.93Å
27E96.1Very high96.7Very high161 Ų16160.7 Ų60.775%0.75231%0.314SS*.Hα-helixtrans-56.1-39.3-179-66.9-177.3177.600112.6Q29 Q30 V31E27-Q29 PolarHBondContact O-N 2.96Å; E27-Q30 WeakPolarHBondContact O-CB 3.44Å; E27-Q30 PolarHBondContact O-N 3.5Å; E27-V31 WeakPolarHBondContact O-CG2 3.18Å; E27-V31 PolarHBondContact O-N 3.2Å
28A96.3Very high96.6Very high73 Ų7363.8 Ų63.860%0.60333%0.329SS*.Hα-helixtrans-64.2-40.6176.800000112.3E26 V31 E32E26-A28 PolarHBondContact O-N 2.9Å; A28-V31 PolarHBondContact O-N 3.02Å; A28-E32 PolarHBondContact O-N 3.06Å; A28-E32 VanDerWaalsContact O-N 3.1Å
29Q96.9Very high96.4Very high61 Ų6167.9 Ų67.929%0.28536%0.362SS..Hα-helixtrans-68.3-37.5177-68.9176.1-37.600111.7L25 E26 E27 V31 E32 L33 N214L25-Q29 HydrophobicContact CB-CB 4.06Å; L25-Q29 HydrophobicContact CD2-CB 4.43Å; E26-Q29 HydrophobicContact CB-CG 4.29Å; E26-Q29 WeakPolarHBondContact O-CB 3.26Å; E26-Q29 PolarHBondContact O-N 3.38Å; E27-Q29 PolarHBondContact O-N 2.96Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; Q29-E32 PolarHBondContact O-N 3.27Å; Q29-L33 WeakPolarHBondContact O-CB 3.43Å; Q29-L33 PolarHBondContact O-N 2.91Å; Q29-N214 HydrophobicContact CB-CB 3.81Å; Q29-N214 HydrophobicContact CG-CB 4.39Å
30Q96.9Very high96.3Very high40 Ų4068.2 Ų68.219%0.18736%0.364CS..Hα-helixtrans-61.5-43.5173.2-72.4-179.6-3.800111.5W22 L25 E26 E27 Y34W22-Q30 HydrophobicContact CD2-CG 4.16Å; W22-Q30 HydrophobicContact CE3-CG 4.33Å; W22-Q30 HydrophobicContact CH2-CB 3.52Å; W22-Q30 HydrophobicContact CH2-CG 3.99Å; W22-Q30 VanDerWaalsContact CH2-O 3.24Å; W22-Q30 WeakPolarHBondContact CH2-O 3.32Å; W22-Q30 HydrophobicContact CZ2-CB 3.65Å; W22-Q30 HydrophobicContact CZ2-CG 3.79Å; W22-Q30 HydrophobicContact CZ3-CB 4.02Å; W22-Q30 HydrophobicContact CZ3-CG 4.26Å; W22-Q30 WeakPolarHBondContact CZ3-O 3.45Å; W22-Q30 PolarHBondContact O-NE2 3.48Å; L25-Q30 HydrophobicContact CB-CG 3.67Å; L25-Q30 HydrophobicContact CD1-CG 4.36Å; L25-Q30 PolarHBondContact O-NE2 2.94Å; E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 2.93Å; E27-Q30 WeakPolarHBondContact O-CB 3.44Å; E27-Q30 PolarHBondContact O-N 3.5Å; Q30-Y34 WeakPolarHBondContact O-CB 3.24Å; Q30-Y34 PolarHBondContact O-N 3.39Å
31V96.1Very high96.2Very high77 Ų7767.2 Ų67.247%0.46736%0.362SS..Hα-helixtrans-60.9-45.9176.6171.30000111.2M1 E27 A28 Q29 Y34 A35M1-V31 HydrophobicContact CE-CB 4.5Å; M1-V31 HydrophobicContact CE-CG2 3.48Å; M1-V31 VanDerWaalsContact CE-CG2 3.48Å; M1-V31 HydrophobicContact SD-CB 4.48Å; M1-V31 HydrophobicContact SD-CG2 3.99Å; E27-V31 WeakPolarHBondContact O-CG2 3.18Å; E27-V31 PolarHBondContact O-N 3.2Å; A28-V31 PolarHBondContact O-N 3.02Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; V31-Y34 PolarHBondContact O-N 3.17Å; V31-A35 WeakPolarHBondContact O-CB 3.24Å; V31-A35 PolarHBondContact O-N 3.39Å
32E94.9Very high96.2Very high91 Ų9167.2 Ų67.243%0.42536%0.362SS..Hα-helixtrans-62.1-52.2179-171.2-172.6167.500111.7A28 Q29 Y34 A35 E36 N214 K215A28-E32 PolarHBondContact O-N 3.06Å; A28-E32 VanDerWaalsContact O-N 3.1Å; Q29-E32 PolarHBondContact O-N 3.27Å; E32-Y34 VanDerWaalsContact C-N 3.31Å; E32-Y34 PolarHBondContact O-N 3.25Å; E32-A35 PolarHBondContact O-N 3.35Å; E32-E36 PolarHBondContact O-N 3.35Å; E32-N214 PolarHBondContact OE2-ND2 3.49Å; E32-K215 IonicContact OE1-NZ 3.29Å; E32-K215 PolarHBondContact OE1-NZ 3.48Å
33L96.9Very high96.1Very high1 Ų173.5 Ų73.51%0.00539%0.393CS..Hα-helixtrans-61.2-41.8-179.9179.862.2000111.1L19 W22 L25 Q29 A35 E36 L37 N214 V216L19-L33 HydrophobicContact CD2-CD2 4.38Å; W22-L33 HydrophobicContact CE3-CD2 4.05Å; W22-L33 HydrophobicContact CZ3-CB 4.41Å; W22-L33 HydrophobicContact CZ3-CD2 4.24Å; W22-L33 HydrophobicContact CZ3-CG 4.48Å; L25-L33 HydrophobicContact CD1-CD2 3.88Å; Q29-L33 WeakPolarHBondContact O-CB 3.43Å; Q29-L33 PolarHBondContact O-N 2.91Å; L33-A35 PolarHBondContact O-N 3.02Å; L33-E36 PolarHBondContact O-N 2.91Å; L33-L37 HydrophobicContact CD1-CD1 3.79Å; L33-L37 HydrophobicContact CD1-CD2 4.32Å; L33-L37 HydrophobicContact CD1-CG 3.83Å; L33-L37 HydrophobicContact CD2-CD1 4.34Å; L33-L37 HydrophobicContact CG-CD1 3.78Å; L33-L37 HydrophobicContact CG-CG 4.2Å; L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.43Å; L33-N214 HydrophobicContact CB-CB 4.33Å; L33-N214 WeakPolarHBondContact CB-O 3.42Å; L33-V216 HydrophobicContact CD1-CG2 4.47Å
34Y96.9Very high96Very high30 Ų3069 Ų6912%0.11837%0.367CS..Hα-helixtrans-60.1-46.3178-174.7-92.1000111.8M1 N2 I3 L6 W22 Q30 V31 E32 L37 Q38M1-Y34 HydrophobicContact CB-CD1 4.22Å; M1-Y34 HydrophobicContact CB-CD2 4.1Å; M1-Y34 HydrophobicContact CB-CE1 4.06Å; M1-Y34 HydrophobicContact CB-CE2 3.95Å; M1-Y34 HydrophobicContact CB-CG 4.24Å; M1-Y34 HydrophobicContact CG-CD1 3.74Å; M1-Y34 HydrophobicContact CG-CD2 4.36Å; M1-Y34 HydrophobicContact CG-CE1 3.88Å; M1-Y34 HydrophobicContact CG-CG 3.99Å; M1-Y34 HydrophobicContact SD-CD1 3.92Å; M1-Y34 HydrophobicContact SD-CD2 4.33Å; M1-Y34 HydrophobicContact SD-CG 3.74Å; N2-Y34 PolarHBondContact N-OH 3.07Å; N2-Y34 PolarHBondContact O-OH 3.1Å; I3-Y34 HydrophobicContact CD1-CD2 4.33Å; L6-Y34 HydrophobicContact CB-CE2 4.01Å; L6-Y34 HydrophobicContact CD2-CD2 3.49Å; L6-Y34 VanDerWaalsContact CD2-CD2 3.49Å; L6-Y34 HydrophobicContact CD2-CE2 3.77Å; L6-Y34 HydrophobicContact CD2-CG 4.33Å; W22-Y34 HydrophobicContact CH2-CD2 4.37Å; Q30-Y34 WeakPolarHBondContact O-CB 3.24Å; Q30-Y34 PolarHBondContact O-N 3.39Å; V31-Y34 PolarHBondContact O-N 3.17Å; E32-Y34 VanDerWaalsContact C-N 3.31Å; E32-Y34 PolarHBondContact O-N 3.25Å; Y34-L37 PolarHBondContact O-N 3.32Å; Y34-Q38 VanDerWaalsContact CE1-OE1 3.27Å; Y34-Q38 VanDerWaalsContact O-CB 3.23Å; Y34-Q38 WeakPolarHBondContact O-CB 3.22Å; Y34-Q38 PolarHBondContact O-N 3.35Å
35A95.1Very high95.9Very high56 Ų5663.9 Ų63.946%0.46334%0.343SS..Hα-helixtrans-63.6-42.8179.100000111.9V31 E32 L33 A39V31-A35 WeakPolarHBondContact O-CB 3.24Å; V31-A35 PolarHBondContact O-N 3.39Å; E32-A35 PolarHBondContact O-N 3.35Å; L33-A35 PolarHBondContact O-N 3.02Å; A35-A39 PolarHBondContact O-N 3.2Å
36E94.9Very high95.8Very high33 Ų3364.8 Ų64.815%0.15435%0.348CS..Hα-helixtrans-62.3-48.4176.8-179.3168.7-108.300111.8E32 L33 Q38 A39 M40 K215 V216E32-E36 PolarHBondContact O-N 3.35Å; L33-E36 PolarHBondContact O-N 2.91Å; E36-Q38 PolarHBondContact O-N 3.08Å; E36-A39 PolarHBondContact O-N 2.65Å; E36-M40 HydrophobicContact CG-CE 3.89Å; E36-K215 WeakPolarHBondContact OE1-CE 3.33Å; E36-K215 IonicContact OE1-NZ 2.88Å; E36-K215 PolarHBondContact OE1-NZ 3.5Å; E36-K215 IonicContact OE2-NZ 3.79Å; E36-V216 HydrophobicContact CG-CG2 4.49Å; E36-V216 WeakPolarHBondContact OE2-CB 3.48Å; E36-V216 PolarHBondContact OE2-N 2.95Å
37L96.6Very high95.7Very high0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-68.1-35.3-179.6-66.3177.8000112.7L6 L10 L18 L19 L33 Y34 A39 M40 F42 V216L6-L37 HydrophobicContact CD1-CB 4.18Å; L6-L37 HydrophobicContact CD2-CB 4.1Å; L6-L37 HydrophobicContact CD2-CD1 4.21Å; L10-L37 HydrophobicContact CD1-CD1 4.28Å; L18-L37 HydrophobicContact CB-CD1 4.33Å; L18-L37 HydrophobicContact CB-CD2 4.28Å; L18-L37 HydrophobicContact CD1-CD2 3.63Å; L19-L37 HydrophobicContact CD2-CD1 3.87Å; L33-L37 HydrophobicContact CD1-CD1 3.79Å; L33-L37 HydrophobicContact CD1-CD2 4.32Å; L33-L37 HydrophobicContact CD1-CG 3.83Å; L33-L37 HydrophobicContact CD2-CD1 4.34Å; L33-L37 HydrophobicContact CG-CD1 3.78Å; L33-L37 HydrophobicContact CG-CG 4.2Å; L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.43Å; Y34-L37 PolarHBondContact O-N 3.32Å; L37-A39 PolarHBondContact O-N 3.35Å; L37-M40 HydrophobicContact CD2-SD 4.37Å; L37-M40 PolarHBondContact O-N 2.91Å; L37-F42 HydrophobicContact CB-CZ 4.26Å; L37-F42 HydrophobicContact CD2-CE1 4.47Å; L37-F42 HydrophobicContact CD2-CZ 4.05Å; L37-F42 WeakPolarHBondContact O-CE2 3.38Å; L37-F42 WeakPolarHBondContact O-CZ 3.32Å; L37-V216 HydrophobicContact CD2-CG2 3.78Å
38Q95.3Very high95.6Very high127 Ų12755.4 Ų55.459%0.59331%0.306SS*.Hα-helixtrans-67.7-26.8178.3-170.1178.114.500112.4Y34 E36 M40Y34-Q38 VanDerWaalsContact CE1-OE1 3.27Å; Y34-Q38 VanDerWaalsContact O-CB 3.23Å; Y34-Q38 WeakPolarHBondContact O-CB 3.22Å; Y34-Q38 PolarHBondContact O-N 3.35Å; E36-Q38 PolarHBondContact O-N 3.08Å; Q38-M40 VanDerWaalsContact C-N 3.28Å; Q38-M40 PolarHBondContact O-N 3.44Å
39A93.6Very high95.5Very high87 Ų8752.9 Ų52.972%0.71928%0.282SS*.THydrogen-bonded Turntrans-78.6-8.6177.200000113.6A35 E36 L37A35-A39 PolarHBondContact O-N 3.2Å; E36-A39 PolarHBondContact O-N 2.65Å; L37-A39 PolarHBondContact O-N 3.35Å
40M94.8Very high95.3Very high29 Ų2955.2 Ų55.214%0.14329%0.292CS..  trans-92.8138.3-177.4-67.1-179.1177.500112.6E36 L37 Q38 F42 L45 V216 M218E36-M40 HydrophobicContact CG-CE 3.89Å; L37-M40 HydrophobicContact CD2-SD 4.37Å; L37-M40 PolarHBondContact O-N 2.91Å; Q38-M40 VanDerWaalsContact C-N 3.28Å; Q38-M40 PolarHBondContact O-N 3.44Å; M40-F42 HydrophobicContact CB-CE1 4.05Å; M40-F42 HydrophobicContact CB-CE2 4.12Å; M40-F42 HydrophobicContact CB-CZ 3.8Å; M40-F42 HydrophobicContact SD-CE1 4.14Å; M40-F42 HydrophobicContact SD-CZ 4.31Å; M40-L45 HydrophobicContact CB-CD1 4.27Å; M40-V216 HydrophobicContact CE-CB 4.05Å; M40-V216 HydrophobicContact CE-CG1 3.94Å; M40-V216 HydrophobicContact CE-CG2 4.14Å; M40-M218 HydrophobicContact CE-CE 3.71Å; M40-M218 HydrophobicContact CE-CG 4.34Å; M40-M218 HydrophobicContact CE-SD 3.31Å; M40-M218 WeakPolarHBondContact CE-SD 3.45Å
41N95.7Very high95Very high86 Ų8659.3 Ų59.346%0.4631%0.31SS..  trans-94.990.8170-172.2-18.2000110.6E43 E44 L45N41-E43 VanDerWaalsContact C-N 3.29Å; N41-E43 PolarHBondContact O-N 3.05Å; N41-E43 PolarHBondContact OD1-N 3.4Å; N41-E44 HydrophobicContact CB-CB 4.02Å; N41-E44 PolarHBondContact O-N 2.89Å; N41-E44 PolarHBondContact OD1-N 3.5Å; N41-L45 VanDerWaalsContact O-CG 3.28Å; N41-L45 WeakPolarHBondContact O-CG 3.5Å; N41-L45 PolarHBondContact O-N 3.1Å
42F96.8Very high94.5Very high9 Ų956 Ų564%0.03929%0.29CS..Hα-helixtrans-65.1-28.7-175.8-60-76.7000114.3T9 L10 A13 Q15 L18 L37 M40 L45 N46 I208T9-F42 HydrophobicContact CG2-CD2 4.24Å; L10-F42 HydrophobicContact CD2-CD1 4.09Å; L10-F42 HydrophobicContact CD2-CD2 4.14Å; L10-F42 HydrophobicContact CD2-CE1 3.57Å; L10-F42 HydrophobicContact CD2-CE2 3.63Å; L10-F42 HydrophobicContact CD2-CG 4.36Å; L10-F42 HydrophobicContact CD2-CZ 3.32Å; A13-F42 HydrophobicContact CB-CB 3.51Å; A13-F42 HydrophobicContact CB-CG 4.36Å; Q15-F42 HydrophobicContact CB-CD1 4.32Å; Q15-F42 HydrophobicContact CG-CD1 4.1Å; L18-F42 HydrophobicContact CD1-CE1 3.96Å; L37-F42 HydrophobicContact CB-CZ 4.26Å; L37-F42 HydrophobicContact CD2-CE1 4.47Å; L37-F42 HydrophobicContact CD2-CZ 4.05Å; L37-F42 WeakPolarHBondContact O-CE2 3.38Å; L37-F42 WeakPolarHBondContact O-CZ 3.32Å; M40-F42 HydrophobicContact CB-CE1 4.05Å; M40-F42 HydrophobicContact CB-CE2 4.12Å; M40-F42 HydrophobicContact CB-CZ 3.8Å; M40-F42 HydrophobicContact SD-CE1 4.14Å; M40-F42 HydrophobicContact SD-CZ 4.31Å; F42-L45 HydrophobicContact CD1-CD1 4.35Å; F42-N46 WeakPolarHBondContact O-CB 3.46Å; F42-N46 PolarHBondContact O-N 3.5Å; F42-I208 HydrophobicContact CD1-CD1 3.77Å; F42-I208 HydrophobicContact CE1-CD1 3.77Å
43E95.7Very high94Very high159 Ų15953.4 Ų53.474%0.74328%0.279SS*.Hα-helixtrans-67.7-45.4175.7-65.1-179.3-173.200110.6N41 N46 L47N41-E43 VanDerWaalsContact C-N 3.29Å; N41-E43 PolarHBondContact O-N 3.05Å; N41-E43 PolarHBondContact OD1-N 3.4Å; E43-N46 PolarHBondContact O-N 2.87Å; E43-L47 PolarHBondContact O-N 3.4Å; E43-L47 VanDerWaalsContact O-N 3.08Å
44E94.4Very high93.4Very high58 Ų5858.9 Ų58.927%0.27130%0.304SS..Hα-helixtrans-64.3-42.8175.5-170.4-176.8-150.700111.5N41 N46 L47 F48 R228N41-E44 HydrophobicContact CB-CB 4.02Å; N41-E44 PolarHBondContact O-N 2.89Å; N41-E44 PolarHBondContact OD1-N 3.5Å; E44-N46 PolarHBondContact O-N 3.24Å; E44-L47 WeakPolarHBondContact O-CB 3.23Å; E44-L47 PolarHBondContact O-N 2.85Å; E44-L47 VanDerWaalsContact O-N 3.16Å; E44-F48 VanDerWaalsContact CD-CZ 3.4Å; E44-F48 HydrophobicContact CG-CD1 4.35Å; E44-F48 HydrophobicContact CG-CD2 4.2Å; E44-F48 HydrophobicContact CG-CE1 3.78Å; E44-F48 HydrophobicContact CG-CE2 3.61Å; E44-F48 HydrophobicContact CG-CZ 3.39Å; E44-F48 WeakPolarHBondContact O-CG 3.27Å; E44-F48 PolarHBondContact O-N 3.11Å; E44-F48 WeakPolarHBondContact OE1-CZ 3.33Å; E44-R228 IonicContact OE1-CZ 3.84Å; E44-R228 VanDerWaalsContact OE1-CZ 3.3Å; E44-R228 IonicContact OE1-NH1 3.02Å; E44-R228 PolarHBondContact OE1-NH1 3.15Å; E44-R228 IonicContact OE1-NH2 3.75Å; E44-R228 PolarHBondContact OE1-NH2 2.88Å; E44-R228 IonicContact OE2-NH1 3.59Å
45L95.8Very high92.1Very high10 Ų1059.9 Ų59.95%0.05232%0.323CS..Hα-helixtrans-60.6-42.6177.5-70.7172.4000112.5M40 N41 F42 L47 F48 F49 L199 P200 I208M40-L45 HydrophobicContact CB-CD1 4.27Å; N41-L45 VanDerWaalsContact O-CG 3.28Å; N41-L45 WeakPolarHBondContact O-CG 3.5Å; N41-L45 PolarHBondContact O-N 3.1Å; F42-L45 HydrophobicContact CD1-CD1 4.35Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-F48 PolarHBondContact O-N 3.3Å; L45-F49 WeakPolarHBondContact O-CB 3.4Å; L45-F49 PolarHBondContact O-N 3.37Å; L45-L199 HydrophobicContact CD2-CD2 3.49Å; L45-L199 VanDerWaalsContact CD2-CD2 3.49Å; L45-P200 HydrophobicContact CD1-CG 3.77Å; L45-P200 HydrophobicContact CD2-CG 3.79Å; L45-P200 HydrophobicContact CG-CG 4.38Å; L45-I208 HydrophobicContact CD1-CD1 4.01Å
46N95.4Very high90.9Very high35 Ų3561.7 Ų61.719%0.18732%0.321CS..Hα-helixtrans-64.3-40.5175.2-78.5-16.5000111.5A13 Q15 F42 E43 E44 F49 Q50A13-N46 PolarHBondContact O-ND2 3.08Å; Q15-N46 PolarHBondContact NE2-OD1 2.95Å; F42-N46 WeakPolarHBondContact O-CB 3.46Å; F42-N46 PolarHBondContact O-N 3.5Å; E43-N46 PolarHBondContact O-N 2.87Å; E44-N46 PolarHBondContact O-N 3.24Å; N46-F49 PolarHBondContact O-N 3.15Å; N46-Q50 WeakPolarHBondContact O-CB 3.41Å; N46-Q50 VanDerWaalsContact O-CG 3.24Å; N46-Q50 WeakPolarHBondContact O-CG 3.29Å; N46-Q50 PolarHBondContact O-N 2.92Å
47L94.5Very high89.4Confident81 Ų8165.4 Ų65.442%0.42434%0.342SS..Hα-helixtrans-63-43175.5-17966.2000111.7E43 E44 L45 Q50 K51E43-L47 PolarHBondContact O-N 3.4Å; E43-L47 VanDerWaalsContact O-N 3.08Å; E44-L47 WeakPolarHBondContact O-CB 3.23Å; E44-L47 PolarHBondContact O-N 2.85Å; E44-L47 VanDerWaalsContact O-N 3.16Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L47-Q50 PolarHBondContact O-N 3.19Å; L47-K51 WeakPolarHBondContact O-CG 3.46Å; L47-K51 PolarHBondContact O-N 3.37Å; L47-K51 VanDerWaalsContact O-N 3.08Å
48F94.1Very high87.5Confident20 Ų2069.7 Ų69.79%0.08836%0.362CS..Hα-helixtrans-60.9-47.8175.1-68-17.6000111.5E44 L45 Q50 K51 A52 L199 H351 M378E44-F48 VanDerWaalsContact CD-CZ 3.4Å; E44-F48 HydrophobicContact CG-CD1 4.35Å; E44-F48 HydrophobicContact CG-CD2 4.2Å; E44-F48 HydrophobicContact CG-CE1 3.78Å; E44-F48 HydrophobicContact CG-CE2 3.61Å; E44-F48 HydrophobicContact CG-CZ 3.39Å; E44-F48 WeakPolarHBondContact O-CG 3.27Å; E44-F48 PolarHBondContact O-N 3.11Å; E44-F48 WeakPolarHBondContact OE1-CZ 3.33Å; L45-F48 PolarHBondContact O-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.37Å; F48-K51 PolarHBondContact O-N 2.98Å; F48-A52 WeakPolarHBondContact O-CB 3.25Å; F48-A52 PolarHBondContact O-N 3.04Å; F48-L199 HydrophobicContact CD2-CD2 4.19Å; F48-L199 HydrophobicContact CE2-CD2 4.38Å; F48-H351 AromaticContact CD1-CD2 3.87Å; F48-H351 AromaticContact CD1-NE2 3.73Å; F48-H351 AromaticContact CD2-NE2 3.59Å; F48-H351 AromaticContact CE1-NE2 3.86Å; F48-H351 AromaticContact CE2-NE2 3.72Å; F48-H351 AromaticContact CG-CD2 3.77Å; F48-H351 AromaticContact CG-NE2 3.58Å; F48-H351 AromaticContact CZ-NE2 3.83Å; F48-M378 HydrophobicContact CB-CE 4.22Å; F48-M378 HydrophobicContact CB-SD 4.03Å
49F93.9Very high85.3Confident21 Ų2167.8 Ų67.89%0.09236%0.363CS..Hα-helixtrans-59.6-45.8178.5-177.1-94.5000112.2L45 N46 A52 I53 M202 S203 I376L45-F49 WeakPolarHBondContact O-CB 3.4Å; L45-F49 PolarHBondContact O-N 3.37Å; N46-F49 PolarHBondContact O-N 3.15Å; F49-A52 PolarHBondContact O-N 3.45Å; F49-I53 HydrophobicContact CD1-CG1 4.16Å; F49-I53 HydrophobicContact CD2-CG1 4.33Å; F49-I53 HydrophobicContact CE1-CG1 3.66Å; F49-I53 HydrophobicContact CE2-CD1 4.16Å; F49-I53 HydrophobicContact CE2-CG1 3.87Å; F49-I53 HydrophobicContact CG-CG1 4.46Å; F49-I53 HydrophobicContact CZ-CD1 3.95Å; F49-I53 HydrophobicContact CZ-CG1 3.49Å; F49-I53 VanDerWaalsContact CZ-CG1 3.49Å; F49-I53 WeakPolarHBondContact O-CB 3.16Å; F49-I53 WeakPolarHBondContact O-CG1 3.33Å; F49-I53 PolarHBondContact O-N 3.01Å; F49-M202 HydrophobicContact CB-CE 3.72Å; F49-M202 HydrophobicContact CB-SD 3.81Å; F49-M202 HydrophobicContact CD2-CB 3.85Å; F49-M202 HydrophobicContact CD2-CE 3.75Å; F49-M202 HydrophobicContact CD2-CG 4.39Å; F49-M202 HydrophobicContact CD2-SD 3.69Å; F49-M202 HydrophobicContact CE2-CB 3.98Å; F49-M202 HydrophobicContact CG-CE 3.74Å; F49-M202 HydrophobicContact CG-SD 4.05Å; F49-S203 VanDerWaalsContact CE2-O 3.3Å; F49-S203 WeakPolarHBondContact CE2-O 3.43Å; F49-S203 WeakPolarHBondContact CZ-O 3.24Å; F49-I376 HydrophobicContact CD2-CD1 3.78Å; F49-I376 HydrophobicContact CD2-CG1 4.47Å; F49-I376 HydrophobicContact CE2-CD1 3.58Å; F49-I376 HydrophobicContact CE2-CG1 4.09Å
50Q93Very high83Confident109 Ų10967.7 Ų67.751%0.50936%0.357SS..Hα-helixtrans-58.6-51.8178.1-74.4169.41.200111.4N46 L47 F48 A52 I53 E54N46-Q50 WeakPolarHBondContact O-CB 3.41Å; N46-Q50 VanDerWaalsContact O-CG 3.24Å; N46-Q50 WeakPolarHBondContact O-CG 3.29Å; N46-Q50 PolarHBondContact O-N 2.92Å; L47-Q50 PolarHBondContact O-N 3.19Å; F48-Q50 PolarHBondContact O-N 3.37Å; Q50-A52 VanDerWaalsContact C-N 3.33Å; Q50-A52 PolarHBondContact O-N 3.02Å; Q50-I53 PolarHBondContact O-N 2.87Å; Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.46Å; Q50-E54 PolarHBondContact O-N 2.91Å
51K90Very high80.9Confident127 Ų12771 Ų7155%0.55237%0.372SS*.Hα-helixtrans-60.7-42.2177.8-73.7-177.1175.3-177.60112.5L47 F48 E54 G55L47-K51 WeakPolarHBondContact O-CG 3.46Å; L47-K51 PolarHBondContact O-N 3.37Å; L47-K51 VanDerWaalsContact O-N 3.08Å; F48-K51 PolarHBondContact O-N 2.98Å; K51-E54 PolarHBondContact O-N 3.4Å; K51-G55 PolarHBondContact O-N 3.25Å
52A87Confident78.8Confident6 Ų671.1 Ų71.15%0.0537%0.369CS..Hα-helixtrans-63.4-43.6-179.700000112F48 F49 Q50 F56 V353 M378F48-A52 WeakPolarHBondContact O-CB 3.25Å; F48-A52 PolarHBondContact O-N 3.04Å; F49-A52 PolarHBondContact O-N 3.45Å; Q50-A52 VanDerWaalsContact C-N 3.33Å; Q50-A52 PolarHBondContact O-N 3.02Å; A52-F56 WeakPolarHBondContact O-CB 3.31Å; A52-F56 PolarHBondContact O-N 3.28Å; A52-V353 HydrophobicContact CB-CG2 3.57Å; A52-M378 HydrophobicContact CB-CG 4.19Å; A52-M378 HydrophobicContact CB-SD 3.84Å
53I84.6Confident76.8Confident37 Ų3779.1 Ų79.119%0.1940%0.404CS..Hα-helixtrans-72.1-37.9177.3-68.1-61.6000112.2F49 Q50 F56 N57 I376F49-I53 HydrophobicContact CD1-CG1 4.16Å; F49-I53 HydrophobicContact CD2-CG1 4.33Å; F49-I53 HydrophobicContact CE1-CG1 3.66Å; F49-I53 HydrophobicContact CE2-CD1 4.16Å; F49-I53 HydrophobicContact CE2-CG1 3.87Å; F49-I53 HydrophobicContact CG-CG1 4.46Å; F49-I53 HydrophobicContact CZ-CD1 3.95Å; F49-I53 HydrophobicContact CZ-CG1 3.49Å; F49-I53 VanDerWaalsContact CZ-CG1 3.49Å; F49-I53 WeakPolarHBondContact O-CB 3.16Å; F49-I53 WeakPolarHBondContact O-CG1 3.33Å; F49-I53 PolarHBondContact O-N 3.01Å; Q50-I53 PolarHBondContact O-N 2.87Å; I53-F56 PolarHBondContact O-N 3.19Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.49Å; I53-N57 WeakPolarHBondContact O-CB 3.45Å; I53-N57 PolarHBondContact O-N 2.53Å; I53-N57 PolarHBondContact O-ND2 2.86Å; I53-I376 HydrophobicContact CD1-CD1 4.09Å
54E83.1Confident75.4Confident117 Ų11775.1 Ų75.155%0.54739%0.388SS..Hα-helixtrans-58.7-47.2173.4-77.8175.3-175.700111.2Q50 K51 F56 Q58Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.46Å; Q50-E54 PolarHBondContact O-N 2.91Å; K51-E54 PolarHBondContact O-N 3.4Å; E54-F56 PolarHBondContact O-N 2.93Å; E54-Q58 VanDerWaalsContact O-CG 3.25Å; E54-Q58 WeakPolarHBondContact O-CG 3.47Å; E54-Q58 PolarHBondContact O-N 3.37Å
55G70.4Confident74.8Confident50 Ų5074.2 Ų74.252%0.51539%0.387SS..Hα-helixtrans-63.2-39.7176.100000113.3K51K51-G55 PolarHBondContact O-N 3.25Å
56F69.6Low74.3Confident95 Ų9574.3 Ų74.342%0.41739%0.387SS..Hα-helixtrans-67.8-43.4178.9-174-98.3000113.1A52 I53 E54 Q58 V353A52-F56 WeakPolarHBondContact O-CB 3.31Å; A52-F56 PolarHBondContact O-N 3.28Å; I53-F56 PolarHBondContact O-N 3.19Å; E54-F56 PolarHBondContact O-N 2.93Å; F56-Q58 VanDerWaalsContact C-N 3.3Å; F56-Q58 PolarHBondContact O-N 3.26Å; F56-V353 HydrophobicContact CD2-CB 4.36Å; F56-V353 HydrophobicContact CD2-CG1 4.35Å
57N64.3Low73.9Confident111 Ų11176.5 Ų76.559%0.59441%0.41SS*.Hα-helixtrans-72.5-24.5-178.9-74.2-28.2000112.6I53 S59I53-N57 WeakPolarHBondContact CG2-ND2 3.49Å; I53-N57 WeakPolarHBondContact O-CB 3.45Å; I53-N57 PolarHBondContact O-N 2.53Å; I53-N57 PolarHBondContact O-ND2 2.86Å; N57-S59 PolarHBondContact O-N 3.13Å
58Q56.1Low73.9Confident89 Ų8976.9 Ų76.942%0.41641%0.406SS..  trans-7640.5171-68.9179.522.400112.8E54 F56 S60 H61E54-Q58 VanDerWaalsContact O-CG 3.25Å; E54-Q58 WeakPolarHBondContact O-CG 3.47Å; E54-Q58 PolarHBondContact O-N 3.37Å; F56-Q58 VanDerWaalsContact C-N 3.3Å; F56-Q58 PolarHBondContact O-N 3.26Å; Q58-S60 PolarHBondContact O-N 3.46Å; Q58-H61 WeakPolarHBondContact O-CB 3.17Å; Q58-H61 PolarHBondContact O-N 2.89Å
59S48.3Very low74Confident87 Ų8776.7 Ų76.761%0.60841%0.405SS*.THydrogen-bonded Turntrans-52.8-7.9173.5560000115.5N57 H61N57-S59 PolarHBondContact O-N 3.13Å; S59-H61 VanDerWaalsContact C-N 3.31Å
60S45.8Very low74.2Confident85 Ų8579.6 Ų79.659%0.59442%0.419SS*.THydrogen-bonded Turntrans-68.8-22.1163.853.30000114Q58Q58-S60 PolarHBondContact O-N 3.46Å
61H50.3Low74.4Confident98 Ų9877.2 Ų77.245%0.45441%0.413SS..THydrogen-bonded Turntrans-76.4-24.7176.2-81.451.5000113.5Q58 S59 K63 N64 V65Q58-H61 WeakPolarHBondContact O-CB 3.17Å; Q58-H61 PolarHBondContact O-N 2.89Å; S59-H61 VanDerWaalsContact C-N 3.31Å; H61-K63 VanDerWaalsContact C-N 3.35Å; H61-K63 PolarHBondContact O-N 3.27Å; H61-N64 CarbonylContact O-C 3.52Å; H61-N64 WeakPolarHBondContact O-CA 3.41Å; H61-N64 VanDerWaalsContact O-CB 3.23Å; H61-N64 WeakPolarHBondContact O-CB 3.46Å; H61-N64 PolarHBondContact O-N 3.29Å; H61-V65 PolarHBondContact O-N 3.29Å
62Q52.7Low74.8Confident89 Ų8972 Ų7242%0.41639%0.392SS..Hα-helixtrans-59.7-46176-150.789.137.300111.2N64 V65 D66 E306Q62-N64 PolarHBondContact O-N 3.5Å; Q62-V65 PolarHBondContact O-N 3.49Å; Q62-D66 PolarHBondContact O-N 2.84Å; Q62-E306 VanDerWaalsContact NE2-CA 3.31Å; Q62-E306 VanDerWaalsContact NE2-CB 3.34Å; Q62-E306 PolarHBondContact NE2-O 3.35Å
63K54.4Low75.2Confident177 Ų17773 Ų7377%0.7740%0.398SS*.Hα-helixtrans-62.1-25.4172.8-76.3-176.6177.6177.90112.6H61 A67H61-K63 VanDerWaalsContact C-N 3.35Å; H61-K63 PolarHBondContact O-N 3.27Å; K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.39Å; K63-A67 PolarHBondContact O-N 3.16Å
64N66.6Low75.8Confident75 Ų7580.3 Ų80.340%0.40142%0.423SS..Hα-helixtrans-81.3-35.4-179.4-158.61.6000112.1H61 Q62 R68H61-N64 CarbonylContact O-C 3.52Å; H61-N64 WeakPolarHBondContact O-CA 3.41Å; H61-N64 VanDerWaalsContact O-CB 3.23Å; H61-N64 WeakPolarHBondContact O-CB 3.46Å; H61-N64 PolarHBondContact O-N 3.29Å; Q62-N64 PolarHBondContact O-N 3.5Å; N64-R68 VanDerWaalsContact O-CG 3.29Å; N64-R68 WeakPolarHBondContact O-CG 3.32Å; N64-R68 PolarHBondContact O-NE 3.47Å; N64-R68 PolarHBondContact OD1-NE 2.94Å
65V80.9Confident76.4Confident40 Ų4082.2 Ų82.224%0.24243%0.432CS..Hα-helixtrans-68.6-52.6172.9179.30000109.9H61 Q62 A67 R68 M69 V295 V302H61-V65 PolarHBondContact O-N 3.29Å; Q62-V65 PolarHBondContact O-N 3.49Å; V65-A67 PolarHBondContact O-N 2.85Å; V65-A67 VanDerWaalsContact O-N 3.12Å; V65-R68 CarbonylContact O-C 3.55Å; V65-R68 PolarHBondContact O-N 3.37Å; V65-M69 HydrophobicContact CG1-CG 4.3Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 3.38Å; V65-V295 HydrophobicContact CG1-CG2 4.25Å; V65-V302 HydrophobicContact CG1-CG2 4.25Å
66D85.1Confident77.7Confident11 Ų1181.2 Ų81.26%0.05942%0.416CS..Hα-helixtrans-52.6-36.9178.6-87.158.5000114Q62 R68 S308 T311Q62-D66 PolarHBondContact O-N 2.84Å; D66-R68 VanDerWaalsContact C-N 3.3Å; D66-S308 WeakPolarHBondContact OD2-CB 3.49Å; D66-S308 PolarHBondContact OD2-N 3.43Å; D66-S308 VanDerWaalsContact OD2-N 3.15Å; D66-S308 PolarHBondContact OD2-OG 2.87Å; D66-T311 WeakPolarHBondContact OD2-CB 3.41Å; D66-T311 PolarHBondContact OD2-OG1 2.88Å
67A88.2Confident79.1Confident81 Ų8178 Ų7867%0.66940%0.403SS*.Hα-helixtrans-72.7-22.5179.800000113.4K63 V65K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.39Å; K63-A67 PolarHBondContact O-N 3.16Å; V65-A67 PolarHBondContact O-N 2.85Å; V65-A67 VanDerWaalsContact O-N 3.12Å
68R93.4Very high80.7Confident90 Ų9072.9 Ų72.934%0.3438%0.376SS..Hα-helixtrans-105.8-2.6-177.3-61.9-180-59148.311.5113.1N64 V65 D66 E70 V295 D296N64-R68 VanDerWaalsContact O-CG 3.29Å; N64-R68 WeakPolarHBondContact O-CG 3.32Å; N64-R68 PolarHBondContact O-NE 3.47Å; N64-R68 PolarHBondContact OD1-NE 2.94Å; V65-R68 CarbonylContact O-C 3.55Å; V65-R68 PolarHBondContact O-N 3.37Å; D66-R68 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 3.12Å; R68-V295 HydrophobicContact CB-CG1 4.01Å; R68-D296 WeakPolarHBondContact CD-OD1 3.28Å; R68-D296 IonicContact CZ-OD1 2.88Å; R68-D296 IonicContact CZ-OD2 2.72Å; R68-D296 VanDerWaalsContact CZ-OD2 3.26Å; R68-D296 VanDerWaalsContact NH1-CG 3.27Å; R68-D296 IonicContact NH1-OD1 2.72Å; R68-D296 PolarHBondContact NH1-OD1 3.2Å; R68-D296 IonicContact NH1-OD2 2.79Å; R68-D296 PolarHBondContact NH1-OD2 2.98Å; R68-D296 IonicContact NH2-OD2 2.7Å
69M96.1Very high82.7Confident16 Ų1668.7 Ų68.78%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-65.9128.7175.6-74.6173.672.600111.3V65 V291 C293 V295 V302 I307 T311 F323V65-M69 HydrophobicContact CG1-CG 4.3Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 3.38Å; M69-V291 HydrophobicContact CE-CG2 3.9Å; M69-C293 HydrophobicContact CE-CB 4.22Å; M69-V295 HydrophobicContact CB-CG2 4.43Å; M69-V295 HydrophobicContact CG-CG2 3.8Å; M69-V302 HydrophobicContact CE-CB 3.94Å; M69-V302 HydrophobicContact CE-CG1 4.33Å; M69-V302 HydrophobicContact CE-CG2 3.83Å; M69-V302 HydrophobicContact CG-CG2 4.37Å; M69-V302 HydrophobicContact SD-CB 4.36Å; M69-V302 HydrophobicContact SD-CG1 4.29Å; M69-V302 HydrophobicContact SD-CG2 3.93Å; M69-I307 HydrophobicContact CE-CD1 4.13Å; M69-T311 HydrophobicContact CE-CG2 4.34Å; M69-T311 HydrophobicContact SD-CG2 4.12Å; M69-F323 HydrophobicContact CB-CE1 3.69Å; M69-F323 HydrophobicContact CB-CZ 3.57Å; M69-F323 HydrophobicContact CE-CD1 3.92Å; M69-F323 HydrophobicContact CE-CE1 3.95Å; M69-F323 HydrophobicContact CE-CG 4.28Å; M69-F323 HydrophobicContact CE-CZ 4.34Å; M69-F323 WeakPolarHBondContact O-CZ 3.34Å
70E97.7Very high85.1Confident81 Ų8165.4 Ų65.438%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-117.8143.8172-64175.6-17400109.6R68 C293 R294R68-E70 PolarHBondContact O-N 3.12Å; E70-C293 WeakPolarHBondContact O-CB 3.3Å; E70-R294 HydrophobicContact CB-CB 4.38Å; E70-R294 PolarHBondContact N-O 3.43Å; E70-R294 PolarHBondContact O-N 3.02Å; E70-R294 IonicContact OE2-CZ 2.69Å; E70-R294 VanDerWaalsContact OE2-CZ 3.29Å; E70-R294 IonicContact OE2-NE 2.64Å; E70-R294 PolarHBondContact OE2-NE 2.88Å; E70-R294 IonicContact OE2-NH2 3.07Å; E70-R294 PolarHBondContact OE2-NH2 2.84Å
71P97.7Very high87.5Confident59 Ų5965 Ų6538%0.38333%0.329SS..PPolyproline II helixtrans-64.1159.6174.330.2-36.5000111L322P71-L322 HydrophobicContact CB-CD1 4.33Å; P71-L322 HydrophobicContact CG-CD1 4.03Å
72V97.5Very high89.8Confident18 Ų1866.3 Ų66.311%0.10933%0.33CS..PPolyproline II helixtrans-61.5125.9174.4-179.10000109.3V76 L77 V292 A325 V394V72-V76 HydrophobicContact CG1-CG2 3.56Å; V72-L77 HydrophobicContact CB-CD1 4.3Å; V72-L77 HydrophobicContact CG1-CB 4.2Å; V72-L77 HydrophobicContact CG1-CD1 4.12Å; V72-V292 HydrophobicContact CG2-CB 4.19Å; V72-V292 HydrophobicContact CG2-CG1 3.88Å; V72-V292 WeakPolarHBondContact CG2-O 3.34Å; V72-A325 HydrophobicContact CG2-CB 4.23Å; V72-V394 HydrophobicContact CG1-CB 4.15Å; V72-V394 HydrophobicContact CG1-CG2 3.72Å; V72-V394 HydrophobicContact CG2-CG2 4.29Å
73P97.1Very high91.9Very high26 Ų2664.5 Ų64.517%0.16932%0.323CS..PPolyproline II helixtrans-70146.8179.629.9-32.3000110.5E75 V76 Y299P73-E75 WeakPolarHBondContact CB-OE2 3.35Å; P73-E75 PolarHBondContact O-N 2.67Å; P73-V76 HydrophobicContact CG-CG2 3.99Å; P73-V76 WeakPolarHBondContact O-CG2 3.32Å; P73-V76 PolarHBondContact O-N 2.9Å; P73-Y299 HydrophobicContact CG-CE1 4.36Å; P73-Y299 VanDerWaalsContact CG-OH 3.29Å; P73-Y299 WeakPolarHBondContact CG-OH 3.27Å
74R95.4Very high93.9Very high192 Ų19262.8 Ų62.873%0.72532%0.318SS*.G310 helixtrans-63.2-26.7-173-73.6-170.4173.4-155.6-1112.7V76 L77R74-V76 PolarHBondContact O-N 3.27Å; R74-L77 PolarHBondContact O-N 3.2Å
75E96.8Very high95.4Very high157 Ų15765 Ų6573%0.73433%0.33SS*.G310 helixtrans-64.4-25.6-176.4-62.871-154.800113P73P73-E75 WeakPolarHBondContact CB-OE2 3.35Å; P73-E75 PolarHBondContact O-N 2.67Å
76V97.9Very high96.2Very high28 Ų2866.9 Ų66.917%0.1734%0.336CS..G310 helixtrans-104.7-2.4178.8-54.10000113.1V72 P73 R74 Y299 V393 V394V72-V76 HydrophobicContact CG1-CG2 3.56Å; P73-V76 HydrophobicContact CG-CG2 3.99Å; P73-V76 WeakPolarHBondContact O-CG2 3.32Å; P73-V76 PolarHBondContact O-N 2.9Å; R74-V76 PolarHBondContact O-N 3.27Å; V76-Y299 WeakPolarHBondContact CG1-OH 3.41Å; V76-Y299 HydrophobicContact CG2-CE1 4Å; V76-Y299 WeakPolarHBondContact CG2-OH 3.21Å; V76-V393 WeakPolarHBondContact O-CA 3.44Å; V76-V394 PolarHBondContact O-N 3.16Å
77L98.3Very high96.8Very high28 Ų2867.3 Ų67.315%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-107.5108-173.4-169.3157.2000110.4V72 R74 V394 E396V72-L77 HydrophobicContact CB-CD1 4.3Å; V72-L77 HydrophobicContact CG1-CB 4.2Å; V72-L77 HydrophobicContact CG1-CD1 4.12Å; R74-L77 PolarHBondContact O-N 3.2Å; L77-V394 CarbonylContact C-O 3.52Å; L77-V394 WeakPolarHBondContact CA-O 3.35Å; L77-V394 HydrophobicContact CB-CB 4.46Å; L77-V394 HydrophobicContact CD1-CG1 4.28Å; L77-V394 HydrophobicContact CG-CB 4.29Å; L77-V394 HydrophobicContact CG-CG1 4.21Å; L77-E396 HydrophobicContact CD2-CB 4.4Å
78G98.3Very high97.3Very high4 Ų469.2 Ų69.24%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-90156165.400000111.4D83 V394 Y395 E396G78-D83 WeakPolarHBondContact CA-OD2 3.47Å; G78-V394 PolarHBondContact N-O 2.8Å; G78-Y395 WeakPolarHBondContact O-CA 3.45Å; G78-E396 PolarHBondContact O-N 3.33Å
79S98.6Very high97.6Very high1 Ų166.9 Ų66.91%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-140.9126.5-178.5177.50000111T81 R82 D83 E396S79-T81 PolarHBondContact O-N 3.38Å; S79-T81 VanDerWaalsContact O-N 3.12Å; S79-R82 PolarHBondContact O-N 2.99Å; S79-R82 PolarHBondContact OG-N 3.02Å; S79-R82 PolarHBondContact OG-NE 3.16Å; S79-D83 PolarHBondContact N-OD2 3.42Å; S79-D83 WeakPolarHBondContact O-CB 3.44Å; S79-D83 PolarHBondContact O-N 3Å; S79-E396 WeakPolarHBondContact CA-O 3.43Å; S79-E396 WeakPolarHBondContact CB-OE2 3.29Å; S79-E396 PolarHBondContact OG-OE2 2.79Å
80A97.6Very high97.7Very high18 Ų1866.5 Ų66.515%0.14933%0.331CS..THydrogen-bonded Turntrans-60.2-25.1179.100000113.1L87 E396 V397A80-L87 HydrophobicContact CB-CD2 4.21Å; A80-E396 PolarHBondContact N-O 3.15Å; A80-V397 HydrophobicContact CB-CG1 4.3Å
81T97.2Very high97.8Very high76 Ų7664.6 Ų64.647%0.46632%0.322SS..THydrogen-bonded Turntrans-88.4-44.3179.3-46.30000112.2S79S79-T81 PolarHBondContact O-N 3.38Å; S79-T81 VanDerWaalsContact O-N 3.12Å
82R97.6Very high97.8Very high126 Ų12664 Ų6448%0.47532%0.319SS..THydrogen-bonded Turntrans-81.2-32-175.2-68.3175.4-82146.8-10.8112.9S79 E396S79-R82 PolarHBondContact O-N 2.99Å; S79-R82 PolarHBondContact OG-N 3.02Å; S79-R82 PolarHBondContact OG-NE 3.16Å; R82-E396 IonicContact CZ-OE2 3.87Å; R82-E396 IonicContact NE-OE2 3.82Å; R82-E396 IonicContact NH2-OE2 2.87Å; R82-E396 PolarHBondContact NH2-OE2 3.44Å
83D97.6Very high97.9Very high50 Ų5065.4 Ų65.427%0.26732%0.324SS..THydrogen-bonded Turntrans-106.437.2-177.7-49.4-48.8000110.3G78 S79 D85 Q86 W90G78-D83 WeakPolarHBondContact CA-OD2 3.47Å; S79-D83 PolarHBondContact N-OD2 3.42Å; S79-D83 WeakPolarHBondContact O-CB 3.44Å; S79-D83 PolarHBondContact O-N 3Å; D83-D85 PolarHBondContact O-N 2.86Å; D83-D85 VanDerWaalsContact O-N 3.16Å; D83-Q86 PolarHBondContact O-N 3.28Å; D83-W90 HydrophobicContact CB-CH2 3.52Å; D83-W90 HydrophobicContact CB-CZ2 4.41Å; D83-W90 HydrophobicContact CB-CZ3 4.14Å
84Q96.8Very high98Very high142 Ų14264.1 Ų64.166%0.66432%0.316SS*.G310 helixtrans-58.3-30.6-173.5-166.2-179.92.800112.3Q86 L87Q84-Q86 PolarHBondContact O-N 2.69Å; Q84-L87 HydrophobicContact CG-CD1 3.9Å; Q84-L87 WeakPolarHBondContact O-CB 3.32Å; Q84-L87 WeakPolarHBondContact O-CG 3.21Å; Q84-L87 PolarHBondContact O-N 3.07Å
85D97.6Very high98.1Very high121 Ų12155.5 Ų55.565%0.64728%0.284SS*.G310 helixtrans-64.4-24177.165.4-55.5000113.3D83D83-D85 PolarHBondContact O-N 2.86Å; D83-D85 VanDerWaalsContact O-N 3.16Å
86Q98.3Very high98.2Very high79 Ų7951.6 Ų51.637%0.36927%0.265SS..G310 helixtrans-91.9-13.2179.7-59.3-62.6-57.700113.3D83 Q84 Q88 A89 W90D83-Q86 PolarHBondContact O-N 3.28Å; Q84-Q86 PolarHBondContact O-N 2.69Å; Q86-Q88 VanDerWaalsContact C-N 3.3Å; Q86-Q88 PolarHBondContact O-N 3.41Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.33Å; Q86-W90 HydrophobicContact CB-CD2 4.08Å; Q86-W90 HydrophobicContact CB-CE3 4.39Å; Q86-W90 HydrophobicContact CB-CH2 3.86Å; Q86-W90 HydrophobicContact CB-CZ2 3.46Å; Q86-W90 VanDerWaalsContact CB-CZ2 3.46Å; Q86-W90 HydrophobicContact CB-CZ3 4.26Å; Q86-W90 HydrophobicContact CG-CZ2 4.11Å; Q86-W90 PolarHBondContact O-N 2.89Å
87L98.2Very high98.3Very high21 Ų2151.1 Ų51.111%0.1126%0.261CS..Hα-helixtrans-55.9-42.1-173.2-71.6-177000113.1A80 Q84 A89 W90 E91 Y395A80-L87 HydrophobicContact CB-CD2 4.21Å; Q84-L87 HydrophobicContact CG-CD1 3.9Å; Q84-L87 WeakPolarHBondContact O-CB 3.32Å; Q84-L87 WeakPolarHBondContact O-CG 3.21Å; Q84-L87 PolarHBondContact O-N 3.07Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-W90 HydrophobicContact CD2-CE3 3.77Å; L87-W90 HydrophobicContact CD2-CZ3 3.92Å; L87-W90 PolarHBondContact O-N 3.21Å; L87-E91 VanDerWaalsContact O-CB 3.31Å; L87-E91 WeakPolarHBondContact O-CB 3.15Å; L87-E91 PolarHBondContact O-N 3.35Å; L87-Y395 VanDerWaalsContact CD2-OH 3.23Å; L87-Y395 WeakPolarHBondContact CD2-OH 3.15Å
88Q98.4Very high98.3Very high120 Ų12049.8 Ų49.856%0.56125%0.254SS*.Hα-helixtrans-64.9-38.3-179.9-173.660.244.600111.7Q86 S92Q86-Q88 VanDerWaalsContact C-N 3.3Å; Q86-Q88 PolarHBondContact O-N 3.41Å; Q88-S92 PolarHBondContact NE2-OG 2.87Å; Q88-S92 VanDerWaalsContact O-CB 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.4Å; Q88-S92 PolarHBondContact O-N 2.93Å; Q88-S92 PolarHBondContact O-OG 3.04Å
89A98.8Very high98.4Very high42 Ų4249.7 Ų49.735%0.34725%0.252SS..Hα-helixtrans-66.6-43.5177.500000110.8Q86 L87 S92 E93 Q270Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.33Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-S92 PolarHBondContact O-N 3.16Å; A89-E93 PolarHBondContact O-N 3.33Å; A89-E93 VanDerWaalsContact O-N 3.08Å; A89-Q270 PolarHBondContact O-NE2 2.93Å; A89-Q270 VanDerWaalsContact O-NE2 3.08Å
90W98.9Very high98.4Very high8 Ų853.7 Ų53.73%0.0327%0.271CS..Hα-helixtrans-63.9-47.1175.5-60.4-21.9000111.9D83 Q86 L87 S92 E93 G94 G266 F267 Y395D83-W90 HydrophobicContact CB-CH2 3.52Å; D83-W90 HydrophobicContact CB-CZ2 4.41Å; D83-W90 HydrophobicContact CB-CZ3 4.14Å; Q86-W90 HydrophobicContact CB-CD2 4.08Å; Q86-W90 HydrophobicContact CB-CE3 4.39Å; Q86-W90 HydrophobicContact CB-CH2 3.86Å; Q86-W90 HydrophobicContact CB-CZ2 3.46Å; Q86-W90 VanDerWaalsContact CB-CZ2 3.46Å; Q86-W90 HydrophobicContact CB-CZ3 4.26Å; Q86-W90 HydrophobicContact CG-CZ2 4.11Å; Q86-W90 PolarHBondContact O-N 2.89Å; L87-W90 HydrophobicContact CD2-CE3 3.77Å; L87-W90 HydrophobicContact CD2-CZ3 3.92Å; L87-W90 PolarHBondContact O-N 3.21Å; W90-S92 VanDerWaalsContact C-N 3.31Å; W90-S92 PolarHBondContact O-N 3.45Å; W90-E93 PolarHBondContact O-N 2.88Å; W90-G94 PolarHBondContact O-N 3.01Å; W90-G266 WeakPolarHBondContact O-CA 3.19Å; W90-F267 HydrophobicContact CD2-CB 3.97Å; W90-F267 HydrophobicContact CD2-CD2 4.23Å; W90-F267 AromaticContact CE2-CD2 3.84Å; W90-F267 HydrophobicContact CE3-CB 4.28Å; W90-F267 HydrophobicContact CE3-CD2 4.46Å; W90-F267 HydrophobicContact CG-CB 4.07Å; W90-F267 AromaticContact CH2-CD2 3.97Å; W90-F267 HydrophobicContact CH2-CD2 3.97Å; W90-F267 HydrophobicContact CH2-CE2 4.46Å; W90-F267 AromaticContact CZ2-CD2 3.7Å; W90-F267 HydrophobicContact CZ2-CD2 3.7Å; W90-F267 HydrophobicContact CZ2-CE2 4.3Å; W90-F267 HydrophobicContact CZ3-CD2 4.38Å; W90-Y395 AromaticContact CE3-CE2 3.84Å; W90-Y395 HydrophobicContact CE3-CE2 3.84Å; W90-Y395 HydrophobicContact CH2-CE2 4.28Å; W90-Y395 AromaticContact CZ3-CE2 3.51Å; W90-Y395 HydrophobicContact CZ3-CE2 3.51Å
91E98.9Very high98.4Very high41 Ų4155.7 Ų55.719%0.19228%0.279CS..Hα-helixtrans-58.8-43.6177.5-170.5171.9126.500111.9L87 E93 G94 L95 P262 R263L87-E91 VanDerWaalsContact O-CB 3.31Å; L87-E91 WeakPolarHBondContact O-CB 3.15Å; L87-E91 PolarHBondContact O-N 3.35Å; E91-E93 PolarHBondContact O-N 3.41Å; E91-G94 PolarHBondContact O-N 3.39Å; E91-L95 HydrophobicContact CG-CD1 4.1Å; E91-L95 HydrophobicContact CG-CG 4.46Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 WeakPolarHBondContact O-CG 3.29Å; E91-L95 PolarHBondContact O-N 3.08Å; E91-P262 HydrophobicContact CG-CB 4.27Å; E91-P262 HydrophobicContact CG-CG 4.01Å; E91-R263 HydrophobicContact CB-CG 3.87Å; E91-R263 HydrophobicContact CG-CG 4.29Å; E91-R263 IonicContact OE2-CZ 3.33Å; E91-R263 VanDerWaalsContact OE2-CZ 3.23Å; E91-R263 IonicContact OE2-NE 3.94Å; E91-R263 PolarHBondContact OE2-NE 3.1Å; E91-R263 IonicContact OE2-NH2 3.61Å; E91-R263 PolarHBondContact OE2-NH2 3.26Å
92S98.8Very high98.5Very high45 Ų4556.1 Ų56.132%0.31528%0.275SS..Hα-helixtrans-62.4-43.8178.7-56.60000111.6Q88 A89 W90 F96 Y154Q88-S92 PolarHBondContact NE2-OG 2.87Å; Q88-S92 VanDerWaalsContact O-CB 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.4Å; Q88-S92 PolarHBondContact O-N 2.93Å; Q88-S92 PolarHBondContact O-OG 3.04Å; A89-S92 PolarHBondContact O-N 3.16Å; W90-S92 VanDerWaalsContact C-N 3.31Å; W90-S92 PolarHBondContact O-N 3.45Å; S92-F96 VanDerWaalsContact O-CB 3.29Å; S92-F96 WeakPolarHBondContact O-CB 3.33Å; S92-F96 PolarHBondContact O-N 3.37Å; S92-Y154 PolarHBondContact O-OH 2.64Å
93E98.9Very high98.6Very high48 Ų4850.2 Ų50.222%0.22425%0.252CS..Hα-helixtrans-63.5-45.1175.5-179.257.8-144.200111.6A89 W90 E91 F96 Q97 I269 Q270A89-E93 PolarHBondContact O-N 3.33Å; A89-E93 VanDerWaalsContact O-N 3.08Å; W90-E93 PolarHBondContact O-N 2.88Å; E91-E93 PolarHBondContact O-N 3.41Å; E93-F96 WeakPolarHBondContact O-CB 3.5Å; E93-F96 PolarHBondContact O-N 3.01Å; E93-Q97 WeakPolarHBondContact O-CG 3.16Å; E93-Q97 PolarHBondContact O-N 3.45Å; E93-Q97 PolarHBondContact OE1-NE2 3.08Å; E93-I269 HydrophobicContact CG-CB 4.1Å; E93-I269 HydrophobicContact CG-CG2 3.78Å; E93-I269 WeakPolarHBondContact OE1-CG2 3.47Å; E93-Q270 HydrophobicContact CB-CG 4.36Å; E93-Q270 HydrophobicContact CG-CG 4.16Å
94G98.9Very high98.6Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-63-46178.100000113W90 E91 F96 Q97 I98 P262W90-G94 PolarHBondContact O-N 3.01Å; E91-G94 PolarHBondContact O-N 3.39Å; G94-F96 VanDerWaalsContact C-N 3.3Å; G94-F96 PolarHBondContact O-N 3.36Å; G94-Q97 PolarHBondContact O-N 2.84Å; G94-I98 WeakPolarHBondContact O-CG1 3.44Å; G94-I98 PolarHBondContact O-N 3.21Å; G94-P262 WeakPolarHBondContact CA-O 3.32Å
95L98.9Very high98.8Very high10 Ų1041 Ų415%0.05221%0.208CC..Hα-helixtrans-63.9-36.2175.4-74.4175.1000111.8E91 I98 S99 L146 V149 Y154 P262E91-L95 HydrophobicContact CG-CD1 4.1Å; E91-L95 HydrophobicContact CG-CG 4.46Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 WeakPolarHBondContact O-CG 3.29Å; E91-L95 PolarHBondContact O-N 3.08Å; L95-I98 HydrophobicContact CD2-CD1 4.43Å; L95-I98 PolarHBondContact O-N 3.39Å; L95-S99 PolarHBondContact O-N 2.92Å; L95-L146 HydrophobicContact CD2-CD2 4.11Å; L95-V149 HydrophobicContact CD1-CG1 4.12Å; L95-V149 HydrophobicContact CD2-CG1 3.97Å; L95-Y154 HydrophobicContact CB-CE2 4.06Å; L95-P262 HydrophobicContact CD2-CB 4.18Å; L95-P262 HydrophobicContact CD2-CG 4.26Å; L95-P262 HydrophobicContact CG-CB 3.88Å; L95-P262 HydrophobicContact CG-CG 4.23Å
96F98.9Very high98.8Very high76 Ų7635.3 Ų35.333%0.33318%0.177SC..Hα-helixtrans-59.9-51172.2176.5-113.2000110.5S92 E93 G94 I98 S99 Q100 Y154S92-F96 VanDerWaalsContact O-CB 3.29Å; S92-F96 WeakPolarHBondContact O-CB 3.33Å; S92-F96 PolarHBondContact O-N 3.37Å; E93-F96 WeakPolarHBondContact O-CB 3.5Å; E93-F96 PolarHBondContact O-N 3.01Å; G94-F96 VanDerWaalsContact C-N 3.3Å; G94-F96 PolarHBondContact O-N 3.36Å; F96-I98 VanDerWaalsContact C-N 3.29Å; F96-I98 PolarHBondContact O-N 3.44Å; F96-S99 WeakPolarHBondContact O-CB 3.47Å; F96-S99 PolarHBondContact O-N 3.03Å; F96-S99 VanDerWaalsContact O-N 3.08Å; F96-S99 PolarHBondContact O-OG 3.1Å; F96-Q100 HydrophobicContact CD2-CG 4.25Å; F96-Q100 HydrophobicContact CE1-CG 4.24Å; F96-Q100 HydrophobicContact CE2-CG 3.85Å; F96-Q100 HydrophobicContact CZ-CG 3.84Å; F96-Q100 WeakPolarHBondContact O-CG 3.37Å; F96-Q100 PolarHBondContact O-N 3.33Å; F96-Q100 VanDerWaalsContact O-N 3.11Å; F96-Y154 HydrophobicContact CB-CE1 4.37Å; F96-Y154 WeakPolarHBondContact CB-OH 3.47Å; F96-Y154 HydrophobicContact CD2-CD1 4.37Å; F96-Y154 AromaticContact CD2-CE1 3.86Å; F96-Y154 HydrophobicContact CD2-CE1 3.86Å
97Q98.9Very high98.9Very high17 Ų1731.5 Ų31.58%0.07916%0.16CC..Hα-helixtrans-59.8-37.7177.7-64-57.8-39.300112.9E93 G94 Q100 K102 V103 I269E93-Q97 WeakPolarHBondContact O-CG 3.16Å; E93-Q97 PolarHBondContact O-N 3.45Å; E93-Q97 PolarHBondContact OE1-NE2 3.08Å; G94-Q97 PolarHBondContact O-N 2.84Å; Q97-Q100 PolarHBondContact O-N 3.45Å; Q97-K102 PolarHBondContact O-N 3.11Å; Q97-K102 VanDerWaalsContact O-N 3.1Å; Q97-K102 VanDerWaalsContact OE1-CD 3.27Å; Q97-V103 HydrophobicContact CB-CG2 3.75Å; Q97-I269 HydrophobicContact CG-CG1 4.39Å
98I98.9Very high98.9Very high1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-61-49.3173-70.6167.8000110.5G94 L95 F96 Q100 N101 V103 L146 A150 C158 I160 P262G94-I98 WeakPolarHBondContact O-CG1 3.44Å; G94-I98 PolarHBondContact O-N 3.21Å; L95-I98 HydrophobicContact CD2-CD1 4.43Å; L95-I98 PolarHBondContact O-N 3.39Å; F96-I98 VanDerWaalsContact C-N 3.29Å; F96-I98 PolarHBondContact O-N 3.44Å; I98-Q100 PolarHBondContact O-N 2.94Å; I98-Q100 VanDerWaalsContact O-N 3.15Å; I98-N101 PolarHBondContact O-N 2.88Å; I98-V103 HydrophobicContact CG1-CB 4Å; I98-V103 HydrophobicContact CG1-CG1 4.23Å; I98-V103 HydrophobicContact CG1-CG2 3.87Å; I98-L146 HydrophobicContact CD1-CB 4.38Å; I98-L146 HydrophobicContact CD1-CD1 4.21Å; I98-A150 HydrophobicContact CB-CB 4.38Å; I98-A150 HydrophobicContact CG2-CB 3.71Å; I98-C158 WeakPolarHBondContact O-CB 3.37Å; I98-I160 HydrophobicContact CD1-CD1 4.24Å; I98-I160 HydrophobicContact CG1-CD1 4.22Å; I98-I160 HydrophobicContact CG2-CD1 3.8Å; I98-I160 HydrophobicContact CG2-CG1 3.94Å; I98-P262 HydrophobicContact CD1-CB 4.46Å
99S98.9Very high98.8Very high1 Ų125.5 Ų25.51%0.00713%0.132CC..Hα-helixtrans-58.2-30.4179.879.10000112.8L95 F96 N101 N156L95-S99 PolarHBondContact O-N 2.92Å; F96-S99 WeakPolarHBondContact O-CB 3.47Å; F96-S99 PolarHBondContact O-N 3.03Å; F96-S99 VanDerWaalsContact O-N 3.08Å; F96-S99 PolarHBondContact O-OG 3.1Å; S99-N101 VanDerWaalsContact C-N 3.26Å; S99-N101 PolarHBondContact O-N 3.35Å; S99-N156 PolarHBondContact O-ND2 3.09Å
100Q98.9Very high98.5Very high85 Ų8523.8 Ų23.840%0.39712%0.119SC..THydrogen-bonded Turntrans-846.7-179.8-61.3-53.9-68.900113.6F96 Q97 I98 K102F96-Q100 HydrophobicContact CD2-CG 4.25Å; F96-Q100 HydrophobicContact CE1-CG 4.24Å; F96-Q100 HydrophobicContact CE2-CG 3.85Å; F96-Q100 HydrophobicContact CZ-CG 3.84Å; F96-Q100 WeakPolarHBondContact O-CG 3.37Å; F96-Q100 PolarHBondContact O-N 3.33Å; F96-Q100 VanDerWaalsContact O-N 3.11Å; Q97-Q100 PolarHBondContact O-N 3.45Å; I98-Q100 PolarHBondContact O-N 2.94Å; I98-Q100 VanDerWaalsContact O-N 3.15Å; Q100-K102 HydrophobicContact CB-CD 4.04Å; Q100-K102 HydrophobicContact CB-CG 4.01Å; Q100-K102 PolarHBondContact O-N 2.93Å
101N98.9Very high97.6Very high61 Ų6125.4 Ų25.433%0.32614%0.137SC..THydrogen-bonded Turntrans56.933.2-174.1-56-46.2000113.1I98 S99 C158 I159 I244I98-N101 PolarHBondContact O-N 2.88Å; S99-N101 VanDerWaalsContact C-N 3.26Å; S99-N101 PolarHBondContact O-N 3.35Å; N101-C158 WeakPolarHBondContact OD1-CA 3.43Å; N101-C158 WeakPolarHBondContact OD1-CB 3.4Å; N101-I159 PolarHBondContact OD1-N 3.14Å; N101-I244 WeakPolarHBondContact O-CD1 3.48Å
102K98.9Very high96.7Very high85 Ų8526.2 Ų26.237%0.3714%0.141SC..  trans-101.52.3-177.5-70.3-177.8175.4-178.70114Q97 Q100 W245 S246Q97-K102 PolarHBondContact O-N 3.11Å; Q97-K102 VanDerWaalsContact O-N 3.1Å; Q97-K102 VanDerWaalsContact OE1-CD 3.27Å; Q100-K102 HydrophobicContact CB-CD 4.04Å; Q100-K102 HydrophobicContact CB-CG 4.01Å; Q100-K102 PolarHBondContact O-N 2.93Å; K102-W245 HydrophobicContact CB-CB 4.24Å; K102-W245 PolarHBondContact O-N 3.45Å; K102-S246 PolarHBondContact O-N 2.98Å
103V98.9Very high95.7Very high1 Ų124.1 Ų24.11%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-117.3131.7-176.3177.10000109.7Q97 I98 P161 S246 A260 I265Q97-V103 HydrophobicContact CB-CG2 3.75Å; I98-V103 HydrophobicContact CG1-CB 4Å; I98-V103 HydrophobicContact CG1-CG1 4.23Å; I98-V103 HydrophobicContact CG1-CG2 3.87Å; V103-P161 WeakPolarHBondContact O-CD 3.4Å; V103-S246 WeakPolarHBondContact CA-O 3.12Å; V103-A260 HydrophobicContact CG1-CB 4.4Å; V103-I265 HydrophobicContact CG1-CD1 3.65Å; V103-I265 HydrophobicContact CG2-CD1 4.4Å; V103-I265 HydrophobicContact CG2-CG2 4.32Å
104A99Very high94.9Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-126.3163.2164.700000110.8P161 Y163 I244 S246 I247 H248A104-P161 WeakPolarHBondContact CA-O 3.36Å; A104-P161 HydrophobicContact CB-CB 4.03Å; A104-P161 HydrophobicContact CB-CG 4.23Å; A104-P161 WeakPolarHBondContact CB-O 3.46Å; A104-Y163 HydrophobicContact CB-CD2 4.05Å; A104-Y163 HydrophobicContact CB-CE2 3.65Å; A104-I244 HydrophobicContact CB-CD1 4.17Å; A104-I244 HydrophobicContact CB-CG1 4.2Å; A104-I244 HydrophobicContact CB-CG2 3.81Å; A104-S246 PolarHBondContact N-O 2.82Å; A104-I247 HydrophobicContact CB-CD1 3.8Å; A104-I247 WeakPolarHBondContact O-CA 3.35Å; A104-H248 PolarHBondContact O-N 2.85Å
105V98.9Very high94.2Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-117.8143.4174.3-63.90000110.4I143 I160 P161 W162 Y163 H248 Y250 V259 A260V105-I143 HydrophobicContact CG2-CD1 3.84Å; V105-I143 HydrophobicContact CG2-CG1 4.39Å; V105-I160 HydrophobicContact CG1-CG2 4.01Å; V105-I160 HydrophobicContact CG2-CG2 4.18Å; V105-P161 PolarHBondContact N-O 2.91Å; V105-W162 HydrophobicContact CG2-CB 4.11Å; V105-W162 HydrophobicContact CG2-CG 3.91Å; V105-Y163 PolarHBondContact O-N 3.34Å; V105-H248 WeakPolarHBondContact CA-O 3.41Å; V105-H248 HydrophobicContact CG1-CB 4.18Å; V105-Y250 HydrophobicContact CB-CE1 4.12Å; V105-V259 HydrophobicContact CB-CG1 4.25Å; V105-V259 HydrophobicContact CG1-CG1 3.84Å; V105-V259 HydrophobicContact CG2-CG1 4.15Å; V105-A260 HydrophobicContact CG1-CB 3.58Å
106L98.9Very high93.7Very high0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-124.7114.8178.2-169.2152.2000110L108 Y163 F194 L226 L230 M239 I247 H248 V249 Y250L106-L108 HydrophobicContact CD2-CD2 3.77Å; L106-Y163 CarbonylContact C-O 3.45Å; L106-Y163 WeakPolarHBondContact CA-O 3.13Å; L106-F194 HydrophobicContact CD1-CE1 4.35Å; L106-F194 HydrophobicContact CD1-CZ 4.02Å; L106-F194 HydrophobicContact CD2-CZ 4.38Å; L106-F194 HydrophobicContact CG-CE1 4.38Å; L106-F194 HydrophobicContact CG-CZ 4.29Å; L106-L226 HydrophobicContact CD1-CD1 3.82Å; L106-L226 HydrophobicContact CD2-CD1 3.66Å; L106-L226 HydrophobicContact CD2-CD2 4.15Å; L106-L226 HydrophobicContact CG-CD1 4.38Å; L106-L230 HydrophobicContact CD1-CD2 3.98Å; L106-M239 HydrophobicContact CD1-CE 3.99Å; L106-I247 HydrophobicContact CB-CG2 3.81Å; L106-H248 PolarHBondContact N-O 2.95Å; L106-V249 HydrophobicContact CB-CG2 4.16Å; L106-V249 HydrophobicContact CD2-CG1 4.08Å; L106-V249 HydrophobicContact CD2-CG2 4.5Å; L106-V249 CarbonylContact O-C 3.6Å; L106-V249 VanDerWaalsContact O-CA 3.3Å; L106-V249 WeakPolarHBondContact O-CA 3.3Å; L106-Y250 PolarHBondContact O-N 2.9Å
107L98.9Very high93.2Very high0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-95.4125.5-177.6174.857.9000111.6A109 F136 W162 Y163 I164 M165 Y250 V252L107-A109 HydrophobicContact CD2-CB 4.16Å; L107-A109 HydrophobicContact CG-CB 4Å; L107-A109 PolarHBondContact O-N 3.1Å; L107-F136 HydrophobicContact CD2-CD1 4.05Å; L107-F136 HydrophobicContact CD2-CE1 3.65Å; L107-W162 HydrophobicContact CD2-CZ2 3.78Å; L107-Y163 PolarHBondContact N-O 2.87Å; L107-I164 HydrophobicContact CB-CG1 4.36Å; L107-I164 HydrophobicContact CD2-CG1 4.4Å; L107-I164 HydrophobicContact CD2-CG2 4.25Å; L107-M165 WeakPolarHBondContact O-CB 3.45Å; L107-M165 PolarHBondContact O-N 3.17Å; L107-Y250 HydrophobicContact CB-CE1 4.04Å; L107-Y250 HydrophobicContact CD1-CD2 3.91Å; L107-Y250 HydrophobicContact CD1-CE1 4.27Å; L107-Y250 HydrophobicContact CD1-CE2 3.39Å; L107-Y250 HydrophobicContact CG-CE2 4.44Å; L107-V252 VanDerWaalsContact CD1-CA 3.46Å; L107-V252 HydrophobicContact CD1-CB 3.58Å; L107-V252 HydrophobicContact CD1-CG2 4.06Å; L107-V252 HydrophobicContact CD2-CG2 4.17Å; L107-V252 HydrophobicContact CG-CB 4.35Å
108L98.7Very high92.9Very high11 Ų1133 Ų336%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-85.892.6171.4-53173.7000109.7L106 M165 N223 L226 V249 Y250 V252 V382L106-L108 HydrophobicContact CD2-CD2 3.77Å; L108-M165 HydrophobicContact CD2-CE 3.56Å; L108-M165 HydrophobicContact CD2-SD 4.38Å; L108-N223 HydrophobicContact CD1-CB 4.22Å; L108-L226 HydrophobicContact CD2-CD2 4.28Å; L108-V249 HydrophobicContact CD1-CG1 3.89Å; L108-V249 HydrophobicContact CD2-CG1 4.08Å; L108-V249 HydrophobicContact CG-CG1 3.93Å; L108-Y250 PolarHBondContact N-O 2.79Å; L108-V252 PolarHBondContact O-N 2.93Å; L108-V382 HydrophobicContact CD1-CG1 4.23Å; L108-V382 HydrophobicContact CD1-CG2 4.39Å
109A97.6Very high92.5Very high3 Ų336.9 Ų36.93%0.02522%0.222CC..  trans-118.627.8-177.400000113.5L107 G111 F136 I164 M165 T170 V252L107-A109 HydrophobicContact CD2-CB 4.16Å; L107-A109 HydrophobicContact CG-CB 4Å; L107-A109 PolarHBondContact O-N 3.1Å; A109-G111 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 2.84Å; A109-F136 HydrophobicContact CB-CE1 4.42Å; A109-F136 HydrophobicContact CB-CZ 4.44Å; A109-I164 HydrophobicContact CB-CG2 4.09Å; A109-M165 CarbonylContact C-O 3.58Å; A109-M165 VanDerWaalsContact CA-O 3.23Å; A109-M165 WeakPolarHBondContact CA-O 3.2Å; A109-M165 WeakPolarHBondContact CB-O 3.4Å; A109-M165 PolarHBondContact N-O 2.95Å; A109-T170 PolarHBondContact O-OG1 2.84Å; A109-V252 HydrophobicContact CB-CB 4.37Å; A109-V252 HydrophobicContact CB-CG2 4.44Å
110G91.2Very high92.2Very high7 Ų741.2 Ų41.27%0.07224%0.239CC..  trans-68.9-27.7177.800000115.4M165 S167G110-M165 PolarHBondContact N-O 3.27Å; G110-S167 WeakPolarHBondContact O-CB 3.47Å; G110-S167 PolarHBondContact O-OG 3Å
111G81.4Confident92.1Very high41 Ų4137.3 Ų37.342%0.42322%0.221SC..  trans-76.3134.8-173.700000113.5A109A109-G111 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 2.84Å
112Q79.3Confident91.9Very high59 Ų5935.7 Ų35.728%0.27621%0.211SC..BIsolated β-bridgetrans-80.3153172.1-158.4176.9-12.700111.3T114 A119Q112-T114 HydrophobicContact CB-CG2 4.18Å; Q112-T114 HydrophobicContact CG-CG2 3.85Å; Q112-T114 PolarHBondContact O-N 2.9Å; Q112-T114 VanDerWaalsContact O-N 3.16Å; Q112-A119 PolarHBondContact NE2-O 2.99Å
113G78.1Confident91.9Very high0 Ų031.7 Ų31.70%019%0.194CC..SBendtrans-76.615.417900000115.6R115 L116 G117 V118 Y120G113-R115 VanDerWaalsContact C-N 3.32Å; G113-R115 PolarHBondContact O-N 2.94Å; G113-L116 WeakPolarHBondContact O-CA 3.3Å; G113-L116 VanDerWaalsContact O-CB 3.3Å; G113-L116 WeakPolarHBondContact O-CB 2.99Å; G113-L116 PolarHBondContact O-N 3.23Å; G113-G117 PolarHBondContact O-N 3.38Å; G113-V118 CarbonylContact C-O 3.59Å; G113-V118 VanDerWaalsContact C-O 3.3Å; G113-V118 WeakPolarHBondContact O-CG2 3.29Å; G113-V118 PolarHBondContact O-N 3.43Å; G113-Y120 PolarHBondContact N-O 2.75Å; G113-Y120 VanDerWaalsContact N-O 3.16Å
114T81.4Confident91.9Very high91 Ų9132.8 Ų32.856%0.55820%0.199SC*.G310 helixtrans-60.1-36-169.352.70000113.9Q112 L116 G117 V118Q112-T114 HydrophobicContact CB-CG2 4.18Å; Q112-T114 HydrophobicContact CG-CG2 3.85Å; Q112-T114 PolarHBondContact O-N 2.9Å; Q112-T114 VanDerWaalsContact O-N 3.16Å; T114-L116 PolarHBondContact O-N 3.15Å; T114-G117 PolarHBondContact O-N 2.47Å; T114-V118 PolarHBondContact N-O 3.41Å
115R84.9Confident91.8Very high140 Ų14034.3 Ų34.353%0.52821%0.205SC..G310 helixtrans-65.1-23.2174.2-174.7171177.7171.60.2112.9G113 G117 K407 N408 Q412G113-R115 VanDerWaalsContact C-N 3.32Å; G113-R115 PolarHBondContact O-N 2.94Å; R115-G117 VanDerWaalsContact C-N 3.28Å; R115-K407 VanDerWaalsContact CD-O 3.23Å; R115-K407 WeakPolarHBondContact CD-O 3.48Å; R115-K407 WeakPolarHBondContact CG-O 3.38Å; R115-K407 PolarHBondContact NE-O 3.4Å; R115-N408 PolarHBondContact NE-OD1 3.06Å; R115-N408 PolarHBondContact NH2-OD1 2.83Å; R115-Q412 PolarHBondContact O-NE2 2.94Å
116L88.3Confident91.8Very high8 Ų837.1 Ų37.14%0.04222%0.22CC..G310 helixtrans-85.5-1.7174.5-51.3175.3000112.1G113 T114 V118 K122 Y125 L406 N408G113-L116 WeakPolarHBondContact O-CA 3.3Å; G113-L116 VanDerWaalsContact O-CB 3.3Å; G113-L116 WeakPolarHBondContact O-CB 2.99Å; G113-L116 PolarHBondContact O-N 3.23Å; T114-L116 PolarHBondContact O-N 3.15Å; L116-V118 HydrophobicContact CB-CG2 4.35Å; L116-K122 HydrophobicContact CD1-CD 4.35Å; L116-K122 HydrophobicContact CD1-CG 4.06Å; L116-Y125 HydrophobicContact CB-CD2 4.28Å; L116-Y125 HydrophobicContact CB-CE2 3.63Å; L116-Y125 HydrophobicContact CD1-CD2 3.53Å; L116-Y125 HydrophobicContact CD1-CE2 3.67Å; L116-Y125 HydrophobicContact CD1-CG 4.23Å; L116-Y125 HydrophobicContact CG-CE2 4.25Å; L116-L406 HydrophobicContact CD1-CD1 4.36Å; L116-L406 HydrophobicContact CD1-CD2 3.78Å; L116-L406 HydrophobicContact CD1-CG 3.81Å; L116-L406 HydrophobicContact CD2-CD1 3.93Å; L116-L406 HydrophobicContact CD2-CG 4.05Å; L116-N408 VanDerWaalsContact CD2-C 3.41Å; L116-N408 VanDerWaalsContact CD2-O 3.31Å; L116-N408 WeakPolarHBondContact CD2-O 3.29Å
117G88.6Confident91.7Very high70 Ų7037.3 Ų37.372%0.72222%0.222SC*.THydrogen-bonded Turntrans82.315.6-178.700000114.5G113 T114 R115G113-G117 PolarHBondContact O-N 3.38Å; T114-G117 PolarHBondContact O-N 2.47Å; R115-G117 VanDerWaalsContact C-N 3.28Å
118V91.4Very high91.7Very high28 Ų2839.3 Ų39.317%0.1724%0.242CC..  trans-119.3150.7-178.6-57.60000111.9G113 T114 L116 Y120 Y125G113-V118 CarbonylContact C-O 3.59Å; G113-V118 VanDerWaalsContact C-O 3.3Å; G113-V118 WeakPolarHBondContact O-CG2 3.29Å; G113-V118 PolarHBondContact O-N 3.43Å; T114-V118 PolarHBondContact N-O 3.41Å; L116-V118 HydrophobicContact CB-CG2 4.35Å; V118-Y120 HydrophobicContact CB-CD1 4.07Å; V118-Y120 HydrophobicContact CB-CD2 4.38Å; V118-Y120 HydrophobicContact CB-CE1 3.7Å; V118-Y120 HydrophobicContact CB-CE2 4.04Å; V118-Y120 HydrophobicContact CB-CG 4.41Å; V118-Y120 HydrophobicContact CG1-CE1 3.95Å; V118-Y120 HydrophobicContact CG1-CE2 4.4Å; V118-Y120 HydrophobicContact CG2-CD1 4.49Å; V118-Y120 HydrophobicContact CG2-CD2 3.93Å; V118-Y120 HydrophobicContact CG2-CE1 4.25Å; V118-Y120 HydrophobicContact CG2-CE2 3.65Å; V118-Y120 HydrophobicContact CG2-CG 4.35Å; V118-Y125 HydrophobicContact CG1-CD2 4.5Å; V118-Y125 HydrophobicContact CG1-CE2 3.86Å; V118-Y125 HydrophobicContact CG2-CD2 3.96Å; V118-Y125 HydrophobicContact CG2-CE2 3.96Å
119A90.9Very high91.7Very high83 Ų8339 Ų3969%0.68624%0.241SC*.SBendtrans-83.6-22-178.700000113.5Q112Q112-A119 PolarHBondContact NE2-O 2.99Å
120Y93.8Very high91.7Very high92 Ų9240.4 Ų40.436%0.36125%0.249SC..SBendtrans-86.6163.9-175.853.9-104.4000113.2G113 V118 M124 Y125G113-Y120 PolarHBondContact N-O 2.75Å; G113-Y120 VanDerWaalsContact N-O 3.16Å; V118-Y120 HydrophobicContact CB-CD1 4.07Å; V118-Y120 HydrophobicContact CB-CD2 4.38Å; V118-Y120 HydrophobicContact CB-CE1 3.7Å; V118-Y120 HydrophobicContact CB-CE2 4.04Å; V118-Y120 HydrophobicContact CB-CG 4.41Å; V118-Y120 HydrophobicContact CG1-CE1 3.95Å; V118-Y120 HydrophobicContact CG1-CE2 4.4Å; V118-Y120 HydrophobicContact CG2-CD1 4.49Å; V118-Y120 HydrophobicContact CG2-CD2 3.93Å; V118-Y120 HydrophobicContact CG2-CE1 4.25Å; V118-Y120 HydrophobicContact CG2-CE2 3.65Å; V118-Y120 HydrophobicContact CG2-CG 4.35Å; Y120-M124 HydrophobicContact CD2-CB 3.86Å; Y120-M124 HydrophobicContact CE2-CB 4.32Å; Y120-Y125 AromaticContact CE2-CD2 3.99Å; Y120-Y125 HydrophobicContact CE2-CD2 3.99Å
121P95.4Very high92Very high3 Ų341.9 Ų41.92%0.01926%0.259CS..BIsolated β-bridgetrans-62.4144.6176.5-22.533.5000113.1G123 M124 T170 S173P121-G123 PolarHBondContact O-N 3.23Å; P121-G123 VanDerWaalsContact O-N 3.07Å; P121-M124 HydrophobicContact CB-CE 4.33Å; P121-M124 HydrophobicContact CG-CE 3.72Å; P121-M124 PolarHBondContact O-N 3.01Å; P121-T170 HydrophobicContact CB-CG2 3.98Å; P121-T170 HydrophobicContact CG-CG2 3.8Å; P121-S173 VanDerWaalsContact CD-OG 3.3Å; P121-S173 WeakPolarHBondContact CD-OG 3.48Å; P121-S173 WeakPolarHBondContact CG-OG 3.23Å
122K96.1Very high92.8Very high27 Ų2743.7 Ų43.712%0.11726%0.264CS..G310 helixtrans-54.2-33.1-176.9-73.7-165.9-176.7-171.30114.6L116 M124 Y125 V252 D253 L406L116-K122 HydrophobicContact CD1-CD 4.35Å; L116-K122 HydrophobicContact CD1-CG 4.06Å; K122-M124 PolarHBondContact O-N 2.88Å; K122-M124 VanDerWaalsContact O-N 3.16Å; K122-Y125 WeakPolarHBondContact O-CB 3.45Å; K122-Y125 PolarHBondContact O-N 3.03Å; K122-V252 HydrophobicContact CB-CG1 4.15Å; K122-D253 HydrophobicContact CD-CB 3.93Å; K122-D253 IonicContact NZ-OD2 2.71Å; K122-D253 PolarHBondContact NZ-OD2 3.31Å; K122-L406 PolarHBondContact NZ-O 3.48Å
123G98Very high93.7Very high1 Ų141.9 Ų41.91%0.0126%0.255CS..G310 helixtrans-62.8-21.4-179.500000114P121 Y125 L135 F136P121-G123 PolarHBondContact O-N 3.23Å; P121-G123 VanDerWaalsContact O-N 3.07Å; G123-Y125 VanDerWaalsContact C-N 3.28Å; G123-L135 PolarHBondContact O-N 2.8Å; G123-F136 VanDerWaalsContact C-CE2 3.46Å; G123-F136 VanDerWaalsContact CA-CE2 3.45Å; G123-F136 WeakPolarHBondContact O-CD2 3.43Å; G123-F136 WeakPolarHBondContact O-CG 3.43Å; G123-F136 PolarHBondContact O-N 3Å
124M98.3Very high94.7Very high24 Ų2442.6 Ų42.612%0.11826%0.259CS..G310 helixtrans-85.4-0.4175.8-53.8-179.6-164.800113.2Y120 P121 K122 D126 T134 F136 S173 F177Y120-M124 HydrophobicContact CD2-CB 3.86Å; Y120-M124 HydrophobicContact CE2-CB 4.32Å; P121-M124 HydrophobicContact CB-CE 4.33Å; P121-M124 HydrophobicContact CG-CE 3.72Å; P121-M124 PolarHBondContact O-N 3.01Å; K122-M124 PolarHBondContact O-N 2.88Å; K122-M124 VanDerWaalsContact O-N 3.16Å; M124-D126 PolarHBondContact O-N 3.06Å; M124-T134 VanDerWaalsContact O-CG2 3.26Å; M124-T134 WeakPolarHBondContact O-CG2 3.26Å; M124-F136 HydrophobicContact CG-CD2 4.06Å; M124-F136 HydrophobicContact CG-CE2 3.92Å; M124-S173 WeakPolarHBondContact CE-O 3.48Å; M124-F177 HydrophobicContact CB-CE1 4.44Å; M124-F177 HydrophobicContact CB-CE2 4.3Å; M124-F177 HydrophobicContact CB-CZ 4.28Å; M124-F177 HydrophobicContact CE-CB 3.62Å; M124-F177 HydrophobicContact CE-CG 4.08Å; M124-F177 HydrophobicContact CG-CB 4.39Å; M124-F177 HydrophobicContact CG-CD1 3.87Å; M124-F177 HydrophobicContact CG-CD2 4Å; M124-F177 HydrophobicContact CG-CE1 4.07Å; M124-F177 HydrophobicContact CG-CE2 4.22Å; M124-F177 HydrophobicContact CG-CG 3.83Å; M124-F177 HydrophobicContact CG-CZ 4.28Å; M124-F177 HydrophobicContact SD-CB 4.01Å; M124-F177 HydrophobicContact SD-CD2 3.88Å; M124-F177 HydrophobicContact SD-CG 3.91Å
125Y98.3Very high95.5Very high32 Ų3238.4 Ų38.413%0.12523%0.234CC..  trans-70.5128-176.8-152.1-76.5000110.2L116 V118 Y120 K122 G123 V127 T134 L135 L406 P418L116-Y125 HydrophobicContact CB-CD2 4.28Å; L116-Y125 HydrophobicContact CB-CE2 3.63Å; L116-Y125 HydrophobicContact CD1-CD2 3.53Å; L116-Y125 HydrophobicContact CD1-CE2 3.67Å; L116-Y125 HydrophobicContact CD1-CG 4.23Å; L116-Y125 HydrophobicContact CG-CE2 4.25Å; V118-Y125 HydrophobicContact CG1-CD2 4.5Å; V118-Y125 HydrophobicContact CG1-CE2 3.86Å; V118-Y125 HydrophobicContact CG2-CD2 3.96Å; V118-Y125 HydrophobicContact CG2-CE2 3.96Å; Y120-Y125 AromaticContact CE2-CD2 3.99Å; Y120-Y125 HydrophobicContact CE2-CD2 3.99Å; K122-Y125 WeakPolarHBondContact O-CB 3.45Å; K122-Y125 PolarHBondContact O-N 3.03Å; G123-Y125 VanDerWaalsContact C-N 3.28Å; Y125-V127 HydrophobicContact CD1-CG1 4.04Å; Y125-T134 WeakPolarHBondContact O-CA 3.47Å; Y125-L135 PolarHBondContact O-N 3.27Å; Y125-L406 HydrophobicContact CD1-CD2 3.83Å; Y125-L406 HydrophobicContact CD2-CD2 4.45Å; Y125-L406 HydrophobicContact CE1-CD2 4.44Å; Y125-L406 HydrophobicContact CG-CD2 3.85Å; Y125-P418 HydrophobicContact CE1-CB 4.11Å; Y125-P418 HydrophobicContact CE1-CG 3.62Å
126D98.2Very high96.2Very high59 Ų5931.7 Ų31.732%0.31621%0.208SC..BIsolated β-bridgetrans-94.1119.1165.5173.710.4000108.1M124 G128 C132M124-D126 PolarHBondContact O-N 3.06Å; D126-G128 VanDerWaalsContact C-N 3.27Å; D126-G128 PolarHBondContact OD1-N 2.95Å; D126-C132 WeakPolarHBondContact OD2-CB 3.31Å
127V97.9Very high96.7Very high5 Ų533.6 Ų33.63%0.0322%0.217CC..  trans-85.8-0.1-177.7-61.80000113.2Y125 L129 I255 L406 P418 A421 R422Y125-V127 HydrophobicContact CD1-CG1 4.04Å; V127-L129 HydrophobicContact CG2-CD1 4.41Å; V127-L129 HydrophobicContact CG2-CD2 4.44Å; V127-L129 HydrophobicContact CG2-CG 3.86Å; V127-I255 HydrophobicContact CG2-CD1 3.57Å; V127-L406 HydrophobicContact CG1-CD2 4.01Å; V127-P418 HydrophobicContact CB-CB 4.3Å; V127-P418 HydrophobicContact CG1-CB 4.49Å; V127-A421 HydrophobicContact CG1-CB 4.2Å; V127-R422 HydrophobicContact CB-CB 4.44Å; V127-R422 HydrophobicContact CG2-CB 3.91Å; V127-R422 WeakPolarHBondContact O-CD 3.33Å; V127-R422 PolarHBondContact O-NH1 3.13Å
128G97.9Very high97.2Very high42 Ų4230.6 Ų30.643%0.43318%0.184SC..  trans85.343.4-176.100000112.7D126 R422D126-G128 VanDerWaalsContact C-N 3.27Å; D126-G128 PolarHBondContact OD1-N 2.95Å; G128-R422 VanDerWaalsContact O-CD 3.32Å; G128-R422 WeakPolarHBondContact O-CD 3.24Å
129L98.2Very high97.6Very high4 Ų429.4 Ų29.42%0.02118%0.177CC..  trans-73.9155.6168.1-70.8174.9000110.5V127 S131 C132 I138 I255 R422 L425 M426V127-L129 HydrophobicContact CG2-CD1 4.41Å; V127-L129 HydrophobicContact CG2-CD2 4.44Å; V127-L129 HydrophobicContact CG2-CG 3.86Å; L129-S131 PolarHBondContact O-N 3Å; L129-S131 VanDerWaalsContact O-N 3.15Å; L129-C132 PolarHBondContact O-N 2.95Å; L129-I138 HydrophobicContact CD1-CD1 3.63Å; L129-I255 HydrophobicContact CD1-CD1 4.22Å; L129-R422 HydrophobicContact CD2-CB 3.92Å; L129-L425 HydrophobicContact CD1-CD2 3.55Å; L129-L425 HydrophobicContact CD2-CB 4.44Å; L129-L425 HydrophobicContact CD2-CD2 3.81Å; L129-L425 HydrophobicContact CG-CD2 4.34Å; L129-M426 HydrophobicContact CD2-CG 4.21Å
130P97.8Very high98Very high32 Ų3225.4 Ų25.421%0.20814%0.144CC..THydrogen-bonded Turntrans-50.3-35.3173.3-28.935.1000114.6M426 E482 I508 L517P130-M426 HydrophobicContact CG-SD 4.12Å; P130-E482 VanDerWaalsContact CD-OE2 3.24Å; P130-E482 WeakPolarHBondContact CD-OE2 3.43Å; P130-E482 HydrophobicContact CG-CB 4.27Å; P130-I508 HydrophobicContact CB-CD1 3.53Å; P130-I508 HydrophobicContact CB-CG1 3.79Å; P130-L517 HydrophobicContact CB-CD1 4.22Å
131S97.9Very high98.2Very high38 Ų3821.4 Ų21.427%0.26613%0.129SC..THydrogen-bonded Turntrans-80.5-11.8176.771.10000115.2L129 K133 E482L129-S131 PolarHBondContact O-N 3Å; L129-S131 VanDerWaalsContact O-N 3.15Å; S131-K133 PolarHBondContact O-N 2.78Å; S131-K133 VanDerWaalsContact O-N 3.12Å; S131-K133 WeakPolarHBondContact OG-CB 3.2Å; S131-K133 WeakPolarHBondContact OG-CG 3.42Å; S131-K133 PolarHBondContact OG-N 2.81Å; S131-E482 WeakPolarHBondContact CB-OE1 3.33Å; S131-E482 VanDerWaalsContact CB-OE2 3.27Å; S131-E482 WeakPolarHBondContact CB-OE2 3.32Å; S131-E482 PolarHBondContact N-OE2 3.06Å; S131-E482 PolarHBondContact OG-OE1 3.41Å; S131-E482 PolarHBondContact OG-OE2 3.32Å; S131-E482 VanDerWaalsContact OG-OE2 3.12Å
132C98.3Very high98.4Very high79 Ų7921.9 Ų21.953%0.53413%0.13SC..  trans54.120.6-168.8-54.20000114.5D126 L129D126-C132 WeakPolarHBondContact OD2-CB 3.31Å; L129-C132 PolarHBondContact O-N 2.95Å
133K98.8Very high98.5Very high21 Ų2120.6 Ų20.69%0.09112%0.124CC..  trans-65.7136.1178.8-72.9176.6-178.3-1760111S131 Q137 I138 E141 S484S131-K133 PolarHBondContact O-N 2.78Å; S131-K133 VanDerWaalsContact O-N 3.12Å; S131-K133 WeakPolarHBondContact OG-CB 3.2Å; S131-K133 WeakPolarHBondContact OG-CG 3.42Å; S131-K133 PolarHBondContact OG-N 2.81Å; K133-Q137 HydrophobicContact CB-CB 4.44Å; K133-Q137 HydrophobicContact CB-CG 4.43Å; K133-Q137 HydrophobicContact CD-CG 4.3Å; K133-Q137 HydrophobicContact CG-CG 4.18Å; K133-I138 HydrophobicContact CB-CD1 4.48Å; K133-I138 HydrophobicContact CB-CG1 4Å; K133-E141 VanDerWaalsContact CE-OE1 3.22Å; K133-E141 WeakPolarHBondContact CE-OE1 3.45Å; K133-E141 IonicContact NZ-OE1 2.81Å; K133-E141 PolarHBondContact NZ-OE1 2.92Å; K133-E141 IonicContact NZ-OE2 3.6Å; K133-E141 PolarHBondContact NZ-OE2 3.03Å; K133-S484 PolarHBondContact NZ-OG 3.26Å
134T98.8Very high98.5Very high15 Ų1521.8 Ų21.89%0.09213%0.131CC..BIsolated β-bridgetrans-76.4162.9173.465.20000112M124 Y125 F136 Q137 I138 F177M124-T134 VanDerWaalsContact O-CG2 3.26Å; M124-T134 WeakPolarHBondContact O-CG2 3.26Å; Y125-T134 WeakPolarHBondContact O-CA 3.47Å; T134-F136 VanDerWaalsContact C-N 3.27Å; T134-F136 PolarHBondContact O-N 3.18Å; T134-Q137 PolarHBondContact O-N 3.2Å; T134-Q137 PolarHBondContact OG1-N 2.93Å; T134-I138 WeakPolarHBondContact O-CG1 3.45Å; T134-I138 PolarHBondContact O-N 3.11Å; T134-F177 HydrophobicContact CG2-CZ 3.8Å
135L98.8Very high98.6Very high3 Ų322 Ų222%0.01613%0.131CC..Hα-helixtrans-55.5-40.8175.1-60.1-178.3000112.6G123 Y125 Q137 I138 Q139 I255 L406G123-L135 PolarHBondContact O-N 2.8Å; Y125-L135 PolarHBondContact O-N 3.27Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; L135-Q137 PolarHBondContact O-N 3.09Å; L135-I138 PolarHBondContact O-N 2.73Å; L135-Q139 WeakPolarHBondContact O-CB 3.16Å; L135-Q139 WeakPolarHBondContact O-CG 3.39Å; L135-Q139 PolarHBondContact O-N 3.11Å; L135-Q139 VanDerWaalsContact O-N 3.07Å; L135-I255 HydrophobicContact CD2-CB 4.08Å; L135-I255 HydrophobicContact CD2-CD1 4.42Å; L135-I255 HydrophobicContact CD2-CG1 3.98Å; L135-L406 HydrophobicContact CD1-CD2 4.14Å
136F98.9Very high98.6Very high0 Ų020.7 Ų20.70%013%0.126CC..Hα-helixtrans-60.9-42.1175.9-77.6-46.3000112.3L107 A109 G123 M124 T134 Q139 A140 W162 T174 F177 F178 F184 V252L107-F136 HydrophobicContact CD2-CD1 4.05Å; L107-F136 HydrophobicContact CD2-CE1 3.65Å; A109-F136 HydrophobicContact CB-CE1 4.42Å; A109-F136 HydrophobicContact CB-CZ 4.44Å; G123-F136 VanDerWaalsContact C-CE2 3.46Å; G123-F136 VanDerWaalsContact CA-CE2 3.45Å; G123-F136 WeakPolarHBondContact O-CD2 3.43Å; G123-F136 WeakPolarHBondContact O-CG 3.43Å; G123-F136 PolarHBondContact O-N 3Å; M124-F136 HydrophobicContact CG-CD2 4.06Å; M124-F136 HydrophobicContact CG-CE2 3.92Å; T134-F136 VanDerWaalsContact C-N 3.27Å; T134-F136 PolarHBondContact O-N 3.18Å; F136-Q139 PolarHBondContact O-N 3.15Å; F136-A140 WeakPolarHBondContact O-CB 3.47Å; F136-A140 PolarHBondContact O-N 3.1Å; F136-W162 HydrophobicContact CD1-CH2 4.44Å; F136-T174 HydrophobicContact CE2-CG2 4.21Å; F136-T174 HydrophobicContact CZ-CG2 3.93Å; F136-F177 HydrophobicContact CB-CE1 4.38Å; F136-F177 AromaticContact CD2-CD1 3.96Å; F136-F177 HydrophobicContact CD2-CD1 3.96Å; F136-F177 HydrophobicContact CD2-CE1 4.03Å; F136-F178 HydrophobicContact CB-CE2 4.14Å; F136-F178 HydrophobicContact CB-CZ 4.16Å; F136-F178 AromaticContact CD1-CE2 3.72Å; F136-F178 HydrophobicContact CD1-CE2 3.72Å; F136-F178 AromaticContact CD1-CZ 3.78Å; F136-F178 HydrophobicContact CD1-CZ 3.78Å; F136-F178 AromaticContact CD2-CE2 3.77Å; F136-F178 HydrophobicContact CD2-CE2 3.77Å; F136-F178 AromaticContact CE1-CE2 3.95Å; F136-F178 HydrophobicContact CE1-CE2 3.95Å; F136-F178 HydrophobicContact CE1-CZ 4.25Å; F136-F178 HydrophobicContact CE2-CE2 4.01Å; F136-F178 AromaticContact CG-CE2 3.63Å; F136-F178 HydrophobicContact CG-CE2 3.63Å; F136-F178 AromaticContact CG-CZ 3.94Å; F136-F178 HydrophobicContact CG-CZ 3.94Å; F136-F178 HydrophobicContact CZ-CE2 4.1Å; F136-F184 HydrophobicContact CB-CE2 4.16Å; F136-F184 HydrophobicContact CB-CZ 4.34Å; F136-V252 HydrophobicContact CE1-CG2 4.1Å
137Q98.9Very high98.6Very high48 Ų4818.9 Ų18.922%0.22412%0.116CC..Hα-helixtrans-67.5-44.8-179.7-177.9170.3-6.700111.7K133 T134 L135 Q139 A140 E141 F184K133-Q137 HydrophobicContact CB-CB 4.44Å; K133-Q137 HydrophobicContact CB-CG 4.43Å; K133-Q137 HydrophobicContact CD-CG 4.3Å; K133-Q137 HydrophobicContact CG-CG 4.18Å; T134-Q137 PolarHBondContact O-N 3.2Å; T134-Q137 PolarHBondContact OG1-N 2.93Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; L135-Q137 PolarHBondContact O-N 3.09Å; Q137-Q139 VanDerWaalsContact C-N 3.27Å; Q137-Q139 PolarHBondContact O-N 3.35Å; Q137-A140 PolarHBondContact O-N 2.94Å; Q137-E141 HydrophobicContact CG-CG 4.42Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.48Å; Q137-E141 WeakPolarHBondContact O-CG 3.44Å; Q137-E141 PolarHBondContact O-N 2.79Å; Q137-F184 HydrophobicContact CB-CD1 3.74Å; Q137-F184 HydrophobicContact CB-CE1 3.79Å; Q137-F184 HydrophobicContact CB-CG 4.42Å; Q137-F184 HydrophobicContact CG-CD1 3.73Å; Q137-F184 HydrophobicContact CG-CE1 4.22Å; Q137-F184 HydrophobicContact CG-CG 4.43Å
138I98.9Very high98.7Very high7 Ų723.1 Ų23.14%0.03614%0.135CC..Hα-helixtrans-58.4-42.5176.8-64168.4000110.6L129 K133 T134 L135 R142 I255 L425 P485L129-I138 HydrophobicContact CD1-CD1 3.63Å; K133-I138 HydrophobicContact CB-CD1 4.48Å; K133-I138 HydrophobicContact CB-CG1 4Å; T134-I138 WeakPolarHBondContact O-CG1 3.45Å; T134-I138 PolarHBondContact O-N 3.11Å; L135-I138 PolarHBondContact O-N 2.73Å; I138-R142 WeakPolarHBondContact O-CG 3.5Å; I138-R142 PolarHBondContact O-N 3.06Å; I138-R142 VanDerWaalsContact O-N 3.09Å; I138-I255 HydrophobicContact CD1-CD1 4.45Å; I138-I255 HydrophobicContact CD1-CG1 4.17Å; I138-L425 HydrophobicContact CD1-CD2 4.48Å; I138-P485 HydrophobicContact CG2-CG 4.25Å
139Q98.9Very high98.7Very high2 Ų222.5 Ų22.51%0.00912%0.123CC..Hα-helixtrans-66.4-42177.5-69.2168.228.100112.3L135 F136 Q137 R142 I143 W162 Y250 V252 V257 V259L135-Q139 WeakPolarHBondContact O-CB 3.16Å; L135-Q139 WeakPolarHBondContact O-CG 3.39Å; L135-Q139 PolarHBondContact O-N 3.11Å; L135-Q139 VanDerWaalsContact O-N 3.07Å; F136-Q139 PolarHBondContact O-N 3.15Å; Q137-Q139 VanDerWaalsContact C-N 3.27Å; Q137-Q139 PolarHBondContact O-N 3.35Å; Q139-R142 PolarHBondContact O-N 2.8Å; Q139-I143 WeakPolarHBondContact O-CG1 3.4Å; Q139-I143 PolarHBondContact O-N 2.75Å; Q139-W162 HydrophobicContact CB-CH2 4.04Å; Q139-W162 HydrophobicContact CB-CZ2 3.95Å; Q139-Y250 HydrophobicContact CG-CE2 4.22Å; Q139-Y250 PolarHBondContact OE1-OH 3.14Å; Q139-V252 PolarHBondContact NE2-O 3.08Å; Q139-V257 HydrophobicContact CG-CG1 4.06Å; Q139-V259 HydrophobicContact CB-CG2 4Å; Q139-V259 HydrophobicContact CG-CG2 3.91Å
140A98.9Very high98.7Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-61.6-44.3175.900000112.3F136 Q137 R142 I143 L144 W162 F184 L186F136-A140 WeakPolarHBondContact O-CB 3.47Å; F136-A140 PolarHBondContact O-N 3.1Å; Q137-A140 PolarHBondContact O-N 2.94Å; A140-R142 VanDerWaalsContact C-N 3.32Å; A140-R142 PolarHBondContact O-N 2.8Å; A140-I143 WeakPolarHBondContact O-CB 3.36Å; A140-I143 PolarHBondContact O-N 3Å; A140-I143 VanDerWaalsContact O-N 3.17Å; A140-L144 PolarHBondContact O-N 3.29Å; A140-W162 HydrophobicContact CB-CH2 4.19Å; A140-W162 HydrophobicContact CB-CZ3 3.75Å; A140-F184 HydrophobicContact CB-CB 3.57Å; A140-F184 HydrophobicContact CB-CD2 4Å; A140-F184 HydrophobicContact CB-CG 4.03Å; A140-L186 HydrophobicContact CB-CD1 4.1Å
141E98.9Very high98.8Very high8 Ų824.7 Ų24.74%0.03713%0.13CC..Hα-helixtrans-65.6-35178.8-71.5177.6-162.400111.7K133 Q137 I143 L144 K145 S484 P485 L486K133-E141 VanDerWaalsContact CE-OE1 3.22Å; K133-E141 WeakPolarHBondContact CE-OE1 3.45Å; K133-E141 IonicContact NZ-OE1 2.81Å; K133-E141 PolarHBondContact NZ-OE1 2.92Å; K133-E141 IonicContact NZ-OE2 3.6Å; K133-E141 PolarHBondContact NZ-OE2 3.03Å; Q137-E141 HydrophobicContact CG-CG 4.42Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.48Å; Q137-E141 WeakPolarHBondContact O-CG 3.44Å; Q137-E141 PolarHBondContact O-N 2.79Å; E141-I143 PolarHBondContact O-N 2.93Å; E141-L144 PolarHBondContact O-N 3.27Å; E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 PolarHBondContact O-N 3.28Å; E141-S484 PolarHBondContact OE2-OG 3.37Å; E141-P485 HydrophobicContact CB-CB 3.85Å; E141-P485 HydrophobicContact CB-CG 3.98Å; E141-P485 WeakPolarHBondContact OE2-CD 3.48Å; E141-L486 HydrophobicContact CB-CD2 4.11Å; E141-L486 HydrophobicContact CB-CG 4.14Å; E141-L486 HydrophobicContact CG-CD1 4.37Å; E141-L486 HydrophobicContact CG-CD2 4.32Å; E141-L486 HydrophobicContact CG-CG 4.12Å
142R98.9Very high98.8Very high12 Ų1231.7 Ų31.75%0.04516%0.156CC..Hα-helixtrans-62.2-39.8171.2-77.7179.3178140.18.6112.6I138 Q139 A140 L146 I255 V257 V259 P485 Y489I138-R142 WeakPolarHBondContact O-CG 3.5Å; I138-R142 PolarHBondContact O-N 3.06Å; I138-R142 VanDerWaalsContact O-N 3.09Å; Q139-R142 PolarHBondContact O-N 2.8Å; A140-R142 VanDerWaalsContact C-N 3.32Å; A140-R142 PolarHBondContact O-N 2.8Å; R142-L146 PolarHBondContact O-N 3.32Å; R142-I255 PolarHBondContact NH1-O 2.91Å; R142-I255 PolarHBondContact NH2-O 3.4Å; R142-V257 WeakPolarHBondContact CD-O 3.35Å; R142-V257 VanDerWaalsContact CZ-O 3.26Å; R142-V257 PolarHBondContact NE-O 3.39Å; R142-V257 PolarHBondContact NH1-O 2.89Å; R142-V259 HydrophobicContact CB-CB 4.19Å; R142-V259 HydrophobicContact CB-CG2 4.46Å; R142-P485 HydrophobicContact CB-CB 4.47Å; R142-P485 HydrophobicContact CG-CB 3.72Å; R142-P485 HydrophobicContact CG-CG 3.93Å; R142-Y489 HydrophobicContact CB-CD2 4.28Å; R142-Y489 HydrophobicContact CB-CE2 3.94Å; R142-Y489 HydrophobicContact CG-CD2 4.26Å; R142-Y489 HydrophobicContact CG-CE2 4.15Å
143I98.9Very high98.8Very high0 Ų035.9 Ų35.90%016%0.161CC..Hα-helixtrans-64.9-48.7174.7-64.4166.6000110.3V105 Q139 A140 E141 K145 L146 Q147 I160 W162 L186 V259V105-I143 HydrophobicContact CG2-CD1 3.84Å; V105-I143 HydrophobicContact CG2-CG1 4.39Å; Q139-I143 WeakPolarHBondContact O-CG1 3.4Å; Q139-I143 PolarHBondContact O-N 2.75Å; A140-I143 WeakPolarHBondContact O-CB 3.36Å; A140-I143 PolarHBondContact O-N 3Å; A140-I143 VanDerWaalsContact O-N 3.17Å; E141-I143 PolarHBondContact O-N 2.93Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 2.98Å; I143-L146 PolarHBondContact O-N 2.54Å; I143-Q147 WeakPolarHBondContact O-CG 3.34Å; I143-Q147 PolarHBondContact O-N 2.87Å; I143-Q147 VanDerWaalsContact O-N 3.08Å; I143-I160 HydrophobicContact CG2-CB 3.96Å; I143-I160 HydrophobicContact CG2-CD1 4.41Å; I143-I160 HydrophobicContact CG2-CG2 4.35Å; I143-W162 HydrophobicContact CD1-CB 4.17Å; I143-W162 HydrophobicContact CD1-CD2 3.57Å; I143-W162 HydrophobicContact CD1-CE3 3.76Å; I143-W162 HydrophobicContact CD1-CG 3.81Å; I143-W162 HydrophobicContact CD1-CZ3 4.31Å; I143-L186 HydrophobicContact CD1-CD1 4.37Å; I143-L186 HydrophobicContact CG2-CD1 4.45Å; I143-L186 HydrophobicContact CG2-CD2 3.92Å; I143-V259 HydrophobicContact CD1-CG1 4Å; I143-V259 HydrophobicContact CG1-CB 4.43Å; I143-V259 HydrophobicContact CG1-CG1 3.57Å
144L98.9Very high98.7Very high27 Ų2739.1 Ų39.114%0.14117%0.174CC..Hα-helixtrans-57.4-44.9177.7-77.1170.2000111.7A140 E141 L146 Q147 Q148 F184 L186 L486A140-L144 PolarHBondContact O-N 3.29Å; E141-L144 PolarHBondContact O-N 3.27Å; L144-L146 PolarHBondContact O-N 3.19Å; L144-Q147 PolarHBondContact O-N 2.95Å; L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.35Å; L144-Q148 PolarHBondContact O-N 2.95Å; L144-F184 WeakPolarHBondContact CD1-O 3.41Å; L144-L186 HydrophobicContact CD2-CD2 3.62Å; L144-L186 HydrophobicContact CD2-CG 4.17Å; L144-L186 HydrophobicContact CG-CD2 3.81Å; L144-L186 HydrophobicContact CG-CG 4.09Å; L144-L486 HydrophobicContact CB-CD2 3.81Å; L144-L486 HydrophobicContact CD1-CD2 4.38Å
145K98.9Very high98.7Very high28 Ų2841.7 Ų41.712%0.12220%0.203CC..Hα-helixtrans-56.6-48.3177.5178.658.6162.8-1700111.9E141 I143 Q147 Q148 V149 P485 L486 I487 Y489E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 PolarHBondContact O-N 3.28Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 2.98Å; K145-Q147 PolarHBondContact O-N 2.88Å; K145-Q148 WeakPolarHBondContact O-CB 3.42Å; K145-Q148 PolarHBondContact O-N 3.24Å; K145-V149 HydrophobicContact CD-CG2 3.98Å; K145-V149 HydrophobicContact CG-CG2 4.3Å; K145-V149 VanDerWaalsContact O-CG2 3.3Å; K145-V149 WeakPolarHBondContact O-CG2 3.11Å; K145-V149 PolarHBondContact O-N 2.83Å; K145-P485 VanDerWaalsContact CB-O 3.27Å; K145-P485 WeakPolarHBondContact CB-O 3.08Å; K145-P485 VanDerWaalsContact CD-O 3.27Å; K145-P485 WeakPolarHBondContact CD-O 3.47Å; K145-P485 WeakPolarHBondContact CG-O 3.31Å; K145-L486 WeakPolarHBondContact CD-O 3.5Å; K145-L486 PolarHBondContact NZ-O 3.05Å; K145-I487 PolarHBondContact NZ-O 3.5Å; K145-Y489 HydrophobicContact CG-CD2 4.35Å
146L98.9Very high98.6Very high4 Ų444 Ų442%0.02122%0.216CC..Hα-helixtrans-66.5-36.8-179.9-74.2174.7000112.8L95 I98 R142 I143 L144 Q148 V149 A150 I160 V259 A260 P262 Y489L95-L146 HydrophobicContact CD2-CD2 4.11Å; I98-L146 HydrophobicContact CD1-CB 4.38Å; I98-L146 HydrophobicContact CD1-CD1 4.21Å; R142-L146 PolarHBondContact O-N 3.32Å; I143-L146 PolarHBondContact O-N 2.54Å; L144-L146 PolarHBondContact O-N 3.19Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 2.95Å; L146-V149 PolarHBondContact O-N 3.42Å; L146-A150 VanDerWaalsContact O-CB 3.29Å; L146-A150 WeakPolarHBondContact O-CB 3.44Å; L146-A150 PolarHBondContact O-N 3.37Å; L146-I160 HydrophobicContact CB-CD1 3.98Å; L146-V259 WeakPolarHBondContact CD1-O 3.25Å; L146-A260 HydrophobicContact CD1-CB 3.7Å; L146-A260 VanDerWaalsContact CD1-O 3.22Å; L146-A260 WeakPolarHBondContact CD1-O 3.45Å; L146-P262 HydrophobicContact CD2-CG 4.14Å; L146-Y489 HydrophobicContact CD1-CD2 4.32Å; L146-Y489 HydrophobicContact CD1-CE2 3.55Å; L146-Y489 HydrophobicContact CD2-CD1 4.36Å; L146-Y489 HydrophobicContact CD2-CD2 4.11Å; L146-Y489 HydrophobicContact CD2-CE1 4.34Å; L146-Y489 HydrophobicContact CD2-CE2 4.06Å; L146-Y489 HydrophobicContact CD2-CG 4.25Å; L146-Y489 HydrophobicContact CG-CD2 3.87Å; L146-Y489 HydrophobicContact CG-CE2 3.62Å
147Q98.9Very high98.6Very high22 Ų2250.5 Ų50.510%0.10324%0.244CC..Hα-helixtrans-61.3-42.3172.4-67.4176.8157.800111.3I143 L144 K145 E151 I159 I160I143-Q147 WeakPolarHBondContact O-CG 3.34Å; I143-Q147 PolarHBondContact O-N 2.87Å; I143-Q147 VanDerWaalsContact O-N 3.08Å; L144-Q147 PolarHBondContact O-N 2.95Å; K145-Q147 PolarHBondContact O-N 2.88Å; Q147-E151 VanDerWaalsContact O-CB 3.27Å; Q147-E151 WeakPolarHBondContact O-CB 3.46Å; Q147-E151 PolarHBondContact O-N 2.95Å; Q147-I159 VanDerWaalsContact OE1-CA 3.32Å; Q147-I160 HydrophobicContact CG-CD1 4.23Å; Q147-I160 HydrophobicContact CG-CG1 4.16Å
148Q98.8Very high98.5Very high94 Ų9448.3 Ų48.344%0.43923%0.234SC..Hα-helixtrans-65.9-43.4176.9-69.4166.5-15.400112.3L144 K145 L146 E151 K152L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.35Å; L144-Q148 PolarHBondContact O-N 2.95Å; K145-Q148 WeakPolarHBondContact O-CB 3.42Å; K145-Q148 PolarHBondContact O-N 3.24Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 2.95Å; Q148-E151 PolarHBondContact O-N 2.78Å; Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 PolarHBondContact O-N 3.16Å
149V98.7Very high98.5Very high28 Ų2849.9 Ų49.917%0.1724%0.242CC..Hα-helixtrans-63.5-50.1177.9170.70000109.8L95 K145 L146 E151 K152 Y153L95-V149 HydrophobicContact CD1-CG1 4.12Å; L95-V149 HydrophobicContact CD2-CG1 3.97Å; K145-V149 HydrophobicContact CD-CG2 3.98Å; K145-V149 HydrophobicContact CG-CG2 4.3Å; K145-V149 VanDerWaalsContact O-CG2 3.3Å; K145-V149 WeakPolarHBondContact O-CG2 3.11Å; K145-V149 PolarHBondContact O-N 2.83Å; L146-V149 PolarHBondContact O-N 3.42Å; V149-E151 VanDerWaalsContact C-N 3.35Å; V149-E151 PolarHBondContact O-N 3.02Å; V149-K152 PolarHBondContact O-N 2.88Å; V149-Y153 HydrophobicContact CG1-CD2 3.88Å; V149-Y153 HydrophobicContact CG1-CE2 4.02Å; V149-Y153 WeakPolarHBondContact O-CD2 3.43Å; V149-Y153 PolarHBondContact O-N 3.5Å
150A98.6Very high98.5Very high0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-61-41.8177.800000112.2I98 L146 K152 Y153 Y154I98-A150 HydrophobicContact CB-CB 4.38Å; I98-A150 HydrophobicContact CG2-CB 3.71Å; L146-A150 VanDerWaalsContact O-CB 3.29Å; L146-A150 WeakPolarHBondContact O-CB 3.44Å; L146-A150 PolarHBondContact O-N 3.37Å; A150-K152 PolarHBondContact O-N 3.3Å; A150-Y153 PolarHBondContact O-N 3.48Å; A150-Y154 WeakPolarHBondContact O-CB 3.44Å; A150-Y154 WeakPolarHBondContact O-CD2 3.3Å; A150-Y154 PolarHBondContact O-N 3.31Å
151E98.6Very high98.5Very high83 Ų8350.1 Ų50.139%0.38824%0.243SC..Hα-helixtrans-61.5-41.3174.5178.9169.7-163.100112.2Q147 Q148 V149 G155 N156Q147-E151 VanDerWaalsContact O-CB 3.27Å; Q147-E151 WeakPolarHBondContact O-CB 3.46Å; Q147-E151 PolarHBondContact O-N 2.95Å; Q148-E151 PolarHBondContact O-N 2.78Å; V149-E151 VanDerWaalsContact C-N 3.35Å; V149-E151 PolarHBondContact O-N 3.02Å; E151-G155 WeakPolarHBondContact O-CA 3.5Å; E151-G155 PolarHBondContact O-N 3.19Å; E151-N156 WeakPolarHBondContact CA-O 3.43Å; E151-N156 WeakPolarHBondContact CB-O 3.44Å
152K98.1Very high98.5Very high184 Ų18449.8 Ų49.880%0.824%0.242SC*.Hα-helixtrans-64.4-40177.1-174.6-179.4178.2-1780112.6Q148 V149 A150Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 PolarHBondContact O-N 3.16Å; V149-K152 PolarHBondContact O-N 2.88Å; A150-K152 PolarHBondContact O-N 3.3Å
153Y97.6Very high98.5Very high167 Ų16749.2 Ų49.266%0.65524%0.24SC*.Hα-helixtrans-79.8-35.7-177.5-87.8-92.3000113.4V149 A150V149-Y153 HydrophobicContact CG1-CD2 3.88Å; V149-Y153 HydrophobicContact CG1-CE2 4.02Å; V149-Y153 WeakPolarHBondContact O-CD2 3.43Å; V149-Y153 PolarHBondContact O-N 3.5Å; A150-Y153 PolarHBondContact O-N 3.48Å
154Y98.4Very high98.5Very high89 Ų8949.2 Ų49.235%0.34924%0.24SC..Hα-helixtrans-110.7-7.3-172.9-65-79.7000114.2S92 L95 F96 A150 N156S92-Y154 PolarHBondContact O-OH 2.64Å; L95-Y154 HydrophobicContact CB-CE2 4.06Å; F96-Y154 HydrophobicContact CB-CE1 4.37Å; F96-Y154 WeakPolarHBondContact CB-OH 3.47Å; F96-Y154 HydrophobicContact CD2-CD1 4.37Å; F96-Y154 AromaticContact CD2-CE1 3.86Å; F96-Y154 HydrophobicContact CD2-CE1 3.86Å; A150-Y154 WeakPolarHBondContact O-CB 3.44Å; A150-Y154 WeakPolarHBondContact O-CD2 3.3Å; A150-Y154 PolarHBondContact O-N 3.31Å; Y154-N156 VanDerWaalsContact C-N 3.29Å; Y154-N156 PolarHBondContact O-N 2.89Å
155G98Very high98.5Very high69 Ų6948 Ų4871%0.71123%0.233SC*.SBendtrans78.25.3172.700000115.2E151E151-G155 WeakPolarHBondContact O-CA 3.5Å; E151-G155 PolarHBondContact O-N 3.19Å
156N97.1Very high98.5Very high53 Ų5346.7 Ų46.728%0.28323%0.227SC..SBendtrans-123.6138.1178.371.7-86.6000111.9S99 E151 Y154 C158S99-N156 PolarHBondContact O-ND2 3.09Å; E151-N156 WeakPolarHBondContact CA-O 3.43Å; E151-N156 WeakPolarHBondContact CB-O 3.44Å; Y154-N156 VanDerWaalsContact C-N 3.29Å; Y154-N156 PolarHBondContact O-N 2.89Å; N156-C158 PolarHBondContact O-N 2.87Å
157K97.7Very high98.3Very high136 Ų13646.5 Ų46.559%0.59123%0.227SC*.  trans-60.3132.8169.3-171.8169.7-172.91600109.6
158C98.5Very high98Very high1 Ų147 Ų471%0.00724%0.238CC..  trans-129.9163.1178.260.80000111.4I98 N101 N156I98-C158 WeakPolarHBondContact O-CB 3.37Å; N101-C158 WeakPolarHBondContact OD1-CA 3.43Å; N101-C158 WeakPolarHBondContact OD1-CB 3.4Å; N156-C158 PolarHBondContact O-N 2.87Å
159I98.8Very high97.6Very high40 Ų4048 Ų4821%0.20524%0.238CC..  trans-130.8132.2-175.5-59.6-62.1000108.8N101 Q147 P161 N190N101-I159 PolarHBondContact OD1-N 3.14Å; Q147-I159 VanDerWaalsContact OE1-CA 3.32Å; I159-P161 HydrophobicContact CG2-CG 4.38Å; I159-N190 HydrophobicContact CG2-CB 4Å; I159-N190 VanDerWaalsContact CG2-CG 3.5Å; I159-N190 WeakPolarHBondContact CG2-ND2 3.33Å
160I98.9Very high97.4Very high3 Ų346.7 Ų46.72%0.01523%0.23CC..  trans-108.7103.2166-58.6169.4000106.8I98 V105 I143 L146 Q147 A260I98-I160 HydrophobicContact CD1-CD1 4.24Å; I98-I160 HydrophobicContact CG1-CD1 4.22Å; I98-I160 HydrophobicContact CG2-CD1 3.8Å; I98-I160 HydrophobicContact CG2-CG1 3.94Å; V105-I160 HydrophobicContact CG1-CG2 4.01Å; V105-I160 HydrophobicContact CG2-CG2 4.18Å; I143-I160 HydrophobicContact CG2-CB 3.96Å; I143-I160 HydrophobicContact CG2-CD1 4.41Å; I143-I160 HydrophobicContact CG2-CG2 4.35Å; L146-I160 HydrophobicContact CB-CD1 3.98Å; Q147-I160 HydrophobicContact CG-CD1 4.23Å; Q147-I160 HydrophobicContact CG-CG1 4.16Å; I160-A260 HydrophobicContact CD1-CB 4.03Å; I160-A260 HydrophobicContact CG2-CB 4.37Å
161P98.9Very high97.4Very high4 Ų447 Ų473%0.02623%0.231CC..  trans-60.3139.3175.1-2334.3000111.3V103 A104 V105 I159 Y163 I192 I244V103-P161 WeakPolarHBondContact O-CD 3.4Å; A104-P161 WeakPolarHBondContact CA-O 3.36Å; A104-P161 HydrophobicContact CB-CB 4.03Å; A104-P161 HydrophobicContact CB-CG 4.23Å; A104-P161 WeakPolarHBondContact CB-O 3.46Å; V105-P161 PolarHBondContact N-O 2.91Å; I159-P161 HydrophobicContact CG2-CG 4.38Å; P161-Y163 HydrophobicContact CB-CE2 3.85Å; P161-I192 HydrophobicContact CB-CD1 4.3Å; P161-I244 HydrophobicContact CG-CD1 3.88Å; P161-I244 HydrophobicContact CG-CG1 4.45Å
162W98.9Very high97.3Very high1 Ų148.2 Ų48.20%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-112.8102.7178.1-166.68.4000110.4V105 L107 F136 Q139 A140 I143 I164 F178 L186 N190 V191 I192 Y250V105-W162 HydrophobicContact CG2-CB 4.11Å; V105-W162 HydrophobicContact CG2-CG 3.91Å; L107-W162 HydrophobicContact CD2-CZ2 3.78Å; F136-W162 HydrophobicContact CD1-CH2 4.44Å; Q139-W162 HydrophobicContact CB-CH2 4.04Å; Q139-W162 HydrophobicContact CB-CZ2 3.95Å; A140-W162 HydrophobicContact CB-CH2 4.19Å; A140-W162 HydrophobicContact CB-CZ3 3.75Å; I143-W162 HydrophobicContact CD1-CB 4.17Å; I143-W162 HydrophobicContact CD1-CD2 3.57Å; I143-W162 HydrophobicContact CD1-CE3 3.76Å; I143-W162 HydrophobicContact CD1-CG 3.81Å; I143-W162 HydrophobicContact CD1-CZ3 4.31Å; W162-I164 HydrophobicContact CD2-CD1 3.82Å; W162-I164 HydrophobicContact CD2-CG1 4.06Å; W162-I164 HydrophobicContact CE3-CD1 4.11Å; W162-I164 HydrophobicContact CG-CD1 4.23Å; W162-I164 HydrophobicContact CG-CG1 4.01Å; W162-I164 HydrophobicContact CH2-CD1 4.49Å; W162-I164 HydrophobicContact CZ2-CD1 4.22Å; W162-I164 HydrophobicContact CZ3-CD1 4.43Å; W162-F178 HydrophobicContact CE3-CE1 4Å; W162-F178 HydrophobicContact CE3-CZ 4.44Å; W162-F178 AromaticContact CH2-CE1 4Å; W162-F178 HydrophobicContact CH2-CE1 4Å; W162-F178 AromaticContact CH2-CZ 3.75Å; W162-F178 HydrophobicContact CH2-CZ 3.75Å; W162-F178 HydrophobicContact CZ2-CZ 4.45Å; W162-F178 AromaticContact CZ3-CE1 3.47Å; W162-F178 HydrophobicContact CZ3-CE1 3.47Å; W162-F178 VanDerWaalsContact CZ3-CE1 3.47Å; W162-F178 AromaticContact CZ3-CZ 3.74Å; W162-F178 HydrophobicContact CZ3-CZ 3.74Å; W162-L186 HydrophobicContact CE3-CD1 3.72Å; W162-L186 HydrophobicContact CZ3-CD1 4.06Å; W162-N190 PolarHBondContact N-O 3.23Å; W162-V191 HydrophobicContact CE3-CG2 4.43Å; W162-V191 CarbonylContact O-C 3.5Å; W162-V191 WeakPolarHBondContact O-CA 3.19Å; W162-I192 PolarHBondContact O-N 3.25Å; W162-Y250 WeakPolarHBondContact CZ2-OH 3.45Å; W162-Y250 PolarHBondContact NE1-OH 2.68Å; W162-Y250 VanDerWaalsContact NE1-OH 3.12Å
163Y98.9Very high97.3Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-86125.8172.3-59.3-85.8000108.9A104 V105 L106 L107 P161 I192 I235 D238 M239 R242A104-Y163 HydrophobicContact CB-CD2 4.05Å; A104-Y163 HydrophobicContact CB-CE2 3.65Å; V105-Y163 PolarHBondContact O-N 3.34Å; L106-Y163 CarbonylContact C-O 3.45Å; L106-Y163 WeakPolarHBondContact CA-O 3.13Å; L107-Y163 PolarHBondContact N-O 2.87Å; P161-Y163 HydrophobicContact CB-CE2 3.85Å; Y163-I192 CarbonylContact C-O 3.45Å; Y163-I192 WeakPolarHBondContact CA-O 3.31Å; Y163-I192 HydrophobicContact CD1-CB 3.7Å; Y163-I192 HydrophobicContact CD1-CD1 4.12Å; Y163-I192 HydrophobicContact CD1-CG1 4.21Å; Y163-I192 HydrophobicContact CD1-CG2 3.97Å; Y163-I192 HydrophobicContact CE1-CB 4.01Å; Y163-I192 HydrophobicContact CE1-CD1 3.84Å; Y163-I192 HydrophobicContact CE1-CG1 4.03Å; Y163-I192 HydrophobicContact CE1-CG2 4.23Å; Y163-I235 HydrophobicContact CD1-CG2 3.63Å; Y163-I235 HydrophobicContact CE1-CG2 3.87Å; Y163-I235 HydrophobicContact CG-CG2 4.31Å; Y163-D238 VanDerWaalsContact CE1-OD1 3.25Å; Y163-D238 WeakPolarHBondContact CE1-OD1 3.38Å; Y163-D238 VanDerWaalsContact CZ-OD1 3.28Å; Y163-D238 PolarHBondContact OH-OD1 2.93Å; Y163-M239 HydrophobicContact CD1-CE 4.41Å; Y163-M239 HydrophobicContact CD2-CE 3.7Å; Y163-M239 HydrophobicContact CE1-CE 4.48Å; Y163-M239 HydrophobicContact CE1-CG 4.35Å; Y163-M239 HydrophobicContact CE2-CE 3.77Å; Y163-M239 HydrophobicContact CE2-CG 3.75Å; Y163-M239 HydrophobicContact CG-CE 4.03Å; Y163-M239 WeakPolarHBondContact OH-CG 3.28Å; Y163-R242 WeakPolarHBondContact OH-CD 3.5Å
164I98.9Very high97.4Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-119.8107.5-177.5-58.5176.7000108.3L107 A109 W162 T166 F178 V191 I192 F193 F194L107-I164 HydrophobicContact CB-CG1 4.36Å; L107-I164 HydrophobicContact CD2-CG1 4.4Å; L107-I164 HydrophobicContact CD2-CG2 4.25Å; A109-I164 HydrophobicContact CB-CG2 4.09Å; W162-I164 HydrophobicContact CD2-CD1 3.82Å; W162-I164 HydrophobicContact CD2-CG1 4.06Å; W162-I164 HydrophobicContact CE3-CD1 4.11Å; W162-I164 HydrophobicContact CG-CD1 4.23Å; W162-I164 HydrophobicContact CG-CG1 4.01Å; W162-I164 HydrophobicContact CH2-CD1 4.49Å; W162-I164 HydrophobicContact CZ2-CD1 4.22Å; W162-I164 HydrophobicContact CZ3-CD1 4.43Å; I164-T166 HydrophobicContact CG2-CG2 4.15Å; I164-T166 PolarHBondContact O-N 2.75Å; I164-F178 HydrophobicContact CD1-CE1 3.74Å; I164-F178 HydrophobicContact CD1-CE2 4.11Å; I164-F178 HydrophobicContact CD1-CZ 3.44Å; I164-F178 VanDerWaalsContact CD1-CZ 3.44Å; I164-V191 HydrophobicContact CD1-CG1 3.7Å; I164-V191 HydrophobicContact CG1-CG1 4.5Å; I164-I192 PolarHBondContact N-O 3.41Å; I164-F193 HydrophobicContact CB-CD1 3.8Å; I164-F193 HydrophobicContact CB-CE1 4.01Å; I164-F193 HydrophobicContact CD1-CD1 4.26Å; I164-F193 HydrophobicContact CD1-CE1 3.58Å; I164-F193 HydrophobicContact CD1-CZ 4.17Å; I164-F193 HydrophobicContact CG1-CE1 4.33Å; I164-F193 HydrophobicContact CG2-CD1 4Å; I164-F193 HydrophobicContact CG2-CE1 4.1Å; I164-F194 PolarHBondContact O-N 2.91Å; I164-F194 VanDerWaalsContact O-N 3.1Å
165M98.8Very high97.4Very high2 Ų233.2 Ų33.21%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-80.7115.5174.6-168.8175.976.600109.9L107 L108 A109 G110 F194 Q196 L226L107-M165 WeakPolarHBondContact O-CB 3.45Å; L107-M165 PolarHBondContact O-N 3.17Å; L108-M165 HydrophobicContact CD2-CE 3.56Å; L108-M165 HydrophobicContact CD2-SD 4.38Å; A109-M165 CarbonylContact C-O 3.58Å; A109-M165 VanDerWaalsContact CA-O 3.23Å; A109-M165 WeakPolarHBondContact CA-O 3.2Å; A109-M165 WeakPolarHBondContact CB-O 3.4Å; A109-M165 PolarHBondContact N-O 2.95Å; G110-M165 PolarHBondContact N-O 3.27Å; M165-F194 CarbonylContact C-O 3.53Å; M165-F194 WeakPolarHBondContact CA-O 3.41Å; M165-F194 HydrophobicContact CB-CE1 3.8Å; M165-F194 HydrophobicContact CB-CE2 3.88Å; M165-F194 HydrophobicContact CB-CZ 3.45Å; M165-F194 VanDerWaalsContact CB-CZ 3.45Å; M165-F194 HydrophobicContact CG-CD2 4.29Å; M165-F194 HydrophobicContact CG-CE1 4.48Å; M165-F194 HydrophobicContact CG-CE2 3.68Å; M165-F194 HydrophobicContact CG-CZ 3.8Å; M165-F194 HydrophobicContact SD-CE2 4.06Å; M165-F194 HydrophobicContact SD-CZ 4.27Å; M165-Q196 HydrophobicContact CE-CB 4.44Å; M165-Q196 HydrophobicContact CG-CB 4.06Å; M165-Q196 HydrophobicContact SD-CB 3.91Å; M165-L226 HydrophobicContact CE-CB 4.33Å; M165-L226 WeakPolarHBondContact SD-CA 3.25Å; M165-L226 HydrophobicContact SD-CB 3.81Å; M165-L226 HydrophobicContact SD-CD1 3.68Å; M165-L226 HydrophobicContact SD-CG 4.39Å
166T98.3Very high97.4Very high0 Ų036.4 Ų36.40%018%0.178CC..EExtended strand (participates in β ladder)trans-105.8179.5174.662.80000110.6I164 T170 M171 T174 F193 F194 Q196I164-T166 HydrophobicContact CG2-CG2 4.15Å; I164-T166 PolarHBondContact O-N 2.75Å; T166-T170 WeakPolarHBondContact CB-OG1 3.47Å; T166-M171 HydrophobicContact CG2-SD 4.48Å; T166-M171 WeakPolarHBondContact OG1-CE 3.48Å; T166-M171 PolarHBondContact OG1-SD 3.45Å; T166-T174 HydrophobicContact CG2-CG2 4.2Å; T166-F193 HydrophobicContact CG2-CD1 4.46Å; T166-F194 PolarHBondContact N-O 2.95Å; T166-F194 PolarHBondContact OG1-O 3.28Å; T166-Q196 PolarHBondContact O-N 3.44Å; T166-Q196 PolarHBondContact O-NE2 3.21Å
167S95.4Very high97.5Very high1 Ų135.3 Ų35.31%0.00717%0.171CC..  trans-115.6171.2165.566.60000109.4G110 R169 T170 M171G110-S167 WeakPolarHBondContact O-CB 3.47Å; G110-S167 PolarHBondContact O-OG 3Å; S167-R169 PolarHBondContact O-N 3.47Å; S167-R169 PolarHBondContact OG-N 2.8Å; S167-T170 PolarHBondContact N-OG1 3.26Å; S167-T170 PolarHBondContact O-N 2.97Å; S167-T170 PolarHBondContact OG-OG1 2.98Å; S167-M171 PolarHBondContact O-N 2.95Å
168G92.1Very high97.5Very high33 Ų3328.9 Ų28.934%0.3414%0.143SC..THydrogen-bonded Turntrans-59-15173.900000114.1
169R90.2Very high97.6Very high115 Ų11532.6 Ų32.643%0.43417%0.166SC..THydrogen-bonded Turntrans-92.8-13.9175.6-60.6-176.4-179.1-133.2-3.6113.6S167 M198 E211 M218S167-R169 PolarHBondContact O-N 3.47Å; S167-R169 PolarHBondContact OG-N 2.8Å; R169-M198 HydrophobicContact CG-CE 4.47Å; R169-E211 IonicContact NH2-OE2 3.89Å; R169-M218 PolarHBondContact NH2-O 3.08Å
170T95.3Very high97.6Very high0 Ų038.6 Ų38.60%019%0.191CC..THydrogen-bonded Turntrans-118.5-20.9-173.963.50000113.7A109 P121 T166 S167 E172 S173 T174A109-T170 PolarHBondContact O-OG1 2.84Å; P121-T170 HydrophobicContact CB-CG2 3.98Å; P121-T170 HydrophobicContact CG-CG2 3.8Å; T166-T170 WeakPolarHBondContact CB-OG1 3.47Å; S167-T170 PolarHBondContact N-OG1 3.26Å; S167-T170 PolarHBondContact O-N 2.97Å; S167-T170 PolarHBondContact OG-OG1 2.98Å; T170-E172 PolarHBondContact O-N 3.02Å; T170-S173 PolarHBondContact O-OG 3.4Å; T170-T174 WeakPolarHBondContact O-CB 3.34Å; T170-T174 PolarHBondContact O-N 3.11Å; T170-T174 PolarHBondContact O-OG1 2.81Å
171M97.3Very high97.5Very high6 Ų641.6 Ų41.63%0.0320%0.204CC..Hα-helixtrans-50.3-59.7-172.6175.358.984.200114.6T166 S167 T174 K175 F193 Q195T166-M171 HydrophobicContact CG2-SD 4.48Å; T166-M171 WeakPolarHBondContact OG1-CE 3.48Å; T166-M171 PolarHBondContact OG1-SD 3.45Å; S167-M171 PolarHBondContact O-N 2.95Å; M171-T174 PolarHBondContact O-N 3.02Å; M171-K175 HydrophobicContact CG-CD 4.35Å; M171-K175 PolarHBondContact O-N 3.44Å; M171-K175 HydrophobicContact SD-CD 3.72Å; M171-K175 WeakPolarHBondContact SD-CE 3.41Å; M171-K175 HydrophobicContact SD-CG 4.14Å; M171-K175 PolarHBondContact SD-NZ 2.92Å; M171-K175 VanDerWaalsContact SD-NZ 3.38Å; M171-F193 HydrophobicContact CE-CB 4.42Å; M171-F193 HydrophobicContact SD-CB 4.07Å; M171-Q195 HydrophobicContact CE-CB 3.58Å; M171-Q195 HydrophobicContact CE-CG 4.12Å
172E97.8Very high97.5Very high108 Ų10849.7 Ų49.751%0.50524%0.239SC..Hα-helixtrans-64.3-53.1-172.3-75.561.6-144.800110.4T170 T174 K175 E176T170-E172 PolarHBondContact O-N 3.02Å; E172-T174 VanDerWaalsContact C-N 3.26Å; E172-T174 PolarHBondContact O-N 3.25Å; E172-K175 PolarHBondContact O-N 2.99Å; E172-K175 VanDerWaalsContact O-N 3.11Å; E172-E176 WeakPolarHBondContact O-CG 3.41Å; E172-E176 PolarHBondContact O-N 3.01Å
173S97.7Very high97.5Very high39 Ų3950.8 Ų50.827%0.27324%0.243SC..Hα-helixtrans-56.8-40.2178.966.20000112P121 M124 T170 F177P121-S173 VanDerWaalsContact CD-OG 3.3Å; P121-S173 WeakPolarHBondContact CD-OG 3.48Å; P121-S173 WeakPolarHBondContact CG-OG 3.23Å; M124-S173 WeakPolarHBondContact CE-O 3.48Å; T170-S173 PolarHBondContact O-OG 3.4Å; S173-F177 VanDerWaalsContact O-CB 3.27Å; S173-F177 WeakPolarHBondContact O-CB 3.15Å; S173-F177 PolarHBondContact O-N 3.29Å
174T98.6Very high97.5Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-65.2-46.9176.8-65.10000111.5F136 T166 T170 M171 E172 E176 F177 F178 F193F136-T174 HydrophobicContact CE2-CG2 4.21Å; F136-T174 HydrophobicContact CZ-CG2 3.93Å; T166-T174 HydrophobicContact CG2-CG2 4.2Å; T170-T174 WeakPolarHBondContact O-CB 3.34Å; T170-T174 PolarHBondContact O-N 3.11Å; T170-T174 PolarHBondContact O-OG1 2.81Å; M171-T174 PolarHBondContact O-N 3.02Å; E172-T174 VanDerWaalsContact C-N 3.26Å; E172-T174 PolarHBondContact O-N 3.25Å; T174-E176 PolarHBondContact O-N 2.77Å; T174-F177 PolarHBondContact O-N 3.36Å; T174-F178 HydrophobicContact CG2-CD2 3.98Å; T174-F178 HydrophobicContact CG2-CE2 3.97Å; T174-F178 VanDerWaalsContact O-CD2 3.32Å; T174-F178 WeakPolarHBondContact O-CD2 3.34Å; T174-F178 PolarHBondContact O-N 3.01Å; T174-F193 HydrophobicContact CG2-CD1 4.09Å; T174-F193 HydrophobicContact CG2-CE1 3.58Å; T174-F193 HydrophobicContact CG2-CZ 4.49Å
175K98.8Very high97.5Very high87 Ų8754.7 Ų54.738%0.37828%0.278SS..Hα-helixtrans-61-42.9177.6-79.4175.5169.4165.70112.5M171 E172 T179 F193M171-K175 HydrophobicContact CG-CD 4.35Å; M171-K175 PolarHBondContact O-N 3.44Å; M171-K175 HydrophobicContact SD-CD 3.72Å; M171-K175 WeakPolarHBondContact SD-CE 3.41Å; M171-K175 HydrophobicContact SD-CG 4.14Å; M171-K175 PolarHBondContact SD-NZ 2.92Å; M171-K175 VanDerWaalsContact SD-NZ 3.38Å; E172-K175 PolarHBondContact O-N 2.99Å; E172-K175 VanDerWaalsContact O-N 3.11Å; K175-T179 WeakPolarHBondContact O-CB 3.4Å; K175-T179 PolarHBondContact O-N 2.92Å; K175-T179 PolarHBondContact O-OG1 2.69Å; K175-F193 HydrophobicContact CG-CB 4.35Å; K175-F193 HydrophobicContact CG-CD1 4.42Å; K175-F193 HydrophobicContact CG-CD2 3.78Å; K175-F193 HydrophobicContact CG-CE2 4.15Å; K175-F193 HydrophobicContact CG-CG 3.92Å
176E98.7Very high97.5Very high135 Ų13555.5 Ų55.563%0.63128%0.282SS*.Hα-helixtrans-62.2-46.1176.3-73175.3-177.600111.2E172 T174 F178 T179 K180E172-E176 WeakPolarHBondContact O-CG 3.41Å; E172-E176 PolarHBondContact O-N 3.01Å; T174-E176 PolarHBondContact O-N 2.77Å; E176-F178 PolarHBondContact O-N 3.07Å; E176-T179 PolarHBondContact O-N 2.87Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 PolarHBondContact O-N 3.49Å
177F98.8Very high97.5Very high31 Ų3160.5 Ų60.514%0.13630%0.304CS..Hα-helixtrans-61.7-45.2179.8-172.4-103.2000112.3M124 T134 F136 S173 T174 K180 H181 F184M124-F177 HydrophobicContact CB-CE1 4.44Å; M124-F177 HydrophobicContact CB-CE2 4.3Å; M124-F177 HydrophobicContact CB-CZ 4.28Å; M124-F177 HydrophobicContact CE-CB 3.62Å; M124-F177 HydrophobicContact CE-CG 4.08Å; M124-F177 HydrophobicContact CG-CB 4.39Å; M124-F177 HydrophobicContact CG-CD1 3.87Å; M124-F177 HydrophobicContact CG-CD2 4Å; M124-F177 HydrophobicContact CG-CE1 4.07Å; M124-F177 HydrophobicContact CG-CE2 4.22Å; M124-F177 HydrophobicContact CG-CG 3.83Å; M124-F177 HydrophobicContact CG-CZ 4.28Å; M124-F177 HydrophobicContact SD-CB 4.01Å; M124-F177 HydrophobicContact SD-CD2 3.88Å; M124-F177 HydrophobicContact SD-CG 3.91Å; T134-F177 HydrophobicContact CG2-CZ 3.8Å; F136-F177 HydrophobicContact CB-CE1 4.38Å; F136-F177 AromaticContact CD2-CD1 3.96Å; F136-F177 HydrophobicContact CD2-CD1 3.96Å; F136-F177 HydrophobicContact CD2-CE1 4.03Å; S173-F177 VanDerWaalsContact O-CB 3.27Å; S173-F177 WeakPolarHBondContact O-CB 3.15Å; S173-F177 PolarHBondContact O-N 3.29Å; T174-F177 PolarHBondContact O-N 3.36Å; F177-K180 PolarHBondContact O-N 2.82Å; F177-H181 AromaticContact CD2-CE1 3.65Å; F177-H181 AromaticContact CD2-ND1 3.87Å; F177-H181 AromaticContact CE2-CE1 3.25Å; F177-H181 WeakPolarHBondContact CE2-CE1 3.36Å; F177-H181 AromaticContact CE2-ND1 3.79Å; F177-H181 AromaticContact CZ-CE1 3.56Å; F177-H181 AromaticContact CZ-ND1 3.87Å; F177-H181 PolarHBondContact O-N 3.32Å; F177-H181 VanDerWaalsContact O-N 3.13Å; F177-H181 PolarHBondContact O-ND1 2.86Å; F177-F184 AromaticContact CD1-CZ 3.92Å; F177-F184 HydrophobicContact CD1-CZ 3.92Å; F177-F184 HydrophobicContact CE1-CE1 4.33Å; F177-F184 HydrophobicContact CE1-CE2 4.46Å; F177-F184 AromaticContact CE1-CZ 3.54Å; F177-F184 HydrophobicContact CE1-CZ 3.54Å; F177-F184 HydrophobicContact CZ-CZ 4.39Å
178F98.9Very high97.7Very high0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-64.9-41.3175.8-88.9-108.3000112.1F136 W162 I164 T174 E176 H181 K182 Y183 F184 V191 F193F136-F178 HydrophobicContact CB-CE2 4.14Å; F136-F178 HydrophobicContact CB-CZ 4.16Å; F136-F178 AromaticContact CD1-CE2 3.72Å; F136-F178 HydrophobicContact CD1-CE2 3.72Å; F136-F178 AromaticContact CD1-CZ 3.78Å; F136-F178 HydrophobicContact CD1-CZ 3.78Å; F136-F178 AromaticContact CD2-CE2 3.77Å; F136-F178 HydrophobicContact CD2-CE2 3.77Å; F136-F178 AromaticContact CE1-CE2 3.95Å; F136-F178 HydrophobicContact CE1-CE2 3.95Å; F136-F178 HydrophobicContact CE1-CZ 4.25Å; F136-F178 HydrophobicContact CE2-CE2 4.01Å; F136-F178 AromaticContact CG-CE2 3.63Å; F136-F178 HydrophobicContact CG-CE2 3.63Å; F136-F178 AromaticContact CG-CZ 3.94Å; F136-F178 HydrophobicContact CG-CZ 3.94Å; F136-F178 HydrophobicContact CZ-CE2 4.1Å; W162-F178 HydrophobicContact CE3-CE1 4Å; W162-F178 HydrophobicContact CE3-CZ 4.44Å; W162-F178 AromaticContact CH2-CE1 4Å; W162-F178 HydrophobicContact CH2-CE1 4Å; W162-F178 AromaticContact CH2-CZ 3.75Å; W162-F178 HydrophobicContact CH2-CZ 3.75Å; W162-F178 HydrophobicContact CZ2-CZ 4.45Å; W162-F178 AromaticContact CZ3-CE1 3.47Å; W162-F178 HydrophobicContact CZ3-CE1 3.47Å; W162-F178 VanDerWaalsContact CZ3-CE1 3.47Å; W162-F178 AromaticContact CZ3-CZ 3.74Å; W162-F178 HydrophobicContact CZ3-CZ 3.74Å; I164-F178 HydrophobicContact CD1-CE1 3.74Å; I164-F178 HydrophobicContact CD1-CE2 4.11Å; I164-F178 HydrophobicContact CD1-CZ 3.44Å; I164-F178 VanDerWaalsContact CD1-CZ 3.44Å; T174-F178 HydrophobicContact CG2-CD2 3.98Å; T174-F178 HydrophobicContact CG2-CE2 3.97Å; T174-F178 VanDerWaalsContact O-CD2 3.32Å; T174-F178 WeakPolarHBondContact O-CD2 3.34Å; T174-F178 PolarHBondContact O-N 3.01Å; E176-F178 PolarHBondContact O-N 3.07Å; F178-H181 CarbonylContact O-C 3.5Å; F178-H181 PolarHBondContact O-N 2.84Å; F178-K182 PolarHBondContact O-N 3.44Å; F178-K182 VanDerWaalsContact O-N 3.12Å; F178-Y183 HydrophobicContact CB-CD1 4.31Å; F178-Y183 HydrophobicContact CB-CE1 4.32Å; F178-Y183 HydrophobicContact CD1-CD1 4.15Å; F178-Y183 PolarHBondContact O-N 3.32Å; F178-F184 HydrophobicContact CD1-CD2 4.14Å; F178-F184 AromaticContact CD1-CE2 3.91Å; F178-F184 HydrophobicContact CD1-CE2 3.91Å; F178-F184 HydrophobicContact CD2-CE2 4.23Å; F178-F184 HydrophobicContact CE1-CD2 4.07Å; F178-F184 AromaticContact CE1-CE2 3.92Å; F178-F184 HydrophobicContact CE1-CE2 3.92Å; F178-F184 HydrophobicContact CE2-CE2 4.24Å; F178-F184 HydrophobicContact CG-CE2 4.08Å; F178-F184 HydrophobicContact CZ-CE2 4.08Å; F178-V191 HydrophobicContact CD1-CG1 4.12Å; F178-V191 HydrophobicContact CE1-CG1 4.07Å; F178-F193 HydrophobicContact CB-CZ 3.85Å; F178-F193 AromaticContact CD1-CZ 3.92Å; F178-F193 HydrophobicContact CD1-CZ 3.92Å; F178-F193 HydrophobicContact CD2-CE1 4.16Å; F178-F193 AromaticContact CD2-CZ 3.94Å; F178-F193 HydrophobicContact CD2-CZ 3.94Å; F178-F193 HydrophobicContact CE1-CZ 4.43Å; F178-F193 HydrophobicContact CE2-CE1 4.34Å; F178-F193 HydrophobicContact CE2-CZ 4.45Å; F178-F193 HydrophobicContact CG-CE1 4.3Å; F178-F193 AromaticContact CG-CZ 3.64Å; F178-F193 HydrophobicContact CG-CZ 3.64Å
179T98.8Very high98Very high80 Ų8070.7 Ų70.749%0.49134%0.34SS..Hα-helixtrans-64.1-44.5177.5-59.90000111.2K175 E176 H181 K182 Y183K175-T179 WeakPolarHBondContact O-CB 3.4Å; K175-T179 PolarHBondContact O-N 2.92Å; K175-T179 PolarHBondContact O-OG1 2.69Å; E176-T179 PolarHBondContact O-N 2.87Å; T179-H181 VanDerWaalsContact C-N 3.26Å; T179-H181 PolarHBondContact O-N 3.39Å; T179-K182 PolarHBondContact O-N 2.87Å; T179-Y183 PolarHBondContact OG1-OH 2.93Å
180K98.8Very high98.4Very high166 Ų16666.2 Ų66.272%0.72233%0.325SS*.Hα-helixtrans-55.7-41.1175.7178-178.6174.8-176.10112E176 F177 K182E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 PolarHBondContact O-N 3.49Å; F177-K180 PolarHBondContact O-N 2.82Å; K180-K182 VanDerWaalsContact C-N 3.32Å
181H98.8Very high98.6Very high65 Ų6566.7 Ų66.730%0.30133%0.328SS..THydrogen-bonded Turntrans-92.815.9-179.9-62.888000113.5F177 F178 T179 Y183 F184F177-H181 AromaticContact CD2-CE1 3.65Å; F177-H181 AromaticContact CD2-ND1 3.87Å; F177-H181 AromaticContact CE2-CE1 3.25Å; F177-H181 WeakPolarHBondContact CE2-CE1 3.36Å; F177-H181 AromaticContact CE2-ND1 3.79Å; F177-H181 AromaticContact CZ-CE1 3.56Å; F177-H181 AromaticContact CZ-ND1 3.87Å; F177-H181 PolarHBondContact O-N 3.32Å; F177-H181 VanDerWaalsContact O-N 3.13Å; F177-H181 PolarHBondContact O-ND1 2.86Å; F178-H181 CarbonylContact O-C 3.5Å; F178-H181 PolarHBondContact O-N 2.84Å; T179-H181 VanDerWaalsContact C-N 3.26Å; T179-H181 PolarHBondContact O-N 3.39Å; H181-Y183 PolarHBondContact O-N 3.46Å; H181-Y183 VanDerWaalsContact O-N 3.13Å; H181-F184 HydrophobicContact CB-CD1 3.71Å; H181-F184 HydrophobicContact CB-CE1 3.28Å; H181-F184 HydrophobicContact CB-CE2 4.35Å; H181-F184 HydrophobicContact CB-CG 4.4Å; H181-F184 HydrophobicContact CB-CZ 3.63Å; H181-F184 AromaticContact CD2-CE1 3.96Å; H181-F184 AromaticContact CG-CE1 3.51Å; H181-F184 AromaticContact CG-CZ 3.88Å; H181-F184 PolarHBondContact O-N 3.13Å
182K98.8Very high98.7Very high174 Ų17467.8 Ų67.876%0.75733%0.333SS*.G310 helixtrans48.943.1179.3-57.7179-1791760112.3F178 T179 K180 F184 G185F178-K182 PolarHBondContact O-N 3.44Å; F178-K182 VanDerWaalsContact O-N 3.12Å; T179-K182 PolarHBondContact O-N 2.87Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K182-F184 PolarHBondContact O-N 3.03Å; K182-F184 VanDerWaalsContact O-N 3.11Å; K182-G185 PolarHBondContact O-N 3.39Å
183Y98.8Very high98.7Very high24 Ų2464 Ų649%0.09432%0.315CS..G310 helixtrans56.226179.7-61.1-101.5000113.5F178 T179 H181 G185 L186 K188 V191 F193F178-Y183 HydrophobicContact CB-CD1 4.31Å; F178-Y183 HydrophobicContact CB-CE1 4.32Å; F178-Y183 HydrophobicContact CD1-CD1 4.15Å; F178-Y183 PolarHBondContact O-N 3.32Å; T179-Y183 PolarHBondContact OG1-OH 2.93Å; H181-Y183 PolarHBondContact O-N 3.46Å; H181-Y183 VanDerWaalsContact O-N 3.13Å; Y183-G185 PolarHBondContact O-N 3.22Å; Y183-G185 VanDerWaalsContact O-N 3.11Å; Y183-L186 WeakPolarHBondContact CB-O 3.42Å; Y183-L186 WeakPolarHBondContact O-CB 3.4Å; Y183-L186 PolarHBondContact O-N 2.91Å; Y183-K188 HydrophobicContact CD1-CB 4.35Å; Y183-K188 HydrophobicContact CD2-CB 4.01Å; Y183-K188 HydrophobicContact CE1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CG 3.87Å; Y183-K188 HydrophobicContact CE2-CB 3.77Å; Y183-K188 HydrophobicContact CE2-CD 3.94Å; Y183-K188 HydrophobicContact CE2-CG 3.85Å; Y183-K188 HydrophobicContact CG-CB 4.34Å; Y183-K188 VanDerWaalsContact CZ-CG 3.46Å; Y183-K188 WeakPolarHBondContact OH-CD 3.31Å; Y183-K188 WeakPolarHBondContact OH-CE 3.41Å; Y183-V191 HydrophobicContact CD1-CB 3.85Å; Y183-V191 HydrophobicContact CD1-CG1 4.22Å; Y183-V191 HydrophobicContact CD1-CG2 3.96Å; Y183-V191 HydrophobicContact CE1-CB 4.19Å; Y183-V191 HydrophobicContact CE1-CG1 4.47Å; Y183-F193 HydrophobicContact CE1-CE2 4.1Å
184F98.8Very high98.8Very high22 Ų2262.1 Ų62.110%0.09630%0.302CS..G310 helixtrans5429.8179.5-50-77.1000113.5F136 Q137 A140 L144 F177 F178 H181 K182F136-F184 HydrophobicContact CB-CE2 4.16Å; F136-F184 HydrophobicContact CB-CZ 4.34Å; Q137-F184 HydrophobicContact CB-CD1 3.74Å; Q137-F184 HydrophobicContact CB-CE1 3.79Å; Q137-F184 HydrophobicContact CB-CG 4.42Å; Q137-F184 HydrophobicContact CG-CD1 3.73Å; Q137-F184 HydrophobicContact CG-CE1 4.22Å; Q137-F184 HydrophobicContact CG-CG 4.43Å; A140-F184 HydrophobicContact CB-CB 3.57Å; A140-F184 HydrophobicContact CB-CD2 4Å; A140-F184 HydrophobicContact CB-CG 4.03Å; L144-F184 WeakPolarHBondContact CD1-O 3.41Å; F177-F184 AromaticContact CD1-CZ 3.92Å; F177-F184 HydrophobicContact CD1-CZ 3.92Å; F177-F184 HydrophobicContact CE1-CE1 4.33Å; F177-F184 HydrophobicContact CE1-CE2 4.46Å; F177-F184 AromaticContact CE1-CZ 3.54Å; F177-F184 HydrophobicContact CE1-CZ 3.54Å; F177-F184 HydrophobicContact CZ-CZ 4.39Å; F178-F184 HydrophobicContact CD1-CD2 4.14Å; F178-F184 AromaticContact CD1-CE2 3.91Å; F178-F184 HydrophobicContact CD1-CE2 3.91Å; F178-F184 HydrophobicContact CD2-CE2 4.23Å; F178-F184 HydrophobicContact CE1-CD2 4.07Å; F178-F184 AromaticContact CE1-CE2 3.92Å; F178-F184 HydrophobicContact CE1-CE2 3.92Å; F178-F184 HydrophobicContact CE2-CE2 4.24Å; F178-F184 HydrophobicContact CG-CE2 4.08Å; F178-F184 HydrophobicContact CZ-CE2 4.08Å; H181-F184 HydrophobicContact CB-CD1 3.71Å; H181-F184 HydrophobicContact CB-CE1 3.28Å; H181-F184 HydrophobicContact CB-CE2 4.35Å; H181-F184 HydrophobicContact CB-CG 4.4Å; H181-F184 HydrophobicContact CB-CZ 3.63Å; H181-F184 AromaticContact CD2-CE1 3.96Å; H181-F184 AromaticContact CG-CE1 3.51Å; H181-F184 AromaticContact CG-CZ 3.88Å; H181-F184 PolarHBondContact O-N 3.13Å; K182-F184 PolarHBondContact O-N 3.03Å; K182-F184 VanDerWaalsContact O-N 3.11Å
185G98.5Very high98.7Very high61 Ų6165.3 Ų65.363%0.62932%0.317SS*.G310 helixtrans90.7-10.8-177.600000115.1K182 Y183K182-G185 PolarHBondContact O-N 3.39Å; Y183-G185 PolarHBondContact O-N 3.22Å; Y183-G185 VanDerWaalsContact O-N 3.11Å
186L98.8Very high98.7Very high18 Ų1861.6 Ų61.69%0.09430%0.301CS..SBendtrans-71.8160.7167.3-66.6166.9000110.7A140 I143 L144 W162 Y183 V191A140-L186 HydrophobicContact CB-CD1 4.1Å; I143-L186 HydrophobicContact CD1-CD1 4.37Å; I143-L186 HydrophobicContact CG2-CD1 4.45Å; I143-L186 HydrophobicContact CG2-CD2 3.92Å; L144-L186 HydrophobicContact CD2-CD2 3.62Å; L144-L186 HydrophobicContact CD2-CG 4.17Å; L144-L186 HydrophobicContact CG-CD2 3.81Å; L144-L186 HydrophobicContact CG-CG 4.09Å; W162-L186 HydrophobicContact CE3-CD1 3.72Å; W162-L186 HydrophobicContact CZ3-CD1 4.06Å; Y183-L186 WeakPolarHBondContact CB-O 3.42Å; Y183-L186 WeakPolarHBondContact O-CB 3.4Å; Y183-L186 PolarHBondContact O-N 2.91Å; L186-V191 HydrophobicContact CB-CG2 4.17Å; L186-V191 HydrophobicContact CD1-CG2 4.32Å
187K98.7Very high98.4Very high106 Ų10656.6 Ų56.646%0.46129%0.285SS..  trans-83.1134.1175-70-174.1163.7-152.10110.7E189 N190K187-E189 VanDerWaalsContact C-N 3.25Å; K187-E189 HydrophobicContact CB-CG 4.3Å; K187-E189 WeakPolarHBondContact CD-OE1 3.31Å; K187-E189 IonicContact NZ-OE1 3.65Å; K187-E189 PolarHBondContact O-N 3.42Å; K187-N190 PolarHBondContact O-N 2.92Å
188K98.8Very high98.2Very high137 Ų13757.3 Ų57.360%0.59629%0.29SS*.G310 helixtrans-52.9-42-179.8173.4173.2-178.8-173.60112.4Y183 N190 V191Y183-K188 HydrophobicContact CD1-CB 4.35Å; Y183-K188 HydrophobicContact CD2-CB 4.01Å; Y183-K188 HydrophobicContact CE1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CG 3.87Å; Y183-K188 HydrophobicContact CE2-CB 3.77Å; Y183-K188 HydrophobicContact CE2-CD 3.94Å; Y183-K188 HydrophobicContact CE2-CG 3.85Å; Y183-K188 HydrophobicContact CG-CB 4.34Å; Y183-K188 VanDerWaalsContact CZ-CG 3.46Å; Y183-K188 WeakPolarHBondContact OH-CD 3.31Å; Y183-K188 WeakPolarHBondContact OH-CE 3.41Å; K188-N190 PolarHBondContact O-N 3.06Å; K188-N190 VanDerWaalsContact O-N 3.14Å; K188-V191 PolarHBondContact O-N 2.56Å; K188-V191 VanDerWaalsContact O-N 3.16Å
189E98.7Very high98Very high111 Ų11158 Ų5852%0.51929%0.294SS..G310 helixtrans-65.7-11.7-179.462-94.7-145.900114.7K187 R242K187-E189 VanDerWaalsContact C-N 3.25Å; K187-E189 HydrophobicContact CB-CG 4.3Å; K187-E189 WeakPolarHBondContact CD-OE1 3.31Å; K187-E189 IonicContact NZ-OE1 3.65Å; K187-E189 PolarHBondContact O-N 3.42Å; E189-R242 PolarHBondContact O-NH2 3.32Å
190N98.8Very high97.9Very high20 Ų2054.4 Ų54.411%0.10727%0.272CS..G310 helixtrans-1108178.7-62-35000112.8I159 W162 K187 K188 R242I159-N190 HydrophobicContact CG2-CB 4Å; I159-N190 VanDerWaalsContact CG2-CG 3.5Å; I159-N190 WeakPolarHBondContact CG2-ND2 3.33Å; W162-N190 PolarHBondContact N-O 3.23Å; K187-N190 PolarHBondContact O-N 2.92Å; K188-N190 PolarHBondContact O-N 3.06Å; K188-N190 VanDerWaalsContact O-N 3.14Å; N190-R242 PolarHBondContact OD1-NH1 2.81Å
191V98.9Very high97.8Very high10 Ų1046.6 Ų46.66%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-118105.1172.2-176.20000108.5W162 I164 F178 Y183 L186 K188 F193W162-V191 HydrophobicContact CE3-CG2 4.43Å; W162-V191 CarbonylContact O-C 3.5Å; W162-V191 WeakPolarHBondContact O-CA 3.19Å; I164-V191 HydrophobicContact CD1-CG1 3.7Å; I164-V191 HydrophobicContact CG1-CG1 4.5Å; F178-V191 HydrophobicContact CD1-CG1 4.12Å; F178-V191 HydrophobicContact CE1-CG1 4.07Å; Y183-V191 HydrophobicContact CD1-CB 3.85Å; Y183-V191 HydrophobicContact CD1-CG1 4.22Å; Y183-V191 HydrophobicContact CD1-CG2 3.96Å; Y183-V191 HydrophobicContact CE1-CB 4.19Å; Y183-V191 HydrophobicContact CE1-CG1 4.47Å; L186-V191 HydrophobicContact CB-CG2 4.17Å; L186-V191 HydrophobicContact CD1-CG2 4.32Å; K188-V191 PolarHBondContact O-N 2.56Å; K188-V191 VanDerWaalsContact O-N 3.16Å; V191-F193 HydrophobicContact CG1-CE1 4.33Å; V191-F193 HydrophobicContact CG1-CE2 3.94Å; V191-F193 HydrophobicContact CG1-CZ 3.73Å
192I98.9Very high97.8Very high30 Ų3043.5 Ų43.515%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-107.6111.8-170.1-56.991000109.1P161 W162 Y163 I164 I235P161-I192 HydrophobicContact CB-CD1 4.3Å; W162-I192 PolarHBondContact O-N 3.25Å; Y163-I192 CarbonylContact C-O 3.45Å; Y163-I192 WeakPolarHBondContact CA-O 3.31Å; Y163-I192 HydrophobicContact CD1-CB 3.7Å; Y163-I192 HydrophobicContact CD1-CD1 4.12Å; Y163-I192 HydrophobicContact CD1-CG1 4.21Å; Y163-I192 HydrophobicContact CD1-CG2 3.97Å; Y163-I192 HydrophobicContact CE1-CB 4.01Å; Y163-I192 HydrophobicContact CE1-CD1 3.84Å; Y163-I192 HydrophobicContact CE1-CG1 4.03Å; Y163-I192 HydrophobicContact CE1-CG2 4.23Å; I164-I192 PolarHBondContact N-O 3.41Å; I192-I235 HydrophobicContact CG2-CD1 4.25Å
193F98.9Very high97.7Very high27 Ų2736.1 Ų36.112%0.11819%0.194CC..EExtended strand (participates in β ladder)trans-90.4131.8174.6-59.6-78.7000110.7I164 T166 M171 T174 K175 F178 Y183 V191I164-F193 HydrophobicContact CB-CD1 3.8Å; I164-F193 HydrophobicContact CB-CE1 4.01Å; I164-F193 HydrophobicContact CD1-CD1 4.26Å; I164-F193 HydrophobicContact CD1-CE1 3.58Å; I164-F193 HydrophobicContact CD1-CZ 4.17Å; I164-F193 HydrophobicContact CG1-CE1 4.33Å; I164-F193 HydrophobicContact CG2-CD1 4Å; I164-F193 HydrophobicContact CG2-CE1 4.1Å; T166-F193 HydrophobicContact CG2-CD1 4.46Å; M171-F193 HydrophobicContact CE-CB 4.42Å; M171-F193 HydrophobicContact SD-CB 4.07Å; T174-F193 HydrophobicContact CG2-CD1 4.09Å; T174-F193 HydrophobicContact CG2-CE1 3.58Å; T174-F193 HydrophobicContact CG2-CZ 4.49Å; K175-F193 HydrophobicContact CG-CB 4.35Å; K175-F193 HydrophobicContact CG-CD1 4.42Å; K175-F193 HydrophobicContact CG-CD2 3.78Å; K175-F193 HydrophobicContact CG-CE2 4.15Å; K175-F193 HydrophobicContact CG-CG 3.92Å; F178-F193 HydrophobicContact CB-CZ 3.85Å; F178-F193 AromaticContact CD1-CZ 3.92Å; F178-F193 HydrophobicContact CD1-CZ 3.92Å; F178-F193 HydrophobicContact CD2-CE1 4.16Å; F178-F193 AromaticContact CD2-CZ 3.94Å; F178-F193 HydrophobicContact CD2-CZ 3.94Å; F178-F193 HydrophobicContact CE1-CZ 4.43Å; F178-F193 HydrophobicContact CE2-CE1 4.34Å; F178-F193 HydrophobicContact CE2-CZ 4.45Å; F178-F193 HydrophobicContact CG-CE1 4.3Å; F178-F193 AromaticContact CG-CZ 3.64Å; F178-F193 HydrophobicContact CG-CZ 3.64Å; Y183-F193 HydrophobicContact CE1-CE2 4.1Å; V191-F193 HydrophobicContact CG1-CE1 4.33Å; V191-F193 HydrophobicContact CG1-CE2 3.94Å; V191-F193 HydrophobicContact CG1-CZ 3.73Å
194F98.8Very high97.5Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-140.8150.1175.175.5-80.9000109.1L106 I164 M165 T166 L226 A229 L230 Q233 I235L106-F194 HydrophobicContact CD1-CE1 4.35Å; L106-F194 HydrophobicContact CD1-CZ 4.02Å; L106-F194 HydrophobicContact CD2-CZ 4.38Å; L106-F194 HydrophobicContact CG-CE1 4.38Å; L106-F194 HydrophobicContact CG-CZ 4.29Å; I164-F194 PolarHBondContact O-N 2.91Å; I164-F194 VanDerWaalsContact O-N 3.1Å; M165-F194 CarbonylContact C-O 3.53Å; M165-F194 WeakPolarHBondContact CA-O 3.41Å; M165-F194 HydrophobicContact CB-CE1 3.8Å; M165-F194 HydrophobicContact CB-CE2 3.88Å; M165-F194 HydrophobicContact CB-CZ 3.45Å; M165-F194 VanDerWaalsContact CB-CZ 3.45Å; M165-F194 HydrophobicContact CG-CD2 4.29Å; M165-F194 HydrophobicContact CG-CE1 4.48Å; M165-F194 HydrophobicContact CG-CE2 3.68Å; M165-F194 HydrophobicContact CG-CZ 3.8Å; M165-F194 HydrophobicContact SD-CE2 4.06Å; M165-F194 HydrophobicContact SD-CZ 4.27Å; T166-F194 PolarHBondContact N-O 2.95Å; T166-F194 PolarHBondContact OG1-O 3.28Å; F194-L226 HydrophobicContact CE2-CD1 3.96Å; F194-L226 HydrophobicContact CZ-CD1 3.73Å; F194-A229 HydrophobicContact CD2-CB 3.95Å; F194-A229 HydrophobicContact CE2-CB 3.86Å; F194-L230 HydrophobicContact CE2-CD2 4.09Å; F194-L230 HydrophobicContact CZ-CD2 4.06Å; F194-Q233 HydrophobicContact CB-CB 4.48Å; F194-Q233 VanDerWaalsContact CB-OE1 3.26Å; F194-I235 HydrophobicContact CB-CD1 3.73Å; F194-I235 HydrophobicContact CB-CG1 4.13Å; F194-I235 HydrophobicContact CD1-CD1 4.29Å; F194-I235 HydrophobicContact CD1-CG1 4.41Å; F194-I235 HydrophobicContact CD2-CG1 4.04Å; F194-I235 HydrophobicContact CG-CD1 3.96Å; F194-I235 HydrophobicContact CG-CG1 3.95Å
195Q98.2Very high97.3Very high68 Ų6843.9 Ų43.932%0.31823%0.234SC..EExtended strand (participates in β ladder)trans-107.7132.7-171.1-156.2177.7-74.100110.3M171 Q233M171-Q195 HydrophobicContact CE-CB 3.58Å; M171-Q195 HydrophobicContact CE-CG 4.12Å; Q195-Q233 PolarHBondContact O-OE1 2.94Å; Q195-Q233 VanDerWaalsContact O-OE1 3.12Å
196Q96.9Very high97.2Very high9 Ų941.4 Ų41.44%0.04221%0.208CC..  trans-75.1166.9168.883.6-153-99.900112.5M165 T166 P220 G222 A229M165-Q196 HydrophobicContact CE-CB 4.44Å; M165-Q196 HydrophobicContact CG-CB 4.06Å; M165-Q196 HydrophobicContact SD-CB 3.91Å; T166-Q196 PolarHBondContact O-N 3.44Å; T166-Q196 PolarHBondContact O-NE2 3.21Å; Q196-P220 HydrophobicContact CG-CB 4.45Å; Q196-G222 PolarHBondContact OE1-O 2.91Å; Q196-A229 HydrophobicContact CB-CB 4.18Å
197G94.4Very high97.1Very high29 Ų2944.3 Ų44.330%0.29922%0.22SC..  trans-65.9175.4173.100000112.8D221G197-D221 WeakPolarHBondContact CA-OD2 3.4Å
198M93.7Very high97.1Very high46 Ų4639.3 Ų39.323%0.22720%0.198CC..EExtended strand (participates in β ladder)trans-136142.5173.4-60.2-76.2-68.200107.7R169 M218 A219 P220R169-M198 HydrophobicContact CG-CE 4.47Å; M198-M218 HydrophobicContact CB-CE 3.53Å; M198-M218 HydrophobicContact CE-CB 3.91Å; M198-A219 CarbonylContact C-O 3.57Å; M198-A219 VanDerWaalsContact CA-O 3.29Å; M198-A219 WeakPolarHBondContact CA-O 3.5Å; M198-A219 VanDerWaalsContact CE-C 3.41Å; M198-P220 HydrophobicContact CE-CG 4.46Å; M198-P220 HydrophobicContact SD-CB 4.25Å; M198-P220 HydrophobicContact SD-CG 4.01Å
199L95.3Very high97.1Very high16 Ų1633.5 Ų33.58%0.08417%0.173CC..EExtended strand (participates in β ladder)trans-115.5143.3172.6-74.9172.3000110.4L45 F48 A219 D221 M378L45-L199 HydrophobicContact CD2-CD2 3.49Å; L45-L199 VanDerWaalsContact CD2-CD2 3.49Å; F48-L199 HydrophobicContact CD2-CD2 4.19Å; F48-L199 HydrophobicContact CE2-CD2 4.38Å; L199-A219 PolarHBondContact N-O 2.95Å; L199-A219 PolarHBondContact O-N 3.43Å; L199-D221 HydrophobicContact CB-CB 4.45Å; L199-D221 HydrophobicContact CD1-CB 3.79Å; L199-D221 HydrophobicContact CG-CB 3.79Å; L199-M378 HydrophobicContact CD1-CB 4.14Å
200P96.8Very high97.1Very high4 Ų428.8 Ų28.83%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-69145.2172.627.6-31.4000110.8L45 I208 V216 S217 M218L45-P200 HydrophobicContact CD1-CG 3.77Å; L45-P200 HydrophobicContact CD2-CG 3.79Å; L45-P200 HydrophobicContact CG-CG 4.38Å; P200-I208 HydrophobicContact CB-CD1 4.49Å; P200-I208 HydrophobicContact CB-CG1 4.15Å; P200-I208 HydrophobicContact CB-CG2 3.79Å; P200-I208 HydrophobicContact CG-CD1 4.13Å; P200-I208 HydrophobicContact CG-CG1 4.06Å; P200-V216 HydrophobicContact CB-CG1 3.88Å; P200-S217 WeakPolarHBondContact CA-O 3Å; P200-M218 VanDerWaalsContact CA-SD 3.54Å; P200-M218 HydrophobicContact CB-SD 3.8Å
201A96.5Very high97Very high1 Ų130.9 Ų30.91%0.00816%0.161CC..  trans-69.9139.1164.100000109.3I209 S217 I358A201-I209 HydrophobicContact CB-CD1 4.45Å; A201-I209 PolarHBondContact O-N 3.37Å; A201-S217 PolarHBondContact N-O 3.24Å; A201-I358 HydrophobicContact CB-CD1 3.84Å; A201-I358 HydrophobicContact CB-CG1 4.25Å; A201-I358 HydrophobicContact CB-CG2 3.96Å
202M97.6Very high96.9Very high1 Ų134.9 Ų34.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-125.2140.1-177.1-61.4-177.974.200110.1F49 G206 K207 I208 G375 I376 M378F49-M202 HydrophobicContact CB-CE 3.72Å; F49-M202 HydrophobicContact CB-SD 3.81Å; F49-M202 HydrophobicContact CD2-CB 3.85Å; F49-M202 HydrophobicContact CD2-CE 3.75Å; F49-M202 HydrophobicContact CD2-CG 4.39Å; F49-M202 HydrophobicContact CD2-SD 3.69Å; F49-M202 HydrophobicContact CE2-CB 3.98Å; F49-M202 HydrophobicContact CG-CE 3.74Å; F49-M202 HydrophobicContact CG-SD 4.05Å; M202-G206 WeakPolarHBondContact CE-O 3.46Å; M202-K207 CarbonylContact C-O 3.57Å; M202-K207 VanDerWaalsContact CA-O 3.26Å; M202-K207 WeakPolarHBondContact CA-O 3.08Å; M202-I208 HydrophobicContact CE-CG1 4.37Å; M202-I208 HydrophobicContact CG-CG1 4.27Å; M202-G375 CarbonylContact O-C 3.52Å; M202-G375 WeakPolarHBondContact O-CA 3.39Å; M202-I376 HydrophobicContact CB-CG1 4.39Å; M202-I376 PolarHBondContact N-O 3.29Å; M202-I376 PolarHBondContact O-N 2.99Å; M202-M378 HydrophobicContact SD-CE 3.75Å
203S96.6Very high96.9Very high19 Ų1936.5 Ų36.513%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-69.3167.3171.254.20000110.9F49 D205 G206 K207F49-S203 VanDerWaalsContact CE2-O 3.3Å; F49-S203 WeakPolarHBondContact CE2-O 3.43Å; F49-S203 WeakPolarHBondContact CZ-O 3.24Å; S203-D205 WeakPolarHBondContact CB-OD1 3.43Å; S203-D205 PolarHBondContact O-N 3.36Å; S203-D205 PolarHBondContact OG-OD1 3.11Å; S203-G206 PolarHBondContact O-N 2.84Å; S203-K207 PolarHBondContact N-O 2.92Å; S203-K207 VanDerWaalsContact OG-CB 3.31Å; S203-K207 WeakPolarHBondContact OG-CB 3.35Å; S203-K207 PolarHBondContact OG-N 2.93Å; S203-K207 VanDerWaalsContact OG-N 3.15Å; S203-K207 PolarHBondContact OG-O 3.43Å; S203-K207 VanDerWaalsContact OG-O 3.06Å
204F95.3Very high96.8Very high94 Ų9435.7 Ų35.741%0.41218%0.182SC..THydrogen-bonded Turntrans-64.6-19.2-177.7-59.6-61000114.4Q355 P373 I376F204-Q355 HydrophobicContact CE1-CG 4.1Å; F204-P373 WeakPolarHBondContact CE2-O 3.35Å; F204-P373 HydrophobicContact CZ-CB 4.23Å; F204-I376 HydrophobicContact CD1-CG2 3.93Å; F204-I376 HydrophobicContact CE1-CG2 3.73Å
205D94.7Very high96.7Very high115 Ų11538.5 Ų38.562%0.61519%0.194SC*.THydrogen-bonded Turntrans-93.37.6174.565.5-26.3000113.2S203S203-D205 WeakPolarHBondContact CB-OD1 3.43Å; S203-D205 PolarHBondContact O-N 3.36Å; S203-D205 PolarHBondContact OG-OD1 3.11Å
206G95.8Very high96.7Very high9 Ų935.3 Ų35.39%0.09318%0.179CC..SBendtrans84.817.1173.100000115.2Q15 M202 S203Q15-G206 PolarHBondContact NE2-O 3.04Å; M202-G206 WeakPolarHBondContact CE-O 3.46Å; S203-G206 PolarHBondContact O-N 2.84Å
207K98Very high96.7Very high78 Ų7835.3 Ų35.334%0.33918%0.18SC..PPolyproline II helixtrans-89.4134.4174.6-56.2-62.9-176.8172.70110.6G14 M202 S203G14-K207 PolarHBondContact O-NZ 3.27Å; M202-K207 CarbonylContact C-O 3.57Å; M202-K207 VanDerWaalsContact CA-O 3.26Å; M202-K207 WeakPolarHBondContact CA-O 3.08Å; S203-K207 PolarHBondContact N-O 2.92Å; S203-K207 VanDerWaalsContact OG-CB 3.31Å; S203-K207 WeakPolarHBondContact OG-CB 3.35Å; S203-K207 PolarHBondContact OG-N 2.93Å; S203-K207 VanDerWaalsContact OG-N 3.15Å; S203-K207 PolarHBondContact OG-O 3.43Å; S203-K207 VanDerWaalsContact OG-O 3.06Å
208I98.4Very high96.7Very high2 Ų235.2 Ų35.21%0.0117%0.172CC..BIsolated β-bridgetrans-64.4135.3170.8-69.3168.7000109.1Q15 H17 L18 F42 L45 P200 M202 V216Q15-I208 HydrophobicContact CG-CD1 4.18Å; H17-I208 PolarHBondContact NE2-O 3.03Å; L18-I208 HydrophobicContact CD1-CB 4.07Å; L18-I208 HydrophobicContact CD1-CD1 4.11Å; L18-I208 HydrophobicContact CD1-CG2 4.04Å; L18-I208 HydrophobicContact CD2-CB 3.96Å; L18-I208 HydrophobicContact CD2-CG2 3.75Å; L18-I208 HydrophobicContact CG-CB 4.49Å; F42-I208 HydrophobicContact CD1-CD1 3.77Å; F42-I208 HydrophobicContact CE1-CD1 3.77Å; L45-I208 HydrophobicContact CD1-CD1 4.01Å; P200-I208 HydrophobicContact CB-CD1 4.49Å; P200-I208 HydrophobicContact CB-CG1 4.15Å; P200-I208 HydrophobicContact CB-CG2 3.79Å; P200-I208 HydrophobicContact CG-CD1 4.13Å; P200-I208 HydrophobicContact CG-CG1 4.06Å; M202-I208 HydrophobicContact CE-CG1 4.37Å; M202-I208 HydrophobicContact CG-CG1 4.27Å; I208-V216 HydrophobicContact CG2-CG1 3.47Å; I208-V216 VanDerWaalsContact CG2-CG1 3.47Å
209I98.4Very high96.5Very high14 Ų1433.4 Ų33.47%0.07217%0.165CC..PPolyproline II helixtrans-92.2130.2-177.2-63.9170.3000110A201 S217 I358 Y360A201-I209 HydrophobicContact CB-CD1 4.45Å; A201-I209 PolarHBondContact O-N 3.37Å; I209-S217 WeakPolarHBondContact O-CB 3.43Å; I209-S217 PolarHBondContact O-N 2.97Å; I209-I358 HydrophobicContact CD1-CB 4.37Å; I209-I358 HydrophobicContact CD1-CD1 3.9Å; I209-I358 HydrophobicContact CD1-CG2 4.26Å; I209-I358 HydrophobicContact CG2-CG2 4.05Å; I209-Y360 VanDerWaalsContact CG2-CB 3.49Å; I209-Y360 HydrophobicContact CG2-CG 4.5Å
210L98.3Very high96.3Very high13 Ų1334 Ų347%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-83.5129.3168.3-73.1176.1000110.4L18 F21 K215 V216 Y360 V361L18-L210 HydrophobicContact CD2-CD2 3.92Å; L18-L210 HydrophobicContact CD2-CG 3.88Å; F21-L210 HydrophobicContact CD2-CD1 4.32Å; L210-K215 CarbonylContact C-O 3.56Å; L210-K215 WeakPolarHBondContact CA-O 3.28Å; L210-K215 WeakPolarHBondContact CD2-O 3.29Å; L210-V216 HydrophobicContact CD2-CG2 4.07Å; L210-Y360 WeakPolarHBondContact O-CA 3.3Å; L210-Y360 VanDerWaalsContact O-CB 3.31Å; L210-Y360 WeakPolarHBondContact O-CB 3.44Å; L210-V361 HydrophobicContact CB-CG1 3.61Å; L210-V361 HydrophobicContact CD1-CG1 4.44Å; L210-V361 PolarHBondContact O-N 2.95Å; L210-V361 VanDerWaalsContact O-N 3.07Å
211E96.8Very high96.2Very high63 Ų6334.5 Ų34.529%0.29417%0.172SC..EExtended strand (participates in β ladder)trans-77.5-42.6171.4-179.1167.5-167.100110.5R169 K215 L367R169-E211 IonicContact NH2-OE2 3.89Å; E211-K215 PolarHBondContact N-O 2.66Å; E211-L367 VanDerWaalsContact O-CD2 3.31Å; E211-L367 WeakPolarHBondContact O-CD2 3.48Å
212E97.3Very high96Very high95 Ų9534.6 Ų34.644%0.44417%0.173SC..EExtended strand (participates in β ladder)trans-135.1170.3173.7-55.2-172.317600109.8N214 K215 L367E212-N214 PolarHBondContact O-N 3.37Å; E212-K215 HydrophobicContact CB-CB 3.9Å; E212-K215 HydrophobicContact CG-CB 4.38Å; E212-K215 PolarHBondContact N-O 3.31Å; E212-K215 PolarHBondContact O-N 2.91Å; E212-L367 HydrophobicContact CG-CD2 4.46Å
213K97.9Very high95.9Very high63 Ų6337 Ų3727%0.27419%0.186SC..THydrogen-bonded Turntrans-55.2-31.5-177.6-66.6-172.2176.1-171.60113.3F21 E24 L25 V361 G365F21-K213 HydrophobicContact CB-CB 3.83Å; F21-K213 HydrophobicContact CB-CD 4.19Å; F21-K213 HydrophobicContact CB-CG 4.12Å; F21-K213 HydrophobicContact CD1-CD 3.89Å; F21-K213 HydrophobicContact CD1-CG 4.08Å; F21-K213 HydrophobicContact CD2-CB 4.07Å; F21-K213 HydrophobicContact CD2-CG 3.91Å; F21-K213 HydrophobicContact CE1-CD 4.48Å; F21-K213 HydrophobicContact CE2-CG 4.38Å; F21-K213 HydrophobicContact CG-CB 3.95Å; F21-K213 HydrophobicContact CG-CD 3.97Å; F21-K213 HydrophobicContact CG-CG 3.75Å; E24-K213 IonicContact OE2-NZ 2.68Å; E24-K213 PolarHBondContact OE2-NZ 2.99Å; L25-K213 HydrophobicContact CD2-CB 3.73Å; K213-V361 HydrophobicContact CG-CG2 4Å; K213-G365 VanDerWaalsContact CE-CA 3.44Å
214N97.5Very high95.9Very high11 Ų1136.1 Ų36.16%0.05918%0.18CC..THydrogen-bonded Turntrans-11214.3178.968.7-62.8000113.8L25 Q29 E32 L33 E212L25-N214 HydrophobicContact CD1-CB 3.73Å; L25-N214 HydrophobicContact CD2-CB 3.83Å; L25-N214 HydrophobicContact CG-CB 4.39Å; Q29-N214 HydrophobicContact CB-CB 3.81Å; Q29-N214 HydrophobicContact CG-CB 4.39Å; E32-N214 PolarHBondContact OE2-ND2 3.49Å; L33-N214 HydrophobicContact CB-CB 4.33Å; L33-N214 WeakPolarHBondContact CB-O 3.42Å; E212-N214 PolarHBondContact O-N 3.37Å
215K97.1Very high96Very high59 Ų5931.7 Ų31.726%0.25716%0.161SC..EExtended strand (participates in β ladder)trans-139.2125.4-171.4-164.963.7176.8165.20113.6E32 E36 L210 E211 E212E32-K215 IonicContact OE1-NZ 3.29Å; E32-K215 PolarHBondContact OE1-NZ 3.48Å; E36-K215 WeakPolarHBondContact OE1-CE 3.33Å; E36-K215 IonicContact OE1-NZ 2.88Å; E36-K215 PolarHBondContact OE1-NZ 3.5Å; E36-K215 IonicContact OE2-NZ 3.79Å; L210-K215 CarbonylContact C-O 3.56Å; L210-K215 WeakPolarHBondContact CA-O 3.28Å; L210-K215 WeakPolarHBondContact CD2-O 3.29Å; E211-K215 PolarHBondContact N-O 2.66Å; E212-K215 HydrophobicContact CB-CB 3.9Å; E212-K215 HydrophobicContact CG-CB 4.38Å; E212-K215 PolarHBondContact N-O 3.31Å; E212-K215 PolarHBondContact O-N 2.91Å
216V97.6Very high96.2Very high0 Ų026.2 Ų26.20%013%0.131CC..EExtended strand (participates in β ladder)trans-76.3138.5173.2-178.40000110.5L33 E36 L37 M40 P200 I208 L210 M218L33-V216 HydrophobicContact CD1-CG2 4.47Å; E36-V216 HydrophobicContact CG-CG2 4.49Å; E36-V216 WeakPolarHBondContact OE2-CB 3.48Å; E36-V216 PolarHBondContact OE2-N 2.95Å; L37-V216 HydrophobicContact CD2-CG2 3.78Å; M40-V216 HydrophobicContact CE-CB 4.05Å; M40-V216 HydrophobicContact CE-CG1 3.94Å; M40-V216 HydrophobicContact CE-CG2 4.14Å; P200-V216 HydrophobicContact CB-CG1 3.88Å; I208-V216 HydrophobicContact CG2-CG1 3.47Å; I208-V216 VanDerWaalsContact CG2-CG1 3.47Å; L210-V216 HydrophobicContact CD2-CG2 4.07Å; V216-M218 HydrophobicContact CB-CG 4.32Å; V216-M218 HydrophobicContact CB-SD 4.37Å; V216-M218 HydrophobicContact CG1-CG 4.24Å; V216-M218 HydrophobicContact CG1-SD 3.8Å; V216-M218 PolarHBondContact O-N 3.37Å
217S96.4Very high96.3Very high9 Ų925.8 Ų25.86%0.06313%0.127CC..  trans-7397.7174.2-166.10000110.5P200 A201 I209 I358P200-S217 WeakPolarHBondContact CA-O 3Å; A201-S217 PolarHBondContact N-O 3.24Å; I209-S217 WeakPolarHBondContact O-CB 3.43Å; I209-S217 PolarHBondContact O-N 2.97Å; S217-I358 WeakPolarHBondContact OG-CG2 3.5Å
218M94.2Very high96.3Very high28 Ų2825.8 Ų25.814%0.13813%0.125CC..EExtended strand (participates in β ladder)trans-103.3141.4-176.5-64.1-63.4-76.500112.5M40 R169 M198 P200 V216M40-M218 HydrophobicContact CE-CE 3.71Å; M40-M218 HydrophobicContact CE-CG 4.34Å; M40-M218 HydrophobicContact CE-SD 3.31Å; M40-M218 WeakPolarHBondContact CE-SD 3.45Å; R169-M218 PolarHBondContact NH2-O 3.08Å; M198-M218 HydrophobicContact CB-CE 3.53Å; M198-M218 HydrophobicContact CE-CB 3.91Å; P200-M218 VanDerWaalsContact CA-SD 3.54Å; P200-M218 HydrophobicContact CB-SD 3.8Å; V216-M218 HydrophobicContact CB-CG 4.32Å; V216-M218 HydrophobicContact CB-SD 4.37Å; V216-M218 HydrophobicContact CG1-CG 4.24Å; V216-M218 HydrophobicContact CG1-SD 3.8Å; V216-M218 PolarHBondContact O-N 3.37Å
219A90.2Very high96.3Very high8 Ų825.8 Ų25.87%0.06613%0.125CC..EExtended strand (participates in β ladder)trans-130.7155.5170.800000111.1M198 L199 K377M198-A219 CarbonylContact C-O 3.57Å; M198-A219 VanDerWaalsContact CA-O 3.29Å; M198-A219 WeakPolarHBondContact CA-O 3.5Å; M198-A219 VanDerWaalsContact CE-C 3.41Å; L199-A219 PolarHBondContact N-O 2.95Å; L199-A219 PolarHBondContact O-N 3.43Å; A219-K377 HydrophobicContact CB-CD 3.89Å
220P91.9Very high96.3Very high28 Ų2825.1 Ų25.118%0.18212%0.122CC..EExtended strand (participates in β ladder)trans-54.8145.4169.9-22.733.8000110.8Q196 M198 G222Q196-P220 HydrophobicContact CG-CB 4.45Å; M198-P220 HydrophobicContact CE-CG 4.46Å; M198-P220 HydrophobicContact SD-CB 4.25Å; M198-P220 HydrophobicContact SD-CG 4.01Å; P220-G222 PolarHBondContact O-N 3.45Å; P220-G222 VanDerWaalsContact O-N 3.09Å
221D93.1Very high96.3Very high14 Ų1426.5 Ų26.58%0.07514%0.135CC..  trans-81.223-174.260.5-11.6000114.3G197 L199 G225 E379 K380G197-D221 WeakPolarHBondContact CA-OD2 3.4Å; L199-D221 HydrophobicContact CB-CB 4.45Å; L199-D221 HydrophobicContact CD1-CB 3.79Å; L199-D221 HydrophobicContact CG-CB 3.79Å; D221-G225 WeakPolarHBondContact OD1-CA 3.29Å; D221-E379 WeakPolarHBondContact O-CA 3.07Å; D221-K380 PolarHBondContact O-N 3.33Å
222G93.3Very high96.3Very high4 Ų427.4 Ų27.44%0.04115%0.153CC..  trans84.3164.5-175.300000113.1Q196 P220 G224 G225 K380Q196-G222 PolarHBondContact OE1-O 2.91Å; P220-G222 PolarHBondContact O-N 3.45Å; P220-G222 VanDerWaalsContact O-N 3.09Å; G222-G224 PolarHBondContact O-N 3.43Å; G222-G225 PolarHBondContact O-N 2.76Å; G222-K380 CarbonylContact C-O 3.58Å; G222-K380 WeakPolarHBondContact CA-O 3.5Å
223N95.4Very high96.4Very high51 Ų5126.6 Ų26.627%0.27315%0.15SC..G310 helixtrans-68.1-18.4179.260.912000113.3L108 G225 L226 K380 F381 V382L108-N223 HydrophobicContact CD1-CB 4.22Å; N223-G225 VanDerWaalsContact C-N 3.25Å; N223-L226 WeakPolarHBondContact O-CB 3.27Å; N223-L226 PolarHBondContact O-N 2.83Å; N223-K380 PolarHBondContact N-O 2.83Å; N223-K380 PolarHBondContact OD1-O 3.16Å; N223-F381 VanDerWaalsContact OD1-CA 3.32Å; N223-F381 WeakPolarHBondContact OD1-CA 3.44Å; N223-V382 HydrophobicContact CB-CB 4.34Å; N223-V382 PolarHBondContact OD1-N 3.47Å
224G96.6Very high96.4Very high0 Ų028.3 Ų28.30%016%0.162CC..G310 helixtrans-74-11.9168.700000113.9G222 L226 Y227 K380G222-G224 PolarHBondContact O-N 3.43Å; G224-L226 PolarHBondContact O-N 2.93Å; G224-L226 VanDerWaalsContact O-N 3.1Å; G224-Y227 WeakPolarHBondContact O-CD2 3.38Å; G224-Y227 PolarHBondContact O-N 2.81Å; G224-K380 WeakPolarHBondContact CA-O 3.39Å; G224-K380 PolarHBondContact N-O 3.25Å
225G96.7Very high96.4Very high1 Ų128.1 Ų28.11%0.0116%0.161CC..G310 helixtrans-60.2-12.8165.500000113.4D221 G222 N223 Y227 R228 A229D221-G225 WeakPolarHBondContact OD1-CA 3.29Å; G222-G225 PolarHBondContact O-N 2.76Å; N223-G225 VanDerWaalsContact C-N 3.25Å; G225-Y227 PolarHBondContact O-N 3.41Å; G225-R228 PolarHBondContact O-N 3.33Å; G225-A229 WeakPolarHBondContact O-CB 3.46Å; G225-A229 PolarHBondContact O-N 2.82Å; G225-A229 VanDerWaalsContact O-N 3.08Å
226L98.4Very high96.5Very high0 Ų025.4 Ų25.40%015%0.149CC..Hα-helixtrans-41.3-50.5168.2173.361.5000112.6L106 L108 M165 F194 N223 G224 R228 A229 L230 V382L106-L226 HydrophobicContact CD1-CD1 3.82Å; L106-L226 HydrophobicContact CD2-CD1 3.66Å; L106-L226 HydrophobicContact CD2-CD2 4.15Å; L106-L226 HydrophobicContact CG-CD1 4.38Å; L108-L226 HydrophobicContact CD2-CD2 4.28Å; M165-L226 HydrophobicContact CE-CB 4.33Å; M165-L226 WeakPolarHBondContact SD-CA 3.25Å; M165-L226 HydrophobicContact SD-CB 3.81Å; M165-L226 HydrophobicContact SD-CD1 3.68Å; M165-L226 HydrophobicContact SD-CG 4.39Å; F194-L226 HydrophobicContact CE2-CD1 3.96Å; F194-L226 HydrophobicContact CZ-CD1 3.73Å; N223-L226 WeakPolarHBondContact O-CB 3.27Å; N223-L226 PolarHBondContact O-N 2.83Å; G224-L226 PolarHBondContact O-N 2.93Å; G224-L226 VanDerWaalsContact O-N 3.1Å; L226-R228 PolarHBondContact O-N 3.38Å; L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 2.81Å; L226-A229 VanDerWaalsContact O-N 3.11Å; L226-L230 HydrophobicContact CD1-CD1 4.08Å; L226-L230 HydrophobicContact CD1-CD2 4.02Å; L226-L230 HydrophobicContact CD1-CG 3.83Å; L226-L230 HydrophobicContact CG-CD1 4.03Å; L226-L230 HydrophobicContact CG-CG 4.2Å; L226-L230 VanDerWaalsContact O-CG 3.29Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.72Å; L226-V382 HydrophobicContact CD2-CG2 3.9Å
227Y98.6Very high96.6Very high0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-68.6-39-168.7-52.6-59.3000112.7G224 G225 L230 A231 L338 V341 L349 V382 I385G224-Y227 WeakPolarHBondContact O-CD2 3.38Å; G224-Y227 PolarHBondContact O-N 2.81Å; G225-Y227 PolarHBondContact O-N 3.41Å; Y227-L230 HydrophobicContact CD1-CD1 4.37Å; Y227-L230 PolarHBondContact O-N 3.47Å; Y227-A231 PolarHBondContact O-N 3.45Å; Y227-L338 HydrophobicContact CD1-CD2 4.49Å; Y227-L338 HydrophobicContact CE1-CD2 4.07Å; Y227-V341 HydrophobicContact CD1-CG1 3.43Å; Y227-V341 VanDerWaalsContact CD1-CG1 3.43Å; Y227-V341 HydrophobicContact CD2-CG1 4.22Å; Y227-V341 HydrophobicContact CE1-CG1 3.87Å; Y227-V341 HydrophobicContact CG-CG1 3.64Å; Y227-L349 HydrophobicContact CD2-CD1 3.42Å; Y227-L349 VanDerWaalsContact CD2-CD1 3.42Å; Y227-L349 HydrophobicContact CE2-CD1 3.8Å; Y227-L349 HydrophobicContact CG-CD1 4.46Å; Y227-V382 VanDerWaalsContact OH-CG2 3.3Å; Y227-V382 WeakPolarHBondContact OH-CG2 3.44Å; Y227-V382 PolarHBondContact OH-O 2.94Å; Y227-I385 HydrophobicContact CD2-CG2 4.06Å; Y227-I385 HydrophobicContact CE1-CD1 3.68Å; Y227-I385 HydrophobicContact CE1-CG2 4.28Å; Y227-I385 HydrophobicContact CE2-CG2 3.46Å; Y227-I385 VanDerWaalsContact CE2-CG2 3.46Å; Y227-I385 WeakPolarHBondContact OH-CD1 3.49Å; Y227-I385 VanDerWaalsContact OH-CG1 3.31Å; Y227-I385 WeakPolarHBondContact OH-CG1 3.36Å
228R97.6Very high96.7Very high78 Ų7830.5 Ų30.529%0.29417%0.173SC..Hα-helixtrans-66.7-38.9171.1-69.6-171.5170.2-157.9-9.8111.8E44 G225 L226 L230 A231 A232 E346E44-R228 IonicContact OE1-CZ 3.84Å; E44-R228 VanDerWaalsContact OE1-CZ 3.3Å; E44-R228 IonicContact OE1-NH1 3.02Å; E44-R228 PolarHBondContact OE1-NH1 3.15Å; E44-R228 IonicContact OE1-NH2 3.75Å; E44-R228 PolarHBondContact OE1-NH2 2.88Å; E44-R228 IonicContact OE2-NH1 3.59Å; G225-R228 PolarHBondContact O-N 3.33Å; L226-R228 PolarHBondContact O-N 3.38Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.47Å; R228-A231 PolarHBondContact O-N 3.08Å; R228-A232 WeakPolarHBondContact O-CB 3.48Å; R228-A232 PolarHBondContact O-N 3.26Å; R228-E346 WeakPolarHBondContact CD-OE1 3.39Å; R228-E346 HydrophobicContact CG-CG 3.81Å; R228-E346 WeakPolarHBondContact CG-OE1 3.23Å; R228-E346 IonicContact CZ-OE1 3.05Å; R228-E346 IonicContact CZ-OE2 2.56Å; R228-E346 IonicContact NE-OE1 2.69Å; R228-E346 PolarHBondContact NE-OE1 3.02Å; R228-E346 IonicContact NE-OE2 3.25Å; R228-E346 PolarHBondContact NE-OE2 3.35Å; R228-E346 IonicContact NH2-OE2 3.88Å
229A98.2Very high96.9Very high3 Ų329.1 Ų29.13%0.02517%0.166CC..Hα-helixtrans-63.2-40.2178.100000112.2F194 Q196 G225 L226 A231 A232 Q233F194-A229 HydrophobicContact CD2-CB 3.95Å; F194-A229 HydrophobicContact CE2-CB 3.86Å; Q196-A229 HydrophobicContact CB-CB 4.18Å; G225-A229 WeakPolarHBondContact O-CB 3.46Å; G225-A229 PolarHBondContact O-N 2.82Å; G225-A229 VanDerWaalsContact O-N 3.08Å; L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 2.81Å; L226-A229 VanDerWaalsContact O-N 3.11Å; A229-A231 VanDerWaalsContact C-N 3.35Å; A229-A232 PolarHBondContact O-N 3.4Å; A229-Q233 PolarHBondContact O-N 2.84Å
230L98.7Very high97.3Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-59.3-45.7174.4-69176.1000111.1L106 F194 L226 Y227 R228 N234 I235 V236 L338 V342L106-L230 HydrophobicContact CD1-CD2 3.98Å; F194-L230 HydrophobicContact CE2-CD2 4.09Å; F194-L230 HydrophobicContact CZ-CD2 4.06Å; L226-L230 HydrophobicContact CD1-CD1 4.08Å; L226-L230 HydrophobicContact CD1-CD2 4.02Å; L226-L230 HydrophobicContact CD1-CG 3.83Å; L226-L230 HydrophobicContact CG-CD1 4.03Å; L226-L230 HydrophobicContact CG-CG 4.2Å; L226-L230 VanDerWaalsContact O-CG 3.29Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.72Å; Y227-L230 HydrophobicContact CD1-CD1 4.37Å; Y227-L230 PolarHBondContact O-N 3.47Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.47Å; L230-N234 PolarHBondContact O-N 2.97Å; L230-N234 VanDerWaalsContact O-N 3.13Å; L230-I235 HydrophobicContact CB-CB 4.37Å; L230-I235 HydrophobicContact CD2-CB 3.49Å; L230-I235 VanDerWaalsContact CD2-CB 3.49Å; L230-I235 HydrophobicContact CD2-CG1 4.12Å; L230-I235 HydrophobicContact CD2-CG2 3.38Å; L230-I235 PolarHBondContact O-N 2.79Å; L230-V236 HydrophobicContact CB-CG2 4.28Å; L230-V236 HydrophobicContact CD1-CG2 4.44Å; L230-L338 HydrophobicContact CD1-CD2 4.42Å; L230-V342 HydrophobicContact CB-CG2 3.88Å; L230-V342 HydrophobicContact CD1-CG2 4Å
231A98.1Very high97.7Very high42 Ų4238.3 Ų38.335%0.34721%0.205SC..Hα-helixtrans-64.4-5017700000112.2Y227 R228 A229 Q233 N234 V342Y227-A231 PolarHBondContact O-N 3.45Å; R228-A231 PolarHBondContact O-N 3.08Å; A229-A231 VanDerWaalsContact C-N 3.35Å; A231-Q233 PolarHBondContact O-N 3.27Å; A231-Q233 VanDerWaalsContact O-N 3.08Å; A231-N234 PolarHBondContact O-N 3.47Å; A231-V342 HydrophobicContact CB-CG1 3.39Å
232A97.5Very high97.9Very high81 Ų8141.5 Ų41.567%0.66922%0.216SC*.Hα-helixtrans-60.5-25.4-174.400000113.3R228 A229R228-A232 WeakPolarHBondContact O-CB 3.48Å; R228-A232 PolarHBondContact O-N 3.26Å; A229-A232 PolarHBondContact O-N 3.4Å
233Q98.4Very high98.2Very high79 Ų7943.5 Ų43.537%0.36924%0.236SC..THydrogen-bonded Turntrans-120.715.3-175.7-61.3-176.4-90.100113.4F194 Q195 A229 A231 I235F194-Q233 HydrophobicContact CB-CB 4.48Å; F194-Q233 VanDerWaalsContact CB-OE1 3.26Å; Q195-Q233 PolarHBondContact O-OE1 2.94Å; Q195-Q233 VanDerWaalsContact O-OE1 3.12Å; A229-Q233 PolarHBondContact O-N 2.84Å; A231-Q233 PolarHBondContact O-N 3.27Å; A231-Q233 VanDerWaalsContact O-N 3.08Å; Q233-I235 VanDerWaalsContact C-N 3.26Å; Q233-I235 HydrophobicContact CB-CD1 4.05Å; Q233-I235 HydrophobicContact CB-CG1 4.07Å; Q233-I235 PolarHBondContact O-N 2.96Å
234N98.6Very high98.4Very high99 Ų9941.6 Ų41.653%0.52923%0.226SC..THydrogen-bonded Turntrans49.743.1177.8-54.1-61000113.8L230 A231 E237 D238L230-N234 PolarHBondContact O-N 2.97Å; L230-N234 VanDerWaalsContact O-N 3.13Å; A231-N234 PolarHBondContact O-N 3.47Å; N234-E237 WeakPolarHBondContact CA-OE2 3.44Å; N234-E237 HydrophobicContact CB-CB 4.18Å; N234-E237 HydrophobicContact CB-CG 4.26Å; N234-E237 WeakPolarHBondContact CB-OE2 3.48Å; N234-E237 PolarHBondContact O-N 3.12Å; N234-D238 PolarHBondContact O-N 2.88Å
235I98.9Very high98.5Very high7 Ų747.2 Ų47.24%0.03625%0.247CC..Hα-helixtrans-73.9-32.8-174.7-58-61.1000111.2Y163 I192 F194 L230 Q233 E237 D238 M239Y163-I235 HydrophobicContact CD1-CG2 3.63Å; Y163-I235 HydrophobicContact CE1-CG2 3.87Å; Y163-I235 HydrophobicContact CG-CG2 4.31Å; I192-I235 HydrophobicContact CG2-CD1 4.25Å; F194-I235 HydrophobicContact CB-CD1 3.73Å; F194-I235 HydrophobicContact CB-CG1 4.13Å; F194-I235 HydrophobicContact CD1-CD1 4.29Å; F194-I235 HydrophobicContact CD1-CG1 4.41Å; F194-I235 HydrophobicContact CD2-CG1 4.04Å; F194-I235 HydrophobicContact CG-CD1 3.96Å; F194-I235 HydrophobicContact CG-CG1 3.95Å; L230-I235 HydrophobicContact CB-CB 4.37Å; L230-I235 HydrophobicContact CD2-CB 3.49Å; L230-I235 VanDerWaalsContact CD2-CB 3.49Å; L230-I235 HydrophobicContact CD2-CG1 4.12Å; L230-I235 HydrophobicContact CD2-CG2 3.38Å; L230-I235 PolarHBondContact O-N 2.79Å; Q233-I235 VanDerWaalsContact C-N 3.26Å; Q233-I235 HydrophobicContact CB-CD1 4.05Å; Q233-I235 HydrophobicContact CB-CG1 4.07Å; Q233-I235 PolarHBondContact O-N 2.96Å; I235-E237 VanDerWaalsContact C-N 3.3Å; I235-D238 PolarHBondContact O-N 3.46Å; I235-M239 HydrophobicContact CG2-CE 3.76Å; I235-M239 WeakPolarHBondContact O-CG 3.48Å; I235-M239 PolarHBondContact O-N 3.32Å
236V98.8Very high98.6Very high2 Ų247.1 Ų47.11%0.01225%0.247CC..Hα-helixtrans-65.2-39.3175.31760000110L230 M239 E240 V335 R339 V342L230-V236 HydrophobicContact CB-CG2 4.28Å; L230-V236 HydrophobicContact CD1-CG2 4.44Å; V236-M239 WeakPolarHBondContact O-CB 3.35Å; V236-M239 PolarHBondContact O-N 3.11Å; V236-E240 WeakPolarHBondContact CG1-OE1 3.13Å; V236-E240 VanDerWaalsContact O-CG 3.23Å; V236-E240 WeakPolarHBondContact O-CG 3.39Å; V236-E240 PolarHBondContact O-N 3.11Å; V236-V335 HydrophobicContact CG1-CG1 4.41Å; V236-R339 HydrophobicContact CG1-CB 3.92Å; V236-R339 HydrophobicContact CG1-CG 4.31Å; V236-V342 HydrophobicContact CG2-CG2 4.04Å
237E98.8Very high98.6Very high80 Ų8047.1 Ų47.137%0.37425%0.247SC..Hα-helixtrans-65-39.8176.7-65.571.1-165.300111.7N234 I235 E240 Q241N234-E237 WeakPolarHBondContact CA-OE2 3.44Å; N234-E237 HydrophobicContact CB-CB 4.18Å; N234-E237 HydrophobicContact CB-CG 4.26Å; N234-E237 WeakPolarHBondContact CB-OE2 3.48Å; N234-E237 PolarHBondContact O-N 3.12Å; I235-E237 VanDerWaalsContact C-N 3.3Å; E237-E240 PolarHBondContact O-N 3.49Å; E237-Q241 WeakPolarHBondContact O-CB 3.47Å; E237-Q241 PolarHBondContact O-N 3.29Å
238D98.9Very high98.6Very high35 Ų3547.1 Ų47.119%0.18725%0.247CC..Hα-helixtrans-64.3-41.8173177.4-84.4000111.5Y163 N234 I235 E240 Q241 R242Y163-D238 VanDerWaalsContact CE1-OD1 3.25Å; Y163-D238 WeakPolarHBondContact CE1-OD1 3.38Å; Y163-D238 VanDerWaalsContact CZ-OD1 3.28Å; Y163-D238 PolarHBondContact OH-OD1 2.93Å; N234-D238 PolarHBondContact O-N 2.88Å; I235-D238 PolarHBondContact O-N 3.46Å; D238-E240 VanDerWaalsContact C-N 3.3Å; D238-E240 PolarHBondContact O-N 3.3Å; D238-Q241 PolarHBondContact O-N 3.13Å; D238-R242 WeakPolarHBondContact O-CB 3.36Å; D238-R242 VanDerWaalsContact O-CG 3.29Å; D238-R242 WeakPolarHBondContact O-CG 3.34Å; D238-R242 PolarHBondContact O-N 2.84Å; D238-R242 VanDerWaalsContact OD1-CD 3.27Å; D238-R242 WeakPolarHBondContact OD1-CD 3.36Å; D238-R242 IonicContact OD1-CZ 2.72Å; D238-R242 IonicContact OD1-NE 3.68Å; D238-R242 PolarHBondContact OD1-NE 3.5Å; D238-R242 IonicContact OD2-CZ 3.83Å; D238-R242 IonicContact OD2-NE 3.53Å; D238-R242 PolarHBondContact OD2-NE 2.94Å; D238-R242 IonicContact OD2-NH2 3.68Å
239M98.9Very high98.7Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-58.6-43.2174.8-70.1169178.900111.4L106 Y163 I235 V236 R242 G243 I244 I247 V335 L338L106-M239 HydrophobicContact CD1-CE 3.99Å; Y163-M239 HydrophobicContact CD1-CE 4.41Å; Y163-M239 HydrophobicContact CD2-CE 3.7Å; Y163-M239 HydrophobicContact CE1-CE 4.48Å; Y163-M239 HydrophobicContact CE1-CG 4.35Å; Y163-M239 HydrophobicContact CE2-CE 3.77Å; Y163-M239 HydrophobicContact CE2-CG 3.75Å; Y163-M239 HydrophobicContact CG-CE 4.03Å; Y163-M239 WeakPolarHBondContact OH-CG 3.28Å; I235-M239 HydrophobicContact CG2-CE 3.76Å; I235-M239 WeakPolarHBondContact O-CG 3.48Å; I235-M239 PolarHBondContact O-N 3.32Å; V236-M239 WeakPolarHBondContact O-CB 3.35Å; V236-M239 PolarHBondContact O-N 3.11Å; M239-R242 PolarHBondContact O-N 3.12Å; M239-G243 PolarHBondContact O-N 3.48Å; M239-I244 HydrophobicContact CB-CB 4.23Å; M239-I244 WeakPolarHBondContact O-CB 3.35Å; M239-I244 WeakPolarHBondContact O-CG1 3.44Å; M239-I244 PolarHBondContact O-N 2.93Å; M239-I247 HydrophobicContact CE-CD1 3.78Å; M239-I247 HydrophobicContact CE-CG1 4.2Å; M239-I247 HydrophobicContact CE-CG2 4.48Å; M239-I247 HydrophobicContact CG-CD1 4.09Å; M239-I247 HydrophobicContact SD-CD1 3.58Å; M239-I247 VanDerWaalsContact SD-CD1 3.58Å; M239-I247 HydrophobicContact SD-CG1 3.93Å; M239-V335 HydrophobicContact CB-CG1 4.29Å; M239-V335 HydrophobicContact CB-CG2 4.06Å; M239-V335 HydrophobicContact SD-CG2 4.33Å; M239-L338 HydrophobicContact SD-CD1 4.42Å
240E98.8Very high98.7Very high61 Ų6143.3 Ų43.329%0.28523%0.232SC..Hα-helixtrans-69.9-42.2179.2-69.7166.1177.500112.6V236 E237 D238 R242 G243 V335 R339V236-E240 WeakPolarHBondContact CG1-OE1 3.13Å; V236-E240 VanDerWaalsContact O-CG 3.23Å; V236-E240 WeakPolarHBondContact O-CG 3.39Å; V236-E240 PolarHBondContact O-N 3.11Å; E237-E240 PolarHBondContact O-N 3.49Å; D238-E240 VanDerWaalsContact C-N 3.3Å; D238-E240 PolarHBondContact O-N 3.3Å; E240-R242 PolarHBondContact O-N 3.06Å; E240-G243 PolarHBondContact O-N 3.13Å; E240-V335 HydrophobicContact CG-CG1 3.67Å; E240-R339 IonicContact OE1-CZ 3.04Å; E240-R339 IonicContact OE1-NE 3.26Å; E240-R339 PolarHBondContact OE1-NE 3.19Å; E240-R339 IonicContact OE1-NH2 2.71Å; E240-R339 PolarHBondContact OE1-NH2 2.87Å; E240-R339 IonicContact OE2-CZ 3.63Å; E240-R339 IonicContact OE2-NE 2.65Å; E240-R339 IonicContact OE2-NH2 2.72Å; E240-R339 PolarHBondContact OE2-NH2 3.1Å
241Q98.8Very high98.7Very high167 Ų16744.4 Ų44.478%0.7824%0.239SC*.Hα-helixtrans-58.4-36.3174.4-174.3-178.726.200111.3E237 D238 G243E237-Q241 WeakPolarHBondContact O-CB 3.47Å; E237-Q241 PolarHBondContact O-N 3.29Å; D238-Q241 PolarHBondContact O-N 3.13Å; Q241-G243 VanDerWaalsContact C-N 3.29Å
242R98.8Very high98.7Very high82 Ų8242.7 Ų42.731%0.30923%0.225SC..THydrogen-bonded Turntrans-80-6.5176-69.2173.3-175.6-94.62.3113.9Y163 E189 N190 D238 M239 E240 I244Y163-R242 WeakPolarHBondContact OH-CD 3.5Å; E189-R242 PolarHBondContact O-NH2 3.32Å; N190-R242 PolarHBondContact OD1-NH1 2.81Å; D238-R242 WeakPolarHBondContact O-CB 3.36Å; D238-R242 VanDerWaalsContact O-CG 3.29Å; D238-R242 WeakPolarHBondContact O-CG 3.34Å; D238-R242 PolarHBondContact O-N 2.84Å; D238-R242 VanDerWaalsContact OD1-CD 3.27Å; D238-R242 WeakPolarHBondContact OD1-CD 3.36Å; D238-R242 IonicContact OD1-CZ 2.72Å; D238-R242 IonicContact OD1-NE 3.68Å; D238-R242 PolarHBondContact OD1-NE 3.5Å; D238-R242 IonicContact OD2-CZ 3.83Å; D238-R242 IonicContact OD2-NE 3.53Å; D238-R242 PolarHBondContact OD2-NE 2.94Å; D238-R242 IonicContact OD2-NH2 3.68Å; M239-R242 PolarHBondContact O-N 3.12Å; E240-R242 PolarHBondContact O-N 3.06Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-I244 HydrophobicContact CB-CD1 4.34Å; R242-I244 HydrophobicContact CB-CG1 3.9Å
243G98.8Very high98.7Very high45 Ų4539.2 Ų39.246%0.46420%0.195SC..THydrogen-bonded Turntrans72.924.1-178.600000114.1M239 E240 Q241M239-G243 PolarHBondContact O-N 3.48Å; E240-G243 PolarHBondContact O-N 3.13Å; Q241-G243 VanDerWaalsContact C-N 3.29Å
244I98.9Very high98.7Very high11 Ų1135.6 Ų35.66%0.05618%0.178CC..  trans-70.5138.7179.1-55.3-60.2000110.2N101 A104 P161 M239 R242 I247 V335N101-I244 WeakPolarHBondContact O-CD1 3.48Å; A104-I244 HydrophobicContact CB-CD1 4.17Å; A104-I244 HydrophobicContact CB-CG1 4.2Å; A104-I244 HydrophobicContact CB-CG2 3.81Å; P161-I244 HydrophobicContact CG-CD1 3.88Å; P161-I244 HydrophobicContact CG-CG1 4.45Å; M239-I244 HydrophobicContact CB-CB 4.23Å; M239-I244 WeakPolarHBondContact O-CB 3.35Å; M239-I244 WeakPolarHBondContact O-CG1 3.44Å; M239-I244 PolarHBondContact O-N 2.93Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-I244 HydrophobicContact CB-CD1 4.34Å; R242-I244 HydrophobicContact CB-CG1 3.9Å; I244-I247 HydrophobicContact CG2-CD1 3.44Å; I244-I247 VanDerWaalsContact CG2-CD1 3.44Å; I244-V335 HydrophobicContact CB-CG2 4.18Å; I244-V335 HydrophobicContact CG2-CG2 3.96Å; I244-V335 VanDerWaalsContact O-CG2 3.3Å; I244-V335 WeakPolarHBondContact O-CG2 3.21Å
245W98.9Very high98.7Very high118 Ų11831 Ų3145%0.44715%0.153SC..  trans-110.5-45174.4178.1-100.2000111.7K102 T334 V335 P336K102-W245 HydrophobicContact CB-CB 4.24Å; K102-W245 PolarHBondContact O-N 3.45Å; W245-T334 HydrophobicContact CZ2-CG2 4.23Å; W245-T334 CarbonylContact O-C 3.54Å; W245-T334 VanDerWaalsContact O-CA 3.26Å; W245-T334 WeakPolarHBondContact O-CA 3.13Å; W245-V335 PolarHBondContact O-N 2.7Å; W245-P336 HydrophobicContact CE3-CG 4.33Å; W245-P336 HydrophobicContact CH2-CG 4.11Å; W245-P336 HydrophobicContact CZ3-CG 3.71Å
246S98.9Very high98.7Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-110.5128.4-172.1-61.90000111.5K102 V103 A104 F332K102-S246 PolarHBondContact O-N 2.98Å; V103-S246 WeakPolarHBondContact CA-O 3.12Å; A104-S246 PolarHBondContact N-O 2.82Å; S246-F332 WeakPolarHBondContact OG-CE2 3.29Å
247I98.9Very high98.7Very high0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-112.8120.6172.8-52-57.3000109.2A104 L106 M239 I244 V249 F332 F333 V335 L338A104-I247 HydrophobicContact CB-CD1 3.8Å; A104-I247 WeakPolarHBondContact O-CA 3.35Å; L106-I247 HydrophobicContact CB-CG2 3.81Å; M239-I247 HydrophobicContact CE-CD1 3.78Å; M239-I247 HydrophobicContact CE-CG1 4.2Å; M239-I247 HydrophobicContact CE-CG2 4.48Å; M239-I247 HydrophobicContact CG-CD1 4.09Å; M239-I247 HydrophobicContact SD-CD1 3.58Å; M239-I247 VanDerWaalsContact SD-CD1 3.58Å; M239-I247 HydrophobicContact SD-CG1 3.93Å; I244-I247 HydrophobicContact CG2-CD1 3.44Å; I244-I247 VanDerWaalsContact CG2-CD1 3.44Å; I247-V249 HydrophobicContact CG2-CG2 3.86Å; I247-F332 WeakPolarHBondContact O-CA 3.42Å; I247-F333 PolarHBondContact N-O 2.83Å; I247-F333 PolarHBondContact O-N 3.15Å; I247-V335 HydrophobicContact CD1-CG2 3.89Å; I247-V335 HydrophobicContact CG1-CG2 3.88Å; I247-L338 HydrophobicContact CB-CD1 4.14Å; I247-L338 HydrophobicContact CG1-CD1 3.77Å; I247-L338 HydrophobicContact CG2-CD1 4.36Å
248H98.9Very high98.8Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-95.1105.2167.6172.2-124.3000109.7A104 V105 L106 K258 A260 N330 H331A104-H248 PolarHBondContact O-N 2.85Å; V105-H248 WeakPolarHBondContact CA-O 3.41Å; V105-H248 HydrophobicContact CG1-CB 4.18Å; L106-H248 PolarHBondContact N-O 2.95Å; H248-K258 PolarHBondContact CE1-O 3.47Å; H248-A260 PolarHBondContact ND1-N 3.03Å; H248-A260 VanDerWaalsContact ND1-N 3.15Å; H248-N330 PolarHBondContact NE2-OD1 3.43Å; H248-H331 CarbonylContact C-O 3.56Å; H248-H331 WeakPolarHBondContact CA-O 3.43Å
249V98.9Very high98.8Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-88.8131.5177.1-176.90000109.5L106 L108 I247 N330 H331 F333 V382L106-V249 HydrophobicContact CB-CG2 4.16Å; L106-V249 HydrophobicContact CD2-CG1 4.08Å; L106-V249 HydrophobicContact CD2-CG2 4.5Å; L106-V249 CarbonylContact O-C 3.6Å; L106-V249 VanDerWaalsContact O-CA 3.3Å; L106-V249 WeakPolarHBondContact O-CA 3.3Å; L108-V249 HydrophobicContact CD1-CG1 3.89Å; L108-V249 HydrophobicContact CD2-CG1 4.08Å; L108-V249 HydrophobicContact CG-CG1 3.93Å; I247-V249 HydrophobicContact CG2-CG2 3.86Å; V249-N330 CarbonylContact O-C 3.35Å; V249-N330 WeakPolarHBondContact O-CA 3.28Å; V249-H331 HydrophobicContact CB-CB 4.35Å; V249-H331 PolarHBondContact N-O 3.2Å; V249-H331 PolarHBondContact O-N 2.9Å; V249-F333 HydrophobicContact CB-CD2 4.42Å; V249-F333 HydrophobicContact CB-CE2 4.2Å; V249-F333 HydrophobicContact CG2-CD2 3.47Å; V249-F333 VanDerWaalsContact CG2-CD2 3.47Å; V249-F333 HydrophobicContact CG2-CE2 3.63Å; V249-V382 HydrophobicContact CG1-CG2 4.45Å
250Y98.9Very high98.8Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-148.2158.7179.773.3-78.7000114V105 L106 L107 L108 Q139 W162 V257 V259 A329V105-Y250 HydrophobicContact CB-CE1 4.12Å; L106-Y250 PolarHBondContact O-N 2.9Å; L107-Y250 HydrophobicContact CB-CE1 4.04Å; L107-Y250 HydrophobicContact CD1-CD2 3.91Å; L107-Y250 HydrophobicContact CD1-CE1 4.27Å; L107-Y250 HydrophobicContact CD1-CE2 3.39Å; L107-Y250 HydrophobicContact CG-CE2 4.44Å; L108-Y250 PolarHBondContact N-O 2.79Å; Q139-Y250 HydrophobicContact CG-CE2 4.22Å; Q139-Y250 PolarHBondContact OE1-OH 3.14Å; W162-Y250 WeakPolarHBondContact CZ2-OH 3.45Å; W162-Y250 PolarHBondContact NE1-OH 2.68Å; W162-Y250 VanDerWaalsContact NE1-OH 3.12Å; Y250-V257 HydrophobicContact CD2-CB 4.39Å; Y250-V257 HydrophobicContact CD2-CG1 4.1Å; Y250-V257 HydrophobicContact CD2-CG2 3.63Å; Y250-V257 HydrophobicContact CE2-CG1 4.09Å; Y250-V257 HydrophobicContact CE2-CG2 4.33Å; Y250-V257 HydrophobicContact CG-CG2 4.04Å; Y250-V259 HydrophobicContact CE1-CG1 4.02Å; Y250-V259 HydrophobicContact CE1-CG2 4.48Å; Y250-V259 HydrophobicContact CE2-CG2 4.03Å; Y250-A329 VanDerWaalsContact CA-O 3.32Å; Y250-A329 WeakPolarHBondContact CA-O 3.28Å
251C98.1Very high98.8Very high24 Ų2423.1 Ų23.116%0.16212%0.115CC..EExtended strand (participates in β ladder)trans-86.6140.4177-167.40000112.6D253 A329C251-D253 VanDerWaalsContact C-N 3.26Å; C251-D253 PolarHBondContact O-N 3.05Å; C251-A329 HydrophobicContact CB-CB 3.88Å; C251-A329 PolarHBondContact N-O 3.22Å
252V98.4Very high98.8Very high6 Ų615.4 Ų15.44%0.0368%0.079CC..THydrogen-bonded Turntrans-64.8-23.6-17569.60000114.9L107 L108 A109 K122 F136 Q139L107-V252 VanDerWaalsContact CD1-CA 3.46Å; L107-V252 HydrophobicContact CD1-CB 3.58Å; L107-V252 HydrophobicContact CD1-CG2 4.06Å; L107-V252 HydrophobicContact CD2-CG2 4.17Å; L107-V252 HydrophobicContact CG-CB 4.35Å; L108-V252 PolarHBondContact O-N 2.93Å; A109-V252 HydrophobicContact CB-CB 4.37Å; A109-V252 HydrophobicContact CB-CG2 4.44Å; K122-V252 HydrophobicContact CB-CG1 4.15Å; F136-V252 HydrophobicContact CE1-CG2 4.1Å; Q139-V252 PolarHBondContact NE2-O 3.08Å
253D97.5Very high98.8Very high8 Ų814.8 Ų14.84%0.0438%0.077CC..THydrogen-bonded Turntrans-94.36.1-164.265.421.1000115.9K122 C251 P405 L406 K407K122-D253 HydrophobicContact CD-CB 3.93Å; K122-D253 IonicContact NZ-OD2 2.71Å; K122-D253 PolarHBondContact NZ-OD2 3.31Å; C251-D253 VanDerWaalsContact C-N 3.26Å; C251-D253 PolarHBondContact O-N 3.05Å; D253-P405 CarbonylContact O-C 3.49Å; D253-P405 WeakPolarHBondContact O-CA 3.45Å; D253-L406 HydrophobicContact CB-CB 4.26Å; D253-L406 WeakPolarHBondContact CB-O 3.44Å; D253-L406 WeakPolarHBondContact O-CB 3.23Å; D253-L406 PolarHBondContact O-N 3.24Å; D253-K407 WeakPolarHBondContact OD1-CE 3.33Å; D253-K407 IonicContact OD1-NZ 3.91Å; D253-K407 PolarHBondContact OD1-NZ 2.82Å; D253-K407 VanDerWaalsContact OD2-CD 3.28Å; D253-K407 WeakPolarHBondContact OD2-CD 3.4Å; D253-K407 WeakPolarHBondContact OD2-CE 3.32Å; D253-K407 IonicContact OD2-NZ 3.59Å; D253-K407 PolarHBondContact OD2-NZ 2.8Å
254N98.7Very high98.8Very high2 Ų212.7 Ų12.71%0.0116%0.055CC..BIsolated β-bridgetrans-95.2113.3174.2177.116.6000110.9L256 V257 E402 S404N254-L256 PolarHBondContact O-N 2.67Å; N254-L256 PolarHBondContact OD1-N 3.08Å; N254-V257 HydrophobicContact CB-CB 4.16Å; N254-V257 PolarHBondContact ND2-N 3.25Å; N254-V257 WeakPolarHBondContact O-CB 3.48Å; N254-V257 WeakPolarHBondContact O-CG1 3.45Å; N254-V257 PolarHBondContact O-N 3.48Å; N254-E402 PolarHBondContact ND2-O 3.08Å; N254-S404 PolarHBondContact OD1-N 2.95Å; N254-S404 PolarHBondContact OD1-O 3.46Å
255I98.9Very high98.8Very high2 Ų212.1 Ų12.11%0.015%0.052CC..THydrogen-bonded Turntrans-67.9-25.6179.5-163170.4000112.8V127 L129 L135 I138 R142 S404 A421 L425V127-I255 HydrophobicContact CG2-CD1 3.57Å; L129-I255 HydrophobicContact CD1-CD1 4.22Å; L135-I255 HydrophobicContact CD2-CB 4.08Å; L135-I255 HydrophobicContact CD2-CD1 4.42Å; L135-I255 HydrophobicContact CD2-CG1 3.98Å; I138-I255 HydrophobicContact CD1-CD1 4.45Å; I138-I255 HydrophobicContact CD1-CG1 4.17Å; R142-I255 PolarHBondContact NH1-O 2.91Å; R142-I255 PolarHBondContact NH2-O 3.4Å; I255-S404 PolarHBondContact N-O 3.06Å; I255-A421 HydrophobicContact CB-CB 4.46Å; I255-A421 HydrophobicContact CD1-CB 4.37Å; I255-A421 HydrophobicContact CG2-CB 4.06Å; I255-L425 HydrophobicContact CD1-CB 4.17Å; I255-L425 HydrophobicContact CD1-CD2 3.98Å; I255-L425 HydrophobicContact CG1-CB 4.47Å; I255-L425 HydrophobicContact CG1-CD2 4.12Å
256L98.9Very high98.8Very high2 Ų26.5 Ų6.51%0.013%0.031CC..THydrogen-bonded Turntrans-91.95.3-179-58.8-174.5000113.3N254 K258 E400 A424 L425 L428N254-L256 PolarHBondContact O-N 2.67Å; N254-L256 PolarHBondContact OD1-N 3.08Å; L256-K258 PolarHBondContact O-N 3.18Å; L256-K258 VanDerWaalsContact O-N 3.1Å; L256-E400 WeakPolarHBondContact CD1-O 3.27Å; L256-A424 HydrophobicContact CD1-CB 4.23Å; L256-L425 HydrophobicContact CD2-CB 4.04Å; L256-L425 HydrophobicContact CD2-CD1 3.55Å; L256-L425 HydrophobicContact CD2-CG 4.42Å; L256-L428 HydrophobicContact CD2-CD2 3.93Å
257V98.9Very high98.8Very high0 Ų06.6 Ų6.60%03%0.031CC..  trans-59.1118-175.963.30000112.6Q139 R142 Y250 N254 V259 N330Q139-V257 HydrophobicContact CG-CG1 4.06Å; R142-V257 WeakPolarHBondContact CD-O 3.35Å; R142-V257 VanDerWaalsContact CZ-O 3.26Å; R142-V257 PolarHBondContact NE-O 3.39Å; R142-V257 PolarHBondContact NH1-O 2.89Å; Y250-V257 HydrophobicContact CD2-CB 4.39Å; Y250-V257 HydrophobicContact CD2-CG1 4.1Å; Y250-V257 HydrophobicContact CD2-CG2 3.63Å; Y250-V257 HydrophobicContact CE2-CG1 4.09Å; Y250-V257 HydrophobicContact CE2-CG2 4.33Å; Y250-V257 HydrophobicContact CG-CG2 4.04Å; N254-V257 HydrophobicContact CB-CB 4.16Å; N254-V257 PolarHBondContact ND2-N 3.25Å; N254-V257 WeakPolarHBondContact O-CB 3.48Å; N254-V257 WeakPolarHBondContact O-CG1 3.45Å; N254-V257 PolarHBondContact O-N 3.48Å; V257-V259 VanDerWaalsContact C-N 3.31Å; V257-V259 HydrophobicContact CG1-CG2 3.86Å; V257-V259 HydrophobicContact CG2-CG2 4.37Å; V257-V259 PolarHBondContact O-N 2.94Å; V257-N330 VanDerWaalsContact CG2-OD1 3.3Å; V257-N330 WeakPolarHBondContact CG2-OD1 3.44Å
258K98.9Very high98.8Very high16 Ų166.6 Ų6.67%0.073%0.031CC..  trans-75.883.9170.2-69.5-172.6-174.31590109.9H248 L256 A260 D261 E402 Y489H248-K258 PolarHBondContact CE1-O 3.47Å; L256-K258 PolarHBondContact O-N 3.18Å; L256-K258 VanDerWaalsContact O-N 3.1Å; K258-A260 PolarHBondContact O-N 3.37Å; K258-D261 HydrophobicContact CB-CB 3.77Å; K258-D261 WeakPolarHBondContact O-CB 3.4Å; K258-D261 PolarHBondContact O-N 2.82Å; K258-D261 VanDerWaalsContact O-N 3.12Å; K258-E402 HydrophobicContact CD-CG 3.93Å; K258-E402 WeakPolarHBondContact CD-OE1 3.46Å; K258-E402 WeakPolarHBondContact CE-OE1 3.14Å; K258-E402 HydrophobicContact CG-CG 4.23Å; K258-E402 IonicContact NZ-OE1 2.74Å; K258-E402 PolarHBondContact NZ-OE1 2.73Å; K258-Y489 WeakPolarHBondContact CA-OH 3.11Å; K258-Y489 HydrophobicContact CB-CE1 4.2Å; K258-Y489 WeakPolarHBondContact CB-OH 3.16Å; K258-Y489 HydrophobicContact CD-CE1 4.28Å; K258-Y489 HydrophobicContact CG-CE1 4.26Å; K258-Y489 PolarHBondContact O-OH 3.16Å
259V98.9Very high98.8Very high0 Ų08.2 Ų8.20%04%0.039CC..THydrogen-bonded Turntrans-61.3125.3179.8-175.60000109.5V105 Q139 R142 I143 L146 Y250 V257 D261 Y489V105-V259 HydrophobicContact CB-CG1 4.25Å; V105-V259 HydrophobicContact CG1-CG1 3.84Å; V105-V259 HydrophobicContact CG2-CG1 4.15Å; Q139-V259 HydrophobicContact CB-CG2 4Å; Q139-V259 HydrophobicContact CG-CG2 3.91Å; R142-V259 HydrophobicContact CB-CB 4.19Å; R142-V259 HydrophobicContact CB-CG2 4.46Å; I143-V259 HydrophobicContact CD1-CG1 4Å; I143-V259 HydrophobicContact CG1-CB 4.43Å; I143-V259 HydrophobicContact CG1-CG1 3.57Å; L146-V259 WeakPolarHBondContact CD1-O 3.25Å; Y250-V259 HydrophobicContact CE1-CG1 4.02Å; Y250-V259 HydrophobicContact CE1-CG2 4.48Å; Y250-V259 HydrophobicContact CE2-CG2 4.03Å; V257-V259 VanDerWaalsContact C-N 3.31Å; V257-V259 HydrophobicContact CG1-CG2 3.86Å; V257-V259 HydrophobicContact CG2-CG2 4.37Å; V257-V259 PolarHBondContact O-N 2.94Å; V259-D261 VanDerWaalsContact C-N 3.3Å; V259-D261 PolarHBondContact O-N 2.9Å; V259-Y489 PolarHBondContact N-OH 2.88Å; V259-Y489 PolarHBondContact O-OH 3.34Å
260A98.9Very high98.8Very high0 Ų012.5 Ų12.50%06%0.06CC..THydrogen-bonded Turntrans57.637.2-174.400000113.7V103 V105 L146 I160 H248 K258 P262 I265V103-A260 HydrophobicContact CG1-CB 4.4Å; V105-A260 HydrophobicContact CG1-CB 3.58Å; L146-A260 HydrophobicContact CD1-CB 3.7Å; L146-A260 VanDerWaalsContact CD1-O 3.22Å; L146-A260 WeakPolarHBondContact CD1-O 3.45Å; I160-A260 HydrophobicContact CD1-CB 4.03Å; I160-A260 HydrophobicContact CG2-CB 4.37Å; H248-A260 PolarHBondContact ND1-N 3.03Å; H248-A260 VanDerWaalsContact ND1-N 3.15Å; K258-A260 PolarHBondContact O-N 3.37Å; A260-P262 VanDerWaalsContact O-CD 3.27Å; A260-P262 WeakPolarHBondContact O-CD 3.36Å; A260-I265 HydrophobicContact CB-CD1 4.43Å
261D98.9Very high98.8Very high2 Ų217 Ų171%0.0118%0.079CC..  trans-48.7111.4-178.9176.121.4000112.6K258 V259 R263 F264 I265 K278 Y489K258-D261 HydrophobicContact CB-CB 3.77Å; K258-D261 WeakPolarHBondContact O-CB 3.4Å; K258-D261 PolarHBondContact O-N 2.82Å; K258-D261 VanDerWaalsContact O-N 3.12Å; V259-D261 VanDerWaalsContact C-N 3.3Å; V259-D261 PolarHBondContact O-N 2.9Å; D261-R263 PolarHBondContact O-N 2.91Å; D261-R263 WeakPolarHBondContact OD1-CB 3.4Å; D261-R263 PolarHBondContact OD1-N 3.33Å; D261-F264 HydrophobicContact CB-CB 4.11Å; D261-F264 PolarHBondContact O-N 3.46Å; D261-F264 WeakPolarHBondContact OD2-CB 3.32Å; D261-F264 PolarHBondContact OD2-N 3.05Å; D261-F264 VanDerWaalsContact OD2-N 3.16Å; D261-I265 WeakPolarHBondContact O-CG1 3.37Å; D261-I265 PolarHBondContact O-N 3.49Å; D261-K278 IonicContact OD2-NZ 3.55Å; D261-K278 PolarHBondContact OD2-NZ 2.87Å; D261-Y489 WeakPolarHBondContact CA-OH 3.45Å; D261-Y489 PolarHBondContact N-OH 2.86Å
262P98.9Very high98.8Very high5 Ų518.3 Ų18.33%0.03210%0.097CC..Hα-helixtrans-64.5-28.6-17825.2-33.9000112.3E91 G94 L95 I98 L146 A260 G266E91-P262 HydrophobicContact CG-CB 4.27Å; E91-P262 HydrophobicContact CG-CG 4.01Å; G94-P262 WeakPolarHBondContact CA-O 3.32Å; L95-P262 HydrophobicContact CD2-CB 4.18Å; L95-P262 HydrophobicContact CD2-CG 4.26Å; L95-P262 HydrophobicContact CG-CB 3.88Å; L95-P262 HydrophobicContact CG-CG 4.23Å; I98-P262 HydrophobicContact CD1-CB 4.46Å; L146-P262 HydrophobicContact CD2-CG 4.14Å; A260-P262 VanDerWaalsContact O-CD 3.27Å; A260-P262 WeakPolarHBondContact O-CD 3.36Å; P262-G266 PolarHBondContact O-N 3.12Å
263R98.9Very high98.8Very high70 Ų7018.3 Ų18.326%0.26410%0.097SC..Hα-helixtrans-67.7-50.1177.8-67.7173-176.2176.97.2110.9E91 D261 G266 F267E91-R263 HydrophobicContact CB-CG 3.87Å; E91-R263 HydrophobicContact CG-CG 4.29Å; E91-R263 IonicContact OE2-CZ 3.33Å; E91-R263 VanDerWaalsContact OE2-CZ 3.23Å; E91-R263 IonicContact OE2-NE 3.94Å; E91-R263 PolarHBondContact OE2-NE 3.1Å; E91-R263 IonicContact OE2-NH2 3.61Å; E91-R263 PolarHBondContact OE2-NH2 3.26Å; D261-R263 PolarHBondContact O-N 2.91Å; D261-R263 WeakPolarHBondContact OD1-CB 3.4Å; D261-R263 PolarHBondContact OD1-N 3.33Å; R263-G266 PolarHBondContact O-N 3.33Å; R263-F267 VanDerWaalsContact O-CB 3.28Å; R263-F267 WeakPolarHBondContact O-CB 3.35Å; R263-F267 PolarHBondContact O-N 3.17Å
264F98.9Very high98.9Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-63.7-43.6177.4177.7-133.2000112.6D261 F267 C268 K278 F332 Y395D261-F264 HydrophobicContact CB-CB 4.11Å; D261-F264 PolarHBondContact O-N 3.46Å; D261-F264 WeakPolarHBondContact OD2-CB 3.32Å; D261-F264 PolarHBondContact OD2-N 3.05Å; D261-F264 VanDerWaalsContact OD2-N 3.16Å; F264-F267 PolarHBondContact O-N 3.33Å; F264-C268 VanDerWaalsContact CE2-SG 3.55Å; F264-C268 PolarHBondContact O-N 3.23Å; F264-C268 VanDerWaalsContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.87Å; F264-C268 VanDerWaalsContact O-SG 3.36Å; F264-K278 VanDerWaalsContact CB-CE 3.47Å; F264-K278 HydrophobicContact CD2-CB 4.45Å; F264-K278 HydrophobicContact CE1-CB 4.26Å; F264-K278 HydrophobicContact CE2-CB 4.2Å; F264-K278 HydrophobicContact CZ-CB 4.1Å; F264-F332 HydrophobicContact CE1-CB 3.76Å; F264-F332 HydrophobicContact CE2-CB 4.48Å; F264-F332 HydrophobicContact CZ-CB 3.68Å; F264-Y395 HydrophobicContact CB-CD1 4.07Å; F264-Y395 HydrophobicContact CB-CE1 4.33Å; F264-Y395 AromaticContact CD2-CD1 3.76Å; F264-Y395 HydrophobicContact CD2-CD1 3.76Å; F264-Y395 AromaticContact CD2-CG 3.88Å; F264-Y395 HydrophobicContact CD2-CG 3.88Å; F264-Y395 HydrophobicContact CG-CD1 4.28Å
265I98.9Very high98.9Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-62.1-50.2177.6-69.3167.1000110.5V103 A260 D261 F267 C268 I269 F332V103-I265 HydrophobicContact CG1-CD1 3.65Å; V103-I265 HydrophobicContact CG2-CD1 4.4Å; V103-I265 HydrophobicContact CG2-CG2 4.32Å; A260-I265 HydrophobicContact CB-CD1 4.43Å; D261-I265 WeakPolarHBondContact O-CG1 3.37Å; D261-I265 PolarHBondContact O-N 3.49Å; I265-F267 VanDerWaalsContact C-N 3.34Å; I265-F267 PolarHBondContact O-N 3.09Å; I265-C268 PolarHBondContact O-N 2.97Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.07Å; I265-I269 PolarHBondContact O-N 2.93Å; I265-F332 HydrophobicContact CG1-CD2 4.44Å; I265-F332 HydrophobicContact CG2-CE2 4.33Å
266G98.9Very high98.9Very high0 Ų018.5 Ų18.50%010%0.099CC..Hα-helixtrans-64.3-36.9-179.900000113.2W90 P262 R263 I269 Q270W90-G266 WeakPolarHBondContact O-CA 3.19Å; P262-G266 PolarHBondContact O-N 3.12Å; R263-G266 PolarHBondContact O-N 3.33Å; G266-I269 PolarHBondContact O-N 3.31Å; G266-Q270 WeakPolarHBondContact O-CB 3.3Å; G266-Q270 WeakPolarHBondContact O-CG 3.16Å; G266-Q270 PolarHBondContact O-N 3.35Å
267F98.9Very high98.9Very high1 Ų118.4 Ų18.40%0.00410%0.098CC..Hα-helixtrans-56.1-51.8170.6166.4-101.3000111.4W90 R263 F264 I265 I269 Q270 K271 V393 V394 Y395W90-F267 HydrophobicContact CD2-CB 3.97Å; W90-F267 HydrophobicContact CD2-CD2 4.23Å; W90-F267 AromaticContact CE2-CD2 3.84Å; W90-F267 HydrophobicContact CE3-CB 4.28Å; W90-F267 HydrophobicContact CE3-CD2 4.46Å; W90-F267 HydrophobicContact CG-CB 4.07Å; W90-F267 AromaticContact CH2-CD2 3.97Å; W90-F267 HydrophobicContact CH2-CD2 3.97Å; W90-F267 HydrophobicContact CH2-CE2 4.46Å; W90-F267 AromaticContact CZ2-CD2 3.7Å; W90-F267 HydrophobicContact CZ2-CD2 3.7Å; W90-F267 HydrophobicContact CZ2-CE2 4.3Å; W90-F267 HydrophobicContact CZ3-CD2 4.38Å; R263-F267 VanDerWaalsContact O-CB 3.28Å; R263-F267 WeakPolarHBondContact O-CB 3.35Å; R263-F267 PolarHBondContact O-N 3.17Å; F264-F267 PolarHBondContact O-N 3.33Å; I265-F267 VanDerWaalsContact C-N 3.34Å; I265-F267 PolarHBondContact O-N 3.09Å; F267-I269 VanDerWaalsContact C-N 3.35Å; F267-I269 PolarHBondContact O-N 3.28Å; F267-Q270 PolarHBondContact O-N 3.16Å; F267-K271 HydrophobicContact CD2-CG 4.2Å; F267-K271 HydrophobicContact CE2-CD 4.47Å; F267-K271 HydrophobicContact CE2-CG 3.89Å; F267-K271 HydrophobicContact CZ-CG 4.17Å; F267-K271 WeakPolarHBondContact O-CB 3.44Å; F267-K271 VanDerWaalsContact O-CG 3.28Å; F267-K271 WeakPolarHBondContact O-CG 3.34Å; F267-K271 PolarHBondContact O-N 3Å; F267-V393 HydrophobicContact CD1-CG2 4.26Å; F267-V393 HydrophobicContact CE1-CB 3.77Å; F267-V393 HydrophobicContact CE1-CG2 3.6Å; F267-V393 HydrophobicContact CZ-CB 4.08Å; F267-V393 HydrophobicContact CZ-CG2 4.36Å; F267-V394 WeakPolarHBondContact CZ-O 3.34Å; F267-Y395 HydrophobicContact CB-CD2 4.23Å; F267-Y395 HydrophobicContact CB-CE2 4.31Å; F267-Y395 AromaticContact CD1-CD2 3.71Å; F267-Y395 HydrophobicContact CD1-CD2 3.71Å; F267-Y395 HydrophobicContact CD1-CG 4.02Å; F267-Y395 HydrophobicContact CD2-CD2 4.01Å; F267-Y395 HydrophobicContact CD2-CE2 4.32Å; F267-Y395 HydrophobicContact CE1-CD2 4.01Å; F267-Y395 HydrophobicContact CE1-CG 4.34Å; F267-Y395 HydrophobicContact CE2-CD2 4.3Å; F267-Y395 AromaticContact CG-CD2 3.7Å; F267-Y395 HydrophobicContact CG-CD2 3.7Å; F267-Y395 HydrophobicContact CG-CE2 4.15Å; F267-Y395 HydrophobicContact CG-CG 4.39Å; F267-Y395 HydrophobicContact CZ-CD2 4.3Å
268C98.9Very high98.9Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-60.6-43.6178.9-69.30000112F264 I265 K271 G272 A273 F332F264-C268 VanDerWaalsContact CE2-SG 3.55Å; F264-C268 PolarHBondContact O-N 3.23Å; F264-C268 VanDerWaalsContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.87Å; F264-C268 VanDerWaalsContact O-SG 3.36Å; I265-C268 PolarHBondContact O-N 2.97Å; C268-K271 PolarHBondContact O-N 2.71Å; C268-G272 PolarHBondContact O-N 3.01Å; C268-G272 VanDerWaalsContact O-N 3.13Å; C268-A273 HydrophobicContact CB-CB 4.32Å; C268-A273 WeakPolarHBondContact O-CB 3.27Å; C268-A273 PolarHBondContact O-N 2.92Å; C268-F332 HydrophobicContact CB-CB 4.35Å; C268-F332 HydrophobicContact CB-CD1 3.56Å; C268-F332 HydrophobicContact CB-CD2 3.86Å; C268-F332 HydrophobicContact CB-CE1 3.7Å; C268-F332 HydrophobicContact CB-CE2 3.96Å; C268-F332 HydrophobicContact CB-CG 3.65Å; C268-F332 HydrophobicContact CB-CZ 3.9Å
269I98.9Very high98.9Very high34 Ų3417.8 Ų17.817%0.17410%0.095CC..Hα-helixtrans-64.2-48.4179.1-66.9-69000111.6E93 Q97 I265 G266 F267 K271 G272 F332E93-I269 HydrophobicContact CG-CB 4.1Å; E93-I269 HydrophobicContact CG-CG2 3.78Å; E93-I269 WeakPolarHBondContact OE1-CG2 3.47Å; Q97-I269 HydrophobicContact CG-CG1 4.39Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.07Å; I265-I269 PolarHBondContact O-N 2.93Å; G266-I269 PolarHBondContact O-N 3.31Å; F267-I269 VanDerWaalsContact C-N 3.35Å; F267-I269 PolarHBondContact O-N 3.28Å; I269-K271 PolarHBondContact O-N 3.03Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 3.01Å; I269-F332 HydrophobicContact CD1-CE2 4.43Å; I269-F332 HydrophobicContact CD1-CZ 3.96Å; I269-F332 HydrophobicContact CG1-CE2 4.5Å; I269-F332 HydrophobicContact CG1-CZ 4.37Å
270Q98.8Very high98.9Very high91 Ų9117.8 Ų17.843%0.42510%0.096SC..Hα-helixtrans-65.5-29.7179.5-73.2-169.612.200112.8A89 E93 G266 F267 G272A89-Q270 PolarHBondContact O-NE2 2.93Å; A89-Q270 VanDerWaalsContact O-NE2 3.08Å; E93-Q270 HydrophobicContact CB-CG 4.36Å; E93-Q270 HydrophobicContact CG-CG 4.16Å; G266-Q270 WeakPolarHBondContact O-CB 3.3Å; G266-Q270 WeakPolarHBondContact O-CG 3.16Å; G266-Q270 PolarHBondContact O-N 3.35Å; F267-Q270 PolarHBondContact O-N 3.16Å; Q270-G272 PolarHBondContact O-N 2.89Å
271K98.6Very high98.9Very high93 Ų9320.1 Ų20.140%0.40411%0.106SC..THydrogen-bonded Turntrans-77.5-8.7171.4-65.1-64.1-176.9179.40112.7F267 C268 I269 A273 K391 V393F267-K271 HydrophobicContact CD2-CG 4.2Å; F267-K271 HydrophobicContact CE2-CD 4.47Å; F267-K271 HydrophobicContact CE2-CG 3.89Å; F267-K271 HydrophobicContact CZ-CG 4.17Å; F267-K271 WeakPolarHBondContact O-CB 3.44Å; F267-K271 VanDerWaalsContact O-CG 3.28Å; F267-K271 WeakPolarHBondContact O-CG 3.34Å; F267-K271 PolarHBondContact O-N 3Å; C268-K271 PolarHBondContact O-N 2.71Å; I269-K271 PolarHBondContact O-N 3.03Å; K271-A273 PolarHBondContact O-N 3.18Å; K271-K391 WeakPolarHBondContact O-CD 3.37Å; K271-K391 WeakPolarHBondContact O-CE 3.45Å; K271-K391 PolarHBondContact O-NZ 3.29Å; K271-V393 HydrophobicContact CB-CG1 3.93Å; K271-V393 HydrophobicContact CG-CG1 4.34Å
272G98.7Very high98.8Very high52 Ų5220.1 Ų20.154%0.53611%0.107SC..THydrogen-bonded Turntrans63.632-175.200000112.5C268 I269 Q270 K391C268-G272 PolarHBondContact O-N 3.01Å; C268-G272 VanDerWaalsContact O-N 3.13Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 3.01Å; Q270-G272 PolarHBondContact O-N 2.89Å; G272-K391 WeakPolarHBondContact O-CD 3.43Å
273A98.8Very high98.7Very high6 Ų623.8 Ų23.85%0.0513%0.129CC..  trans-75.6143.3-178.900000110.9C268 K271 F332 K391 V393C268-A273 HydrophobicContact CB-CB 4.32Å; C268-A273 WeakPolarHBondContact O-CB 3.27Å; C268-A273 PolarHBondContact O-N 2.92Å; K271-A273 PolarHBondContact O-N 3.18Å; A273-F332 WeakPolarHBondContact O-CE1 3.29Å; A273-K391 WeakPolarHBondContact CA-O 3.48Å; A273-K391 WeakPolarHBondContact CB-O 3.35Å; A273-V393 HydrophobicContact CB-CB 4.36Å; A273-V393 HydrophobicContact CB-CG1 3.93Å; A273-V393 HydrophobicContact CB-CG2 3.55Å
274D98.9Very high98.6Very high17 Ų1723.4 Ų23.49%0.09113%0.132CC..SBendtrans-95.8-19.1168.263.5-22000112.3T334 F337 K390 K391D274-T334 HydrophobicContact CB-CG2 4.48Å; D274-T334 PolarHBondContact O-N 2.89Å; D274-F337 HydrophobicContact CB-CB 4.19Å; D274-K390 PolarHBondContact OD1-N 2.79Å; D274-K390 WeakPolarHBondContact OD2-CB 3.45Å; D274-K390 PolarHBondContact OD2-N 3.03Å; D274-K391 PolarHBondContact N-O 2.92Å; D274-K391 VanDerWaalsContact OD1-C 3.27Å; D274-K391 WeakPolarHBondContact OD1-CA 3.47Å; D274-K391 PolarHBondContact OD1-N 3.37Å
275C98.9Very high98.5Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-142.1137.4177.2-177.60000111F332 F333 F337 F386 A389 F392 V393C275-F332 CarbonylContact C-O 3.3Å; C275-F332 VanDerWaalsContact CA-O 3.27Å; C275-F332 WeakPolarHBondContact CA-O 3.32Å; C275-F333 HydrophobicContact CB-CD1 4.3Å; C275-F333 WeakPolarHBondContact SG-CE1 3.35Å; C275-F337 HydrophobicContact CB-CD1 4.23Å; C275-F337 HydrophobicContact CB-CE1 3.84Å; C275-F337 HydrophobicContact CB-CZ 4.36Å; C275-F386 WeakPolarHBondContact SG-CD1 3.12Å; C275-A389 HydrophobicContact CB-CB 3.46Å; C275-A389 VanDerWaalsContact CB-CB 3.46Å; C275-F392 HydrophobicContact CB-CD2 4.04Å; C275-F392 WeakPolarHBondContact O-CA 3.43Å; C275-F392 VanDerWaalsContact SG-CD2 3.56Å; C275-V393 PolarHBondContact O-N 2.79Å; C275-V393 VanDerWaalsContact O-N 3.11Å
276G98.9Very high98.4Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-142147.7175.600000112.7H331 F332 V393G276-H331 CarbonylContact O-C 3.59Å; G276-H331 VanDerWaalsContact O-CA 3.28Å; G276-H331 WeakPolarHBondContact O-CA 3.39Å; G276-F332 PolarHBondContact N-O 3.41Å; G276-F332 PolarHBondContact O-N 2.55Å; G276-V393 CarbonylContact C-O 3.46Å; G276-V393 VanDerWaalsContact CA-O 3.25Å; G276-V393 WeakPolarHBondContact CA-O 3.35Å
277A98.9Very high98.2Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122.3128.2174.800000111.3V292 F386 F392 V393 V394 Y395A277-V292 HydrophobicContact CB-CG2 4.4Å; A277-F386 HydrophobicContact CB-CE2 3.8Å; A277-F386 HydrophobicContact CB-CZ 3.84Å; A277-F392 HydrophobicContact CB-CE2 4.13Å; A277-F392 HydrophobicContact CB-CZ 3.68Å; A277-V393 PolarHBondContact N-O 3.37Å; A277-V394 CarbonylContact O-C 3.35Å; A277-V394 WeakPolarHBondContact O-CA 3.49Å; A277-Y395 PolarHBondContact O-N 3.02Å
278K98.9Very high97.9Very high0 Ų033.5 Ų33.50%019%0.194CC..EExtended strand (participates in β ladder)trans-86.6136.2170.4-169.6-178.1-76-169.60109.8D261 F264 I328 N330 Y395 V397 E402D261-K278 IonicContact OD2-NZ 3.55Å; D261-K278 PolarHBondContact OD2-NZ 2.87Å; F264-K278 VanDerWaalsContact CB-CE 3.47Å; F264-K278 HydrophobicContact CD2-CB 4.45Å; F264-K278 HydrophobicContact CE1-CB 4.26Å; F264-K278 HydrophobicContact CE2-CB 4.2Å; F264-K278 HydrophobicContact CZ-CB 4.1Å; K278-I328 HydrophobicContact CB-CD1 4.43Å; K278-I328 HydrophobicContact CB-CG1 4.46Å; K278-I328 HydrophobicContact CD-CD1 3.94Å; K278-I328 HydrophobicContact CG-CD1 3.96Å; K278-I328 HydrophobicContact CG-CG1 4.44Å; K278-I328 VanDerWaalsContact O-CG1 3.3Å; K278-I328 WeakPolarHBondContact O-CG1 3.47Å; K278-N330 HydrophobicContact CB-CB 3.87Å; K278-N330 HydrophobicContact CD-CB 4.37Å; K278-N330 PolarHBondContact N-O 3.48Å; K278-Y395 CarbonylContact C-O 3.45Å; K278-Y395 VanDerWaalsContact CA-O 3.29Å; K278-Y395 WeakPolarHBondContact CA-O 3.28Å; K278-Y395 HydrophobicContact CG-CD1 4.36Å; K278-V397 HydrophobicContact CD-CG1 4.03Å; K278-V397 HydrophobicContact CD-CG2 3.99Å; K278-V397 HydrophobicContact CG-CG1 4.09Å; K278-V397 HydrophobicContact CG-CG2 4Å; K278-E402 WeakPolarHBondContact CD-OE2 3.37Å; K278-E402 IonicContact NZ-OE2 3.4Å; K278-E402 PolarHBondContact NZ-OE2 2.97Å
279V98.9Very high97.7Very high2 Ų234.1 Ų34.11%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-134.7158.1-175.9-600000111.5V292 A325 G326 V394 Y395 E396 V397V279-V292 HydrophobicContact CG1-CB 4.4Å; V279-V292 HydrophobicContact CG1-CG2 3.56Å; V279-A325 HydrophobicContact CB-CB 4.47Å; V279-A325 HydrophobicContact CG1-CB 4.29Å; V279-A325 HydrophobicContact CG2-CB 4.29Å; V279-G326 CarbonylContact C-O 3.56Å; V279-G326 WeakPolarHBondContact CA-O 3.46Å; V279-G326 VanDerWaalsContact CB-O 3.27Å; V279-G326 WeakPolarHBondContact CB-O 3.33Å; V279-V394 HydrophobicContact CB-CG1 4.38Å; V279-V394 HydrophobicContact CG1-CG1 3.91Å; V279-V394 HydrophobicContact CG2-CG1 3.51Å; V279-Y395 PolarHBondContact N-O 3.2Å; V279-E396 HydrophobicContact CG2-CB 4.07Å; V279-E396 WeakPolarHBondContact O-CA 3.22Å; V279-V397 PolarHBondContact O-N 3.38Å
280V98.8Very high97.6Very high1 Ų132.5 Ų32.51%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-115.1157.5163.9-61.80000109.3K282 G326 I328 V397 R399 F403V280-K282 PolarHBondContact O-N 2.69Å; V280-K282 VanDerWaalsContact O-N 3.11Å; V280-G326 PolarHBondContact N-O 3.18Å; V280-G326 WeakPolarHBondContact O-CA 3.19Å; V280-G326 PolarHBondContact O-N 3.18Å; V280-I328 HydrophobicContact CB-CG2 4.2Å; V280-I328 HydrophobicContact CG1-CD1 4.36Å; V280-I328 HydrophobicContact CG1-CG2 3.79Å; V280-I328 HydrophobicContact CG2-CG2 3.59Å; V280-V397 HydrophobicContact CG1-CG2 3.98Å; V280-R399 HydrophobicContact CB-CB 4.23Å; V280-R399 HydrophobicContact CG1-CB 4.02Å; V280-F403 HydrophobicContact CG1-CB 3.95Å; V280-F403 HydrophobicContact CG2-CD1 4.16Å
281E98.6Very high97.6Very high48 Ų4828.2 Ų28.222%0.22417%0.169CC..EExtended strand (participates in β ladder)trans-64.6115.7173.1-175.4173.2-155.500110.7T283 R320 N324 R399E281-T283 HydrophobicContact CG-CG2 3.91Å; E281-T283 PolarHBondContact O-N 3.41Å; E281-R320 WeakPolarHBondContact OE1-CD 3.34Å; E281-R320 IonicContact OE1-CZ 3.28Å; E281-R320 IonicContact OE1-NE 3.99Å; E281-R320 IonicContact OE1-NH1 3.8Å; E281-R320 PolarHBondContact OE1-NH1 3.16Å; E281-R320 IonicContact OE2-NH1 3.74Å; E281-R320 PolarHBondContact OE2-NH1 3.45Å; E281-N324 WeakPolarHBondContact CA-O 3.47Å; E281-N324 HydrophobicContact CG-CB 4.27Å; E281-R399 PolarHBondContact O-NH2 3.42Å
282K98.2Very high97.6Very high3 Ų323.9 Ų23.91%0.01315%0.151CC..  trans-76.4114.4166.8-177.8-177.9-179.2173.80108.8V280 N284 P285 E287 V289 V291 L321 N324V280-K282 PolarHBondContact O-N 2.69Å; V280-K282 VanDerWaalsContact O-N 3.11Å; K282-N284 WeakPolarHBondContact CE-O 3.4Å; K282-P285 WeakPolarHBondContact CE-O 3.29Å; K282-P285 PolarHBondContact NZ-O 3.45Å; K282-E287 HydrophobicContact CG-CB 4.33Å; K282-V289 HydrophobicContact CB-CG2 4.47Å; K282-V289 HydrophobicContact CD-CG2 4.01Å; K282-V289 HydrophobicContact CG-CG2 4.21Å; K282-V291 HydrophobicContact CD-CG1 3.79Å; K282-L321 HydrophobicContact CG-CD1 4.19Å; K282-L321 WeakPolarHBondContact O-CD1 3.4Å; K282-N324 PolarHBondContact N-O 2.85Å
283T96.7Very high97.5Very high82 Ų8221.4 Ų21.450%0.50313%0.125SC..  trans-107.1-26.9-178.457.10000112.8E281E281-T283 HydrophobicContact CG-CG2 3.91Å; E281-T283 PolarHBondContact O-N 3.41Å
284N96.8Very high97.5Very high61 Ų6124.6 Ų24.633%0.32614%0.136SC..SBendtrans-99.5121.3175.8-178.6-4.9000110.2K282 T286 E287K282-N284 WeakPolarHBondContact CE-O 3.4Å; N284-T286 PolarHBondContact O-N 3.32Å; N284-T286 VanDerWaalsContact O-N 3.08Å; N284-T286 PolarHBondContact OD1-N 3.45Å; N284-T286 VanDerWaalsContact OD1-N 3.15Å; N284-T286 PolarHBondContact OD1-OG1 3.12Å; N284-E287 HydrophobicContact CB-CB 4.29Å; N284-E287 WeakPolarHBondContact O-CB 3.29Å; N284-E287 PolarHBondContact O-N 3.27Å; N284-E287 VanDerWaalsContact O-N 3.08Å
285P96.8Very high97.3Very high22 Ų2224 Ų2414%0.14313%0.133CC..THydrogen-bonded Turntrans-49.6-37.1178.5-3136.1000114.7K282 A312 Q313 L321K282-P285 WeakPolarHBondContact CE-O 3.29Å; K282-P285 PolarHBondContact NZ-O 3.45Å; P285-A312 HydrophobicContact CB-CB 4.46Å; P285-A312 WeakPolarHBondContact CB-O 3.27Å; P285-Q313 HydrophobicContact CB-CG 3.74Å; P285-Q313 HydrophobicContact CG-CG 3.96Å; P285-L321 HydrophobicContact CG-CD1 4.26Å; P285-L321 HydrophobicContact CG-CD2 3.99Å
286T95.8Very high97Very high96 Ų9629 Ų2959%0.58916%0.159SC*.THydrogen-bonded Turntrans-99.813.2-174.859.80000113.9N284 L309N284-T286 PolarHBondContact O-N 3.32Å; N284-T286 VanDerWaalsContact O-N 3.08Å; N284-T286 PolarHBondContact OD1-N 3.45Å; N284-T286 VanDerWaalsContact OD1-N 3.15Å; N284-T286 PolarHBondContact OD1-OG1 3.12Å; T286-L309 HydrophobicContact CG2-CD1 4.08Å
287E94.4Very high96.8Very high28 Ų2831.2 Ų31.213%0.13118%0.183CC..  trans-60.1128.3168.6-171.8176.6-172.700109.7K282 N284 V289 R399K282-E287 HydrophobicContact CG-CB 4.33Å; N284-E287 HydrophobicContact CB-CB 4.29Å; N284-E287 WeakPolarHBondContact O-CB 3.29Å; N284-E287 PolarHBondContact O-N 3.27Å; N284-E287 VanDerWaalsContact O-N 3.08Å; E287-V289 HydrophobicContact CB-CG2 4.33Å; E287-V289 HydrophobicContact CG-CG1 4.2Å; E287-V289 HydrophobicContact CG-CG2 3.95Å; E287-V289 PolarHBondContact O-N 3.17Å; E287-R399 IonicContact OE1-CZ 3.71Å; E287-R399 IonicContact OE1-NH1 2.68Å; E287-R399 PolarHBondContact OE1-NH1 2.91Å; E287-R399 IonicContact OE1-NH2 2.78Å; E287-R399 PolarHBondContact OE1-NH2 3.08Å; E287-R399 IonicContact OE2-NH1 3.86Å; E287-R399 IonicContact OE2-NH2 3.67Å; E287-R399 PolarHBondContact OE2-NH2 3.34Å
288P93.6Very high96.7Very high68 Ų6834 Ų3444%0.44220%0.2SC..SBendtrans-8059-174.335-37.4000111.6Y304P288-Y304 HydrophobicContact CB-CD1 4.19Å; P288-Y304 HydrophobicContact CB-CD2 3.99Å; P288-Y304 HydrophobicContact CB-CE1 4.29Å; P288-Y304 HydrophobicContact CB-CE2 4.12Å; P288-Y304 HydrophobicContact CB-CG 4.04Å; P288-Y304 WeakPolarHBondContact O-CD1 3.38Å
289V94.9Very high96.7Very high12 Ų1235.7 Ų35.77%0.07321%0.206CC..  trans-123.8134172.8-64.20000108.9K282 E287 F403K282-V289 HydrophobicContact CB-CG2 4.47Å; K282-V289 HydrophobicContact CD-CG2 4.01Å; K282-V289 HydrophobicContact CG-CG2 4.21Å; E287-V289 HydrophobicContact CB-CG2 4.33Å; E287-V289 HydrophobicContact CG-CG1 4.2Å; E287-V289 HydrophobicContact CG-CG2 3.95Å; E287-V289 PolarHBondContact O-N 3.17Å; V289-F403 HydrophobicContact CG1-CE1 4.29Å; V289-F403 HydrophobicContact CG1-CZ 4.35Å
290G96.4Very high96.6Very high1 Ų137.6 Ų37.61%0.0122%0.215CC..  trans-60.4151.7169.200000110.9V302 E303 N327G290-V302 CarbonylContact C-O 3.09Å; G290-V302 VanDerWaalsContact CA-O 3.28Å; G290-V302 WeakPolarHBondContact CA-O 3.28Å; G290-E303 PolarHBondContact N-OE2 3.36Å; G290-N327 WeakPolarHBondContact O-CB 3.31Å; G290-N327 PolarHBondContact O-N 2.87Å
291V98.2Very high96.5Very high1 Ų138 Ų381%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-108.5126.7-180-64.90000110.5M69 K282 V301 V302 I307 F323 A325M69-V291 HydrophobicContact CE-CG2 3.9Å; K282-V291 HydrophobicContact CD-CG1 3.79Å; V291-V301 WeakPolarHBondContact O-CA 3.29Å; V291-V302 HydrophobicContact CG2-CB 4.28Å; V291-V302 PolarHBondContact N-O 3.23Å; V291-V302 PolarHBondContact O-N 2.96Å; V291-I307 HydrophobicContact CG2-CD1 3.77Å; V291-F323 HydrophobicContact CB-CB 4.31Å; V291-F323 HydrophobicContact CG1-CB 4.37Å; V291-F323 HydrophobicContact CG2-CB 4.24Å; V291-A325 WeakPolarHBondContact CA-O 3.22Å
292V98.6Very high96.3Very high1 Ų136 Ų361%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-71.1129.6171.2-172.70000108V72 A277 V279 V301 A325 N327 F392 V394V72-V292 HydrophobicContact CG2-CB 4.19Å; V72-V292 HydrophobicContact CG2-CG1 3.88Å; V72-V292 WeakPolarHBondContact CG2-O 3.34Å; A277-V292 HydrophobicContact CB-CG2 4.4Å; V279-V292 HydrophobicContact CG1-CB 4.4Å; V279-V292 HydrophobicContact CG1-CG2 3.56Å; V292-V301 HydrophobicContact CG2-CG2 4.12Å; V292-A325 HydrophobicContact CB-CB 4.04Å; V292-A325 PolarHBondContact N-O 3.44Å; V292-N327 HydrophobicContact CG2-CB 4.27Å; V292-F392 HydrophobicContact CG1-CE1 3.91Å; V292-F392 HydrophobicContact CG1-CZ 4.02Å; V292-V394 HydrophobicContact CG1-CG2 3.98Å
293C98.2Very high96Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-152.4-178.3-178.166.40000110.8M69 E70 Y299 Q300 F323M69-C293 HydrophobicContact CE-CB 4.22Å; E70-C293 WeakPolarHBondContact O-CB 3.3Å; C293-Y299 WeakPolarHBondContact O-CA 3.43Å; C293-Q300 PolarHBondContact N-O 3.5Å; C293-Q300 PolarHBondContact O-N 3.17Å; C293-F323 HydrophobicContact CB-CD1 4.16Å; C293-F323 HydrophobicContact CB-CE1 4.26Å
294R97.4Very high95.6Very high73 Ų7338.8 Ų38.828%0.27521%0.212SC..EExtended strand (participates in β ladder)trans-120.6137.1171.6-169.7173.571.7179.90109.6E70 V298 Y299E70-R294 HydrophobicContact CB-CB 4.38Å; E70-R294 PolarHBondContact N-O 3.43Å; E70-R294 PolarHBondContact O-N 3.02Å; E70-R294 IonicContact OE2-CZ 2.69Å; E70-R294 VanDerWaalsContact OE2-CZ 3.29Å; E70-R294 IonicContact OE2-NE 2.64Å; E70-R294 PolarHBondContact OE2-NE 2.88Å; E70-R294 IonicContact OE2-NH2 3.07Å; E70-R294 PolarHBondContact OE2-NH2 2.84Å; R294-V298 CarbonylContact C-O 3.5Å; R294-V298 VanDerWaalsContact CA-O 3.28Å; R294-V298 WeakPolarHBondContact CA-O 3.35Å; R294-V298 WeakPolarHBondContact CG-O 3.45Å; R294-Y299 HydrophobicContact CB-CD1 4.35Å; R294-Y299 HydrophobicContact CB-CE1 4.41Å
295V94.7Very high95Very high4 Ų440 Ų402%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-131.3128.2173.1174.40000107.3V65 R68 M69 G297 V298 Q300V65-V295 HydrophobicContact CG1-CG2 4.25Å; R68-V295 HydrophobicContact CB-CG1 4.01Å; M69-V295 HydrophobicContact CB-CG2 4.43Å; M69-V295 HydrophobicContact CG-CG2 3.8Å; V295-G297 PolarHBondContact O-N 3.44Å; V295-V298 PolarHBondContact N-O 3.17Å; V295-V298 WeakPolarHBondContact O-CG2 3.39Å; V295-V298 PolarHBondContact O-N 3.18Å; V295-Q300 HydrophobicContact CG2-CG 4.36Å
296D93.8Very high94.5Very high105 Ų10541.4 Ų41.456%0.56123%0.23SC*.THydrogen-bonded Turntrans49.335.4-177.1-48-49.5000114.4R68 V298R68-D296 WeakPolarHBondContact CD-OD1 3.28Å; R68-D296 IonicContact CZ-OD1 2.88Å; R68-D296 IonicContact CZ-OD2 2.72Å; R68-D296 VanDerWaalsContact CZ-OD2 3.26Å; R68-D296 VanDerWaalsContact NH1-CG 3.27Å; R68-D296 IonicContact NH1-OD1 2.72Å; R68-D296 PolarHBondContact NH1-OD1 3.2Å; R68-D296 IonicContact NH1-OD2 2.79Å; R68-D296 PolarHBondContact NH1-OD2 2.98Å; R68-D296 IonicContact NH2-OD2 2.7Å; D296-V298 VanDerWaalsContact C-N 3.31Å; D296-V298 PolarHBondContact O-N 2.86Å
297G94.6Very high94.2Very high48 Ų4837.9 Ų37.950%0.49521%0.207SC..THydrogen-bonded Turntrans83.5-7.4-17900000115.7V295V295-G297 PolarHBondContact O-N 3.44Å
298V96.6Very high94.1Very high59 Ų5938.7 Ų38.736%0.35822%0.216SC..EExtended strand (participates in β ladder)trans-102.1141.3177.9-62.10000112.4R294 V295 D296 Q387R294-V298 CarbonylContact C-O 3.5Å; R294-V298 VanDerWaalsContact CA-O 3.28Å; R294-V298 WeakPolarHBondContact CA-O 3.35Å; R294-V298 WeakPolarHBondContact CG-O 3.45Å; V295-V298 PolarHBondContact N-O 3.17Å; V295-V298 WeakPolarHBondContact O-CG2 3.39Å; V295-V298 PolarHBondContact O-N 3.18Å; D296-V298 VanDerWaalsContact C-N 3.31Å; D296-V298 PolarHBondContact O-N 2.86Å; V298-Q387 HydrophobicContact CB-CB 4.24Å; V298-Q387 HydrophobicContact CG2-CB 4.42Å
299Y98.3Very high94.1Very high35 Ų3540 Ų4014%0.13722%0.219CC..EExtended strand (participates in β ladder)trans-82.7138.6179.5-67-78.9000111.4P73 V76 C293 R294 F386 Q387 F392P73-Y299 HydrophobicContact CG-CE1 4.36Å; P73-Y299 VanDerWaalsContact CG-OH 3.29Å; P73-Y299 WeakPolarHBondContact CG-OH 3.27Å; V76-Y299 WeakPolarHBondContact CG1-OH 3.41Å; V76-Y299 HydrophobicContact CG2-CE1 4Å; V76-Y299 WeakPolarHBondContact CG2-OH 3.21Å; C293-Y299 WeakPolarHBondContact O-CA 3.43Å; R294-Y299 HydrophobicContact CB-CD1 4.35Å; R294-Y299 HydrophobicContact CB-CE1 4.41Å; Y299-F386 CarbonylContact O-C 3.59Å; Y299-F386 WeakPolarHBondContact O-CB 3.23Å; Y299-Q387 WeakPolarHBondContact O-CA 3.43Å; Y299-Q387 PolarHBondContact O-N 3.2Å; Y299-Q387 VanDerWaalsContact O-N 3.09Å; Y299-F392 AromaticContact CD1-CD1 3.56Å; Y299-F392 HydrophobicContact CD1-CD1 3.56Å; Y299-F392 AromaticContact CD1-CE1 3.9Å; Y299-F392 HydrophobicContact CD1-CE1 3.9Å; Y299-F392 HydrophobicContact CD2-CB 3.59Å; Y299-F392 AromaticContact CD2-CD1 3.73Å; Y299-F392 HydrophobicContact CD2-CD1 3.73Å; Y299-F392 AromaticContact CD2-CG 3.95Å; Y299-F392 HydrophobicContact CD2-CG 3.95Å; Y299-F392 HydrophobicContact CE1-CD1 4.11Å; Y299-F392 HydrophobicContact CE2-CB 4.08Å; Y299-F392 HydrophobicContact CE2-CD1 4.26Å; Y299-F392 HydrophobicContact CG-CB 4.07Å; Y299-F392 AromaticContact CG-CD1 3.34Å; Y299-F392 HydrophobicContact CG-CD1 3.34Å; Y299-F392 AromaticContact CG-CE1 3.95Å; Y299-F392 HydrophobicContact CG-CE1 3.95Å; Y299-F392 AromaticContact CG-CG 3.88Å; Y299-F392 HydrophobicContact CG-CG 3.88Å
300Q96.8Very high94.2Very high41 Ų4142.7 Ų42.719%0.19224%0.242CC..EExtended strand (participates in β ladder)trans-157171.4179.859-175.939.800111C293 V295C293-Q300 PolarHBondContact N-O 3.5Å; C293-Q300 PolarHBondContact O-N 3.17Å; V295-Q300 HydrophobicContact CG2-CG 4.36Å
301V97.7Very high94.1Very high9 Ų942.9 Ų42.96%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-109127.5167.7-179.40000107.8V291 V292 N327 F383 F386V291-V301 WeakPolarHBondContact O-CA 3.29Å; V292-V301 HydrophobicContact CG2-CG2 4.12Å; V301-N327 HydrophobicContact CG1-CB 4.17Å; V301-N327 HydrophobicContact CG2-CB 4.48Å; V301-F383 HydrophobicContact CB-CB 4.26Å; V301-F383 HydrophobicContact CB-CD1 4.26Å; V301-F383 HydrophobicContact CB-CD2 3.52Å; V301-F383 HydrophobicContact CB-CE2 3.85Å; V301-F383 HydrophobicContact CB-CG 3.73Å; V301-F383 HydrophobicContact CB-CZ 4.36Å; V301-F383 HydrophobicContact CG1-CD1 4.39Å; V301-F383 HydrophobicContact CG1-CD2 4.27Å; V301-F383 HydrophobicContact CG1-CE1 4.34Å; V301-F383 HydrophobicContact CG1-CE2 4.2Å; V301-F383 HydrophobicContact CG1-CG 4.35Å; V301-F383 HydrophobicContact CG1-CZ 4.24Å; V301-F383 HydrophobicContact CG2-CB 3.71Å; V301-F383 HydrophobicContact CG2-CD1 4.25Å; V301-F383 HydrophobicContact CG2-CD2 3.97Å; V301-F383 HydrophobicContact CG2-CG 3.7Å; V301-F386 HydrophobicContact CG2-CD2 3.94Å; V301-F386 HydrophobicContact CG2-CE2 3.61Å
302V94.8Very high94.1Very high7 Ų743.2 Ų43.24%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-94.7117.8167.7176.80000107.2V65 M69 G290 V291 E306 I307V65-V302 HydrophobicContact CG1-CG2 4.25Å; M69-V302 HydrophobicContact CE-CB 3.94Å; M69-V302 HydrophobicContact CE-CG1 4.33Å; M69-V302 HydrophobicContact CE-CG2 3.83Å; M69-V302 HydrophobicContact CG-CG2 4.37Å; M69-V302 HydrophobicContact SD-CB 4.36Å; M69-V302 HydrophobicContact SD-CG1 4.29Å; M69-V302 HydrophobicContact SD-CG2 3.93Å; G290-V302 CarbonylContact C-O 3.09Å; G290-V302 VanDerWaalsContact CA-O 3.28Å; G290-V302 WeakPolarHBondContact CA-O 3.28Å; V291-V302 HydrophobicContact CG2-CB 4.28Å; V291-V302 PolarHBondContact N-O 3.23Å; V291-V302 PolarHBondContact O-N 2.96Å; V302-E306 HydrophobicContact CG1-CB 4.32Å; V302-I307 HydrophobicContact CG1-CB 4.04Å
303E91.6Very high94Very high25 Ų2548.1 Ų48.112%0.11727%0.269CS..  trans-66.9153.4-176.3-93.1-62.9178.800112.9G290 S305 E306 I307 F381 F383G290-E303 PolarHBondContact N-OE2 3.36Å; E303-S305 PolarHBondContact O-N 2.95Å; E303-S305 VanDerWaalsContact O-N 3.15Å; E303-E306 HydrophobicContact CB-CB 4.47Å; E303-E306 HydrophobicContact CB-CG 4.4Å; E303-E306 WeakPolarHBondContact O-CA 3.38Å; E303-E306 PolarHBondContact O-N 3.46Å; E303-I307 PolarHBondContact O-N 3.09Å; E303-I307 VanDerWaalsContact O-N 3.1Å; E303-F381 HydrophobicContact CB-CE2 4.46Å; E303-F381 HydrophobicContact CG-CD2 4.13Å; E303-F381 HydrophobicContact CG-CE2 3.77Å; E303-F381 HydrophobicContact CG-CZ 4.32Å; E303-F383 HydrophobicContact CG-CE1 4.42Å; E303-F383 HydrophobicContact CG-CE2 4.27Å; E303-F383 HydrophobicContact CG-CZ 3.54Å; E303-F383 VanDerWaalsContact OE1-CE1 3.28Å; E303-F383 WeakPolarHBondContact OE1-CE1 3.41Å; E303-F383 VanDerWaalsContact OE1-CZ 3.23Å; E303-F383 WeakPolarHBondContact OE1-CZ 3.48Å
304Y87.6Confident94Very high118 Ų11852.5 Ų52.546%0.46329%0.288SS..THydrogen-bonded Turntrans-62.1-27-176.769.4-93.5000113P288 E306P288-Y304 HydrophobicContact CB-CD1 4.19Å; P288-Y304 HydrophobicContact CB-CD2 3.99Å; P288-Y304 HydrophobicContact CB-CE1 4.29Å; P288-Y304 HydrophobicContact CB-CE2 4.12Å; P288-Y304 HydrophobicContact CB-CG 4.04Å; P288-Y304 WeakPolarHBondContact O-CD1 3.38Å; Y304-E306 VanDerWaalsContact C-N 3.26Å
305S84.2Confident94Very high86 Ų8655.9 Ų55.960%0.60130%0.3SS*.THydrogen-bonded Turntrans-80.6-6.9175.949.30000113.4E303E303-S305 PolarHBondContact O-N 2.95Å; E303-S305 VanDerWaalsContact O-N 3.15Å
306E85.9Confident94.1Very high52 Ų5257.5 Ų57.524%0.24331%0.312CS..THydrogen-bonded Turntrans-116.2-11.6-174.8-69.1173.6-167.600112.8Q62 V302 E303 Y304 H352Q62-E306 VanDerWaalsContact NE2-CA 3.31Å; Q62-E306 VanDerWaalsContact NE2-CB 3.34Å; Q62-E306 PolarHBondContact NE2-O 3.35Å; V302-E306 HydrophobicContact CG1-CB 4.32Å; E303-E306 HydrophobicContact CB-CB 4.47Å; E303-E306 HydrophobicContact CB-CG 4.4Å; E303-E306 WeakPolarHBondContact O-CA 3.38Å; E303-E306 PolarHBondContact O-N 3.46Å; Y304-E306 VanDerWaalsContact C-N 3.26Å; E306-H352 IonicContact OE1-CE1 2.85Å; E306-H352 IonicContact OE1-CG 3.38Å; E306-H352 IonicContact OE1-ND1 2.84Å; E306-H352 PolarHBondContact OE1-ND1 3.05Å; E306-H352 IonicContact OE2-CE1 3.58Å; E306-H352 IonicContact OE2-ND1 3.85Å
307I89.5Confident94.2Very high22 Ų2259.1 Ų59.111%0.11333%0.331CS..SBendtrans-86.7135.7175.9-167.3169.4000111.6M69 V291 V302 E303 T311 A312M69-I307 HydrophobicContact CE-CD1 4.13Å; V291-I307 HydrophobicContact CG2-CD1 3.77Å; V302-I307 HydrophobicContact CG1-CB 4.04Å; E303-I307 PolarHBondContact O-N 3.09Å; E303-I307 VanDerWaalsContact O-N 3.1Å; I307-T311 HydrophobicContact CD1-CG2 4.06Å; I307-T311 HydrophobicContact CG1-CG2 4.08Å; I307-A312 HydrophobicContact CD1-CB 4.19Å; I307-A312 HydrophobicContact CG1-CB 4.36Å; I307-A312 HydrophobicContact CG2-CB 4.37Å
308S93.1Very high94.3Very high45 Ų4561 Ų6132%0.31533%0.33SS..  trans-71151.2173.678.10000112.1D66 A310 T311 A312D66-S308 WeakPolarHBondContact OD2-CB 3.49Å; D66-S308 PolarHBondContact OD2-N 3.43Å; D66-S308 VanDerWaalsContact OD2-N 3.15Å; D66-S308 PolarHBondContact OD2-OG 2.87Å; S308-A310 PolarHBondContact O-N 2.92Å; S308-T311 PolarHBondContact O-N 3.43Å; S308-T311 PolarHBondContact OG-N 3.07Å; S308-T311 PolarHBondContact OG-OG1 3.47Å; S308-A312 WeakPolarHBondContact O-CB 3.41Å; S308-A312 PolarHBondContact O-N 3.07Å
309L94.3Very high94.3Very high97 Ų9760 Ų6051%0.50833%0.332SS..Hα-helixtrans-59.4-37.6176.9-176.362.4000112.1T286 T311 A312 Q313T286-L309 HydrophobicContact CG2-CD1 4.08Å; L309-T311 PolarHBondContact O-N 3.34Å; L309-A312 PolarHBondContact O-N 3.43Å; L309-Q313 HydrophobicContact CD1-CG 3.99Å; L309-Q313 HydrophobicContact CG-CG 4.31Å; L309-Q313 WeakPolarHBondContact O-CB 3.34Å; L309-Q313 VanDerWaalsContact O-CG 3.29Å; L309-Q313 WeakPolarHBondContact O-CG 3.38Å; L309-Q313 PolarHBondContact O-N 3.29Å
310A95.4Very high94.3Very high67 Ų6763.9 Ų63.955%0.55435%0.346SS*.Hα-helixtrans-60.1-47.1177.900000111.1S308 Q313 K314S308-A310 PolarHBondContact O-N 2.92Å; A310-Q313 PolarHBondContact O-N 3.19Å; A310-K314 WeakPolarHBondContact O-CG 3.18Å; A310-K314 PolarHBondContact O-N 2.94Å
311T96Very high94.4Very high5 Ų562.1 Ų62.13%0.03134%0.338CS..Hα-helixtrans-67.7-43177.2-600000111.7D66 M69 I307 S308 L309 Q313 K314 F323D66-T311 WeakPolarHBondContact OD2-CB 3.41Å; D66-T311 PolarHBondContact OD2-OG1 2.88Å; M69-T311 HydrophobicContact CE-CG2 4.34Å; M69-T311 HydrophobicContact SD-CG2 4.12Å; I307-T311 HydrophobicContact CD1-CG2 4.06Å; I307-T311 HydrophobicContact CG1-CG2 4.08Å; S308-T311 PolarHBondContact O-N 3.43Å; S308-T311 PolarHBondContact OG-N 3.07Å; S308-T311 PolarHBondContact OG-OG1 3.47Å; L309-T311 PolarHBondContact O-N 3.34Å; T311-Q313 PolarHBondContact O-N 3.05Å; T311-K314 WeakPolarHBondContact O-CB 3.22Å; T311-K314 PolarHBondContact O-N 2.69Å; T311-K314 VanDerWaalsContact O-N 3.15Å; T311-F323 HydrophobicContact CG2-CD2 3.67Å; T311-F323 HydrophobicContact CG2-CE2 3.46Å; T311-F323 VanDerWaalsContact CG2-CE2 3.46Å; T311-F323 HydrophobicContact CG2-CZ 4.28Å
312A96.7Very high94.4Very high8 Ų864.3 Ų64.37%0.06635%0.349CS..Hα-helixtrans-62.7-26.9178.900000113.7P285 I307 S308 L309P285-A312 HydrophobicContact CB-CB 4.46Å; P285-A312 WeakPolarHBondContact CB-O 3.27Å; I307-A312 HydrophobicContact CD1-CB 4.19Å; I307-A312 HydrophobicContact CG1-CB 4.36Å; I307-A312 HydrophobicContact CG2-CB 4.37Å; S308-A312 WeakPolarHBondContact O-CB 3.41Å; S308-A312 PolarHBondContact O-N 3.07Å; L309-A312 PolarHBondContact O-N 3.43Å
313Q97.8Very high94.5Very high105 Ų10564.4 Ų64.449%0.49135%0.349SS..Hα-helixtrans-91.2-9.5178-71.3177.5-25.500114.1P285 L309 A310 T311 R315P285-Q313 HydrophobicContact CB-CG 3.74Å; P285-Q313 HydrophobicContact CG-CG 3.96Å; L309-Q313 HydrophobicContact CD1-CG 3.99Å; L309-Q313 HydrophobicContact CG-CG 4.31Å; L309-Q313 WeakPolarHBondContact O-CB 3.34Å; L309-Q313 VanDerWaalsContact O-CG 3.29Å; L309-Q313 WeakPolarHBondContact O-CG 3.38Å; L309-Q313 PolarHBondContact O-N 3.29Å; A310-Q313 PolarHBondContact O-N 3.19Å; T311-Q313 PolarHBondContact O-N 3.05Å; Q313-R315 PolarHBondContact O-N 2.89Å
314K97.4Very high94.9Very high92 Ų9264.9 Ų64.940%0.435%0.352SS..  trans-57.8136.8178.8-77.7174.5-173.91690109.9A310 T311 L321 L322 F323A310-K314 WeakPolarHBondContact O-CG 3.18Å; A310-K314 PolarHBondContact O-N 2.94Å; T311-K314 WeakPolarHBondContact O-CB 3.22Å; T311-K314 PolarHBondContact O-N 2.69Å; T311-K314 VanDerWaalsContact O-N 3.15Å; K314-L321 CarbonylContact O-C 3.51Å; K314-L321 WeakPolarHBondContact O-CA 3.31Å; K314-L322 HydrophobicContact CB-CB 4Å; K314-L322 HydrophobicContact CB-CD2 4.21Å; K314-L322 HydrophobicContact CD-CD2 4.22Å; K314-L322 PolarHBondContact O-N 3.46Å; K314-F323 HydrophobicContact CD-CE2 4.42Å
315R98.1Very high95.4Very high144 Ų14459.5 Ų59.554%0.54333%0.333SS..BIsolated β-bridgetrans-118.1146.3177.1-70.1-177.2-178.4-80.5-4.5111.2Q313 G319 R320 L321Q313-R315 PolarHBondContact O-N 2.89Å; R315-G319 WeakPolarHBondContact CD-O 3.32Å; R315-G319 PolarHBondContact NH1-O 3.02Å; R315-R320 CarbonylContact C-O 3.56Å; R315-R320 WeakPolarHBondContact CA-O 3.47Å; R315-R320 VanDerWaalsContact CB-O 3.27Å; R315-R320 WeakPolarHBondContact CB-O 3.45Å; R315-R320 WeakPolarHBondContact CG-O 3.27Å; R315-L321 HydrophobicContact CG-CD2 4.06Å
316S96.3Very high96.1Very high38 Ų3855.4 Ų55.427%0.26630%0.304SS..  trans-77170.3167.539.50000110.9D318 G319 R320S316-D318 WeakPolarHBondContact CB-OD1 3.4Å; S316-D318 PolarHBondContact O-N 3.38Å; S316-D318 PolarHBondContact OG-OD1 3.16Å; S316-G319 PolarHBondContact O-N 3.07Å; S316-R320 PolarHBondContact N-O 3.48Å; S316-R320 PolarHBondContact OG-O 2.99Å
317S96.5Very high96.7Very high138 Ų13853.6 Ų53.697%0.96530%0.296SS*.THydrogen-bonded Turntrans-62.8-20.9-179.453.60000114.2G319S317-G319 VanDerWaalsContact C-N 3.28Å
318D95.3Very high97.1Very high88 Ų8852.8 Ų52.847%0.47129%0.292SS..THydrogen-bonded Turntrans-85.82.9175.666.5-5.2000113.3S316 R320S316-D318 WeakPolarHBondContact CB-OD1 3.4Å; S316-D318 PolarHBondContact O-N 3.38Å; S316-D318 PolarHBondContact OG-OD1 3.16Å; D318-R320 VanDerWaalsContact C-N 3.32Å; D318-R320 PolarHBondContact O-N 3.16Å; D318-R320 PolarHBondContact OD1-N 3.41Å; D318-R320 VanDerWaalsContact OD1-N 3.14Å; D318-R320 WeakPolarHBondContact OD2-CD 3.3Å; D318-R320 IonicContact OD2-NE 2.82Å
319G97.3Very high97.4Very high39 Ų3951.7 Ų51.740%0.40229%0.285SS..SBendtrans84.9-7177.700000115R315 S316 S317R315-G319 WeakPolarHBondContact CD-O 3.32Å; R315-G319 PolarHBondContact NH1-O 3.02Å; S316-G319 PolarHBondContact O-N 3.07Å; S317-G319 VanDerWaalsContact C-N 3.28Å
320R97.9Very high97.6Very high116 Ų11647.2 Ų47.244%0.43826%0.262SS..SBendtrans-72163.9173.5-62177.5-175.2-95.22.1110.8E281 R315 S316 D318E281-R320 WeakPolarHBondContact OE1-CD 3.34Å; E281-R320 IonicContact OE1-CZ 3.28Å; E281-R320 IonicContact OE1-NE 3.99Å; E281-R320 IonicContact OE1-NH1 3.8Å; E281-R320 PolarHBondContact OE1-NH1 3.16Å; E281-R320 IonicContact OE2-NH1 3.74Å; E281-R320 PolarHBondContact OE2-NH1 3.45Å; R315-R320 CarbonylContact C-O 3.56Å; R315-R320 WeakPolarHBondContact CA-O 3.47Å; R315-R320 VanDerWaalsContact CB-O 3.27Å; R315-R320 WeakPolarHBondContact CB-O 3.45Å; R315-R320 WeakPolarHBondContact CG-O 3.27Å; S316-R320 PolarHBondContact N-O 3.48Å; S316-R320 PolarHBondContact OG-O 2.99Å; D318-R320 VanDerWaalsContact C-N 3.32Å; D318-R320 PolarHBondContact O-N 3.16Å; D318-R320 PolarHBondContact OD1-N 3.41Å; D318-R320 VanDerWaalsContact OD1-N 3.14Å; D318-R320 WeakPolarHBondContact OD2-CD 3.3Å; D318-R320 IonicContact OD2-NE 2.82Å
321L98.4Very high97.7Very high3 Ų344 Ų442%0.01624%0.235CC..BIsolated β-bridgetrans-66.1138.5170.1-63.9-177000109K282 P285 K314 R315 F323 N324K282-L321 HydrophobicContact CG-CD1 4.19Å; K282-L321 WeakPolarHBondContact O-CD1 3.4Å; P285-L321 HydrophobicContact CG-CD1 4.26Å; P285-L321 HydrophobicContact CG-CD2 3.99Å; K314-L321 CarbonylContact O-C 3.51Å; K314-L321 WeakPolarHBondContact O-CA 3.31Å; R315-L321 HydrophobicContact CG-CD2 4.06Å; L321-F323 PolarHBondContact O-N 3.21Å; L321-N324 HydrophobicContact CB-CB 4.17Å; L321-N324 WeakPolarHBondContact O-CB 3.13Å
322L98.1Very high97.9Very high55 Ų5543.8 Ų43.829%0.28823%0.234SC..SBendtrans-62.3-38.1178-178.963000110.9P71 K314P71-L322 HydrophobicContact CB-CD1 4.33Å; P71-L322 HydrophobicContact CG-CD1 4.03Å; K314-L322 HydrophobicContact CB-CB 4Å; K314-L322 HydrophobicContact CB-CD2 4.21Å; K314-L322 HydrophobicContact CD-CD2 4.22Å; K314-L322 PolarHBondContact O-N 3.46Å
323F98.2Very high98Very high9 Ų943.4 Ų43.44%0.03923%0.231CC..SBendtrans-107.175.4174.7-60-78.5000109.5M69 V291 C293 T311 K314 L321M69-F323 HydrophobicContact CB-CE1 3.69Å; M69-F323 HydrophobicContact CB-CZ 3.57Å; M69-F323 HydrophobicContact CE-CD1 3.92Å; M69-F323 HydrophobicContact CE-CE1 3.95Å; M69-F323 HydrophobicContact CE-CG 4.28Å; M69-F323 HydrophobicContact CE-CZ 4.34Å; M69-F323 WeakPolarHBondContact O-CZ 3.34Å; V291-F323 HydrophobicContact CB-CB 4.31Å; V291-F323 HydrophobicContact CG1-CB 4.37Å; V291-F323 HydrophobicContact CG2-CB 4.24Å; C293-F323 HydrophobicContact CB-CD1 4.16Å; C293-F323 HydrophobicContact CB-CE1 4.26Å; T311-F323 HydrophobicContact CG2-CD2 3.67Å; T311-F323 HydrophobicContact CG2-CE2 3.46Å; T311-F323 VanDerWaalsContact CG2-CE2 3.46Å; T311-F323 HydrophobicContact CG2-CZ 4.28Å; K314-F323 HydrophobicContact CD-CE2 4.42Å; L321-F323 PolarHBondContact O-N 3.21Å
324N98.3Very high98Very high35 Ų3538.7 Ų38.719%0.18721%0.21CC..  trans-100.6-3.9-176.168.6-18.9000114.7E281 K282 L321 G326E281-N324 WeakPolarHBondContact CA-O 3.47Å; E281-N324 HydrophobicContact CG-CB 4.27Å; K282-N324 PolarHBondContact N-O 2.85Å; L321-N324 HydrophobicContact CB-CB 4.17Å; L321-N324 WeakPolarHBondContact O-CB 3.13Å; N324-G326 VanDerWaalsContact C-N 3.34Å; N324-G326 PolarHBondContact O-N 3.25Å
325A98.7Very high98.1Very high6 Ų634.5 Ų34.55%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-77.480.1179.400000111.1V72 V279 V291 V292 N327V72-A325 HydrophobicContact CG2-CB 4.23Å; V279-A325 HydrophobicContact CB-CB 4.47Å; V279-A325 HydrophobicContact CG1-CB 4.29Å; V279-A325 HydrophobicContact CG2-CB 4.29Å; V291-A325 WeakPolarHBondContact CA-O 3.22Å; V292-A325 HydrophobicContact CB-CB 4.04Å; V292-A325 PolarHBondContact N-O 3.44Å; A325-N327 PolarHBondContact O-N 3.45Å
326G98.6Very high98.2Very high0 Ų030.2 Ų30.20%018%0.182CC..EExtended strand (participates in β ladder)trans-73.3114.9-177.600000112V279 V280 N324 I328V279-G326 CarbonylContact C-O 3.56Å; V279-G326 WeakPolarHBondContact CA-O 3.46Å; V279-G326 VanDerWaalsContact CB-O 3.27Å; V279-G326 WeakPolarHBondContact CB-O 3.33Å; V280-G326 PolarHBondContact N-O 3.18Å; V280-G326 WeakPolarHBondContact O-CA 3.19Å; V280-G326 PolarHBondContact O-N 3.18Å; N324-G326 VanDerWaalsContact C-N 3.34Å; N324-G326 PolarHBondContact O-N 3.25Å; G326-I328 PolarHBondContact O-N 2.81Å
327N98.8Very high98.3Very high13 Ų1328.6 Ų28.67%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-65.5122.5177.617534.9000110.7G290 V292 V301 A325 A329 H331 F383G290-N327 WeakPolarHBondContact O-CB 3.31Å; G290-N327 PolarHBondContact O-N 2.87Å; V292-N327 HydrophobicContact CG2-CB 4.27Å; V301-N327 HydrophobicContact CG1-CB 4.17Å; V301-N327 HydrophobicContact CG2-CB 4.48Å; A325-N327 PolarHBondContact O-N 3.45Å; N327-A329 PolarHBondContact OD1-N 3.03Å; N327-H331 PolarHBondContact OD1-NE2 2.65Å; N327-H331 VanDerWaalsContact OD1-NE2 3.08Å; N327-F383 WeakPolarHBondContact ND2-CD1 3.44Å
328I98.5Very high98.4Very high5 Ų522.1 Ų22.13%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-104.517.717760.9160.2000113K278 V280 G326 N330 V397 F403K278-I328 HydrophobicContact CB-CD1 4.43Å; K278-I328 HydrophobicContact CB-CG1 4.46Å; K278-I328 HydrophobicContact CD-CD1 3.94Å; K278-I328 HydrophobicContact CG-CD1 3.96Å; K278-I328 HydrophobicContact CG-CG1 4.44Å; K278-I328 VanDerWaalsContact O-CG1 3.3Å; K278-I328 WeakPolarHBondContact O-CG1 3.47Å; V280-I328 HydrophobicContact CB-CG2 4.2Å; V280-I328 HydrophobicContact CG1-CD1 4.36Å; V280-I328 HydrophobicContact CG1-CG2 3.79Å; V280-I328 HydrophobicContact CG2-CG2 3.59Å; G326-I328 PolarHBondContact O-N 2.81Å; I328-N330 VanDerWaalsContact C-N 3.32Å; I328-N330 HydrophobicContact CD1-CB 4.39Å; I328-N330 HydrophobicContact CG1-CB 4.25Å; I328-N330 PolarHBondContact O-N 3.3Å; I328-N330 PolarHBondContact O-ND2 2.84Å; I328-V397 HydrophobicContact CD1-CG2 4.39Å; I328-F403 HydrophobicContact CB-CD2 3.56Å; I328-F403 HydrophobicContact CB-CE2 3.75Å; I328-F403 HydrophobicContact CB-CG 4.05Å; I328-F403 HydrophobicContact CB-CZ 4.37Å; I328-F403 HydrophobicContact CD1-CB 4.49Å; I328-F403 HydrophobicContact CG2-CB 4.06Å; I328-F403 HydrophobicContact CG2-CD1 3.74Å; I328-F403 HydrophobicContact CG2-CD2 3.54Å; I328-F403 HydrophobicContact CG2-CE1 3.98Å; I328-F403 HydrophobicContact CG2-CE2 3.79Å; I328-F403 HydrophobicContact CG2-CG 3.5Å; I328-F403 VanDerWaalsContact CG2-CG 3.5Å; I328-F403 HydrophobicContact CG2-CZ 3.99Å
329A98.1Very high98.6Very high22 Ų2223.4 Ų23.418%0.18212%0.123CC..EExtended strand (participates in β ladder)trans53.645.9179.500000113.1Y250 C251 N327Y250-A329 VanDerWaalsContact CA-O 3.32Å; Y250-A329 WeakPolarHBondContact CA-O 3.28Å; C251-A329 HydrophobicContact CB-CB 3.88Å; C251-A329 PolarHBondContact N-O 3.22Å; N327-A329 PolarHBondContact OD1-N 3.03Å
330N98.8Very high98.6Very high3 Ų323.8 Ų23.82%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-127.3112.3172.9-81.3-104.3000107.8H248 V249 V257 K278 I328H248-N330 PolarHBondContact NE2-OD1 3.43Å; V249-N330 CarbonylContact O-C 3.35Å; V249-N330 WeakPolarHBondContact O-CA 3.28Å; V257-N330 VanDerWaalsContact CG2-OD1 3.3Å; V257-N330 WeakPolarHBondContact CG2-OD1 3.44Å; K278-N330 HydrophobicContact CB-CB 3.87Å; K278-N330 HydrophobicContact CD-CB 4.37Å; K278-N330 PolarHBondContact N-O 3.48Å; I328-N330 VanDerWaalsContact C-N 3.32Å; I328-N330 HydrophobicContact CD1-CB 4.39Å; I328-N330 HydrophobicContact CG1-CB 4.25Å; I328-N330 PolarHBondContact O-N 3.3Å; I328-N330 PolarHBondContact O-ND2 2.84Å
331H98.9Very high98.7Very high0 Ų018.3 Ų18.30%010%0.095CC..EExtended strand (participates in β ladder)trans-128.8148.9-169.7-48.7135.1000110.8H248 V249 G276 N327 F333 F386H248-H331 CarbonylContact C-O 3.56Å; H248-H331 WeakPolarHBondContact CA-O 3.43Å; V249-H331 HydrophobicContact CB-CB 4.35Å; V249-H331 PolarHBondContact N-O 3.2Å; V249-H331 PolarHBondContact O-N 2.9Å; G276-H331 CarbonylContact O-C 3.59Å; G276-H331 VanDerWaalsContact O-CA 3.28Å; G276-H331 WeakPolarHBondContact O-CA 3.39Å; N327-H331 PolarHBondContact OD1-NE2 2.65Å; N327-H331 VanDerWaalsContact OD1-NE2 3.08Å; H331-F333 HydrophobicContact CB-CE1 4.17Å; H331-F333 HydrophobicContact CB-CE2 4.09Å; H331-F333 HydrophobicContact CB-CZ 3.73Å; H331-F386 AromaticContact CD2-CZ 3.51Å; H331-F386 AromaticContact CG-CZ 3.93Å; H331-F386 AromaticContact NE2-CZ 3.65Å
332F98.9Very high98.7Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-110.2129172.4171.2-86.4000107.9S246 I247 F264 I265 C268 I269 A273 C275 G276 T334S246-F332 WeakPolarHBondContact OG-CE2 3.29Å; I247-F332 WeakPolarHBondContact O-CA 3.42Å; F264-F332 HydrophobicContact CE1-CB 3.76Å; F264-F332 HydrophobicContact CE2-CB 4.48Å; F264-F332 HydrophobicContact CZ-CB 3.68Å; I265-F332 HydrophobicContact CG1-CD2 4.44Å; I265-F332 HydrophobicContact CG2-CE2 4.33Å; C268-F332 HydrophobicContact CB-CB 4.35Å; C268-F332 HydrophobicContact CB-CD1 3.56Å; C268-F332 HydrophobicContact CB-CD2 3.86Å; C268-F332 HydrophobicContact CB-CE1 3.7Å; C268-F332 HydrophobicContact CB-CE2 3.96Å; C268-F332 HydrophobicContact CB-CG 3.65Å; C268-F332 HydrophobicContact CB-CZ 3.9Å; I269-F332 HydrophobicContact CD1-CE2 4.43Å; I269-F332 HydrophobicContact CD1-CZ 3.96Å; I269-F332 HydrophobicContact CG1-CE2 4.5Å; I269-F332 HydrophobicContact CG1-CZ 4.37Å; A273-F332 WeakPolarHBondContact O-CE1 3.29Å; C275-F332 CarbonylContact C-O 3.3Å; C275-F332 VanDerWaalsContact CA-O 3.27Å; C275-F332 WeakPolarHBondContact CA-O 3.32Å; G276-F332 PolarHBondContact N-O 3.41Å; G276-F332 PolarHBondContact O-N 2.55Å; F332-T334 HydrophobicContact CE1-CG2 3.76Å; F332-T334 HydrophobicContact CZ-CG2 4Å
333F98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-131.2142.8170.4-56.2-49000109.9I247 V249 C275 H331 F337 L338 I385 F386I247-F333 PolarHBondContact N-O 2.83Å; I247-F333 PolarHBondContact O-N 3.15Å; V249-F333 HydrophobicContact CB-CD2 4.42Å; V249-F333 HydrophobicContact CB-CE2 4.2Å; V249-F333 HydrophobicContact CG2-CD2 3.47Å; V249-F333 VanDerWaalsContact CG2-CD2 3.47Å; V249-F333 HydrophobicContact CG2-CE2 3.63Å; C275-F333 HydrophobicContact CB-CD1 4.3Å; C275-F333 WeakPolarHBondContact SG-CE1 3.35Å; H331-F333 HydrophobicContact CB-CE1 4.17Å; H331-F333 HydrophobicContact CB-CE2 4.09Å; H331-F333 HydrophobicContact CB-CZ 3.73Å; F333-F337 HydrophobicContact CB-CD1 4.2Å; F333-F337 AromaticContact CD1-CD1 3.83Å; F333-F337 HydrophobicContact CD1-CD1 3.83Å; F333-F337 AromaticContact CD1-CE1 3.69Å; F333-F337 HydrophobicContact CD1-CE1 3.69Å; F333-F337 HydrophobicContact CE1-CE1 4.09Å; F333-F337 HydrophobicContact CG-CD1 4.29Å; F333-F337 HydrophobicContact CG-CE1 4.47Å; F333-L338 HydrophobicContact CB-CD1 4.21Å; F333-L338 HydrophobicContact CB-CD2 4.08Å; F333-L338 HydrophobicContact CB-CG 3.85Å; F333-L338 HydrophobicContact CD2-CD2 3.79Å; F333-L338 HydrophobicContact CD2-CG 4.42Å; F333-L338 HydrophobicContact CG-CD2 4.11Å; F333-L338 HydrophobicContact CG-CG 4.43Å; F333-I385 HydrophobicContact CD1-CD1 4.21Å; F333-I385 HydrophobicContact CE1-CD1 3.74Å; F333-I385 HydrophobicContact CE1-CG1 4.22Å; F333-I385 HydrophobicContact CE2-CD1 4.09Å; F333-I385 HydrophobicContact CZ-CD1 3.69Å; F333-I385 HydrophobicContact CZ-CG1 4.16Å; F333-F386 HydrophobicContact CE1-CD1 4.24Å; F333-F386 AromaticContact CE1-CE1 3.86Å; F333-F386 HydrophobicContact CE1-CE1 3.86Å; F333-F386 HydrophobicContact CZ-CE1 4.02Å
334T98.9Very high98.7Very high7 Ų724.7 Ų24.74%0.04313%0.134CC..EExtended strand (participates in β ladder)trans-81.1148.7166.162.90000110.4W245 D274 F332 F337 L338W245-T334 HydrophobicContact CZ2-CG2 4.23Å; W245-T334 CarbonylContact O-C 3.54Å; W245-T334 VanDerWaalsContact O-CA 3.26Å; W245-T334 WeakPolarHBondContact O-CA 3.13Å; D274-T334 HydrophobicContact CB-CG2 4.48Å; D274-T334 PolarHBondContact O-N 2.89Å; F332-T334 HydrophobicContact CE1-CG2 3.76Å; F332-T334 HydrophobicContact CZ-CG2 4Å; T334-F337 WeakPolarHBondContact O-CB 3.25Å; T334-F337 PolarHBondContact O-N 2.95Å; T334-F337 VanDerWaalsContact O-N 3.1Å; T334-F337 WeakPolarHBondContact OG1-CB 3.26Å; T334-F337 PolarHBondContact OG1-N 2.75Å; T334-L338 PolarHBondContact O-N 3.36Å
335V98.9Very high98.7Very high4 Ų425.8 Ų25.82%0.02414%0.136CC..Hα-helixtrans-57.4-42.9176.31730000112.2V236 M239 E240 I244 W245 I247 F337 L338 R339V236-V335 HydrophobicContact CG1-CG1 4.41Å; M239-V335 HydrophobicContact CB-CG1 4.29Å; M239-V335 HydrophobicContact CB-CG2 4.06Å; M239-V335 HydrophobicContact SD-CG2 4.33Å; E240-V335 HydrophobicContact CG-CG1 3.67Å; I244-V335 HydrophobicContact CB-CG2 4.18Å; I244-V335 HydrophobicContact CG2-CG2 3.96Å; I244-V335 VanDerWaalsContact O-CG2 3.3Å; I244-V335 WeakPolarHBondContact O-CG2 3.21Å; W245-V335 PolarHBondContact O-N 2.7Å; I247-V335 HydrophobicContact CD1-CG2 3.89Å; I247-V335 HydrophobicContact CG1-CG2 3.88Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 3.02Å; V335-L338 PolarHBondContact O-N 3.37Å; V335-R339 PolarHBondContact O-N 2.84Å
336P98.9Very high98.6Very high54 Ų5426.1 Ų26.135%0.35114%0.136SC..Hα-helixtrans-57.5-40172.7-27.436.2000113.9W245 R339 D340W245-P336 HydrophobicContact CE3-CG 4.33Å; W245-P336 HydrophobicContact CH2-CG 4.11Å; W245-P336 HydrophobicContact CZ3-CG 3.71Å; P336-R339 WeakPolarHBondContact O-CB 3.38Å; P336-R339 PolarHBondContact O-N 2.94Å; P336-D340 PolarHBondContact O-N 2.87Å
337F98.9Very high98.5Very high4 Ų430.3 Ų30.32%0.01816%0.163CC..Hα-helixtrans-65.6-42.9176.4176.6-121.7000111.9D274 C275 F333 T334 V335 R339 D340 V341 I385 F388 A389D274-F337 HydrophobicContact CB-CB 4.19Å; C275-F337 HydrophobicContact CB-CD1 4.23Å; C275-F337 HydrophobicContact CB-CE1 3.84Å; C275-F337 HydrophobicContact CB-CZ 4.36Å; F333-F337 HydrophobicContact CB-CD1 4.2Å; F333-F337 AromaticContact CD1-CD1 3.83Å; F333-F337 HydrophobicContact CD1-CD1 3.83Å; F333-F337 AromaticContact CD1-CE1 3.69Å; F333-F337 HydrophobicContact CD1-CE1 3.69Å; F333-F337 HydrophobicContact CE1-CE1 4.09Å; F333-F337 HydrophobicContact CG-CD1 4.29Å; F333-F337 HydrophobicContact CG-CE1 4.47Å; T334-F337 WeakPolarHBondContact O-CB 3.25Å; T334-F337 PolarHBondContact O-N 2.95Å; T334-F337 VanDerWaalsContact O-N 3.1Å; T334-F337 WeakPolarHBondContact OG1-CB 3.26Å; T334-F337 PolarHBondContact OG1-N 2.75Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 3.02Å; F337-R339 VanDerWaalsContact C-N 3.32Å; F337-R339 PolarHBondContact O-N 2.94Å; F337-D340 PolarHBondContact O-N 2.72Å; F337-V341 HydrophobicContact CD2-CG2 4.3Å; F337-V341 HydrophobicContact CE1-CG2 4.29Å; F337-V341 HydrophobicContact CE2-CG2 3.91Å; F337-V341 HydrophobicContact CZ-CG2 3.9Å; F337-V341 WeakPolarHBondContact O-CG2 3.36Å; F337-V341 PolarHBondContact O-N 2.74Å; F337-I385 HydrophobicContact CD1-CD1 4.5Å; F337-I385 HydrophobicContact CE1-CD1 3.61Å; F337-I385 HydrophobicContact CE1-CG1 4.25Å; F337-I385 HydrophobicContact CZ-CB 4.38Å; F337-I385 HydrophobicContact CZ-CD1 4.01Å; F337-I385 HydrophobicContact CZ-CG1 4.31Å; F337-F388 HydrophobicContact CE2-CB 4.21Å; F337-A389 HydrophobicContact CE2-CB 4.4Å; F337-A389 HydrophobicContact CZ-CB 4.23Å
338L98.9Very high98.3Very high1 Ų135 Ų351%0.00519%0.185CC..Hα-helixtrans-61.9-39.1174.1-74.8179000112.4Y227 L230 M239 I247 F333 T334 V335 D340 V341 V342Y227-L338 HydrophobicContact CD1-CD2 4.49Å; Y227-L338 HydrophobicContact CE1-CD2 4.07Å; L230-L338 HydrophobicContact CD1-CD2 4.42Å; M239-L338 HydrophobicContact SD-CD1 4.42Å; I247-L338 HydrophobicContact CB-CD1 4.14Å; I247-L338 HydrophobicContact CG1-CD1 3.77Å; I247-L338 HydrophobicContact CG2-CD1 4.36Å; F333-L338 HydrophobicContact CB-CD1 4.21Å; F333-L338 HydrophobicContact CB-CD2 4.08Å; F333-L338 HydrophobicContact CB-CG 3.85Å; F333-L338 HydrophobicContact CD2-CD2 3.79Å; F333-L338 HydrophobicContact CD2-CG 4.42Å; F333-L338 HydrophobicContact CG-CD2 4.11Å; F333-L338 HydrophobicContact CG-CG 4.43Å; T334-L338 PolarHBondContact O-N 3.36Å; V335-L338 PolarHBondContact O-N 3.37Å; L338-D340 PolarHBondContact O-N 2.79Å; L338-V341 PolarHBondContact O-N 2.91Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 2.82Å
339R98.8Very high98.2Very high116 Ų11635.1 Ų35.144%0.43819%0.186SC..Hα-helixtrans-59.7-45.9174.4-174-163.7-75.8-168.4-7.5111.4V236 E240 V335 P336 F337 V341 V342 N343V236-R339 HydrophobicContact CG1-CB 3.92Å; V236-R339 HydrophobicContact CG1-CG 4.31Å; E240-R339 IonicContact OE1-CZ 3.04Å; E240-R339 IonicContact OE1-NE 3.26Å; E240-R339 PolarHBondContact OE1-NE 3.19Å; E240-R339 IonicContact OE1-NH2 2.71Å; E240-R339 PolarHBondContact OE1-NH2 2.87Å; E240-R339 IonicContact OE2-CZ 3.63Å; E240-R339 IonicContact OE2-NE 2.65Å; E240-R339 IonicContact OE2-NH2 2.72Å; E240-R339 PolarHBondContact OE2-NH2 3.1Å; V335-R339 PolarHBondContact O-N 2.84Å; P336-R339 WeakPolarHBondContact O-CB 3.38Å; P336-R339 PolarHBondContact O-N 2.94Å; F337-R339 VanDerWaalsContact C-N 3.32Å; F337-R339 PolarHBondContact O-N 2.94Å; R339-V341 VanDerWaalsContact C-N 3.33Å; R339-V342 PolarHBondContact O-N 3.38Å; R339-N343 WeakPolarHBondContact CG-ND2 3.47Å; R339-N343 WeakPolarHBondContact O-CB 3.39Å; R339-N343 PolarHBondContact O-N 3.1Å; R339-N343 VanDerWaalsContact O-N 3.1Å; R339-N343 PolarHBondContact O-ND2 3.33Å
340D98.8Very high97.9Very high47 Ų4741.2 Ų41.225%0.25121%0.21SC..Hα-helixtrans-61.9-43.3176.8-71-12000110.3P336 F337 L338 V344 Y345 K390P336-D340 PolarHBondContact O-N 2.87Å; F337-D340 PolarHBondContact O-N 2.72Å; L338-D340 PolarHBondContact O-N 2.79Å; D340-V344 WeakPolarHBondContact O-CA 3.5Å; D340-V344 VanDerWaalsContact O-CB 3.22Å; D340-V344 WeakPolarHBondContact O-CB 3.45Å; D340-V344 PolarHBondContact O-N 2.84Å; D340-Y345 HydrophobicContact CB-CD2 4.28Å; D340-Y345 HydrophobicContact CB-CE2 3.79Å; D340-Y345 PolarHBondContact O-N 3.15Å; D340-K390 IonicContact OD2-NZ 3.93Å; D340-K390 PolarHBondContact OD2-NZ 3Å; D340-K390 VanDerWaalsContact OD2-NZ 3.07Å
341V98.8Very high97.6Very high0 Ų042.5 Ų42.50%022%0.216CC..Iπ-helixtrans-60.2-52.3177.1168.70000112.1Y227 F337 L338 R339 N343 Y345 E346 I385Y227-V341 HydrophobicContact CD1-CG1 3.43Å; Y227-V341 VanDerWaalsContact CD1-CG1 3.43Å; Y227-V341 HydrophobicContact CD2-CG1 4.22Å; Y227-V341 HydrophobicContact CE1-CG1 3.87Å; Y227-V341 HydrophobicContact CG-CG1 3.64Å; F337-V341 HydrophobicContact CD2-CG2 4.3Å; F337-V341 HydrophobicContact CE1-CG2 4.29Å; F337-V341 HydrophobicContact CE2-CG2 3.91Å; F337-V341 HydrophobicContact CZ-CG2 3.9Å; F337-V341 WeakPolarHBondContact O-CG2 3.36Å; F337-V341 PolarHBondContact O-N 2.74Å; L338-V341 PolarHBondContact O-N 2.91Å; R339-V341 VanDerWaalsContact C-N 3.33Å; V341-N343 VanDerWaalsContact C-N 3.31Å; V341-N343 PolarHBondContact O-N 2.7Å; V341-Y345 HydrophobicContact CG2-CD2 4.08Å; V341-Y345 PolarHBondContact O-N 3.49Å; V341-Y345 VanDerWaalsContact O-N 3.11Å; V341-E346 WeakPolarHBondContact O-CB 3.42Å; V341-E346 PolarHBondContact O-N 2.73Å; V341-I385 HydrophobicContact CG1-CB 4.44Å; V341-I385 HydrophobicContact CG1-CD1 4.36Å; V341-I385 HydrophobicContact CG1-CG2 3.65Å; V341-I385 HydrophobicContact CG2-CB 4.09Å; V341-I385 HydrophobicContact CG2-CD1 3.93Å; V341-I385 HydrophobicContact CG2-CG2 4.18Å
342V98.5Very high97.2Very high18 Ų1844.3 Ų44.311%0.10922%0.224CC..Iπ-helixtrans-62.1-40-176.5170.10000111.4L230 A231 V236 L338 R339L230-V342 HydrophobicContact CB-CG2 3.88Å; L230-V342 HydrophobicContact CD1-CG2 4Å; A231-V342 HydrophobicContact CB-CG1 3.39Å; V236-V342 HydrophobicContact CG2-CG2 4.04Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 2.82Å; R339-V342 PolarHBondContact O-N 3.38Å
343N98.1Very high96.8Very high106 Ų10646 Ų4657%0.56724%0.235SC*.Iπ-helixtrans-92.8-20-173.1-66.5-53.4000114.6R339 V341R339-N343 WeakPolarHBondContact CG-ND2 3.47Å; R339-N343 WeakPolarHBondContact O-CB 3.39Å; R339-N343 PolarHBondContact O-N 3.1Å; R339-N343 VanDerWaalsContact O-N 3.1Å; R339-N343 PolarHBondContact O-ND2 3.33Å; V341-N343 VanDerWaalsContact C-N 3.31Å; V341-N343 PolarHBondContact O-N 2.7Å
344V98.4Very high96.3Very high78 Ų7847.2 Ų47.247%0.47325%0.245SC..Iπ-helixtrans-128.1-48.9-170.8-1730000112.8D340D340-V344 WeakPolarHBondContact O-CA 3.5Å; D340-V344 VanDerWaalsContact O-CB 3.22Å; D340-V344 WeakPolarHBondContact O-CB 3.45Å; D340-V344 PolarHBondContact O-N 2.84Å
345Y98.1Very high95.9Very high58 Ų5851.6 Ų51.623%0.22727%0.265CS..Iπ-helixtrans-93.9-21.9-167.2-53.3-57000114.5D340 V341 P347 Q348 F388D340-Y345 HydrophobicContact CB-CD2 4.28Å; D340-Y345 HydrophobicContact CB-CE2 3.79Å; D340-Y345 PolarHBondContact O-N 3.15Å; V341-Y345 HydrophobicContact CG2-CD2 4.08Å; V341-Y345 PolarHBondContact O-N 3.49Å; V341-Y345 VanDerWaalsContact O-N 3.11Å; Y345-P347 VanDerWaalsContact C-CD 3.44Å; Y345-P347 VanDerWaalsContact C-N 3.34Å; Y345-Q348 VanDerWaalsContact O-CB 3.32Å; Y345-Q348 WeakPolarHBondContact O-CB 3.31Å; Y345-Q348 PolarHBondContact O-N 2.95Å; Y345-F388 HydrophobicContact CD1-CB 4.44Å; Y345-F388 AromaticContact CD1-CD1 3.8Å; Y345-F388 HydrophobicContact CD1-CD1 3.8Å; Y345-F388 HydrophobicContact CD1-CE1 4.16Å; Y345-F388 AromaticContact CD1-CG 4Å; Y345-F388 HydrophobicContact CD1-CG 4Å; Y345-F388 HydrophobicContact CD2-CB 3.83Å; Y345-F388 HydrophobicContact CD2-CD2 4.36Å; Y345-F388 HydrophobicContact CD2-CG 4.04Å; Y345-F388 HydrophobicContact CE1-CD1 4.23Å; Y345-F388 HydrophobicContact CE2-CB 4.02Å; Y345-F388 HydrophobicContact CG-CB 4.07Å; Y345-F388 HydrophobicContact CG-CD1 4.04Å; Y345-F388 AromaticContact CG-CD2 3.95Å; Y345-F388 HydrophobicContact CG-CD2 3.95Å; Y345-F388 HydrophobicContact CG-CE2 4.44Å; Y345-F388 AromaticContact CG-CG 3.75Å; Y345-F388 HydrophobicContact CG-CG 3.75Å
346E97.6Very high95.5Very high13 Ų1355.9 Ų55.96%0.06128%0.283CS..G310 helixtrans-49.7-44.1-178.4-168.4-71140.500114.1R228 V341 Q348 L349 K380R228-E346 WeakPolarHBondContact CD-OE1 3.39Å; R228-E346 HydrophobicContact CG-CG 3.81Å; R228-E346 WeakPolarHBondContact CG-OE1 3.23Å; R228-E346 IonicContact CZ-OE1 3.05Å; R228-E346 IonicContact CZ-OE2 2.56Å; R228-E346 IonicContact NE-OE1 2.69Å; R228-E346 PolarHBondContact NE-OE1 3.02Å; R228-E346 IonicContact NE-OE2 3.25Å; R228-E346 PolarHBondContact NE-OE2 3.35Å; R228-E346 IonicContact NH2-OE2 3.88Å; V341-E346 WeakPolarHBondContact O-CB 3.42Å; V341-E346 PolarHBondContact O-N 2.73Å; E346-Q348 PolarHBondContact O-N 3.44Å; E346-Q348 VanDerWaalsContact O-N 3.15Å; E346-L349 WeakPolarHBondContact O-CB 3.45Å; E346-L349 PolarHBondContact O-N 3.33Å; E346-L349 VanDerWaalsContact O-N 3.16Å; E346-K380 PolarHBondContact O-NZ 2.92Å; E346-K380 IonicContact OE1-NZ 3.28Å; E346-K380 PolarHBondContact OE1-NZ 2.71Å
347P95.4Very high95.3Very high88 Ų8859.2 Ų59.257%0.57129%0.292SS*.G310 helixtrans-66.8-16.1179.9-22.535.8000114.3Y345Y345-P347 VanDerWaalsContact C-CD 3.44Å; Y345-P347 VanDerWaalsContact C-N 3.34Å
348Q95.5Very high95.1Very high111 Ų11159.2 Ų59.252%0.51929%0.292SS..G310 helixtrans-84.8-16.4179-54.4-179.236.800112.5Y345 E346 Q350 F388Y345-Q348 VanDerWaalsContact O-CB 3.32Å; Y345-Q348 WeakPolarHBondContact O-CB 3.31Å; Y345-Q348 PolarHBondContact O-N 2.95Å; E346-Q348 PolarHBondContact O-N 3.44Å; E346-Q348 VanDerWaalsContact O-N 3.15Å; Q348-Q350 PolarHBondContact O-N 2.89Å; Q348-F388 HydrophobicContact CB-CZ 4.01Å
349L94.9Very high94.9Very high8 Ų862.3 Ų62.34%0.04231%0.312CS..PPolyproline II helixtrans-66.1131178-60.7-177.7000110.9Y227 E346 K380 D384 I385 F388Y227-L349 HydrophobicContact CD2-CD1 3.42Å; Y227-L349 VanDerWaalsContact CD2-CD1 3.42Å; Y227-L349 HydrophobicContact CE2-CD1 3.8Å; Y227-L349 HydrophobicContact CG-CD1 4.46Å; E346-L349 WeakPolarHBondContact O-CB 3.45Å; E346-L349 PolarHBondContact O-N 3.33Å; E346-L349 VanDerWaalsContact O-N 3.16Å; L349-K380 HydrophobicContact CB-CD 3.75Å; L349-K380 HydrophobicContact CB-CG 4.41Å; L349-K380 HydrophobicContact CD1-CD 4.34Å; L349-K380 WeakPolarHBondContact O-CE 3.19Å; L349-K380 PolarHBondContact O-NZ 3.38Å; L349-D384 HydrophobicContact CD2-CB 3.71Å; L349-I385 HydrophobicContact CD1-CG2 3.94Å; L349-I385 HydrophobicContact CD2-CG2 3.85Å; L349-I385 HydrophobicContact CG-CG2 4.42Å; L349-F388 HydrophobicContact CD2-CE2 3.89Å
350Q92.4Very high94.9Very high150 Ų15060.4 Ų60.470%0.70131%0.306SS*.PPolyproline II helixtrans-88.6153-177.3-59.9-174.218.800111.1Q348Q348-Q350 PolarHBondContact O-N 2.89Å
351H93Very high94.9Very high29 Ų2958.7 Ų58.713%0.13430%0.297CS..PPolyproline II helixtrans-87.2125.5171.8-74.8-70.5000110.2F48 M378F48-H351 AromaticContact CD1-CD2 3.87Å; F48-H351 AromaticContact CD1-NE2 3.73Å; F48-H351 AromaticContact CD2-NE2 3.59Å; F48-H351 AromaticContact CE1-NE2 3.86Å; F48-H351 AromaticContact CE2-NE2 3.72Å; F48-H351 AromaticContact CG-CD2 3.77Å; F48-H351 AromaticContact CG-NE2 3.58Å; F48-H351 AromaticContact CZ-NE2 3.83Å; H351-M378 HydrophobicContact CB-CB 4.07Å; H351-M378 HydrophobicContact CB-CG 4.43Å
352H90.5Very high94.7Very high39 Ų3960.2 Ų60.218%0.18131%0.305CS..EExtended strand (participates in β ladder)trans-82.9140.1168.3-65.6-102.2000109.5E306 M378 E379 F381 D384E306-H352 IonicContact OE1-CE1 2.85Å; E306-H352 IonicContact OE1-CG 3.38Å; E306-H352 IonicContact OE1-ND1 2.84Å; E306-H352 PolarHBondContact OE1-ND1 3.05Å; E306-H352 IonicContact OE2-CE1 3.58Å; E306-H352 IonicContact OE2-ND1 3.85Å; H352-M378 WeakPolarHBondContact O-CA 3.37Å; H352-E379 PolarHBondContact N-O 2.98Å; H352-E379 PolarHBondContact O-N 2.72Å; H352-F381 HydrophobicContact CB-CD2 4.28Å; H352-F381 HydrophobicContact CB-CE2 3.65Å; H352-F381 HydrophobicContact CB-CZ 3.85Å; H352-F381 AromaticContact CD2-CD2 3.4Å; H352-F381 VanDerWaalsContact CD2-CD2 3.4Å; H352-F381 WeakPolarHBondContact CD2-CD2 3.5Å; H352-F381 AromaticContact CD2-CE2 3.66Å; H352-F381 AromaticContact CE1-CD2 3.64Å; H352-F381 AromaticContact CE1-CE2 3.76Å; H352-F381 AromaticContact CG-CD2 3.54Å; H352-F381 AromaticContact CG-CE2 3.25Å; H352-F381 AromaticContact CG-CZ 3.97Å; H352-F381 AromaticContact ND1-CD2 3.69Å; H352-F381 AromaticContact ND1-CE2 3.33Å; H352-F381 VanDerWaalsContact ND1-CE2 3.33Å; H352-F381 WeakPolarHBondContact ND1-CE2 3.48Å; H352-F381 AromaticContact NE2-CD2 3.5Å; H352-F381 AromaticContact NE2-CE2 3.98Å; H352-D384 IonicContact CD2-OD2 3.23Å; H352-D384 IonicContact NE2-OD1 2.93Å; H352-D384 IonicContact NE2-OD2 2.83Å; H352-D384 PolarHBondContact NE2-OD2 3.38Å
353V89.9Confident94.5Very high35 Ų3564 Ų6421%0.21233%0.328CS..EExtended strand (participates in β ladder)trans-107.9123.4-172.6179.10000110.6A52 F56 I376A52-V353 HydrophobicContact CB-CG2 3.57Å; F56-V353 HydrophobicContact CD2-CB 4.36Å; F56-V353 HydrophobicContact CD2-CG1 4.35Å; V353-I376 HydrophobicContact CG1-CB 3.85Å; V353-I376 HydrophobicContact CG1-CD1 4.05Å; V353-I376 HydrophobicContact CG1-CG2 3.66Å
354A88.5Confident94.4Very high26 Ų2665 Ų6522%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-116.4120171.700000111K356 I376 K377A354-K356 PolarHBondContact O-N 2.97Å; A354-I376 CarbonylContact O-C 3.58Å; A354-I376 WeakPolarHBondContact O-CA 3.45Å; A354-K377 PolarHBondContact N-O 3.14Å; A354-K377 PolarHBondContact O-N 2.75Å
355Q90.8Very high94.2Very high98 Ų9862.2 Ų62.246%0.45832%0.317SS..EExtended strand (participates in β ladder)trans-69.6129.7170.8-60.3-173.9-19.900110F204 P373 I376F204-Q355 HydrophobicContact CE1-CG 4.1Å; Q355-P373 HydrophobicContact CB-CB 4.23Å; Q355-I376 HydrophobicContact CG-CG2 4.47Å
356K91.6Very high94.2Very high94 Ų9465 Ų6541%0.40933%0.332SS..EExtended strand (participates in β ladder)trans-135.4154.1-175.7-64.1-67.2-178.5-177.10111.9A354 I358 P373 N374 G375 K377A354-K356 PolarHBondContact O-N 2.97Å; K356-I358 HydrophobicContact CB-CD1 4.13Å; K356-I358 HydrophobicContact CB-CG1 3.82Å; K356-P373 WeakPolarHBondContact O-CA 3.16Å; K356-N374 PolarHBondContact O-N 2.83Å; K356-N374 PolarHBondContact O-OD1 3.3Å; K356-G375 PolarHBondContact N-O 3.12Å; K356-K377 HydrophobicContact CG-CD 4.05Å; K356-K377 HydrophobicContact CG-CG 4.02Å
357K93.9Very high94.1Very high125 Ų12570.5 Ų70.554%0.54336%0.361SS..  trans-85.6100.4163.9-63.3-177.4-173.1-166.30107.2P370 D371K357-P370 HydrophobicContact CB-CG 4.06Å; K357-P370 WeakPolarHBondContact CD-O 3.11Å; K357-D371 WeakPolarHBondContact CE-O 3.49Å; K357-D371 PolarHBondContact NZ-O 2.88Å
358I94.8Very high94.2Very high4 Ų468.2 Ų68.22%0.02135%0.345CS..  trans-104.4110.9-173.2-61.9146.4000107.6A201 I209 S217 K356 Y360 P370 N374A201-I358 HydrophobicContact CB-CD1 3.84Å; A201-I358 HydrophobicContact CB-CG1 4.25Å; A201-I358 HydrophobicContact CB-CG2 3.96Å; I209-I358 HydrophobicContact CD1-CB 4.37Å; I209-I358 HydrophobicContact CD1-CD1 3.9Å; I209-I358 HydrophobicContact CD1-CG2 4.26Å; I209-I358 HydrophobicContact CG2-CG2 4.05Å; S217-I358 WeakPolarHBondContact OG-CG2 3.5Å; K356-I358 HydrophobicContact CB-CD1 4.13Å; K356-I358 HydrophobicContact CB-CG1 3.82Å; I358-Y360 WeakPolarHBondContact O-CD1 3.27Å; I358-P370 WeakPolarHBondContact O-CG 3.48Å; I358-N374 PolarHBondContact N-OD1 2.75Å; I358-N374 PolarHBondContact O-ND2 2.88Å; I358-N374 PolarHBondContact O-OD1 2.74Å
359P95.6Very high94.2Very high66 Ų6671.6 Ų71.643%0.42936%0.358SS..  trans-55.4138.7171.4-22.834.1000110.8V368P359-V368 WeakPolarHBondContact CA-O 3.17Å
360Y97.8Very high94.2Very high75 Ų7572.3 Ų72.329%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-150.8164.4-173.272.1-76.1000111.7I209 L210 I358 D362 V368 P370 N374I209-Y360 VanDerWaalsContact CG2-CB 3.49Å; I209-Y360 HydrophobicContact CG2-CG 4.5Å; L210-Y360 WeakPolarHBondContact O-CA 3.3Å; L210-Y360 VanDerWaalsContact O-CB 3.31Å; L210-Y360 WeakPolarHBondContact O-CB 3.44Å; I358-Y360 WeakPolarHBondContact O-CD1 3.27Å; Y360-D362 HydrophobicContact CE2-CB 4.02Å; Y360-V368 HydrophobicContact CD1-CB 4.16Å; Y360-V368 HydrophobicContact CD1-CG1 4.47Å; Y360-V368 HydrophobicContact CE1-CB 3.73Å; Y360-V368 HydrophobicContact CE1-CG1 3.67Å; Y360-V368 PolarHBondContact N-O 3.05Å; Y360-V368 VanDerWaalsContact N-O 3.14Å; Y360-V368 PolarHBondContact O-N 2.68Å; Y360-P370 HydrophobicContact CE1-CB 4.42Å; Y360-N374 WeakPolarHBondContact CD1-ND2 3.27Å
361V97.9Very high94.3Very high12 Ų1272 Ų727%0.07337%0.366CS..EExtended strand (participates in β ladder)trans-92.5124.4167.463.60000110.1F21 L210 K213 H366 L367F21-V361 HydrophobicContact CE2-CG1 4.09Å; F21-V361 HydrophobicContact CE2-CG2 4.2Å; F21-V361 HydrophobicContact CZ-CG2 4.36Å; L210-V361 HydrophobicContact CB-CG1 3.61Å; L210-V361 HydrophobicContact CD1-CG1 4.44Å; L210-V361 PolarHBondContact O-N 2.95Å; L210-V361 VanDerWaalsContact O-N 3.07Å; K213-V361 HydrophobicContact CG-CG2 4Å; V361-H366 WeakPolarHBondContact CA-O 3.42Å; V361-L367 HydrophobicContact CB-CD2 4.38Å
362D95.8Very high94.3Very high31 Ų3178.6 Ų78.617%0.16640%0.395CS..  trans-75.3174.3177.473.215.4000112.4F21 Y360 Q364 G365 H366 V368F21-D362 WeakPolarHBondContact CZ-O 3.41Å; Y360-D362 HydrophobicContact CE2-CB 4.02Å; D362-Q364 PolarHBondContact O-N 2.72Å; D362-Q364 VanDerWaalsContact O-N 3.13Å; D362-Q364 WeakPolarHBondContact OD1-CA 3.38Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.3Å; D362-Q364 PolarHBondContact OD1-N 3.06Å; D362-Q364 PolarHBondContact OD1-OE1 2.9Å; D362-G365 PolarHBondContact O-N 2.93Å; D362-G365 PolarHBondContact OD1-N 3.33Å; D362-H366 PolarHBondContact N-O 3.46Å; D362-H366 IonicContact OD1-CG 2.86Å; D362-H366 PolarHBondContact OD1-N 3.5Å; D362-H366 IonicContact OD1-ND1 2.75Å; D362-H366 IonicContact OD2-ND1 3.3Å; D362-V368 HydrophobicContact CB-CG2 4.05Å
363T94.3Very high94.5Very high98 Ų9879.4 Ų79.460%0.60140%0.404SS*.THydrogen-bonded Turntrans-62.5-19-178.447.30000114.7H20H20-T363 PolarHBondContact NE2-O 3.49Å
364Q96Very high94.8Very high126 Ų12679.5 Ų79.559%0.58940%0.403SS*.THydrogen-bonded Turntrans-90.8-5177.8-64.776.19.600111.5D362 H366D362-Q364 PolarHBondContact O-N 2.72Å; D362-Q364 VanDerWaalsContact O-N 3.13Å; D362-Q364 WeakPolarHBondContact OD1-CA 3.38Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.3Å; D362-Q364 PolarHBondContact OD1-N 3.06Å; D362-Q364 PolarHBondContact OD1-OE1 2.9Å; Q364-H366 WeakPolarHBondContact CB-ND1 3.5Å
365G95Very high95.2Very high20 Ų2078.2 Ų78.221%0.20639%0.392CS..SBendtrans87.813.6179.600000114.3K213 D362K213-G365 VanDerWaalsContact CE-CA 3.44Å; D362-G365 PolarHBondContact O-N 2.93Å; D362-G365 PolarHBondContact OD1-N 3.33Å
366H96.9Very high95.3Very high118 Ų11873.7 Ų73.755%0.54637%0.371SS..  trans-91.1141.1177.3-53115.4000111.7V361 D362 Q364V361-H366 WeakPolarHBondContact CA-O 3.42Å; D362-H366 PolarHBondContact N-O 3.46Å; D362-H366 IonicContact OD1-CG 2.86Å; D362-H366 PolarHBondContact OD1-N 3.5Å; D362-H366 IonicContact OD1-ND1 2.75Å; D362-H366 IonicContact OD2-ND1 3.3Å; Q364-H366 WeakPolarHBondContact CB-ND1 3.5Å
367L96.6Very high95.4Very high128 Ų12872.2 Ų72.267%0.6737%0.365SS*.EExtended strand (participates in β ladder)trans-75.9123.8172.4-68.9175.6000110.7E211 E212 V361E211-L367 VanDerWaalsContact O-CD2 3.31Å; E211-L367 WeakPolarHBondContact O-CD2 3.48Å; E212-L367 HydrophobicContact CG-CD2 4.46Å; V361-L367 HydrophobicContact CB-CD2 4.38Å
368V96.9Very high95.4Very high40 Ų4066.5 Ų66.524%0.24234%0.34CS..EExtended strand (participates in β ladder)trans-117.6131.5-177.1-1790000110.2P359 Y360 D362P359-V368 WeakPolarHBondContact CA-O 3.17Å; Y360-V368 HydrophobicContact CD1-CB 4.16Å; Y360-V368 HydrophobicContact CD1-CG1 4.47Å; Y360-V368 HydrophobicContact CE1-CB 3.73Å; Y360-V368 HydrophobicContact CE1-CG1 3.67Å; Y360-V368 PolarHBondContact N-O 3.05Å; Y360-V368 VanDerWaalsContact N-O 3.14Å; Y360-V368 PolarHBondContact O-N 2.68Å; D362-V368 HydrophobicContact CB-CG2 4.05Å
369K95.8Very high95.3Very high182 Ų18269.2 Ų69.279%0.79135%0.353SS*.  trans-100.7109.6165.3-70.1-178.4-178.7176.50108.1
370P94.7Very high95.3Very high22 Ų2266.4 Ų66.414%0.14333%0.334CS..  trans-76139.8-169.728.8-34.9000112.6K357 I358 Y360 N374K357-P370 HydrophobicContact CB-CG 4.06Å; K357-P370 WeakPolarHBondContact CD-O 3.11Å; I358-P370 WeakPolarHBondContact O-CG 3.48Å; Y360-P370 HydrophobicContact CE1-CB 4.42Å; P370-N374 HydrophobicContact CB-CB 4.33Å; P370-N374 WeakPolarHBondContact CG-OD1 3.34Å
371D93.4Very high95.3Very high144 Ų14464.4 Ų64.477%0.7733%0.326SS*.SBendtrans-77.6-25.8177.8-68.7-41.4000113.3K357K357-D371 WeakPolarHBondContact CE-O 3.49Å; K357-D371 PolarHBondContact NZ-O 2.88Å
372K94.4Very high95.3Very high167 Ų16763.8 Ų63.873%0.72632%0.323SS*.SBendtrans-121.7155.7178-63.5-178.2-176.6176.40109.9N374K372-N374 PolarHBondContact O-N 3.17Å
373P94.3Very high95.4Very high57 Ų5762.5 Ų62.537%0.3732%0.316SS..  trans-52.8130.5171.5-2534.9000110.8F204 Q355 K356F204-P373 WeakPolarHBondContact CE2-O 3.35Å; F204-P373 HydrophobicContact CZ-CB 4.23Å; Q355-P373 HydrophobicContact CB-CB 4.23Å; K356-P373 WeakPolarHBondContact O-CA 3.16Å
374N96.4Very high95.5Very high36 Ų3658.8 Ų58.819%0.19329%0.292CS..  trans-119.7-3.6-176.262.2-45000112.7K356 I358 Y360 P370 K372K356-N374 PolarHBondContact O-N 2.83Å; K356-N374 PolarHBondContact O-OD1 3.3Å; I358-N374 PolarHBondContact N-OD1 2.75Å; I358-N374 PolarHBondContact O-ND2 2.88Å; I358-N374 PolarHBondContact O-OD1 2.74Å; Y360-N374 WeakPolarHBondContact CD1-ND2 3.27Å; P370-N374 HydrophobicContact CB-CB 4.33Å; P370-N374 WeakPolarHBondContact CG-OD1 3.34Å; K372-N374 PolarHBondContact O-N 3.17Å
375G95.4Very high95.6Very high0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-170-171176.500000112.6M202 K356M202-G375 CarbonylContact O-C 3.52Å; M202-G375 WeakPolarHBondContact O-CA 3.39Å; K356-G375 PolarHBondContact N-O 3.12Å
376I94.1Very high95.8Very high2 Ų251.9 Ų51.91%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-120.7156-177.464.7165.9000111.6F49 I53 M202 F204 V353 A354 Q355 M378F49-I376 HydrophobicContact CD2-CD1 3.78Å; F49-I376 HydrophobicContact CD2-CG1 4.47Å; F49-I376 HydrophobicContact CE2-CD1 3.58Å; F49-I376 HydrophobicContact CE2-CG1 4.09Å; I53-I376 HydrophobicContact CD1-CD1 4.09Å; M202-I376 HydrophobicContact CB-CG1 4.39Å; M202-I376 PolarHBondContact N-O 3.29Å; M202-I376 PolarHBondContact O-N 2.99Å; F204-I376 HydrophobicContact CD1-CG2 3.93Å; F204-I376 HydrophobicContact CE1-CG2 3.73Å; V353-I376 HydrophobicContact CG1-CB 3.85Å; V353-I376 HydrophobicContact CG1-CD1 4.05Å; V353-I376 HydrophobicContact CG1-CG2 3.66Å; A354-I376 CarbonylContact O-C 3.58Å; A354-I376 WeakPolarHBondContact O-CA 3.45Å; Q355-I376 HydrophobicContact CG-CG2 4.47Å; I376-M378 HydrophobicContact CD1-CG 4.23Å
377K93.7Very high95.9Very high63 Ų6350.1 Ų50.127%0.27425%0.247SC..EExtended strand (participates in β ladder)trans-116.8139.9160.9-64.6-170.4178-169.80108.6A219 A354 K356A219-K377 HydrophobicContact CB-CD 3.89Å; A354-K377 PolarHBondContact N-O 3.14Å; A354-K377 PolarHBondContact O-N 2.75Å; K356-K377 HydrophobicContact CG-CD 4.05Å; K356-K377 HydrophobicContact CG-CG 4.02Å
378M93.8Very high96Very high5 Ų545.6 Ų45.63%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-106.5129.4177.3-66.6178.9-66.400108.5F48 A52 L199 M202 H351 H352 I376F48-M378 HydrophobicContact CB-CE 4.22Å; F48-M378 HydrophobicContact CB-SD 4.03Å; A52-M378 HydrophobicContact CB-CG 4.19Å; A52-M378 HydrophobicContact CB-SD 3.84Å; L199-M378 HydrophobicContact CD1-CB 4.14Å; M202-M378 HydrophobicContact SD-CE 3.75Å; H351-M378 HydrophobicContact CB-CB 4.07Å; H351-M378 HydrophobicContact CB-CG 4.43Å; H352-M378 WeakPolarHBondContact O-CA 3.37Å; I376-M378 HydrophobicContact CD1-CG 4.23Å
379E93.3Very high96.1Very high61 Ų6144.8 Ų44.829%0.28522%0.219SC..EExtended strand (participates in β ladder)trans-136.6139.3-178.1-67.6-178.6120.300109D221 H352D221-E379 WeakPolarHBondContact O-CA 3.07Å; H352-E379 PolarHBondContact N-O 2.98Å; H352-E379 PolarHBondContact O-N 2.72Å
380K95.2Very high96.2Very high7 Ų743.7 Ų43.73%0.0321%0.214CC..  trans-90.3150.2164.2-71.9-174.4173.1-170.60109.4D221 G222 N223 G224 E346 L349D221-K380 PolarHBondContact O-N 3.33Å; G222-K380 CarbonylContact C-O 3.58Å; G222-K380 WeakPolarHBondContact CA-O 3.5Å; N223-K380 PolarHBondContact N-O 2.83Å; N223-K380 PolarHBondContact OD1-O 3.16Å; G224-K380 WeakPolarHBondContact CA-O 3.39Å; G224-K380 PolarHBondContact N-O 3.25Å; E346-K380 PolarHBondContact O-NZ 2.92Å; E346-K380 IonicContact OE1-NZ 3.28Å; E346-K380 PolarHBondContact OE1-NZ 2.71Å; L349-K380 HydrophobicContact CB-CD 3.75Å; L349-K380 HydrophobicContact CB-CG 4.41Å; L349-K380 HydrophobicContact CD1-CD 4.34Å; L349-K380 WeakPolarHBondContact O-CE 3.19Å; L349-K380 PolarHBondContact O-NZ 3.38Å
381F96.5Very high96.4Very high33 Ų3347.8 Ų47.815%0.14523%0.23CC..  trans-103.5140.3173.6-62.4-40.2000113.3N223 E303 H352 F383 D384N223-F381 VanDerWaalsContact OD1-CA 3.32Å; N223-F381 WeakPolarHBondContact OD1-CA 3.44Å; E303-F381 HydrophobicContact CB-CE2 4.46Å; E303-F381 HydrophobicContact CG-CD2 4.13Å; E303-F381 HydrophobicContact CG-CE2 3.77Å; E303-F381 HydrophobicContact CG-CZ 4.32Å; H352-F381 HydrophobicContact CB-CD2 4.28Å; H352-F381 HydrophobicContact CB-CE2 3.65Å; H352-F381 HydrophobicContact CB-CZ 3.85Å; H352-F381 AromaticContact CD2-CD2 3.4Å; H352-F381 VanDerWaalsContact CD2-CD2 3.4Å; H352-F381 WeakPolarHBondContact CD2-CD2 3.5Å; H352-F381 AromaticContact CD2-CE2 3.66Å; H352-F381 AromaticContact CE1-CD2 3.64Å; H352-F381 AromaticContact CE1-CE2 3.76Å; H352-F381 AromaticContact CG-CD2 3.54Å; H352-F381 AromaticContact CG-CE2 3.25Å; H352-F381 AromaticContact CG-CZ 3.97Å; H352-F381 AromaticContact ND1-CD2 3.69Å; H352-F381 AromaticContact ND1-CE2 3.33Å; H352-F381 VanDerWaalsContact ND1-CE2 3.33Å; H352-F381 WeakPolarHBondContact ND1-CE2 3.48Å; H352-F381 AromaticContact NE2-CD2 3.5Å; H352-F381 AromaticContact NE2-CE2 3.98Å; F381-F383 HydrophobicContact CB-CD1 4.49Å; F381-F383 HydrophobicContact CB-CD2 3.9Å; F381-F383 HydrophobicContact CB-CE1 4Å; F381-F383 HydrophobicContact CB-CE2 3.34Å; F381-F383 HydrophobicContact CB-CG 4.46Å; F381-F383 HydrophobicContact CB-CZ 3.39Å; F381-F383 HydrophobicContact CD1-CZ 4.33Å; F381-F383 AromaticContact CD2-CE2 3.68Å; F381-F383 HydrophobicContact CD2-CE2 3.68Å; F381-F383 AromaticContact CD2-CZ 3.56Å; F381-F383 HydrophobicContact CD2-CZ 3.56Å; F381-F383 HydrophobicContact CE2-CZ 4.39Å; F381-F383 HydrophobicContact CG-CE1 4.32Å; F381-F383 AromaticContact CG-CE2 3.8Å; F381-F383 HydrophobicContact CG-CE2 3.8Å; F381-F383 AromaticContact CG-CZ 3.52Å; F381-F383 HydrophobicContact CG-CZ 3.52Å; F381-F383 PolarHBondContact O-N 3.34Å; F381-D384 WeakPolarHBondContact CB-OD2 3.22Å; F381-D384 PolarHBondContact N-OD2 2.83Å; F381-D384 WeakPolarHBondContact O-CB 3.44Å; F381-D384 PolarHBondContact O-N 3.12Å
382V97.9Very high96.6Very high0 Ų041.3 Ų41.30%020%0.195CC..G310 helixtrans-61.7-33.6-177.668.70000111.6L108 N223 L226 Y227 V249 D384L108-V382 HydrophobicContact CD1-CG1 4.23Å; L108-V382 HydrophobicContact CD1-CG2 4.39Å; N223-V382 HydrophobicContact CB-CB 4.34Å; N223-V382 PolarHBondContact OD1-N 3.47Å; L226-V382 HydrophobicContact CD2-CG2 3.9Å; Y227-V382 VanDerWaalsContact OH-CG2 3.3Å; Y227-V382 WeakPolarHBondContact OH-CG2 3.44Å; Y227-V382 PolarHBondContact OH-O 2.94Å; V249-V382 HydrophobicContact CG1-CG2 4.45Å; V382-D384 VanDerWaalsContact C-N 3.32Å; V382-D384 PolarHBondContact O-N 2.88Å
383F97.9Very high96.9Very high4 Ų433.6 Ų33.62%0.01816%0.162CC..G310 helixtrans-82.9-5.6-17745.9-111.6000114.1V301 E303 N327 F381 I385 F386V301-F383 HydrophobicContact CB-CB 4.26Å; V301-F383 HydrophobicContact CB-CD1 4.26Å; V301-F383 HydrophobicContact CB-CD2 3.52Å; V301-F383 HydrophobicContact CB-CE2 3.85Å; V301-F383 HydrophobicContact CB-CG 3.73Å; V301-F383 HydrophobicContact CB-CZ 4.36Å; V301-F383 HydrophobicContact CG1-CD1 4.39Å; V301-F383 HydrophobicContact CG1-CD2 4.27Å; V301-F383 HydrophobicContact CG1-CE1 4.34Å; V301-F383 HydrophobicContact CG1-CE2 4.2Å; V301-F383 HydrophobicContact CG1-CG 4.35Å; V301-F383 HydrophobicContact CG1-CZ 4.24Å; V301-F383 HydrophobicContact CG2-CB 3.71Å; V301-F383 HydrophobicContact CG2-CD1 4.25Å; V301-F383 HydrophobicContact CG2-CD2 3.97Å; V301-F383 HydrophobicContact CG2-CG 3.7Å; E303-F383 HydrophobicContact CG-CE1 4.42Å; E303-F383 HydrophobicContact CG-CE2 4.27Å; E303-F383 HydrophobicContact CG-CZ 3.54Å; E303-F383 VanDerWaalsContact OE1-CE1 3.28Å; E303-F383 WeakPolarHBondContact OE1-CE1 3.41Å; E303-F383 VanDerWaalsContact OE1-CZ 3.23Å; E303-F383 WeakPolarHBondContact OE1-CZ 3.48Å; N327-F383 WeakPolarHBondContact ND2-CD1 3.44Å; F381-F383 HydrophobicContact CB-CD1 4.49Å; F381-F383 HydrophobicContact CB-CD2 3.9Å; F381-F383 HydrophobicContact CB-CE1 4Å; F381-F383 HydrophobicContact CB-CE2 3.34Å; F381-F383 HydrophobicContact CB-CG 4.46Å; F381-F383 HydrophobicContact CB-CZ 3.39Å; F381-F383 HydrophobicContact CD1-CZ 4.33Å; F381-F383 AromaticContact CD2-CE2 3.68Å; F381-F383 HydrophobicContact CD2-CE2 3.68Å; F381-F383 AromaticContact CD2-CZ 3.56Å; F381-F383 HydrophobicContact CD2-CZ 3.56Å; F381-F383 HydrophobicContact CE2-CZ 4.39Å; F381-F383 HydrophobicContact CG-CE1 4.32Å; F381-F383 AromaticContact CG-CE2 3.8Å; F381-F383 HydrophobicContact CG-CE2 3.8Å; F381-F383 AromaticContact CG-CZ 3.52Å; F381-F383 HydrophobicContact CG-CZ 3.52Å; F381-F383 PolarHBondContact O-N 3.34Å; F383-I385 PolarHBondContact O-N 3.15Å; F383-F386 HydrophobicContact CB-CD1 4.38Å; F383-F386 HydrophobicContact CB-CD2 4.08Å; F383-F386 HydrophobicContact CB-CE1 3.99Å; F383-F386 HydrophobicContact CB-CE2 3.66Å; F383-F386 HydrophobicContact CB-CG 4.43Å; F383-F386 HydrophobicContact CB-CZ 3.6Å; F383-F386 WeakPolarHBondContact O-CB 3.45Å; F383-F386 WeakPolarHBondContact O-CD1 3.19Å; F383-F386 WeakPolarHBondContact O-CG 3.31Å; F383-F386 PolarHBondContact O-N 3.25Å
384D97.8Very high97.1Very high19 Ų1930.9 Ų30.910%0.10214%0.144CC..G310 helixtrans-65.1-15-178.9-67.8-21.1000112.3L349 H352 F381 V382 F386 Q387L349-D384 HydrophobicContact CD2-CB 3.71Å; H352-D384 IonicContact CD2-OD2 3.23Å; H352-D384 IonicContact NE2-OD1 2.93Å; H352-D384 IonicContact NE2-OD2 2.83Å; H352-D384 PolarHBondContact NE2-OD2 3.38Å; F381-D384 WeakPolarHBondContact CB-OD2 3.22Å; F381-D384 PolarHBondContact N-OD2 2.83Å; F381-D384 WeakPolarHBondContact O-CB 3.44Å; F381-D384 PolarHBondContact O-N 3.12Å; V382-D384 VanDerWaalsContact C-N 3.32Å; V382-D384 PolarHBondContact O-N 2.88Å; D384-F386 VanDerWaalsContact C-N 3.29Å; D384-F386 PolarHBondContact O-N 3.49Å; D384-Q387 WeakPolarHBondContact O-CG 3.35Å; D384-Q387 PolarHBondContact O-NE2 2.92Å
385I98.6Very high97.2Very high0 Ų029.2 Ų29.20%014%0.135CC..G310 helixtrans-78-10.2175.566.4163.7000113.7Y227 F333 F337 V341 L349 F383 Q387 F388Y227-I385 HydrophobicContact CD2-CG2 4.06Å; Y227-I385 HydrophobicContact CE1-CD1 3.68Å; Y227-I385 HydrophobicContact CE1-CG2 4.28Å; Y227-I385 HydrophobicContact CE2-CG2 3.46Å; Y227-I385 VanDerWaalsContact CE2-CG2 3.46Å; Y227-I385 WeakPolarHBondContact OH-CD1 3.49Å; Y227-I385 VanDerWaalsContact OH-CG1 3.31Å; Y227-I385 WeakPolarHBondContact OH-CG1 3.36Å; F333-I385 HydrophobicContact CD1-CD1 4.21Å; F333-I385 HydrophobicContact CE1-CD1 3.74Å; F333-I385 HydrophobicContact CE1-CG1 4.22Å; F333-I385 HydrophobicContact CE2-CD1 4.09Å; F333-I385 HydrophobicContact CZ-CD1 3.69Å; F333-I385 HydrophobicContact CZ-CG1 4.16Å; F337-I385 HydrophobicContact CD1-CD1 4.5Å; F337-I385 HydrophobicContact CE1-CD1 3.61Å; F337-I385 HydrophobicContact CE1-CG1 4.25Å; F337-I385 HydrophobicContact CZ-CB 4.38Å; F337-I385 HydrophobicContact CZ-CD1 4.01Å; F337-I385 HydrophobicContact CZ-CG1 4.31Å; V341-I385 HydrophobicContact CG1-CB 4.44Å; V341-I385 HydrophobicContact CG1-CD1 4.36Å; V341-I385 HydrophobicContact CG1-CG2 3.65Å; V341-I385 HydrophobicContact CG2-CB 4.09Å; V341-I385 HydrophobicContact CG2-CD1 3.93Å; V341-I385 HydrophobicContact CG2-CG2 4.18Å; L349-I385 HydrophobicContact CD1-CG2 3.94Å; L349-I385 HydrophobicContact CD2-CG2 3.85Å; L349-I385 HydrophobicContact CG-CG2 4.42Å; F383-I385 PolarHBondContact O-N 3.15Å; I385-Q387 PolarHBondContact O-N 3.26Å; I385-Q387 VanDerWaalsContact O-N 3.11Å; I385-F388 HydrophobicContact CB-CD2 4.19Å; I385-F388 HydrophobicContact CG2-CD2 4.45Å; I385-F388 PolarHBondContact O-N 3.32Å
386F98.7Very high97.4Very high2 Ų230.4 Ų30.41%0.00914%0.141CC..G310 helixtrans-56.5-31.7-178.9-69.3-2.5000112.4C275 A277 Y299 V301 H331 F333 F383 D384 F388 A389 F392C275-F386 WeakPolarHBondContact SG-CD1 3.12Å; A277-F386 HydrophobicContact CB-CE2 3.8Å; A277-F386 HydrophobicContact CB-CZ 3.84Å; Y299-F386 CarbonylContact O-C 3.59Å; Y299-F386 WeakPolarHBondContact O-CB 3.23Å; V301-F386 HydrophobicContact CG2-CD2 3.94Å; V301-F386 HydrophobicContact CG2-CE2 3.61Å; H331-F386 AromaticContact CD2-CZ 3.51Å; H331-F386 AromaticContact CG-CZ 3.93Å; H331-F386 AromaticContact NE2-CZ 3.65Å; F333-F386 HydrophobicContact CE1-CD1 4.24Å; F333-F386 AromaticContact CE1-CE1 3.86Å; F333-F386 HydrophobicContact CE1-CE1 3.86Å; F333-F386 HydrophobicContact CZ-CE1 4.02Å; F383-F386 HydrophobicContact CB-CD1 4.38Å; F383-F386 HydrophobicContact CB-CD2 4.08Å; F383-F386 HydrophobicContact CB-CE1 3.99Å; F383-F386 HydrophobicContact CB-CE2 3.66Å; F383-F386 HydrophobicContact CB-CG 4.43Å; F383-F386 HydrophobicContact CB-CZ 3.6Å; F383-F386 WeakPolarHBondContact O-CB 3.45Å; F383-F386 WeakPolarHBondContact O-CD1 3.19Å; F383-F386 WeakPolarHBondContact O-CG 3.31Å; F383-F386 PolarHBondContact O-N 3.25Å; D384-F386 VanDerWaalsContact C-N 3.29Å; D384-F386 PolarHBondContact O-N 3.49Å; F386-F388 PolarHBondContact O-N 3.48Å; F386-A389 WeakPolarHBondContact O-CB 3.48Å; F386-A389 PolarHBondContact O-N 3.11Å; F386-F392 HydrophobicContact CB-CD2 4.3Å; F386-F392 HydrophobicContact CB-CE2 4Å; F386-F392 AromaticContact CD1-CE2 3.91Å; F386-F392 HydrophobicContact CD1-CE2 3.91Å; F386-F392 AromaticContact CD2-CE2 3.53Å; F386-F392 HydrophobicContact CD2-CE2 3.53Å; F386-F392 AromaticContact CD2-CZ 3.64Å; F386-F392 HydrophobicContact CD2-CZ 3.64Å; F386-F392 HydrophobicContact CE1-CE2 4.23Å; F386-F392 AromaticContact CE2-CE2 3.88Å; F386-F392 HydrophobicContact CE2-CE2 3.88Å; F386-F392 AromaticContact CE2-CZ 3.88Å; F386-F392 HydrophobicContact CE2-CZ 3.88Å; F386-F392 HydrophobicContact CG-CD2 4.26Å; F386-F392 AromaticContact CG-CE2 3.54Å; F386-F392 HydrophobicContact CG-CE2 3.54Å; F386-F392 HydrophobicContact CG-CZ 4.13Å; F386-F392 HydrophobicContact CZ-CE2 4.21Å
387Q98.1Very high97.6Very high81 Ų8130.5 Ų30.538%0.37914%0.141SC..G310 helixtrans-64.2-19.717871.5-171.7-72.800113.6V298 Y299 D384 I385V298-Q387 HydrophobicContact CB-CB 4.24Å; V298-Q387 HydrophobicContact CG2-CB 4.42Å; Y299-Q387 WeakPolarHBondContact O-CA 3.43Å; Y299-Q387 PolarHBondContact O-N 3.2Å; Y299-Q387 VanDerWaalsContact O-N 3.09Å; D384-Q387 WeakPolarHBondContact O-CG 3.35Å; D384-Q387 PolarHBondContact O-NE2 2.92Å; I385-Q387 PolarHBondContact O-N 3.26Å; I385-Q387 VanDerWaalsContact O-N 3.11Å
388F98.6Very high97.8Very high33 Ų3330.8 Ų30.815%0.14515%0.146CC..G310 helixtrans-95.7-3.3179.9-52.4-59.1000113.4F337 Y345 Q348 L349 I385 F386F337-F388 HydrophobicContact CE2-CB 4.21Å; Y345-F388 HydrophobicContact CD1-CB 4.44Å; Y345-F388 AromaticContact CD1-CD1 3.8Å; Y345-F388 HydrophobicContact CD1-CD1 3.8Å; Y345-F388 HydrophobicContact CD1-CE1 4.16Å; Y345-F388 AromaticContact CD1-CG 4Å; Y345-F388 HydrophobicContact CD1-CG 4Å; Y345-F388 HydrophobicContact CD2-CB 3.83Å; Y345-F388 HydrophobicContact CD2-CD2 4.36Å; Y345-F388 HydrophobicContact CD2-CG 4.04Å; Y345-F388 HydrophobicContact CE1-CD1 4.23Å; Y345-F388 HydrophobicContact CE2-CB 4.02Å; Y345-F388 HydrophobicContact CG-CB 4.07Å; Y345-F388 HydrophobicContact CG-CD1 4.04Å; Y345-F388 AromaticContact CG-CD2 3.95Å; Y345-F388 HydrophobicContact CG-CD2 3.95Å; Y345-F388 HydrophobicContact CG-CE2 4.44Å; Y345-F388 AromaticContact CG-CG 3.75Å; Y345-F388 HydrophobicContact CG-CG 3.75Å; Q348-F388 HydrophobicContact CB-CZ 4.01Å; L349-F388 HydrophobicContact CD2-CE2 3.89Å; I385-F388 HydrophobicContact CB-CD2 4.19Å; I385-F388 HydrophobicContact CG2-CD2 4.45Å; I385-F388 PolarHBondContact O-N 3.32Å; F386-F388 PolarHBondContact O-N 3.48Å
389A98.6Very high98Very high23 Ų2334.2 Ų34.219%0.1916%0.158CC..  trans-66.9136.9-18000000111.5C275 F337 F386 F392C275-A389 HydrophobicContact CB-CB 3.46Å; C275-A389 VanDerWaalsContact CB-CB 3.46Å; F337-A389 HydrophobicContact CE2-CB 4.4Å; F337-A389 HydrophobicContact CZ-CB 4.23Å; F386-A389 WeakPolarHBondContact O-CB 3.48Å; F386-A389 PolarHBondContact O-N 3.11Å; A389-F392 HydrophobicContact CB-CB 4.19Å
390K98.4Very high98.3Very high159 Ų15936.5 Ų36.569%0.69117%0.169SC*.SBendtrans-74.6-34.7173.7-62.3166-171.1152.80110.5D274 D340D274-K390 PolarHBondContact OD1-N 2.79Å; D274-K390 WeakPolarHBondContact OD2-CB 3.45Å; D274-K390 PolarHBondContact OD2-N 3.03Å; D340-K390 IonicContact OD2-NZ 3.93Å; D340-K390 PolarHBondContact OD2-NZ 3Å; D340-K390 VanDerWaalsContact OD2-NZ 3.07Å
391K98.7Very high98.4Very high108 Ų10838.6 Ų38.647%0.4718%0.18SC..SBendtrans-145.597.6177.3-170.9168.7-169.5177.90111.2K271 G272 A273 D274K271-K391 WeakPolarHBondContact O-CD 3.37Å; K271-K391 WeakPolarHBondContact O-CE 3.45Å; K271-K391 PolarHBondContact O-NZ 3.29Å; G272-K391 WeakPolarHBondContact O-CD 3.43Å; A273-K391 WeakPolarHBondContact CA-O 3.48Å; A273-K391 WeakPolarHBondContact CB-O 3.35Å; D274-K391 PolarHBondContact N-O 2.92Å; D274-K391 VanDerWaalsContact OD1-C 3.27Å; D274-K391 WeakPolarHBondContact OD1-CA 3.47Å; D274-K391 PolarHBondContact OD1-N 3.37Å
392F98.9Very high98.6Very high8 Ų837.4 Ų37.44%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-88.2140.6176.7-173.6-102.9000112.5C275 A277 V292 Y299 F386 A389 V394C275-F392 HydrophobicContact CB-CD2 4.04Å; C275-F392 WeakPolarHBondContact O-CA 3.43Å; C275-F392 VanDerWaalsContact SG-CD2 3.56Å; A277-F392 HydrophobicContact CB-CE2 4.13Å; A277-F392 HydrophobicContact CB-CZ 3.68Å; V292-F392 HydrophobicContact CG1-CE1 3.91Å; V292-F392 HydrophobicContact CG1-CZ 4.02Å; Y299-F392 AromaticContact CD1-CD1 3.56Å; Y299-F392 HydrophobicContact CD1-CD1 3.56Å; Y299-F392 AromaticContact CD1-CE1 3.9Å; Y299-F392 HydrophobicContact CD1-CE1 3.9Å; Y299-F392 HydrophobicContact CD2-CB 3.59Å; Y299-F392 AromaticContact CD2-CD1 3.73Å; Y299-F392 HydrophobicContact CD2-CD1 3.73Å; Y299-F392 AromaticContact CD2-CG 3.95Å; Y299-F392 HydrophobicContact CD2-CG 3.95Å; Y299-F392 HydrophobicContact CE1-CD1 4.11Å; Y299-F392 HydrophobicContact CE2-CB 4.08Å; Y299-F392 HydrophobicContact CE2-CD1 4.26Å; Y299-F392 HydrophobicContact CG-CB 4.07Å; Y299-F392 AromaticContact CG-CD1 3.34Å; Y299-F392 HydrophobicContact CG-CD1 3.34Å; Y299-F392 AromaticContact CG-CE1 3.95Å; Y299-F392 HydrophobicContact CG-CE1 3.95Å; Y299-F392 AromaticContact CG-CG 3.88Å; Y299-F392 HydrophobicContact CG-CG 3.88Å; F386-F392 HydrophobicContact CB-CD2 4.3Å; F386-F392 HydrophobicContact CB-CE2 4Å; F386-F392 AromaticContact CD1-CE2 3.91Å; F386-F392 HydrophobicContact CD1-CE2 3.91Å; F386-F392 AromaticContact CD2-CE2 3.53Å; F386-F392 HydrophobicContact CD2-CE2 3.53Å; F386-F392 AromaticContact CD2-CZ 3.64Å; F386-F392 HydrophobicContact CD2-CZ 3.64Å; F386-F392 HydrophobicContact CE1-CE2 4.23Å; F386-F392 AromaticContact CE2-CE2 3.88Å; F386-F392 HydrophobicContact CE2-CE2 3.88Å; F386-F392 AromaticContact CE2-CZ 3.88Å; F386-F392 HydrophobicContact CE2-CZ 3.88Å; F386-F392 HydrophobicContact CG-CD2 4.26Å; F386-F392 AromaticContact CG-CE2 3.54Å; F386-F392 HydrophobicContact CG-CE2 3.54Å; F386-F392 HydrophobicContact CG-CZ 4.13Å; F386-F392 HydrophobicContact CZ-CE2 4.21Å; A389-F392 HydrophobicContact CB-CB 4.19Å; F392-V394 HydrophobicContact CD1-CG2 4.18Å; F392-V394 HydrophobicContact CE1-CG2 3.4Å; F392-V394 VanDerWaalsContact CE1-CG2 3.4Å; F392-V394 HydrophobicContact CZ-CG2 4.08Å
393V98.9Very high98.6Very high4 Ų438.6 Ų38.62%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-133.7156.2172.8-63.20000112.1V76 F267 K271 A273 C275 G276 A277V76-V393 WeakPolarHBondContact O-CA 3.44Å; F267-V393 HydrophobicContact CD1-CG2 4.26Å; F267-V393 HydrophobicContact CE1-CB 3.77Å; F267-V393 HydrophobicContact CE1-CG2 3.6Å; F267-V393 HydrophobicContact CZ-CB 4.08Å; F267-V393 HydrophobicContact CZ-CG2 4.36Å; K271-V393 HydrophobicContact CB-CG1 3.93Å; K271-V393 HydrophobicContact CG-CG1 4.34Å; A273-V393 HydrophobicContact CB-CB 4.36Å; A273-V393 HydrophobicContact CB-CG1 3.93Å; A273-V393 HydrophobicContact CB-CG2 3.55Å; C275-V393 PolarHBondContact O-N 2.79Å; C275-V393 VanDerWaalsContact O-N 3.11Å; G276-V393 CarbonylContact C-O 3.46Å; G276-V393 VanDerWaalsContact CA-O 3.25Å; G276-V393 WeakPolarHBondContact CA-O 3.35Å; A277-V393 PolarHBondContact N-O 3.37Å
394V98.9Very high98.6Very high0 Ų039 Ų390%018%0.184CC..EExtended strand (participates in β ladder)trans-121.3137.8176.8179.90000109.3V72 V76 L77 G78 F267 A277 V279 V292 F392V72-V394 HydrophobicContact CG1-CB 4.15Å; V72-V394 HydrophobicContact CG1-CG2 3.72Å; V72-V394 HydrophobicContact CG2-CG2 4.29Å; V76-V394 PolarHBondContact O-N 3.16Å; L77-V394 CarbonylContact C-O 3.52Å; L77-V394 WeakPolarHBondContact CA-O 3.35Å; L77-V394 HydrophobicContact CB-CB 4.46Å; L77-V394 HydrophobicContact CD1-CG1 4.28Å; L77-V394 HydrophobicContact CG-CB 4.29Å; L77-V394 HydrophobicContact CG-CG1 4.21Å; G78-V394 PolarHBondContact N-O 2.8Å; F267-V394 WeakPolarHBondContact CZ-O 3.34Å; A277-V394 CarbonylContact O-C 3.35Å; A277-V394 WeakPolarHBondContact O-CA 3.49Å; V279-V394 HydrophobicContact CB-CG1 4.38Å; V279-V394 HydrophobicContact CG1-CG1 3.91Å; V279-V394 HydrophobicContact CG2-CG1 3.51Å; V292-V394 HydrophobicContact CG1-CG2 3.98Å; F392-V394 HydrophobicContact CD1-CG2 4.18Å; F392-V394 HydrophobicContact CE1-CG2 3.4Å; F392-V394 VanDerWaalsContact CE1-CG2 3.4Å; F392-V394 HydrophobicContact CZ-CG2 4.08Å
395Y98.9Very high98.6Very high1 Ų138.3 Ų38.30%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-125.7110.8179.3-169.4-115.1000110.8G78 L87 W90 F264 F267 A277 K278 V279 V397G78-Y395 WeakPolarHBondContact O-CA 3.45Å; L87-Y395 VanDerWaalsContact CD2-OH 3.23Å; L87-Y395 WeakPolarHBondContact CD2-OH 3.15Å; W90-Y395 AromaticContact CE3-CE2 3.84Å; W90-Y395 HydrophobicContact CE3-CE2 3.84Å; W90-Y395 HydrophobicContact CH2-CE2 4.28Å; W90-Y395 AromaticContact CZ3-CE2 3.51Å; W90-Y395 HydrophobicContact CZ3-CE2 3.51Å; F264-Y395 HydrophobicContact CB-CD1 4.07Å; F264-Y395 HydrophobicContact CB-CE1 4.33Å; F264-Y395 AromaticContact CD2-CD1 3.76Å; F264-Y395 HydrophobicContact CD2-CD1 3.76Å; F264-Y395 AromaticContact CD2-CG 3.88Å; F264-Y395 HydrophobicContact CD2-CG 3.88Å; F264-Y395 HydrophobicContact CG-CD1 4.28Å; F267-Y395 HydrophobicContact CB-CD2 4.23Å; F267-Y395 HydrophobicContact CB-CE2 4.31Å; F267-Y395 AromaticContact CD1-CD2 3.71Å; F267-Y395 HydrophobicContact CD1-CD2 3.71Å; F267-Y395 HydrophobicContact CD1-CG 4.02Å; F267-Y395 HydrophobicContact CD2-CD2 4.01Å; F267-Y395 HydrophobicContact CD2-CE2 4.32Å; F267-Y395 HydrophobicContact CE1-CD2 4.01Å; F267-Y395 HydrophobicContact CE1-CG 4.34Å; F267-Y395 HydrophobicContact CE2-CD2 4.3Å; F267-Y395 AromaticContact CG-CD2 3.7Å; F267-Y395 HydrophobicContact CG-CD2 3.7Å; F267-Y395 HydrophobicContact CG-CE2 4.15Å; F267-Y395 HydrophobicContact CG-CG 4.39Å; F267-Y395 HydrophobicContact CZ-CD2 4.3Å; A277-Y395 PolarHBondContact O-N 3.02Å; K278-Y395 CarbonylContact C-O 3.45Å; K278-Y395 VanDerWaalsContact CA-O 3.29Å; K278-Y395 WeakPolarHBondContact CA-O 3.28Å; K278-Y395 HydrophobicContact CG-CD1 4.36Å; V279-Y395 PolarHBondContact N-O 3.2Å; Y395-V397 HydrophobicContact CD1-CG1 3.73Å; Y395-V397 HydrophobicContact CE1-CG1 3.55Å
396E98.9Very high98.5Very high25 Ų2538.4 Ų38.412%0.11718%0.181CC..EExtended strand (participates in β ladder)trans-86.7133.8179.7-178.6-174.9-133.100111.4L77 G78 S79 A80 R82 V279L77-E396 HydrophobicContact CD2-CB 4.4Å; G78-E396 PolarHBondContact O-N 3.33Å; S79-E396 WeakPolarHBondContact CA-O 3.43Å; S79-E396 WeakPolarHBondContact CB-OE2 3.29Å; S79-E396 PolarHBondContact OG-OE2 2.79Å; A80-E396 PolarHBondContact N-O 3.15Å; R82-E396 IonicContact CZ-OE2 3.87Å; R82-E396 IonicContact NE-OE2 3.82Å; R82-E396 IonicContact NH2-OE2 2.87Å; R82-E396 PolarHBondContact NH2-OE2 3.44Å; V279-E396 HydrophobicContact CG2-CB 4.07Å; V279-E396 WeakPolarHBondContact O-CA 3.22Å
397V98.9Very high98.3Very high5 Ų541.8 Ų41.83%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-130.4164.5176.2-59.30000111.3A80 K278 V279 V280 I328 Y395 E402A80-V397 HydrophobicContact CB-CG1 4.3Å; K278-V397 HydrophobicContact CD-CG1 4.03Å; K278-V397 HydrophobicContact CD-CG2 3.99Å; K278-V397 HydrophobicContact CG-CG1 4.09Å; K278-V397 HydrophobicContact CG-CG2 4Å; V279-V397 PolarHBondContact O-N 3.38Å; V280-V397 HydrophobicContact CG1-CG2 3.98Å; I328-V397 HydrophobicContact CD1-CG2 4.39Å; Y395-V397 HydrophobicContact CD1-CG1 3.73Å; Y395-V397 HydrophobicContact CE1-CG1 3.55Å; V397-E402 HydrophobicContact CB-CB 4.44Å; V397-E402 HydrophobicContact CB-CG 4.28Å; V397-E402 HydrophobicContact CG2-CB 3.74Å; V397-E402 HydrophobicContact CG2-CG 4.1Å
398L98.7Very high98.2Very high69 Ų6938 Ų3836%0.36118%0.178SC..  trans-75.3139.8172.4-65.1178.7000110.5E400 D401 E402L398-E400 HydrophobicContact CB-CG 4.25Å; L398-D401 PolarHBondContact O-N 3.24Å; L398-E402 PolarHBondContact O-N 3.4Å
399R98.5Very high98Very high76 Ų7637.1 Ų37.129%0.28718%0.177SC..Hα-helixtrans-73-35.5-175.781.3173.156.3-129.80.1111.9V280 E281 E287 D401 E402 F403V280-R399 HydrophobicContact CB-CB 4.23Å; V280-R399 HydrophobicContact CG1-CB 4.02Å; E281-R399 PolarHBondContact O-NH2 3.42Å; E287-R399 IonicContact OE1-CZ 3.71Å; E287-R399 IonicContact OE1-NH1 2.68Å; E287-R399 PolarHBondContact OE1-NH1 2.91Å; E287-R399 IonicContact OE1-NH2 2.78Å; E287-R399 PolarHBondContact OE1-NH2 3.08Å; E287-R399 IonicContact OE2-NH1 3.86Å; E287-R399 IonicContact OE2-NH2 3.67Å; E287-R399 PolarHBondContact OE2-NH2 3.34Å; R399-D401 PolarHBondContact O-N 3.49Å; R399-E402 PolarHBondContact O-N 2.74Å; R399-F403 HydrophobicContact CB-CB 4.35Å; R399-F403 CarbonylContact O-C 3.55Å; R399-F403 PolarHBondContact O-N 3.33Å
400E98.3Very high97.8Very high109 Ų10939.6 Ų39.651%0.50919%0.187SC..Hα-helixtrans-62.8-24.2-17955.4-91.2-142.400112.1L256 L398L256-E400 WeakPolarHBondContact CD1-O 3.27Å; L398-E400 HydrophobicContact CB-CG 4.25Å
401D98.5Very high97.6Very high51 Ų5137.4 Ų37.427%0.27319%0.191SC..Hα-helixtrans-93.3-28176.2-65.6-35.1000113.3L398 R399 L428L398-D401 PolarHBondContact O-N 3.24Å; R399-D401 PolarHBondContact O-N 3.49Å; D401-L428 WeakPolarHBondContact OD1-CD1 3.38Å
402E98.8Very high97.3Very high9 Ų936.2 Ų36.24%0.04219%0.188CC..Hα-helixtrans-137.1-7.4-162.1-61.9-157-151.200116.3N254 K258 K278 V397 L398 R399N254-E402 PolarHBondContact ND2-O 3.08Å; K258-E402 HydrophobicContact CD-CG 3.93Å; K258-E402 WeakPolarHBondContact CD-OE1 3.46Å; K258-E402 WeakPolarHBondContact CE-OE1 3.14Å; K258-E402 HydrophobicContact CG-CG 4.23Å; K258-E402 IonicContact NZ-OE1 2.74Å; K258-E402 PolarHBondContact NZ-OE1 2.73Å; K278-E402 WeakPolarHBondContact CD-OE2 3.37Å; K278-E402 IonicContact NZ-OE2 3.4Å; K278-E402 PolarHBondContact NZ-OE2 2.97Å; V397-E402 HydrophobicContact CB-CB 4.44Å; V397-E402 HydrophobicContact CB-CG 4.28Å; V397-E402 HydrophobicContact CG2-CB 3.74Å; V397-E402 HydrophobicContact CG2-CG 4.1Å; L398-E402 PolarHBondContact O-N 3.4Å; R399-E402 PolarHBondContact O-N 2.74Å
403F98.8Very high96.9Very high24 Ų2440.6 Ų40.611%0.10521%0.211CC..  trans-145.5103.5-176-171.3-117.2000114.8V280 V289 I328 R399 P405V280-F403 HydrophobicContact CG1-CB 3.95Å; V280-F403 HydrophobicContact CG2-CD1 4.16Å; V289-F403 HydrophobicContact CG1-CE1 4.29Å; V289-F403 HydrophobicContact CG1-CZ 4.35Å; I328-F403 HydrophobicContact CB-CD2 3.56Å; I328-F403 HydrophobicContact CB-CE2 3.75Å; I328-F403 HydrophobicContact CB-CG 4.05Å; I328-F403 HydrophobicContact CB-CZ 4.37Å; I328-F403 HydrophobicContact CD1-CB 4.49Å; I328-F403 HydrophobicContact CG2-CB 4.06Å; I328-F403 HydrophobicContact CG2-CD1 3.74Å; I328-F403 HydrophobicContact CG2-CD2 3.54Å; I328-F403 HydrophobicContact CG2-CE1 3.98Å; I328-F403 HydrophobicContact CG2-CE2 3.79Å; I328-F403 HydrophobicContact CG2-CG 3.5Å; I328-F403 VanDerWaalsContact CG2-CG 3.5Å; I328-F403 HydrophobicContact CG2-CZ 3.99Å; R399-F403 HydrophobicContact CB-CB 4.35Å; R399-F403 CarbonylContact O-C 3.55Å; R399-F403 PolarHBondContact O-N 3.33Å; F403-P405 HydrophobicContact CE1-CG 3.97Å; F403-P405 HydrophobicContact CE2-CB 4.05Å; F403-P405 HydrophobicContact CE2-CG 4.05Å; F403-P405 HydrophobicContact CZ-CB 4.05Å; F403-P405 HydrophobicContact CZ-CG 3.61Å
404S98.5Very high96.6Very high12 Ų1242.7 Ų42.78%0.08423%0.233CC..  trans-140.393.7166179.90000109.8N254 I255 A424N254-S404 PolarHBondContact OD1-N 2.95Å; N254-S404 PolarHBondContact OD1-O 3.46Å; I255-S404 PolarHBondContact N-O 3.06Å; S404-A424 WeakPolarHBondContact OG-CB 3.33Å
405P97.6Very high96.3Very high6 Ų648.4 Ų48.44%0.03926%0.258CS..BIsolated β-bridgetrans-80.3155.4-172.633.1-36.5000113.9D253 F403 K407 D416D253-P405 CarbonylContact O-C 3.49Å; D253-P405 WeakPolarHBondContact O-CA 3.45Å; F403-P405 HydrophobicContact CE1-CG 3.97Å; F403-P405 HydrophobicContact CE2-CB 4.05Å; F403-P405 HydrophobicContact CE2-CG 4.05Å; F403-P405 HydrophobicContact CZ-CB 4.05Å; F403-P405 HydrophobicContact CZ-CG 3.61Å; P405-K407 HydrophobicContact CB-CG 4.2Å; P405-D416 HydrophobicContact CG-CB 4.09Å; P405-D416 CarbonylContact O-C 3.54Å; P405-D416 VanDerWaalsContact O-CA 3.24Å; P405-D416 WeakPolarHBondContact O-CA 3.17Å; P405-D416 WeakPolarHBondContact O-CB 3.26Å
406L97.1Very high96.2Very high1 Ų150.3 Ų50.31%0.00527%0.268CS..  trans-110.893.8174179.562.5000110.7L116 K122 Y125 V127 L135 D253 P418L116-L406 HydrophobicContact CD1-CD1 4.36Å; L116-L406 HydrophobicContact CD1-CD2 3.78Å; L116-L406 HydrophobicContact CD1-CG 3.81Å; L116-L406 HydrophobicContact CD2-CD1 3.93Å; L116-L406 HydrophobicContact CD2-CG 4.05Å; K122-L406 PolarHBondContact NZ-O 3.48Å; Y125-L406 HydrophobicContact CD1-CD2 3.83Å; Y125-L406 HydrophobicContact CD2-CD2 4.45Å; Y125-L406 HydrophobicContact CE1-CD2 4.44Å; Y125-L406 HydrophobicContact CG-CD2 3.85Å; V127-L406 HydrophobicContact CG1-CD2 4.01Å; L135-L406 HydrophobicContact CD1-CD2 4.14Å; D253-L406 HydrophobicContact CB-CB 4.26Å; D253-L406 WeakPolarHBondContact CB-O 3.44Å; D253-L406 WeakPolarHBondContact O-CB 3.23Å; D253-L406 PolarHBondContact O-N 3.24Å; L406-P418 HydrophobicContact CD1-CB 4.48Å; L406-P418 HydrophobicContact CD1-CG 3.81Å
407K93.8Very high96.1Very high73 Ų7349.4 Ų49.432%0.31727%0.265SS..  trans-113.3-32.1-176.8-55.9-60.4-174.8-174.30113.4R115 D253 P405 D416R115-K407 VanDerWaalsContact CD-O 3.23Å; R115-K407 WeakPolarHBondContact CD-O 3.48Å; R115-K407 WeakPolarHBondContact CG-O 3.38Å; R115-K407 PolarHBondContact NE-O 3.4Å; D253-K407 WeakPolarHBondContact OD1-CE 3.33Å; D253-K407 IonicContact OD1-NZ 3.91Å; D253-K407 PolarHBondContact OD1-NZ 2.82Å; D253-K407 VanDerWaalsContact OD2-CD 3.28Å; D253-K407 WeakPolarHBondContact OD2-CD 3.4Å; D253-K407 WeakPolarHBondContact OD2-CE 3.32Å; D253-K407 IonicContact OD2-NZ 3.59Å; D253-K407 PolarHBondContact OD2-NZ 2.8Å; P405-K407 HydrophobicContact CB-CG 4.2Å; K407-D416 HydrophobicContact CB-CB 4.03Å; K407-D416 HydrophobicContact CG-CB 4.1Å; K407-D416 PolarHBondContact N-O 2.87Å
408N95.1Very high96.1Very high3 Ų349.4 Ų49.42%0.01626%0.264CS..SBendtrans-123.7151.4-168.3-53.9-61.2000112R115 L116 Q412 N413 K415 D416 N417 P418R115-N408 PolarHBondContact NE-OD1 3.06Å; R115-N408 PolarHBondContact NH2-OD1 2.83Å; L116-N408 VanDerWaalsContact CD2-C 3.41Å; L116-N408 VanDerWaalsContact CD2-O 3.31Å; L116-N408 WeakPolarHBondContact CD2-O 3.29Å; N408-Q412 HydrophobicContact CB-CB 4.22Å; N408-Q412 PolarHBondContact OD1-OE1 2.81Å; N408-N413 PolarHBondContact ND2-OD1 3.39Å; N408-N413 VanDerWaalsContact ND2-OD1 3.13Å; N408-K415 PolarHBondContact ND2-O 3.37Å; N408-D416 PolarHBondContact N-O 3.06Å; N408-N417 HydrophobicContact CB-CB 4.48Å; N408-N417 VanDerWaalsContact O-CA 3.23Å; N408-N417 WeakPolarHBondContact O-CA 3.39Å; N408-N417 VanDerWaalsContact O-CB 3.25Å; N408-N417 WeakPolarHBondContact O-CB 3.46Å; N408-P418 WeakPolarHBondContact O-CD 3.45Å
409A95.2Very high96Very high13 Ų1348 Ų4811%0.10726%0.259CS..  trans-70.8156.3162.900000110.2S411 Q412A409-S411 PolarHBondContact O-N 3.47Å; A409-S411 VanDerWaalsContact O-N 3.14Å; A409-Q412 HydrophobicContact CB-CG 4.4Å; A409-Q412 PolarHBondContact O-N 3.19Å; A409-Q412 VanDerWaalsContact O-N 3.11Å
410D93.8Very high96Very high75 Ų7546.6 Ų46.640%0.40126%0.259SS..THydrogen-bonded Turntrans-57.7-29.7178.4-72.3-54.3000112.8Q412 N417 T419D410-Q412 PolarHBondContact O-N 2.85Å; D410-N417 PolarHBondContact OD1-ND2 3.33Å; D410-N417 PolarHBondContact OD1-OD1 3.12Å; D410-T419 VanDerWaalsContact CG-OG1 3.28Å; D410-T419 WeakPolarHBondContact OD1-CB 3.41Å; D410-T419 PolarHBondContact OD1-N 2.81Å; D410-T419 PolarHBondContact OD1-OG1 3.21Å; D410-T419 PolarHBondContact OD2-OG1 3.19Å
411S94Very high96Very high113 Ų11341.5 Ų41.579%0.7924%0.235SC*.THydrogen-bonded Turntrans-74.9-0.3179.658.60000115.6A409A409-S411 PolarHBondContact O-N 3.47Å; A409-S411 VanDerWaalsContact O-N 3.14Å
412Q93.6Very high96Very high84 Ų8441.9 Ų41.939%0.39323%0.233SC..SBendtrans-95.7-131.5-177.4-66.2172.736.400111.8R115 N408 A409 D410 G414R115-Q412 PolarHBondContact O-NE2 2.94Å; N408-Q412 HydrophobicContact CB-CB 4.22Å; N408-Q412 PolarHBondContact OD1-OE1 2.81Å; A409-Q412 HydrophobicContact CB-CG 4.4Å; A409-Q412 PolarHBondContact O-N 3.19Å; A409-Q412 VanDerWaalsContact O-N 3.11Å; D410-Q412 PolarHBondContact O-N 2.85Å; Q412-G414 PolarHBondContact O-N 3.25Å
413N89.1Confident96Very high100 Ų10044.8 Ų44.854%0.53525%0.246SC..SBendtrans-79.310.3-170.265.5-22.4000114.8N408 K415N408-N413 PolarHBondContact ND2-OD1 3.39Å; N408-N413 VanDerWaalsContact ND2-OD1 3.13Å; N413-K415 VanDerWaalsContact C-N 3.32Å; N413-K415 PolarHBondContact O-N 3.13Å
414G92.9Very high96Very high47 Ų4744.9 Ų44.949%0.48525%0.251SS..SBendtrans71.812.6175.100000116.5Q412Q412-G414 PolarHBondContact O-N 3.25Å
415K93.7Very high96Very high121 Ų12144.4 Ų44.453%0.52625%0.248SC..SBendtrans-132.8159.7178-64.5-174.8-179.9-176.40111.4N408 N413 N417N408-K415 PolarHBondContact ND2-O 3.37Å; N413-K415 VanDerWaalsContact C-N 3.32Å; N413-K415 PolarHBondContact O-N 3.13Å; K415-N417 VanDerWaalsContact C-N 3.27Å; K415-N417 PolarHBondContact O-N 2.95Å
416D96.1Very high96Very high40 Ų4044.4 Ų44.421%0.21425%0.247CC..SBendtrans49.747.7173.3-46.1-43.6000112.4P405 K407 N408 T420P405-D416 HydrophobicContact CG-CB 4.09Å; P405-D416 CarbonylContact O-C 3.54Å; P405-D416 VanDerWaalsContact O-CA 3.24Å; P405-D416 WeakPolarHBondContact O-CA 3.17Å; P405-D416 WeakPolarHBondContact O-CB 3.26Å; K407-D416 HydrophobicContact CB-CB 4.03Å; K407-D416 HydrophobicContact CG-CB 4.1Å; K407-D416 PolarHBondContact N-O 2.87Å; N408-D416 PolarHBondContact N-O 3.06Å; D416-T420 WeakPolarHBondContact CA-OG1 3.46Å; D416-T420 PolarHBondContact N-OG1 2.8Å
417N97.5Very high96.1Very high7 Ų747.5 Ų47.54%0.03727%0.269CS..SBendtrans-123.8173.9-1746526.7000111.1N408 D410 K415 T419 T420 A421N408-N417 HydrophobicContact CB-CB 4.48Å; N408-N417 VanDerWaalsContact O-CA 3.23Å; N408-N417 WeakPolarHBondContact O-CA 3.39Å; N408-N417 VanDerWaalsContact O-CB 3.25Å; N408-N417 WeakPolarHBondContact O-CB 3.46Å; D410-N417 PolarHBondContact OD1-ND2 3.33Å; D410-N417 PolarHBondContact OD1-OD1 3.12Å; K415-N417 VanDerWaalsContact C-N 3.27Å; K415-N417 PolarHBondContact O-N 2.95Å; N417-T419 PolarHBondContact O-N 2.81Å; N417-T419 WeakPolarHBondContact OD1-CB 3.45Å; N417-T419 PolarHBondContact OD1-N 2.53Å; N417-T419 VanDerWaalsContact OD1-N 3.17Å; N417-T420 PolarHBondContact N-OG1 2.9Å; N417-T420 PolarHBondContact O-N 2.98Å; N417-T420 PolarHBondContact O-OG1 3.15Å; N417-T420 PolarHBondContact OD1-N 3.39Å; N417-T420 PolarHBondContact OD1-OG1 2.84Å; N417-A421 WeakPolarHBondContact O-CB 3.24Å; N417-A421 PolarHBondContact O-N 3.34Å
418P98.3Very high96.3Very high4 Ų444.5 Ų44.53%0.02626%0.257CS..Hα-helixtrans-53.1-38.8179.7-27.535.7000112.8Y125 V127 L406 N408 A421 R422Y125-P418 HydrophobicContact CE1-CB 4.11Å; Y125-P418 HydrophobicContact CE1-CG 3.62Å; V127-P418 HydrophobicContact CB-CB 4.3Å; V127-P418 HydrophobicContact CG1-CB 4.49Å; L406-P418 HydrophobicContact CD1-CB 4.48Å; L406-P418 HydrophobicContact CD1-CG 3.81Å; N408-P418 WeakPolarHBondContact O-CD 3.45Å; P418-A421 PolarHBondContact O-N 2.54Å; P418-R422 WeakPolarHBondContact O-CG 3.49Å; P418-R422 PolarHBondContact O-N 2.95Å
419T97.8Very high96.5Very high39 Ų3944.7 Ų44.724%0.23926%0.257CS..Hα-helixtrans-62.6-50.3177.9-58.90000113.4D410 N417 A421 R422 H423D410-T419 VanDerWaalsContact CG-OG1 3.28Å; D410-T419 WeakPolarHBondContact OD1-CB 3.41Å; D410-T419 PolarHBondContact OD1-N 2.81Å; D410-T419 PolarHBondContact OD1-OG1 3.21Å; D410-T419 PolarHBondContact OD2-OG1 3.19Å; N417-T419 PolarHBondContact O-N 2.81Å; N417-T419 WeakPolarHBondContact OD1-CB 3.45Å; N417-T419 PolarHBondContact OD1-N 2.53Å; N417-T419 VanDerWaalsContact OD1-N 3.17Å; T419-A421 VanDerWaalsContact C-N 3.3Å; T419-A421 PolarHBondContact O-N 3.14Å; T419-R422 VanDerWaalsContact CA-CZ 3.48Å; T419-R422 VanDerWaalsContact CG2-NH2 3.33Å; T419-R422 WeakPolarHBondContact O-CG 3.26Å; T419-R422 PolarHBondContact OG1-NH1 3.14Å; T419-R422 PolarHBondContact OG1-NH2 3.11Å; T419-H423 WeakPolarHBondContact O-CB 3.27Å; T419-H423 VanDerWaalsContact O-CG 3.3Å; T419-H423 PolarHBondContact O-N 2.78Å; T419-H423 VanDerWaalsContact O-N 3.14Å
420T97.9Very high96.7Very high48 Ų4844.6 Ų44.629%0.29426%0.255SS..Hα-helixtrans-64.4-37.617752.10000111.6D416 N417 A424D416-T420 WeakPolarHBondContact CA-OG1 3.46Å; D416-T420 PolarHBondContact N-OG1 2.8Å; N417-T420 PolarHBondContact N-OG1 2.9Å; N417-T420 PolarHBondContact O-N 2.98Å; N417-T420 PolarHBondContact O-OG1 3.15Å; N417-T420 PolarHBondContact OD1-N 3.39Å; N417-T420 PolarHBondContact OD1-OG1 2.84Å; T420-A424 VanDerWaalsContact O-CB 3.28Å; T420-A424 WeakPolarHBondContact O-CB 3.44Å; T420-A424 PolarHBondContact O-N 3.43Å
421A98.4Very high96.9Very high1 Ų143.5 Ų43.51%0.00825%0.253CS..Hα-helixtrans-64.4-51.9-179.700000112.4V127 I255 N417 P418 T419 H423 A424 L425V127-A421 HydrophobicContact CG1-CB 4.2Å; I255-A421 HydrophobicContact CB-CB 4.46Å; I255-A421 HydrophobicContact CD1-CB 4.37Å; I255-A421 HydrophobicContact CG2-CB 4.06Å; N417-A421 WeakPolarHBondContact O-CB 3.24Å; N417-A421 PolarHBondContact O-N 3.34Å; P418-A421 PolarHBondContact O-N 2.54Å; T419-A421 VanDerWaalsContact C-N 3.3Å; T419-A421 PolarHBondContact O-N 3.14Å; A421-H423 PolarHBondContact O-N 3.18Å; A421-A424 PolarHBondContact O-N 3.02Å; A421-L425 PolarHBondContact O-N 3.19Å
422R98.4Very high97.1Very high59 Ų5939.2 Ų39.222%0.22322%0.219CC..Hα-helixtrans-64.4-40.317971.1173.9175.2-84.3-8112V127 G128 L129 P418 T419 L425 M426V127-R422 HydrophobicContact CB-CB 4.44Å; V127-R422 HydrophobicContact CG2-CB 3.91Å; V127-R422 WeakPolarHBondContact O-CD 3.33Å; V127-R422 PolarHBondContact O-NH1 3.13Å; G128-R422 VanDerWaalsContact O-CD 3.32Å; G128-R422 WeakPolarHBondContact O-CD 3.24Å; L129-R422 HydrophobicContact CD2-CB 3.92Å; P418-R422 WeakPolarHBondContact O-CG 3.49Å; P418-R422 PolarHBondContact O-N 2.95Å; T419-R422 VanDerWaalsContact CA-CZ 3.48Å; T419-R422 VanDerWaalsContact CG2-NH2 3.33Å; T419-R422 WeakPolarHBondContact O-CG 3.26Å; T419-R422 PolarHBondContact OG1-NH1 3.14Å; T419-R422 PolarHBondContact OG1-NH2 3.11Å; R422-L425 PolarHBondContact O-N 3.45Å; R422-M426 HydrophobicContact CB-CE 4.42Å; R422-M426 HydrophobicContact CG-CE 4.23Å; R422-M426 WeakPolarHBondContact O-CB 3.23Å; R422-M426 WeakPolarHBondContact O-CG 3.25Å; R422-M426 PolarHBondContact O-N 3.08Å
423H98.2Very high97.4Very high70 Ų7035.2 Ų35.232%0.32420%0.2SC..Hα-helixtrans-67.3-37.8179.8-72.2168.3000111.9T419 A421 S427T419-H423 WeakPolarHBondContact O-CB 3.27Å; T419-H423 VanDerWaalsContact O-CG 3.3Å; T419-H423 PolarHBondContact O-N 2.78Å; T419-H423 VanDerWaalsContact O-N 3.14Å; A421-H423 PolarHBondContact O-N 3.18Å; H423-S427 WeakPolarHBondContact O-CB 3.22Å; H423-S427 PolarHBondContact O-N 2.68Å
424A98.5Very high97.8Very high26 Ų2632.7 Ų32.722%0.21519%0.187CC..Hα-helixtrans-62.2-47.317600000111.5L256 S404 T420 A421 S427 L428L256-A424 HydrophobicContact CD1-CB 4.23Å; S404-A424 WeakPolarHBondContact OG-CB 3.33Å; T420-A424 VanDerWaalsContact O-CB 3.28Å; T420-A424 WeakPolarHBondContact O-CB 3.44Å; T420-A424 PolarHBondContact O-N 3.43Å; A421-A424 PolarHBondContact O-N 3.02Å; A424-S427 PolarHBondContact O-N 2.79Å; A424-L428 WeakPolarHBondContact O-CB 3.46Å; A424-L428 PolarHBondContact O-N 3.24Å
425L98.8Very high98Very high3 Ų337.1 Ų37.12%0.01620%0.199CC..Hα-helixtrans-63.7-45.8177.8-172.171.8000111.9L129 I138 I255 L256 A421 R422 S427 L428 H429L129-L425 HydrophobicContact CD1-CD2 3.55Å; L129-L425 HydrophobicContact CD2-CB 4.44Å; L129-L425 HydrophobicContact CD2-CD2 3.81Å; L129-L425 HydrophobicContact CG-CD2 4.34Å; I138-L425 HydrophobicContact CD1-CD2 4.48Å; I255-L425 HydrophobicContact CD1-CB 4.17Å; I255-L425 HydrophobicContact CD1-CD2 3.98Å; I255-L425 HydrophobicContact CG1-CB 4.47Å; I255-L425 HydrophobicContact CG1-CD2 4.12Å; L256-L425 HydrophobicContact CD2-CB 4.04Å; L256-L425 HydrophobicContact CD2-CD1 3.55Å; L256-L425 HydrophobicContact CD2-CG 4.42Å; A421-L425 PolarHBondContact O-N 3.19Å; R422-L425 PolarHBondContact O-N 3.45Å; L425-S427 VanDerWaalsContact C-N 3.35Å; L425-S427 PolarHBondContact O-N 3.15Å; L425-L428 WeakPolarHBondContact O-CB 3.5Å; L425-L428 PolarHBondContact O-N 2.86Å; L425-H429 WeakPolarHBondContact CD1-NE2 3.44Å; L425-H429 WeakPolarHBondContact CG-NE2 3.45Å; L425-H429 PolarHBondContact O-CD2 2.97Å; L425-H429 PolarHBondContact O-N 3.17Å
426M98.6Very high98.3Very high5 Ų531.9 Ų31.93%0.02518%0.178CC..Hα-helixtrans-66.7-36.9-179.9-68.5-172.6-61.800112.6L129 P130 R422 H429 H430 Q480 C481L129-M426 HydrophobicContact CD2-CG 4.21Å; P130-M426 HydrophobicContact CG-SD 4.12Å; R422-M426 HydrophobicContact CB-CE 4.42Å; R422-M426 HydrophobicContact CG-CE 4.23Å; R422-M426 WeakPolarHBondContact O-CB 3.23Å; R422-M426 WeakPolarHBondContact O-CG 3.25Å; R422-M426 PolarHBondContact O-N 3.08Å; M426-H429 PolarHBondContact O-N 3.47Å; M426-H430 WeakPolarHBondContact O-CB 3.48Å; M426-H430 PolarHBondContact O-N 3.18Å; M426-Q480 HydrophobicContact CE-CG 4.18Å; M426-Q480 HydrophobicContact SD-CB 3.85Å; M426-Q480 HydrophobicContact SD-CG 3.89Å; M426-C481 WeakPolarHBondContact CA-O 3.44Å; M426-C481 WeakPolarHBondContact CB-O 3.3Å; M426-C481 WeakPolarHBondContact CG-O 3.32Å
427S98.5Very high98.4Very high66 Ų6631.3 Ų31.346%0.46218%0.182SC..Hα-helixtrans-65-40174.2-171.40000111.6H423 A424 L425 H430 C431H423-S427 WeakPolarHBondContact O-CB 3.22Å; H423-S427 PolarHBondContact O-N 2.68Å; A424-S427 PolarHBondContact O-N 2.79Å; L425-S427 VanDerWaalsContact C-N 3.35Å; L425-S427 PolarHBondContact O-N 3.15Å; S427-H430 PolarHBondContact O-N 3.21Å; S427-C431 PolarHBondContact O-N 2.98Å; S427-C431 PolarHBondContact O-SG 3.23Å
428L98.7Very high98.4Very high10 Ų1031 Ų315%0.05218%0.181CC..Hα-helixtrans-61.6-47.5175.9177.860.4000111.1L256 D401 A424 L425 C431 W432L256-L428 HydrophobicContact CD2-CD2 3.93Å; D401-L428 WeakPolarHBondContact OD1-CD1 3.38Å; A424-L428 WeakPolarHBondContact O-CB 3.46Å; A424-L428 PolarHBondContact O-N 3.24Å; L425-L428 WeakPolarHBondContact O-CB 3.5Å; L425-L428 PolarHBondContact O-N 2.86Å; L428-C431 WeakPolarHBondContact O-CB 3.34Å; L428-C431 PolarHBondContact O-N 3.22Å; L428-W432 HydrophobicContact CD1-CZ2 4.18Å; L428-W432 VanDerWaalsContact CD1-NE1 3.26Å; L428-W432 HydrophobicContact CD2-CH2 4.44Å; L428-W432 HydrophobicContact CD2-CZ2 3.71Å; L428-W432 HydrophobicContact CG-CD2 4.48Å; L428-W432 HydrophobicContact CG-CZ2 3.76Å; L428-W432 VanDerWaalsContact O-CD1 3.28Å; L428-W432 PolarHBondContact O-N 3Å
429H98.8Very high98.4Very high7 Ų733.4 Ų33.43%0.03219%0.192CC..Hα-helixtrans-67.3-36.3178.5-66.7-30.1000113.2L425 M426 C431 W432 V433 C481 I483L425-H429 WeakPolarHBondContact CD1-NE2 3.44Å; L425-H429 WeakPolarHBondContact CG-NE2 3.45Å; L425-H429 PolarHBondContact O-CD2 2.97Å; L425-H429 PolarHBondContact O-N 3.17Å; M426-H429 PolarHBondContact O-N 3.47Å; H429-C431 VanDerWaalsContact C-N 3.33Å; H429-C431 PolarHBondContact O-N 3.04Å; H429-W432 AromaticContact CE1-CE3 3.79Å; H429-W432 AromaticContact CE1-CH2 3.65Å; H429-W432 AromaticContact CE1-CZ3 3.26Å; H429-W432 WeakPolarHBondContact CE1-CZ3 3.16Å; H429-W432 AromaticContact ND1-CD2 3.8Å; H429-W432 AromaticContact ND1-CE3 3.17Å; H429-W432 AromaticContact ND1-CH2 3.76Å; H429-W432 AromaticContact ND1-CZ3 3.17Å; H429-W432 WeakPolarHBondContact ND1-CZ3 3.45Å; H429-W432 WeakPolarHBondContact O-CB 3.12Å; H429-W432 PolarHBondContact O-N 3.44Å; H429-W432 VanDerWaalsContact O-N 3.17Å; H429-V433 PolarHBondContact O-N 3.01Å; H429-C481 HydrophobicContact CB-CB 4.33Å; H429-I483 HydrophobicContact CB-CD1 4Å; H429-I483 HydrophobicContact CB-CG1 4.1Å; H429-I483 PolarHBondContact CD2-N 3.35Å; H429-I483 VanDerWaalsContact CD2-N 3.33Å; H429-I483 PolarHBondContact NE2-O 3.13Å
430H98.4Very high98.3Very high11 Ų1131.8 Ų31.85%0.05118%0.181CC..Hα-helixtrans-55.8-48.7169.1168.6-144.7000110.9M426 S427 W432 V433 L434 F440 A450 I479 C481M426-H430 WeakPolarHBondContact O-CB 3.48Å; M426-H430 PolarHBondContact O-N 3.18Å; S427-H430 PolarHBondContact O-N 3.21Å; H430-W432 VanDerWaalsContact C-N 3.3Å; H430-W432 PolarHBondContact O-N 3.33Å; H430-V433 PolarHBondContact O-N 3.36Å; H430-L434 WeakPolarHBondContact NE2-CD1 3.35Å; H430-L434 WeakPolarHBondContact O-CG 3.27Å; H430-L434 PolarHBondContact O-N 3.46Å; H430-L434 VanDerWaalsContact O-N 3.13Å; H430-F440 AromaticContact CD2-CD2 3.53Å; H430-F440 AromaticContact CD2-CE2 3.43Å; H430-F440 VanDerWaalsContact CD2-CE2 3.43Å; H430-F440 WeakPolarHBondContact CD2-CE2 3.43Å; H430-F440 AromaticContact NE2-CD2 3.88Å; H430-A450 PolarHBondContact CE1-O 3.25Å; H430-A450 VanDerWaalsContact CE1-O 3.24Å; H430-I479 HydrophobicContact CB-CG2 4.39Å; H430-C481 HydrophobicContact CB-CB 4.22Å
431C98.4Very high98.2Very high53 Ų5330.3 Ų30.336%0.35817%0.171SC..Hα-helixtrans-60-38.8175.7-68.70000112.4S427 L428 H429 L434 N435S427-C431 PolarHBondContact O-N 2.98Å; S427-C431 PolarHBondContact O-SG 3.23Å; L428-C431 WeakPolarHBondContact O-CB 3.34Å; L428-C431 PolarHBondContact O-N 3.22Å; H429-C431 VanDerWaalsContact C-N 3.33Å; H429-C431 PolarHBondContact O-N 3.04Å; C431-L434 PolarHBondContact O-N 3.44Å; C431-N435 WeakPolarHBondContact O-CB 3.41Å; C431-N435 PolarHBondContact O-N 3.45Å; C431-N435 PolarHBondContact O-ND2 2.95Å
432W98.8Very high97.9Very high22 Ų2232.8 Ų32.88%0.08318%0.184CC..Hα-helixtrans-62.3-43176.9-65.7-6.1000112.7L428 H429 H430 N435 A436 I483 Y489 A490 L494L428-W432 HydrophobicContact CD1-CZ2 4.18Å; L428-W432 VanDerWaalsContact CD1-NE1 3.26Å; L428-W432 HydrophobicContact CD2-CH2 4.44Å; L428-W432 HydrophobicContact CD2-CZ2 3.71Å; L428-W432 HydrophobicContact CG-CD2 4.48Å; L428-W432 HydrophobicContact CG-CZ2 3.76Å; L428-W432 VanDerWaalsContact O-CD1 3.28Å; L428-W432 PolarHBondContact O-N 3Å; H429-W432 AromaticContact CE1-CE3 3.79Å; H429-W432 AromaticContact CE1-CH2 3.65Å; H429-W432 AromaticContact CE1-CZ3 3.26Å; H429-W432 WeakPolarHBondContact CE1-CZ3 3.16Å; H429-W432 AromaticContact ND1-CD2 3.8Å; H429-W432 AromaticContact ND1-CE3 3.17Å; H429-W432 AromaticContact ND1-CH2 3.76Å; H429-W432 AromaticContact ND1-CZ3 3.17Å; H429-W432 WeakPolarHBondContact ND1-CZ3 3.45Å; H429-W432 WeakPolarHBondContact O-CB 3.12Å; H429-W432 PolarHBondContact O-N 3.44Å; H429-W432 VanDerWaalsContact O-N 3.17Å; H430-W432 VanDerWaalsContact C-N 3.3Å; H430-W432 PolarHBondContact O-N 3.33Å; W432-N435 PolarHBondContact O-N 2.87Å; W432-A436 WeakPolarHBondContact O-CB 3.47Å; W432-A436 PolarHBondContact O-N 3.44Å; W432-I483 HydrophobicContact CB-CD1 4.21Å; W432-I483 HydrophobicContact CE3-CD1 4.01Å; W432-Y489 WeakPolarHBondContact CH2-O 3.33Å; W432-A490 VanDerWaalsContact CZ2-C 3.42Å; W432-L494 HydrophobicContact CB-CD1 3.67Å
433V98.7Very high97.5Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-60.2-47.3175.6172.40000110.9H429 H430 A436 G437 G438 F440 I483 V498 L507H429-V433 PolarHBondContact O-N 3.01Å; H430-V433 PolarHBondContact O-N 3.36Å; V433-A436 PolarHBondContact O-N 3.38Å; V433-G437 PolarHBondContact O-N 3.19Å; V433-G438 WeakPolarHBondContact O-CA 3.49Å; V433-G438 PolarHBondContact O-N 2.97Å; V433-F440 HydrophobicContact CB-CE2 3.9Å; V433-F440 HydrophobicContact CB-CZ 4.34Å; V433-F440 HydrophobicContact CG1-CE2 3.69Å; V433-F440 HydrophobicContact CG1-CZ 4.2Å; V433-F440 HydrophobicContact CG2-CE2 4.4Å; V433-F440 HydrophobicContact CG2-CZ 4.35Å; V433-I483 HydrophobicContact CG2-CD1 4.08Å; V433-V498 HydrophobicContact CG1-CB 4.13Å; V433-V498 HydrophobicContact CG1-CG1 4.2Å; V433-V498 HydrophobicContact CG1-CG2 4.27Å; V433-V498 HydrophobicContact CG2-CG1 4.36Å; V433-L507 HydrophobicContact CG2-CD2 4.3Å
434L98.3Very high97.1Very high48 Ų4841.6 Ų41.625%0.25123%0.233SC..Hα-helixtrans-62.1-45178.5-64.4-174000112.1H430 C431 A436 G437 G438 F440 A450H430-L434 WeakPolarHBondContact NE2-CD1 3.35Å; H430-L434 WeakPolarHBondContact O-CG 3.27Å; H430-L434 PolarHBondContact O-N 3.46Å; H430-L434 VanDerWaalsContact O-N 3.13Å; C431-L434 PolarHBondContact O-N 3.44Å; L434-A436 PolarHBondContact O-N 2.97Å; L434-G437 PolarHBondContact O-N 2.92Å; L434-G438 WeakPolarHBondContact CD2-O 3.39Å; L434-F440 HydrophobicContact CD2-CD2 4.34Å; L434-A450 HydrophobicContact CD1-CB 3.74Å
435N98.3Very high96.8Very high139 Ų13942 Ų4274%0.74324%0.24SC*.Hα-helixtrans-64.8-27.8179.2-71.6-19.3000112.5C431 W432 G437C431-N435 WeakPolarHBondContact O-CB 3.41Å; C431-N435 PolarHBondContact O-N 3.45Å; C431-N435 PolarHBondContact O-ND2 2.95Å; W432-N435 PolarHBondContact O-N 2.87Å; N435-G437 VanDerWaalsContact C-N 3.29Å
436A98.5Very high96.5Very high11 Ų1145.1 Ų45.19%0.09126%0.261CS..THydrogen-bonded Turntrans-86.47.417500000113.9W432 V433 L434 L494 V498W432-A436 WeakPolarHBondContact O-CB 3.47Å; W432-A436 PolarHBondContact O-N 3.44Å; V433-A436 PolarHBondContact O-N 3.38Å; L434-A436 PolarHBondContact O-N 2.97Å; A436-L494 HydrophobicContact CB-CB 3.71Å; A436-V498 HydrophobicContact CB-CG2 3.58Å
437G98.3Very high96.3Very high29 Ų2951.8 Ų51.830%0.29929%0.286SS..THydrogen-bonded Turntrans87.511.6175.700000115.3V433 L434 N435 D500V433-G437 PolarHBondContact O-N 3.19Å; L434-G437 PolarHBondContact O-N 2.92Å; N435-G437 VanDerWaalsContact C-N 3.29Å; G437-D500 PolarHBondContact O-N 2.9Å
438G98.2Very high96Very high0 Ų051.8 Ų51.80%028%0.281CS..  trans-87.1164.9172.400000113.1V433 L434 V498V433-G438 WeakPolarHBondContact O-CA 3.49Å; V433-G438 PolarHBondContact O-N 2.97Å; L434-G438 WeakPolarHBondContact CD2-O 3.39Å; G438-V498 WeakPolarHBondContact CA-O 3.3Å
439H97.9Very high95.6Very high55 Ų5554.7 Ų54.726%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-137.6154.4-179-63-60.9000112.1R447 K501 E502 F503H439-R447 VanDerWaalsContact CD2-CZ 3.4Å; H439-R447 PolarHBondContact CD2-NH1 2.91Å; H439-R447 VanDerWaalsContact CD2-NH1 3.32Å; H439-R447 PolarHBondContact NE2-NH1 3.27Å; H439-K501 PolarHBondContact N-O 2.86Å; H439-E502 HydrophobicContact CB-CG 3.94Å; H439-E502 CarbonylContact O-C 3.6Å; H439-E502 WeakPolarHBondContact O-CA 3.34Å; H439-F503 PolarHBondContact O-N 3.18Å
440F96.7Very high95Very high4 Ų457.3 Ų57.32%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-108.3143.7172-72.2-92000110.5H430 V433 L434 R447 L448 I479 C481 F503 A505 L507H430-F440 AromaticContact CD2-CD2 3.53Å; H430-F440 AromaticContact CD2-CE2 3.43Å; H430-F440 VanDerWaalsContact CD2-CE2 3.43Å; H430-F440 WeakPolarHBondContact CD2-CE2 3.43Å; H430-F440 AromaticContact NE2-CD2 3.88Å; V433-F440 HydrophobicContact CB-CE2 3.9Å; V433-F440 HydrophobicContact CB-CZ 4.34Å; V433-F440 HydrophobicContact CG1-CE2 3.69Å; V433-F440 HydrophobicContact CG1-CZ 4.2Å; V433-F440 HydrophobicContact CG2-CE2 4.4Å; V433-F440 HydrophobicContact CG2-CZ 4.35Å; L434-F440 HydrophobicContact CD2-CD2 4.34Å; F440-R447 CarbonylContact O-C 3.58Å; F440-R447 WeakPolarHBondContact O-CA 3.19Å; F440-L448 HydrophobicContact CB-CB 4.4Å; F440-L448 HydrophobicContact CB-CD1 4.22Å; F440-L448 PolarHBondContact O-N 3.33Å; F440-I479 HydrophobicContact CB-CD1 3.92Å; F440-I479 HydrophobicContact CD1-CG2 3.6Å; F440-I479 HydrophobicContact CD2-CD1 4.44Å; F440-I479 HydrophobicContact CD2-CG2 4.13Å; F440-I479 HydrophobicContact CE1-CG2 3.61Å; F440-I479 HydrophobicContact CE2-CG2 4.18Å; F440-I479 HydrophobicContact CG-CD1 4.13Å; F440-I479 HydrophobicContact CG-CG2 3.86Å; F440-I479 HydrophobicContact CZ-CG2 3.91Å; F440-C481 HydrophobicContact CE1-CB 4.41Å; F440-C481 HydrophobicContact CZ-CB 3.88Å; F440-F503 CarbonylContact C-O 3.54Å; F440-F503 VanDerWaalsContact CA-O 3.29Å; F440-F503 WeakPolarHBondContact CA-O 3.46Å; F440-F503 HydrophobicContact CD1-CB 4.41Å; F440-F503 HydrophobicContact CE1-CB 4.45Å; F440-A505 HydrophobicContact CD1-CB 4.17Å; F440-A505 HydrophobicContact CE1-CB 4.39Å; F440-L507 HydrophobicContact CE1-CB 3.86Å; F440-L507 HydrophobicContact CE1-CD2 3.86Å; F440-L507 HydrophobicContact CZ-CB 4.36Å; F440-L507 HydrophobicContact CZ-CD2 3.75Å
441I95.4Very high94.5Very high17 Ų1763.7 Ų63.79%0.08736%0.356CS..EExtended strand (participates in β ladder)trans-127.4150.5-177.650.3168.6000112S446 R447 E502 F503I441-S446 CarbonylContact C-O 3.57Å; I441-S446 VanDerWaalsContact CA-O 3.26Å; I441-S446 WeakPolarHBondContact CA-O 3.48Å; I441-R447 HydrophobicContact CG2-CG 4.12Å; I441-E502 HydrophobicContact CD1-CB 3.98Å; I441-E502 HydrophobicContact CG1-CB 4.2Å; I441-E502 HydrophobicContact CG2-CB 3.88Å; I441-E502 HydrophobicContact CG2-CG 3.95Å; I441-F503 WeakPolarHBondContact CG1-O 3.29Å; I441-F503 PolarHBondContact N-O 2.83Å
442D91.6Very high93.5Very high54 Ų5463.1 Ų63.129%0.28935%0.352SS..  trans-76.6-179.6170.273.38.4000112.1N444 G445 S446 L448 H504D442-N444 PolarHBondContact O-N 3.45Å; D442-N444 WeakPolarHBondContact OD1-CA 3.44Å; D442-N444 WeakPolarHBondContact OD1-CB 3.48Å; D442-N444 PolarHBondContact OD1-N 3.14Å; D442-G445 PolarHBondContact O-N 2.91Å; D442-G445 PolarHBondContact OD1-N 3Å; D442-G445 VanDerWaalsContact OD1-N 3.15Å; D442-S446 PolarHBondContact N-O 2.68Å; D442-S446 WeakPolarHBondContact OD1-CB 3.22Å; D442-S446 PolarHBondContact OD1-N 2.84Å; D442-L448 HydrophobicContact CB-CD2 3.99Å; D442-H504 PolarHBondContact O-CE1 2.83Å; D442-H504 PolarHBondContact O-ND1 2.86Å
443E89.1Confident92Very high173 Ų17373 Ų7381%0.80839%0.389SS*.THydrogen-bonded Turntrans-58.9-19.5-180-62.2-179.9172.400113.8
444N91.6Very high90.1Very high141 Ų14175.8 Ų75.875%0.75441%0.408SS*.THydrogen-bonded Turntrans-98.74.5179-58-56.4000112.9D442 S446D442-N444 PolarHBondContact O-N 3.45Å; D442-N444 WeakPolarHBondContact OD1-CA 3.44Å; D442-N444 WeakPolarHBondContact OD1-CB 3.48Å; D442-N444 PolarHBondContact OD1-N 3.14Å; N444-S446 VanDerWaalsContact C-N 3.32Å
445G90.8Very high87.5Confident35 Ų3577.2 Ų77.236%0.36143%0.427SS..SBendtrans78.313.4-17600000114.1D442D442-G445 PolarHBondContact O-N 2.91Å; D442-G445 PolarHBondContact OD1-N 3Å; D442-G445 VanDerWaalsContact OD1-N 3.15Å
446S93.4Very high84.6Confident67 Ų6776 Ų7647%0.46943%0.425SS..PPolyproline II helixtrans-83.7132.3176.5-59.80000110.6I441 D442 N444 L448I441-S446 CarbonylContact C-O 3.57Å; I441-S446 VanDerWaalsContact CA-O 3.26Å; I441-S446 WeakPolarHBondContact CA-O 3.48Å; D442-S446 PolarHBondContact N-O 2.68Å; D442-S446 WeakPolarHBondContact OD1-CB 3.22Å; D442-S446 PolarHBondContact OD1-N 2.84Å; N444-S446 VanDerWaalsContact C-N 3.32Å; S446-L448 PolarHBondContact O-N 3.25Å
447R94.3Very high81.7Confident146 Ų14683.3 Ų83.355%0.55146%0.463SS*.BIsolated β-bridgetrans-62.2128.2-179.3-68.7-176.9-178.3-163.7-5.7111.9H439 F440 I441 E502H439-R447 VanDerWaalsContact CD2-CZ 3.4Å; H439-R447 PolarHBondContact CD2-NH1 2.91Å; H439-R447 VanDerWaalsContact CD2-NH1 3.32Å; H439-R447 PolarHBondContact NE2-NH1 3.27Å; F440-R447 CarbonylContact O-C 3.58Å; F440-R447 WeakPolarHBondContact O-CA 3.19Å; I441-R447 HydrophobicContact CG2-CG 4.12Å; R447-E502 IonicContact CZ-OE1 3.71Å; R447-E502 IonicContact NE-OE1 3.71Å; R447-E502 PolarHBondContact NE-OE1 3.48Å; R447-E502 IonicContact NH2-OE1 3.63Å; R447-E502 PolarHBondContact NH2-OE1 3.17Å
448L92.5Very high78.8Confident66 Ų6685.6 Ų85.635%0.34649%0.486SS..PPolyproline II helixtrans-75.9142.8172.8-63.8178000110.1F440 D442 S446 I479F440-L448 HydrophobicContact CB-CB 4.4Å; F440-L448 HydrophobicContact CB-CD1 4.22Å; F440-L448 PolarHBondContact O-N 3.33Å; D442-L448 HydrophobicContact CB-CD2 3.99Å; S446-L448 PolarHBondContact O-N 3.25Å; L448-I479 HydrophobicContact CB-CD1 4.11Å; L448-I479 HydrophobicContact CD1-CD1 3.93Å; L448-I479 HydrophobicContact CD1-CG1 3.99Å
449P90.6Very high75.6Confident70 Ų7095 Ų9546%0.45553%0.527SS..PPolyproline II helixtrans-68.8152.3173.330.4-34.9000110.9I451P449-I451 PolarHBondContact O-N 3.2Å; P449-I451 VanDerWaalsContact O-N 3.12Å
450A86.1Confident72.8Confident63 Ų6397.9 Ų97.952%0.52155%0.553SS.*SBendtrans-57.5-28.5178.300000113.6H430 L434H430-A450 PolarHBondContact CE1-O 3.25Å; H430-A450 VanDerWaalsContact CE1-O 3.24Å; L434-A450 HydrophobicContact CD1-CB 3.74Å
451I87.2Confident69.7Low145 Ų145106 Ų10674%0.74459%0.591SS**SBendtrans-116.2106.1171-57.5176.6000107.1P449P449-I451 PolarHBondContact O-N 3.2Å; P449-I451 VanDerWaalsContact O-N 3.12Å
452P77.8Confident67.1Low41 Ų41111.6 Ų111.627%0.26663%0.627SS.*  trans-58.4145.6177-2332.6000111.2S454 I479P452-S454 PolarHBondContact O-N 3.48Å; P452-I479 HydrophobicContact CG-CD1 4.33Å; P452-I479 HydrophobicContact CG-CG1 4.34Å
453R67.7Low64.4Low229 Ų229116.1 Ų116.186%0.86465%0.649SS**  trans-78.254.3176-67.8-177.5172.8176.5-1.5111.4
454S58.8Low61.7Low58 Ų58114.3 Ų114.341%0.40665%0.65SS.*  trans-80.3144.1176.447.90000112.2P452 T456P452-S454 PolarHBondContact O-N 3.48Å; S454-T456 PolarHBondContact O-N 3.17Å; S454-T456 VanDerWaalsContact O-N 3.08Å
455A42.9Very low59.2Low78 Ų78112.1 Ų112.165%0.64565%0.651SS**  trans-50.6102.8-168.400000115.8N457A455-N457 PolarHBondContact O-N 3.25Å
456T36.7Very low56.3Low115 Ų115118.3 Ų118.371%0.70668%0.676SS**  trans-69.6125.1159.450.50000109.8S454 G458S454-T456 PolarHBondContact O-N 3.17Å; S454-T456 VanDerWaalsContact O-N 3.08Å; T456-G458 PolarHBondContact O-N 3.44Å
457N37.8Very low53.6Low164 Ų164121.3 Ų121.388%0.87769%0.692SS**  trans-45.1133.6168.4-81.1-30.2000111A455 K459A455-N457 PolarHBondContact O-N 3.25Å; N457-K459 PolarHBondContact O-N 2.73Å
458G37.8Very low50.6Low77 Ų77121.9 Ų121.979%0.79471%0.705SS**  trans-48.2115-16400000115.2T456T456-G458 PolarHBondContact O-N 3.44Å
459K31.8Very low47.9Very low198 Ų198127.3 Ų127.386%0.86173%0.729SS**  trans-134121.8139.7-79.4-169.3176.4177.80108.1N457 E461N457-K459 PolarHBondContact O-N 2.73Å; K459-E461 PolarHBondContact O-N 3.05Å
460S38.1Very low45.3Very low115 Ų115131.5 Ų131.580%0.80475%0.748SS**  trans-61115.3174.7-174.70000109.1
461E32.9Very low43Very low174 Ų174135.2 Ų135.281%0.81376%0.758SS**  trans-112.3114.1152.1-78.6-171.6172.800107.2K459 I463K459-E461 PolarHBondContact O-N 3.05Å; E461-I463 PolarHBondContact O-N 3.36Å
462T39.5Very low41.2Very low135 Ų135135.4 Ų135.483%0.82875%0.753SS**  trans-60.2109.1172390000109.5
463I34.5Very low40.1Very low149 Ų149138.3 Ų138.376%0.76477%0.766SS**  trans-123.4130.6162-59.2-179.8000107.8E461E461-I463 PolarHBondContact O-N 3.36Å
464T33.3Very low39.3Very low134 Ų134132.8 Ų132.882%0.82277%0.77SS**  trans-55146.2-173.639.90000113.8D466T464-D466 PolarHBondContact O-N 3.32Å
465A38Very low39.4Very low95 Ų95136.1 Ų136.179%0.78578%0.783SS**  trans-57123.1-178.100000112.9
466D30.2Very low40.8Very low165 Ų165136.8 Ų136.888%0.88278%0.776SS**  trans-143.2138.6141.9-97.2-31.6000108.9T464 N468T464-D466 PolarHBondContact O-N 3.32Å; D466-N468 PolarHBondContact O-N 3.26Å
467V37.5Very low42.8Very low131 Ų131136.1 Ų136.179%0.79477%0.771SS**SBendtrans-80.9105.6-155.9-177.40000111.1
468N30.9Very low45.2Very low157 Ų157130.7 Ų130.784%0.8475%0.745SS**  trans-166.879.6146.5-96.1-15.5000108.9D466 N470D466-N468 PolarHBondContact O-N 3.26Å; N468-N470 PolarHBondContact O-N 2.99Å; N468-N470 VanDerWaalsContact O-N 3.17Å
469H35Very low47.8Very low180 Ų180127.7 Ų127.783%0.83371%0.711SS**  trans-74.695.2175.7-109.1-63.2000109.9
470N35.8Very low50.9Low159 Ų159121.2 Ų121.285%0.8568%0.684SS**  trans-81.9111.5151.6-81.2-7.1000107.3N468N468-N470 PolarHBondContact O-N 2.99Å; N468-N470 VanDerWaalsContact O-N 3.17Å
471L38.2Very low53.8Low140 Ų140115.8 Ų115.873%0.73365%0.645SS**  trans-55135173.3-74.1140.9000109.1D473L471-D473 PolarHBondContact O-N 3.39Å
472K50.3Low56.9Low149 Ų149107.7 Ų107.765%0.64861%0.608SS**  trans-68.2111.5172.8-63.8179.3178.5-179.20107.7
473D53.7Low59.8Low102 Ų102101.3 Ų101.355%0.54557%0.569SS.*  trans-88.1144.6-179.8-77.4-24.9000110.6L471 N475 D476L471-D473 PolarHBondContact O-N 3.39Å; D473-N475 HydrophobicContact CB-CB 4.44Å; D473-N475 PolarHBondContact O-N 2.89Å; D473-D476 PolarHBondContact O-N 3.32Å; D473-D476 VanDerWaalsContact O-N 3.11Å
474A51.9Low62.8Low113 Ų11394.4 Ų94.493%0.93453%0.533SS*.THydrogen-bonded Turntrans-60.6-2.6171.700000113.5
475N61.1Low65.9Low128 Ų12888.5 Ų88.568%0.68450%0.497SS*.THydrogen-bonded Turntrans-100.7-0.8-179.6-62.6-31.3000113.6D473 V477D473-N475 HydrophobicContact CB-CB 4.44Å; D473-N475 PolarHBondContact O-N 2.89Å; N475-V477 PolarHBondContact O-N 3.18Å
476D72.3Confident68.8Low93 Ų9385.6 Ų85.650%0.49747%0.468SS..  trans-67.6101.1176.6-80.3-20000110.6D473D473-D476 PolarHBondContact O-N 3.32Å; D473-D476 VanDerWaalsContact O-N 3.11Å
477V78.4Confident72.1Confident100 Ų10078.6 Ų78.661%0.60643%0.431SS*.PPolyproline II helixtrans-101.2145.4173.9-69.10000110.5N475N475-V477 PolarHBondContact O-N 3.18Å
478P87.6Confident75Confident51 Ų5172.4 Ų72.433%0.33139%0.393SS..PPolyproline II helixtrans-60.5153.417227.3-34.1000110.5Q480P478-Q480 PolarHBondContact O-N 2.95Å; P478-Q480 VanDerWaalsContact O-N 3.16Å
479I93.7Very high78.3Confident14 Ų1465.7 Ų65.77%0.07236%0.356CS..PPolyproline II helixtrans-53.9121.7175.9-69.2167.8000109H430 F440 L448 P452 A505H430-I479 HydrophobicContact CB-CG2 4.39Å; F440-I479 HydrophobicContact CB-CD1 3.92Å; F440-I479 HydrophobicContact CD1-CG2 3.6Å; F440-I479 HydrophobicContact CD2-CD1 4.44Å; F440-I479 HydrophobicContact CD2-CG2 4.13Å; F440-I479 HydrophobicContact CE1-CG2 3.61Å; F440-I479 HydrophobicContact CE2-CG2 4.18Å; F440-I479 HydrophobicContact CG-CD1 4.13Å; F440-I479 HydrophobicContact CG-CG2 3.86Å; F440-I479 HydrophobicContact CZ-CG2 3.91Å; L448-I479 HydrophobicContact CB-CD1 4.11Å; L448-I479 HydrophobicContact CD1-CD1 3.93Å; L448-I479 HydrophobicContact CD1-CG1 3.99Å; P452-I479 HydrophobicContact CG-CD1 4.33Å; P452-I479 HydrophobicContact CG-CG1 4.34Å; I479-A505 HydrophobicContact CG2-CB 4.1Å
480Q96.6Very high81.3Confident62 Ų6258.4 Ų58.429%0.2933%0.327SS..  trans-93.1115.8175.5-64.2-175.6-0.400108.6M426 P478 P506 L507M426-Q480 HydrophobicContact CE-CG 4.18Å; M426-Q480 HydrophobicContact SD-CB 3.85Å; M426-Q480 HydrophobicContact SD-CG 3.89Å; P478-Q480 PolarHBondContact O-N 2.95Å; P478-Q480 VanDerWaalsContact O-N 3.16Å; Q480-P506 HydrophobicContact CB-CB 3.77Å; Q480-P506 HydrophobicContact CB-CG 4.14Å; Q480-P506 VanDerWaalsContact O-CA 3.3Å; Q480-P506 WeakPolarHBondContact O-CA 3.28Å; Q480-P506 VanDerWaalsContact OE1-CG 3.3Å; Q480-L507 PolarHBondContact O-N 3.42Å
481C98.3Very high84.2Confident0 Ų051.8 Ų51.80%030%0.297CS..EExtended strand (participates in β ladder)trans-137.3130.3177.5-177.60000108.5M426 H429 H430 F440 L507M426-C481 WeakPolarHBondContact CA-O 3.44Å; M426-C481 WeakPolarHBondContact CB-O 3.3Å; M426-C481 WeakPolarHBondContact CG-O 3.32Å; H429-C481 HydrophobicContact CB-CB 4.33Å; H430-C481 HydrophobicContact CB-CB 4.22Å; F440-C481 HydrophobicContact CE1-CB 4.41Å; F440-C481 HydrophobicContact CZ-CB 3.88Å; C481-L507 CarbonylContact C-O 3.56Å; C481-L507 WeakPolarHBondContact CA-O 3.19Å
482E98.8Very high87.1Confident5 Ų548.9 Ų48.92%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-131129.4174.4-167.8-175.4167.200110.7P130 S131 L507 I508 I509P130-E482 VanDerWaalsContact CD-OE2 3.24Å; P130-E482 WeakPolarHBondContact CD-OE2 3.43Å; P130-E482 HydrophobicContact CG-CB 4.27Å; S131-E482 WeakPolarHBondContact CB-OE1 3.33Å; S131-E482 VanDerWaalsContact CB-OE2 3.27Å; S131-E482 WeakPolarHBondContact CB-OE2 3.32Å; S131-E482 PolarHBondContact N-OE2 3.06Å; S131-E482 PolarHBondContact OG-OE1 3.41Å; S131-E482 PolarHBondContact OG-OE2 3.32Å; S131-E482 VanDerWaalsContact OG-OE2 3.12Å; E482-L507 PolarHBondContact N-O 2.98Å; E482-I508 CarbonylContact O-C 3.56Å; E482-I508 VanDerWaalsContact O-CA 3.3Å; E482-I508 WeakPolarHBondContact O-CA 3.44Å; E482-I509 PolarHBondContact O-N 3.05Å
483I98.9Very high89.3Confident1 Ų143.7 Ų43.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-118120.9176.5-61.8167.1000106.9H429 W432 V433 I487 L494 I509H429-I483 HydrophobicContact CB-CD1 4Å; H429-I483 HydrophobicContact CB-CG1 4.1Å; H429-I483 PolarHBondContact CD2-N 3.35Å; H429-I483 VanDerWaalsContact CD2-N 3.33Å; H429-I483 PolarHBondContact NE2-O 3.13Å; W432-I483 HydrophobicContact CB-CD1 4.21Å; W432-I483 HydrophobicContact CE3-CD1 4.01Å; V433-I483 HydrophobicContact CG2-CD1 4.08Å; I483-I487 HydrophobicContact CG2-CB 4.05Å; I483-I487 HydrophobicContact CG2-CG2 4.11Å; I483-L494 HydrophobicContact CD1-CD1 3.74Å; I483-L494 HydrophobicContact CD1-CD2 4.11Å; I483-L494 HydrophobicContact CG2-CD2 4.1Å; I483-I509 WeakPolarHBondContact CA-O 3.48Å; I483-I509 HydrophobicContact CG1-CB 4.37Å; I483-I509 HydrophobicContact CG1-CD1 4.46Å
484S98.9Very high91.5Very high3 Ų338.9 Ų38.92%0.02124%0.243CC..  trans-59.6138.8174.6169.20000109.8K133 E141 L486 I487 S488 I509K133-S484 PolarHBondContact NZ-OG 3.26Å; E141-S484 PolarHBondContact OE2-OG 3.37Å; S484-L486 PolarHBondContact O-N 3.02Å; S484-L486 PolarHBondContact OG-N 3.29Å; S484-L486 VanDerWaalsContact OG-N 3.14Å; S484-I487 WeakPolarHBondContact O-CB 3.4Å; S484-I487 PolarHBondContact O-N 3.46Å; S484-S488 PolarHBondContact O-N 2.89Å; S484-I509 PolarHBondContact N-O 2.91Å
485P98.8Very high93.7Very high11 Ų1138.8 Ų38.87%0.07122%0.223CC..THydrogen-bonded Turntrans-52.4-27.8171-27.533.7000114.1I138 E141 R142 K145 I487 S488I138-P485 HydrophobicContact CG2-CG 4.25Å; E141-P485 HydrophobicContact CB-CB 3.85Å; E141-P485 HydrophobicContact CB-CG 3.98Å; E141-P485 WeakPolarHBondContact OE2-CD 3.48Å; R142-P485 HydrophobicContact CB-CB 4.47Å; R142-P485 HydrophobicContact CG-CB 3.72Å; R142-P485 HydrophobicContact CG-CG 3.93Å; K145-P485 VanDerWaalsContact CB-O 3.27Å; K145-P485 WeakPolarHBondContact CB-O 3.08Å; K145-P485 VanDerWaalsContact CD-O 3.27Å; K145-P485 WeakPolarHBondContact CD-O 3.47Å; K145-P485 WeakPolarHBondContact CG-O 3.31Å; P485-I487 PolarHBondContact O-N 2.85Å; P485-S488 WeakPolarHBondContact CA-O 3.49Å; P485-S488 CarbonylContact O-C 3.6Å; P485-S488 PolarHBondContact O-N 2.94Å
486L98.7Very high95.4Very high33 Ų3337.2 Ų37.217%0.17322%0.222CC..THydrogen-bonded Turntrans-64-28.8176.7-60.4-178.5000112.3E141 L144 K145 S484E141-L486 HydrophobicContact CB-CD2 4.11Å; E141-L486 HydrophobicContact CB-CG 4.14Å; E141-L486 HydrophobicContact CG-CD1 4.37Å; E141-L486 HydrophobicContact CG-CD2 4.32Å; E141-L486 HydrophobicContact CG-CG 4.12Å; L144-L486 HydrophobicContact CB-CD2 3.81Å; L144-L486 HydrophobicContact CD1-CD2 4.38Å; K145-L486 WeakPolarHBondContact CD-O 3.5Å; K145-L486 PolarHBondContact NZ-O 3.05Å; S484-L486 PolarHBondContact O-N 3.02Å; S484-L486 PolarHBondContact OG-N 3.29Å; S484-L486 VanDerWaalsContact OG-N 3.14Å
487I98.8Very high96.6Very high19 Ų1936.5 Ų36.510%0.09721%0.213CC..THydrogen-bonded Turntrans-82.2-51.4175-60.7-59.1000110.9K145 I483 S484 P485 L494 Y497 I509 D510K145-I487 PolarHBondContact NZ-O 3.5Å; I483-I487 HydrophobicContact CG2-CB 4.05Å; I483-I487 HydrophobicContact CG2-CG2 4.11Å; S484-I487 WeakPolarHBondContact O-CB 3.4Å; S484-I487 PolarHBondContact O-N 3.46Å; P485-I487 PolarHBondContact O-N 2.85Å; I487-L494 HydrophobicContact CG2-CD2 3.89Å; I487-Y497 HydrophobicContact CG2-CE2 4.27Å; I487-I509 HydrophobicContact CG1-CG2 4.3Å; I487-I509 HydrophobicContact CG2-CG2 3.96Å; I487-D510 WeakPolarHBondContact CD1-O 3.19Å
488S98.8Very high97.6Very high1 Ų131.7 Ų31.71%0.00718%0.184CC..  trans-144.7128-177.2-169.60000111.7S484 P485 G491 E492S484-S488 PolarHBondContact O-N 2.89Å; P485-S488 WeakPolarHBondContact CA-O 3.49Å; P485-S488 CarbonylContact O-C 3.6Å; P485-S488 PolarHBondContact O-N 2.94Å; S488-G491 WeakPolarHBondContact OG-CA 3.34Å; S488-G491 PolarHBondContact OG-N 3.15Å; S488-E492 WeakPolarHBondContact CB-O 3.49Å; S488-E492 PolarHBondContact OG-N 2.99Å; S488-E492 PolarHBondContact OG-O 2.94Å
489Y98.8Very high98.1Very high15 Ų1530.8 Ų30.86%0.05918%0.181CC..SBendtrans-79.4-43.6-179.8-178-99.4000112R142 K145 L146 K258 V259 D261 W432 E492R142-Y489 HydrophobicContact CB-CD2 4.28Å; R142-Y489 HydrophobicContact CB-CE2 3.94Å; R142-Y489 HydrophobicContact CG-CD2 4.26Å; R142-Y489 HydrophobicContact CG-CE2 4.15Å; K145-Y489 HydrophobicContact CG-CD2 4.35Å; L146-Y489 HydrophobicContact CD1-CD2 4.32Å; L146-Y489 HydrophobicContact CD1-CE2 3.55Å; L146-Y489 HydrophobicContact CD2-CD1 4.36Å; L146-Y489 HydrophobicContact CD2-CD2 4.11Å; L146-Y489 HydrophobicContact CD2-CE1 4.34Å; L146-Y489 HydrophobicContact CD2-CE2 4.06Å; L146-Y489 HydrophobicContact CD2-CG 4.25Å; L146-Y489 HydrophobicContact CG-CD2 3.87Å; L146-Y489 HydrophobicContact CG-CE2 3.62Å; K258-Y489 WeakPolarHBondContact CA-OH 3.11Å; K258-Y489 HydrophobicContact CB-CE1 4.2Å; K258-Y489 WeakPolarHBondContact CB-OH 3.16Å; K258-Y489 HydrophobicContact CD-CE1 4.28Å; K258-Y489 HydrophobicContact CG-CE1 4.26Å; K258-Y489 PolarHBondContact O-OH 3.16Å; V259-Y489 PolarHBondContact N-OH 2.88Å; V259-Y489 PolarHBondContact O-OH 3.34Å; D261-Y489 WeakPolarHBondContact CA-OH 3.45Å; D261-Y489 PolarHBondContact N-OH 2.86Å; W432-Y489 WeakPolarHBondContact CH2-O 3.33Å; Y489-E492 WeakPolarHBondContact CB-OE1 3.49Å; Y489-E492 PolarHBondContact N-OE1 3.24Å; Y489-E492 PolarHBondContact N-OE2 2.91Å
490A98.3Very high98.3Very high27 Ų2737.3 Ų37.322%0.22322%0.216CC..SBendtrans-143.524.1-173.400000113.2W432 E492W432-A490 VanDerWaalsContact CZ2-C 3.42Å; A490-E492 WeakPolarHBondContact CA-OE2 3.3Å; A490-E492 PolarHBondContact N-OE2 2.72Å
491G98.1Very high98.3Very high20 Ų2038.8 Ų38.821%0.20622%0.221CC..SBendtrans101.9-2.417800000114.8S488S488-G491 WeakPolarHBondContact OG-CA 3.34Å; S488-G491 PolarHBondContact OG-N 3.15Å
492E98.1Very high98.3Very high79 Ų7942.7 Ų42.737%0.36924%0.239SC..THydrogen-bonded Turntrans-75.5152.8176.280-65.2163.400113.2S488 Y489 A490S488-E492 WeakPolarHBondContact CB-O 3.49Å; S488-E492 PolarHBondContact OG-N 2.99Å; S488-E492 PolarHBondContact OG-O 2.94Å; Y489-E492 WeakPolarHBondContact CB-OE1 3.49Å; Y489-E492 PolarHBondContact N-OE1 3.24Å; Y489-E492 PolarHBondContact N-OE2 2.91Å; A490-E492 WeakPolarHBondContact CA-OE2 3.3Å; A490-E492 PolarHBondContact N-OE2 2.72Å
493G97.5Very high98.2Very high41 Ų4143 Ų4342%0.42324%0.241SC..THydrogen-bonded Turntrans7621.7167.900000115.1
494L98.6Very high98.1Very high0 Ų046.5 Ų46.50%026%0.257CS..  trans-95.1-16.5-177.2-66174.8000113.2W432 A436 I483 I487 S496 Y497 V498W432-L494 HydrophobicContact CB-CD1 3.67Å; A436-L494 HydrophobicContact CB-CB 3.71Å; I483-L494 HydrophobicContact CD1-CD1 3.74Å; I483-L494 HydrophobicContact CD1-CD2 4.11Å; I483-L494 HydrophobicContact CG2-CD2 4.1Å; I487-L494 HydrophobicContact CG2-CD2 3.89Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.32Å; L494-Y497 WeakPolarHBondContact O-CA 3.43Å; L494-Y497 WeakPolarHBondContact O-CB 3.33Å; L494-Y497 PolarHBondContact O-N 3.12Å; L494-V498 HydrophobicContact CB-CG2 4.33Å; L494-V498 WeakPolarHBondContact O-CG2 3.4Å; L494-V498 PolarHBondContact O-N 3.01Å
495E98.4Very high97.9Very high111 Ų11148.3 Ų48.352%0.51927%0.272SS..Hα-helixtrans-56.2-43.2-171.3-62.784.6168.700111.8Y497 V498 A499E495-Y497 PolarHBondContact O-N 2.92Å; E495-V498 PolarHBondContact O-N 2.82Å; E495-A499 HydrophobicContact CB-CB 4.46Å; E495-A499 WeakPolarHBondContact O-CB 3.36Å; E495-A499 PolarHBondContact O-N 3.05Å
496S97.1Very high97.8Very high95 Ų9549.2 Ų49.266%0.66428%0.278SS*.Hα-helixtrans-64.9-25.3177.355.60000113.8L494 K501L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.32Å; S496-K501 PolarHBondContact O-NZ 2.75Å
497Y97.9Very high97.7Very high78 Ų7847.7 Ų47.731%0.30627%0.27SS..Hα-helixtrans-84-42.3179.9-65.4-90.8000111.2I487 L494 E495 K501 I509 V514I487-Y497 HydrophobicContact CG2-CE2 4.27Å; L494-Y497 WeakPolarHBondContact O-CA 3.43Å; L494-Y497 WeakPolarHBondContact O-CB 3.33Å; L494-Y497 PolarHBondContact O-N 3.12Å; E495-Y497 PolarHBondContact O-N 2.92Å; Y497-K501 VanDerWaalsContact O-CD 3.3Å; Y497-K501 WeakPolarHBondContact O-CD 3.42Å; Y497-K501 PolarHBondContact O-NZ 3.49Å; Y497-I509 HydrophobicContact CD1-CG2 3.96Å; Y497-I509 HydrophobicContact CE1-CG2 4.39Å; Y497-I509 HydrophobicContact CG-CG2 4.36Å; Y497-V514 HydrophobicContact CD1-CG2 4.08Å
498V98.3Very high97.7Very high0 Ų047.7 Ų47.70%027%0.27CS..Hα-helixtrans-123.8-19-163.7-520000116.4V433 A436 G438 L494 E495 D500 K501 F503 I509V433-V498 HydrophobicContact CG1-CB 4.13Å; V433-V498 HydrophobicContact CG1-CG1 4.2Å; V433-V498 HydrophobicContact CG1-CG2 4.27Å; V433-V498 HydrophobicContact CG2-CG1 4.36Å; A436-V498 HydrophobicContact CB-CG2 3.58Å; G438-V498 WeakPolarHBondContact CA-O 3.3Å; L494-V498 HydrophobicContact CB-CG2 4.33Å; L494-V498 WeakPolarHBondContact O-CG2 3.4Å; L494-V498 PolarHBondContact O-N 3.01Å; E495-V498 PolarHBondContact O-N 2.82Å; V498-D500 PolarHBondContact O-N 2.82Å; V498-K501 WeakPolarHBondContact O-CB 3.44Å; V498-K501 PolarHBondContact O-N 3.33Å; V498-F503 HydrophobicContact CB-CE2 3.78Å; V498-F503 HydrophobicContact CB-CZ 4.13Å; V498-F503 HydrophobicContact CG1-CE2 3.89Å; V498-F503 HydrophobicContact CG1-CZ 4Å; V498-I509 HydrophobicContact CG1-CD1 3.63Å
499A98.1Very high97.7Very high32 Ų3247.6 Ų47.626%0.26427%0.269SS..THydrogen-bonded Turntrans-58.9131.7-174.300000111.4E495 K501E495-A499 HydrophobicContact CB-CB 4.46Å; E495-A499 WeakPolarHBondContact O-CB 3.36Å; E495-A499 PolarHBondContact O-N 3.05Å; A499-K501 PolarHBondContact O-N 3.08Å
500D97.8Very high97.7Very high151 Ų15148.3 Ų48.381%0.80727%0.274SS*.THydrogen-bonded Turntrans59.220.9-178.6-55.1-53.2000114.5G437 V498G437-D500 PolarHBondContact O-N 2.9Å; V498-D500 PolarHBondContact O-N 2.82Å
501K98.1Very high97.6Very high93 Ų9352 Ų5240%0.40429%0.287SS..  trans-114.2157.1177-61.7176.4-161.3166.40112H439 S496 Y497 V498 A499 F503H439-K501 PolarHBondContact N-O 2.86Å; S496-K501 PolarHBondContact O-NZ 2.75Å; Y497-K501 VanDerWaalsContact O-CD 3.3Å; Y497-K501 WeakPolarHBondContact O-CD 3.42Å; Y497-K501 PolarHBondContact O-NZ 3.49Å; V498-K501 WeakPolarHBondContact O-CB 3.44Å; V498-K501 PolarHBondContact O-N 3.33Å; A499-K501 PolarHBondContact O-N 3.08Å; K501-F503 HydrophobicContact CB-CE1 4.41Å; K501-F503 HydrophobicContact CB-CE2 3.8Å; K501-F503 HydrophobicContact CB-CZ 3.61Å; K501-F503 HydrophobicContact CD-CZ 4.12Å
502E97.9Very high97.6Very high81 Ų8156.9 Ų56.938%0.37931%0.308SS..EExtended strand (participates in β ladder)trans-120.2140.3-179.8-73.1171.8175.300109.5H439 I441 R447H439-E502 HydrophobicContact CB-CG 3.94Å; H439-E502 CarbonylContact O-C 3.6Å; H439-E502 WeakPolarHBondContact O-CA 3.34Å; I441-E502 HydrophobicContact CD1-CB 3.98Å; I441-E502 HydrophobicContact CG1-CB 4.2Å; I441-E502 HydrophobicContact CG2-CB 3.88Å; I441-E502 HydrophobicContact CG2-CG 3.95Å; R447-E502 IonicContact CZ-OE1 3.71Å; R447-E502 IonicContact NE-OE1 3.71Å; R447-E502 PolarHBondContact NE-OE1 3.48Å; R447-E502 IonicContact NH2-OE1 3.63Å; R447-E502 PolarHBondContact NH2-OE1 3.17Å
503F97.3Very high97.5Very high13 Ų1354.2 Ų54.26%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-132.9142.2-175.6-54.6-81.1000112.4H439 F440 I441 V498 K501 L507 V514 E516H439-F503 PolarHBondContact O-N 3.18Å; F440-F503 CarbonylContact C-O 3.54Å; F440-F503 VanDerWaalsContact CA-O 3.29Å; F440-F503 WeakPolarHBondContact CA-O 3.46Å; F440-F503 HydrophobicContact CD1-CB 4.41Å; F440-F503 HydrophobicContact CE1-CB 4.45Å; I441-F503 WeakPolarHBondContact CG1-O 3.29Å; I441-F503 PolarHBondContact N-O 2.83Å; V498-F503 HydrophobicContact CB-CE2 3.78Å; V498-F503 HydrophobicContact CB-CZ 4.13Å; V498-F503 HydrophobicContact CG1-CE2 3.89Å; V498-F503 HydrophobicContact CG1-CZ 4Å; K501-F503 HydrophobicContact CB-CE1 4.41Å; K501-F503 HydrophobicContact CB-CE2 3.8Å; K501-F503 HydrophobicContact CB-CZ 3.61Å; K501-F503 HydrophobicContact CD-CZ 4.12Å; F503-L507 HydrophobicContact CB-CD1 4.16Å; F503-L507 HydrophobicContact CB-CD2 4Å; F503-L507 HydrophobicContact CD1-CD1 3.78Å; F503-L507 HydrophobicContact CD1-CD2 4.3Å; F503-L507 HydrophobicContact CD2-CD2 4.06Å; F503-L507 HydrophobicContact CE1-CD1 4.47Å; F503-L507 HydrophobicContact CG-CD1 4.05Å; F503-L507 HydrophobicContact CG-CD2 3.84Å; F503-V514 HydrophobicContact CD1-CG1 4.11Å; F503-V514 HydrophobicContact CE1-CG1 3.76Å; F503-E516 WeakPolarHBondContact CA-OE1 3.44Å
504H95.7Very high97.6Very high73 Ų7355 Ų5534%0.33830%0.298SS..EExtended strand (participates in β ladder)trans-83.3132.1163.4-63.5-79.3000110D442 E516D442-H504 PolarHBondContact O-CE1 2.83Å; D442-H504 PolarHBondContact O-ND1 2.86Å; H504-E516 IonicContact CD2-OE1 2.75Å; H504-E516 PolarHBondContact N-OE1 3.19Å
505A94.7Very high97.5Very high42 Ų4258 Ų5835%0.34731%0.312SS..SBendtrans-82.2147.9171.200000110.9F440 I479F440-A505 HydrophobicContact CD1-CB 4.17Å; F440-A505 HydrophobicContact CE1-CB 4.39Å; I479-A505 HydrophobicContact CG2-CB 4.1Å
506P96.1Very high97.3Very high30 Ų3057 Ų5720%0.19531%0.307CS..SBendcis-74.2133.32.6-17.832.8000114.5Q480 L517Q480-P506 HydrophobicContact CB-CB 3.77Å; Q480-P506 HydrophobicContact CB-CG 4.14Å; Q480-P506 VanDerWaalsContact O-CA 3.3Å; Q480-P506 WeakPolarHBondContact O-CA 3.28Å; Q480-P506 VanDerWaalsContact OE1-CG 3.3Å; P506-L517 HydrophobicContact CB-CB 4.15Å; P506-L517 HydrophobicContact CB-CD1 4.21Å; P506-L517 HydrophobicContact CB-CG 4.46Å; P506-L517 WeakPolarHBondContact CD-O 3.36Å; P506-L517 HydrophobicContact CG-CB 4.31Å; P506-L517 PolarHBondContact O-N 3.43Å
507L98Very high96.8Very high0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-105.2129.7178179.465.4000110.6V433 F440 Q480 C481 E482 F503 I509 V514 E516V433-L507 HydrophobicContact CG2-CD2 4.3Å; F440-L507 HydrophobicContact CE1-CB 3.86Å; F440-L507 HydrophobicContact CE1-CD2 3.86Å; F440-L507 HydrophobicContact CZ-CB 4.36Å; F440-L507 HydrophobicContact CZ-CD2 3.75Å; Q480-L507 PolarHBondContact O-N 3.42Å; C481-L507 CarbonylContact C-O 3.56Å; C481-L507 WeakPolarHBondContact CA-O 3.19Å; E482-L507 PolarHBondContact N-O 2.98Å; F503-L507 HydrophobicContact CB-CD1 4.16Å; F503-L507 HydrophobicContact CB-CD2 4Å; F503-L507 HydrophobicContact CD1-CD1 3.78Å; F503-L507 HydrophobicContact CD1-CD2 4.3Å; F503-L507 HydrophobicContact CD2-CD2 4.06Å; F503-L507 HydrophobicContact CE1-CD1 4.47Å; F503-L507 HydrophobicContact CG-CD1 4.05Å; F503-L507 HydrophobicContact CG-CD2 3.84Å; L507-I509 HydrophobicContact CD1-CG1 4.48Å; L507-I509 HydrophobicContact CD2-CD1 4.34Å; L507-I509 HydrophobicContact CD2-CG1 4.45Å; L507-I509 HydrophobicContact CG-CG1 4.27Å; L507-V514 HydrophobicContact CD1-CG1 3.59Å; L507-E516 HydrophobicContact CD1-CG 4.28Å
508I98.6Very high95.9Very high19 Ų1957.2 Ų57.210%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-118.9132.5168.4-57.3178.6000109.1P130 E482 D510 H515 L517P130-I508 HydrophobicContact CB-CD1 3.53Å; P130-I508 HydrophobicContact CB-CG1 3.79Å; E482-I508 CarbonylContact O-C 3.56Å; E482-I508 VanDerWaalsContact O-CA 3.3Å; E482-I508 WeakPolarHBondContact O-CA 3.44Å; I508-D510 HydrophobicContact CG2-CB 4.35Å; I508-H515 HydrophobicContact CB-CB 4.39Å; I508-H515 PolarHBondContact N-O 3.06Å; I508-H515 PolarHBondContact O-N 2.88Å; I508-L517 HydrophobicContact CD1-CD1 3.83Å; I508-L517 HydrophobicContact CD1-CD2 4.39Å; I508-L517 HydrophobicContact CD1-CG 4.23Å; I508-L517 HydrophobicContact CG1-CD1 4.4Å
509I98.6Very high93.9Very high0 Ų066.5 Ų66.50%035%0.35CS..EExtended strand (participates in β ladder)trans-120114.8168.5-49.4-179.5000108.6E482 I483 S484 I487 Y497 V498 L507 G513 V514E482-I509 PolarHBondContact O-N 3.05Å; I483-I509 WeakPolarHBondContact CA-O 3.48Å; I483-I509 HydrophobicContact CG1-CB 4.37Å; I483-I509 HydrophobicContact CG1-CD1 4.46Å; S484-I509 PolarHBondContact N-O 2.91Å; I487-I509 HydrophobicContact CG1-CG2 4.3Å; I487-I509 HydrophobicContact CG2-CG2 3.96Å; Y497-I509 HydrophobicContact CD1-CG2 3.96Å; Y497-I509 HydrophobicContact CE1-CG2 4.39Å; Y497-I509 HydrophobicContact CG-CG2 4.36Å; V498-I509 HydrophobicContact CG1-CD1 3.63Å; L507-I509 HydrophobicContact CD1-CG1 4.48Å; L507-I509 HydrophobicContact CD2-CD1 4.34Å; L507-I509 HydrophobicContact CD2-CG1 4.45Å; L507-I509 HydrophobicContact CG-CG1 4.27Å; I509-G513 WeakPolarHBondContact CA-O 3.44Å; I509-V514 HydrophobicContact CG1-CG1 4.42Å; I509-V514 HydrophobicContact CG1-CG2 4.36Å; I509-V514 HydrophobicContact CG2-CG2 4.3Å
510D98.5Very high91.3Very high29 Ų2972.7 Ų72.716%0.15538%0.379CS..EExtended strand (participates in β ladder)trans-136.6-176.2-178.673.611.5000111.8I487 I508 N512 G513 H515I487-D510 WeakPolarHBondContact CD1-O 3.19Å; I508-D510 HydrophobicContact CG2-CB 4.35Å; D510-N512 PolarHBondContact O-N 2.89Å; D510-N512 WeakPolarHBondContact OD1-CA 3.4Å; D510-N512 VanDerWaalsContact OD1-CB 3.26Å; D510-N512 WeakPolarHBondContact OD1-CB 3.26Å; D510-N512 PolarHBondContact OD1-N 3.3Å; D510-G513 PolarHBondContact N-O 3.28Å; D510-G513 PolarHBondContact O-N 2.88Å; D510-G513 PolarHBondContact OD1-N 2.84Å; D510-H515 IonicContact OD1-CD2 3.88Å; D510-H515 IonicContact OD1-CE1 3.99Å; D510-H515 IonicContact OD1-NE2 3.21Å; D510-H515 PolarHBondContact OD1-NE2 3.11Å; D510-H515 IonicContact OD2-NE2 2.75Å
511E97.2Very high88.3Confident106 Ų10667.9 Ų67.950%0.49537%0.365SS..THydrogen-bonded Turntrans-57.9-17.4178.860.2-91.8-149.800114.5
512N97.3Very high85.3Confident122 Ų12274.3 Ų74.365%0.65240%0.401SS*.THydrogen-bonded Turntrans-93.6-4.2176.9-50.5-63.8000112.7D510D510-N512 PolarHBondContact O-N 2.89Å; D510-N512 WeakPolarHBondContact OD1-CA 3.4Å; D510-N512 VanDerWaalsContact OD1-CB 3.26Å; D510-N512 WeakPolarHBondContact OD1-CB 3.26Å; D510-N512 PolarHBondContact OD1-N 3.3Å
513G96.8Very high84.7Confident22 Ų2274 Ų7423%0.22740%0.402CS..EExtended strand (participates in β ladder)trans120.3-149.5175.300000113.6I509 D510 H515I509-G513 WeakPolarHBondContact CA-O 3.44Å; D510-G513 PolarHBondContact N-O 3.28Å; D510-G513 PolarHBondContact O-N 2.88Å; D510-G513 PolarHBondContact OD1-N 2.84Å; G513-H515 PolarHBondContact O-NE2 3.15Å
514V97.9Very high84.1Confident58 Ų5877.2 Ų77.235%0.35242%0.42SS..EExtended strand (participates in β ladder)trans-105.2128.7-178.2-177.10000108.8Y497 F503 L507 I509Y497-V514 HydrophobicContact CD1-CG2 4.08Å; F503-V514 HydrophobicContact CD1-CG1 4.11Å; F503-V514 HydrophobicContact CE1-CG1 3.76Å; L507-V514 HydrophobicContact CD1-CG1 3.59Å; I509-V514 HydrophobicContact CG1-CG1 4.42Å; I509-V514 HydrophobicContact CG1-CG2 4.36Å; I509-V514 HydrophobicContact CG2-CG2 4.3Å
515H97.3Very high83.4Confident63 Ų6377.4 Ų77.429%0.29243%0.425SS..EExtended strand (participates in β ladder)trans-129.8125.1-176.1-43.2-82.8000110.6I508 D510 G513I508-H515 HydrophobicContact CB-CB 4.39Å; I508-H515 PolarHBondContact N-O 3.06Å; I508-H515 PolarHBondContact O-N 2.88Å; D510-H515 IonicContact OD1-CD2 3.88Å; D510-H515 IonicContact OD1-CE1 3.99Å; D510-H515 IonicContact OD1-NE2 3.21Å; D510-H515 PolarHBondContact OD1-NE2 3.11Å; D510-H515 IonicContact OD2-NE2 2.75Å; G513-H515 PolarHBondContact O-NE2 3.15Å
516E94.5Very high82.8Confident91 Ų9179.5 Ų79.543%0.42543%0.429SS..EExtended strand (participates in β ladder)trans-102.2111.7171.6-61.4179.1121.900108.3F503 H504 L507 V518F503-E516 WeakPolarHBondContact CA-OE1 3.44Å; H504-E516 IonicContact CD2-OE1 2.75Å; H504-E516 PolarHBondContact N-OE1 3.19Å; L507-E516 HydrophobicContact CD1-CG 4.28Å; E516-V518 PolarHBondContact O-N 3.23Å
517L87Confident81.9Confident72 Ų7282.6 Ų82.638%0.37744%0.444SS..  trans-76.2117.7-175.9-63.8-176.4000110.6P130 P506 I508P130-L517 HydrophobicContact CB-CD1 4.22Å; P506-L517 HydrophobicContact CB-CB 4.15Å; P506-L517 HydrophobicContact CB-CD1 4.21Å; P506-L517 HydrophobicContact CB-CG 4.46Å; P506-L517 WeakPolarHBondContact CD-O 3.36Å; P506-L517 HydrophobicContact CG-CB 4.31Å; P506-L517 PolarHBondContact O-N 3.43Å; I508-L517 HydrophobicContact CD1-CD1 3.83Å; I508-L517 HydrophobicContact CD1-CD2 4.39Å; I508-L517 HydrophobicContact CD1-CG 4.23Å; I508-L517 HydrophobicContact CG1-CD1 4.4Å
518V79.1Confident80.8Confident105 Ų10588.1 Ų88.164%0.63647%0.474SS*.  trans-83144.9173.6-123.90000110.8E516 N520 G521E516-V518 PolarHBondContact O-N 3.23Å; V518-N520 PolarHBondContact O-N 3.17Å; V518-G521 PolarHBondContact O-N 3.32Å; V518-G521 VanDerWaalsContact O-N 3.15Å
519K55.3Low79.6Confident194 Ų19493 Ų9384%0.84350%0.5SS*.THydrogen-bonded Turntrans-55.5-10.3179.4-105.5178.3-178.7167.50115.4
520N43.6Very low78.1Confident163 Ų163100.2 Ų100.287%0.87254%0.539SS*.THydrogen-bonded Turntrans-11215.9-178.3-71.8-18.1000115V518V518-N520 PolarHBondContact O-N 3.17Å
521G33.9Very low76.4Confident50 Ų50106.1 Ų106.152%0.51557%0.571SS.*  trans82.9160.1-179.300000112.8V518V518-G521 PolarHBondContact O-N 3.32Å; V518-G521 VanDerWaalsContact O-N 3.15Å
522I37.1Very low74.5Confident227 Ų227106.1 Ų106.1100%1.16458%0.578SS**  trans-37.30-175.5-63.8166.9000113.7

Retrieved 522 of 522 residues in 3052.9 ms (Link to these results)

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