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Aspartyl aminopeptidase

Aminopeptidase with specificity towards an acidic amino acid at the N-terminus. Likely to play an important role in intracellular protein and peptide metabolism.

AlphaFold DB , UniProt , Accession A0A087WS31, Species MOUSE (Mus musculus, Mouse), Gene Dnpep, Length 222 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
1M49.9Very low83.6Confident244 Ų244119.1 Ų119.1100%1.20263%0.626SS**  0117.30-86.1176.2157.400108.5M3M1-M3 PolarHBondContact O-N 3.2Å
2A60.7Low84.8Confident104 Ų104116.3 Ų116.386%0.8661%0.611SS**PPolyproline II helixtrans-65.2125.9176.100000109.4N4A2-N4 PolarHBondContact O-N 3.39Å
3M62.8Low85.9Confident123 Ų123114.3 Ų114.361%0.60660%0.596SS**PPolyproline II helixtrans-58.1126.2169.6-82.5-178.4132.800108.8M1 A7M1-M3 PolarHBondContact O-N 3.2Å; M3-A7 HydrophobicContact CB-CB 4.48Å; M3-A7 HydrophobicContact CE-CB 4.41Å
4N82.8Confident86.8Confident131 Ų131110.1 Ų110.170%0.70159%0.587SS**PPolyproline II helixtrans-56.1143.5169.1-179.1-8.5000109.3A2 R6 A7 R8A2-N4 PolarHBondContact O-N 3.39Å; N4-R6 PolarHBondContact O-N 2.99Å; N4-A7 PolarHBondContact O-N 3.33Å; N4-R8 PolarHBondContact O-N 2.99Å
5G88.5Confident87.5Confident53 Ų53109.7 Ų109.755%0.54659%0.59SS.*Hα-helixtrans-51.8-29.5-172.900000114.8K9G5-K9 PolarHBondContact O-N 3.38Å; G5-K9 VanDerWaalsContact O-N 3.11Å
6R92Very high88.2Confident186 Ų186105.4 Ų105.470%0.70257%0.574SS**Hα-helixtrans-65.4-49.4173.1-176.3176.9175.1166.72.7112.8N4 R8 K9 E10N4-R6 PolarHBondContact O-N 2.99Å; R6-R8 VanDerWaalsContact C-N 3.26Å; R6-R8 PolarHBondContact O-N 3.49Å; R6-K9 WeakPolarHBondContact O-CB 3.38Å; R6-K9 PolarHBondContact O-N 3.04Å; R6-K9 VanDerWaalsContact O-N 3.15Å; R6-E10 WeakPolarHBondContact CG-OE1 3.41Å; R6-E10 IonicContact CZ-OE1 3.46Å; R6-E10 IonicContact NE-OE1 3.81Å; R6-E10 PolarHBondContact NE-OE1 3.17Å; R6-E10 VanDerWaalsContact NE-OE1 3.08Å; R6-E10 IonicContact NH2-OE1 2.64Å; R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 3.27Å
7A94.8Very high88.8Confident35 Ų35108.6 Ų108.629%0.28958%0.576SS.*Hα-helixtrans-62.6-3617900000111.3M3 N4 E10 A11M3-A7 HydrophobicContact CB-CB 4.48Å; M3-A7 HydrophobicContact CE-CB 4.41Å; N4-A7 PolarHBondContact O-N 3.33Å; A7-E10 PolarHBondContact O-N 3.1Å; A7-A11 PolarHBondContact O-N 2.8Å
8R96.5Very high89.4Confident148 Ų148106.8 Ų106.856%0.55856%0.564SS**Hα-helixtrans-63.5-44.1174.1-179.757.5178.5-177.21.7112.1N4 R6 A11 I12N4-R8 PolarHBondContact O-N 2.99Å; R6-R8 VanDerWaalsContact C-N 3.26Å; R6-R8 PolarHBondContact O-N 3.49Å; R8-A11 PolarHBondContact O-N 3.42Å; R8-I12 HydrophobicContact CG-CD1 4.1Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.23Å; R8-I12 VanDerWaalsContact O-N 3.09Å
9K97.3Very high89.9Confident143 Ų143106.7 Ų106.762%0.62256%0.563SS**Hα-helixtrans-61.6-44176.5-177.9178.1178.8179.10111.5G5 R6 A11 I12 Q13G5-K9 PolarHBondContact O-N 3.38Å; G5-K9 VanDerWaalsContact O-N 3.11Å; R6-K9 WeakPolarHBondContact O-CB 3.38Å; R6-K9 PolarHBondContact O-N 3.04Å; R6-K9 VanDerWaalsContact O-N 3.15Å; K9-A11 PolarHBondContact O-N 2.96Å; K9-I12 PolarHBondContact O-N 3.4Å; K9-Q13 HydrophobicContact CG-CG 4.49Å; K9-Q13 VanDerWaalsContact O-CG 3.31Å; K9-Q13 WeakPolarHBondContact O-CG 3.26Å; K9-Q13 PolarHBondContact O-N 3.47Å
10E97.5Very high90.3Very high106 Ų106106.7 Ų106.750%0.49556%0.563SS.*Hα-helixtrans-60.5-44.2177.8-73.2168-173.300111.5R6 A7 I12 Q13 A14R6-E10 WeakPolarHBondContact CG-OE1 3.41Å; R6-E10 IonicContact CZ-OE1 3.46Å; R6-E10 IonicContact NE-OE1 3.81Å; R6-E10 PolarHBondContact NE-OE1 3.17Å; R6-E10 VanDerWaalsContact NE-OE1 3.08Å; R6-E10 IonicContact NH2-OE1 2.64Å; R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 3.27Å; A7-E10 PolarHBondContact O-N 3.1Å; E10-I12 PolarHBondContact O-N 3.43Å; E10-Q13 PolarHBondContact O-N 3.27Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 3.29Å
11A97.4Very high90.7Very high37 Ų37106.3 Ų106.331%0.30656%0.556SS.*Hα-helixtrans-61.2-43.7175.200000112.9A7 R8 K9 Q13 A14 T15A7-A11 PolarHBondContact O-N 2.8Å; R8-A11 PolarHBondContact O-N 3.42Å; K9-A11 PolarHBondContact O-N 2.96Å; A11-Q13 VanDerWaalsContact C-N 3.34Å; A11-Q13 PolarHBondContact O-N 2.85Å; A11-A14 PolarHBondContact O-N 2.55Å; A11-T15 PolarHBondContact O-N 2.83Å; A11-T15 VanDerWaalsContact O-N 3.13Å; A11-T15 PolarHBondContact O-OG1 3.22Å
12I98Very high93.1Very high86 Ų8697.1 Ų97.144%0.44151%0.51SS..Hα-helixtrans-61.5-44.5176.9-68.8165.6000110.8R8 K9 E10 T15 A16R8-I12 HydrophobicContact CG-CD1 4.1Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.23Å; R8-I12 VanDerWaalsContact O-N 3.09Å; K9-I12 PolarHBondContact O-N 3.4Å; E10-I12 PolarHBondContact O-N 3.43Å; I12-T15 PolarHBondContact O-N 2.93Å; I12-A16 PolarHBondContact O-N 2.82Å
13Q98.3Very high94.9Very high90 Ų9096.1 Ų96.142%0.42149%0.493SS..Hα-helixtrans-66.4-37.7179.5-71.6-66.8-37.900112.1K9 E10 A11 A16 R17K9-Q13 HydrophobicContact CG-CG 4.49Å; K9-Q13 VanDerWaalsContact O-CG 3.31Å; K9-Q13 WeakPolarHBondContact O-CG 3.26Å; K9-Q13 PolarHBondContact O-N 3.47Å; E10-Q13 PolarHBondContact O-N 3.27Å; A11-Q13 VanDerWaalsContact C-N 3.34Å; A11-Q13 PolarHBondContact O-N 2.85Å; Q13-A16 PolarHBondContact O-N 3.07Å; Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.27Å; Q13-R17 WeakPolarHBondContact O-CG 3.44Å; Q13-R17 PolarHBondContact O-N 2.85Å
14A98.4Very high96.6Very high56 Ų5696 Ų9646%0.46350%0.495SS..Hα-helixtrans-61.3-48175.600000111.4E10 A11 A16 R17 E18E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 3.29Å; A11-A14 PolarHBondContact O-N 2.55Å; A14-A16 PolarHBondContact O-N 3.24Å; A14-R17 PolarHBondContact O-N 3.35Å; A14-E18 PolarHBondContact O-N 3.11Å
15T98.3Very high97.3Very high103 Ų10396.7 Ų96.763%0.63249%0.487SS*.Hα-helixtrans-60.4-45.1176.8-56.10000111.9A11 I12 R17 E18 L19A11-T15 PolarHBondContact O-N 2.83Å; A11-T15 VanDerWaalsContact O-N 3.13Å; A11-T15 PolarHBondContact O-OG1 3.22Å; I12-T15 PolarHBondContact O-N 2.93Å; T15-R17 PolarHBondContact O-N 2.82Å; T15-E18 PolarHBondContact O-N 2.91Å; T15-L19 PolarHBondContact O-N 3.24Å
16A98.6Very high97.8Very high42 Ų4294.9 Ų94.935%0.34747%0.467SS..Hα-helixtrans-62.1-42.1178.300000112I12 Q13 A14 E18 L19 L20I12-A16 PolarHBondContact O-N 2.82Å; Q13-A16 PolarHBondContact O-N 3.07Å; A14-A16 PolarHBondContact O-N 3.24Å; A16-E18 VanDerWaalsContact C-N 3.34Å; A16-E18 PolarHBondContact O-N 3.03Å; A16-L19 WeakPolarHBondContact O-CB 3.44Å; A16-L19 PolarHBondContact O-N 2.84Å; A16-L20 WeakPolarHBondContact O-CG 3.33Å; A16-L20 PolarHBondContact O-N 2.86Å
17R98.7Very high98.1Very high160 Ų16088.8 Ų88.860%0.60445%0.451SS*.Hα-helixtrans-64.3-37.2177.3-73.2174.8-170.3-92.71.5112.6Q13 A14 T15 L20 K21Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.27Å; Q13-R17 WeakPolarHBondContact O-CG 3.44Å; Q13-R17 PolarHBondContact O-N 2.85Å; A14-R17 PolarHBondContact O-N 3.35Å; T15-R17 PolarHBondContact O-N 2.82Å; R17-L20 PolarHBondContact O-N 3.44Å; R17-K21 WeakPolarHBondContact O-CG 3.47Å; R17-K21 PolarHBondContact O-N 2.89Å; R17-K21 VanDerWaalsContact O-N 3.12Å
18E98.5Very high98.3Very high76 Ų7687.9 Ų87.936%0.35544%0.442SS..Hα-helixtrans-66.4-39173.9-80.3-56.4123.700112.2A14 T15 A16 K21 F22 R39A14-E18 PolarHBondContact O-N 3.11Å; T15-E18 PolarHBondContact O-N 2.91Å; A16-E18 VanDerWaalsContact C-N 3.34Å; A16-E18 PolarHBondContact O-N 3.03Å; E18-K21 PolarHBondContact O-N 2.94Å; E18-K21 WeakPolarHBondContact OE1-CD 3.37Å; E18-K21 WeakPolarHBondContact OE1-CE 3.46Å; E18-K21 IonicContact OE1-NZ 3.55Å; E18-K21 PolarHBondContact OE1-NZ 3.44Å; E18-F22 PolarHBondContact O-N 2.93Å; E18-R39 IonicContact OE2-CZ 3.96Å; E18-R39 IonicContact OE2-NH1 3.41Å; E18-R39 PolarHBondContact OE2-NH1 3.45Å; E18-R39 VanDerWaalsContact OE2-NH1 3.15Å; E18-R39 IonicContact OE2-NH2 3.08Å
19L98.8Very high98.4Very high104 Ų10482.4 Ų82.455%0.54543%0.426SS..Hα-helixtrans-60.7-44.6172.217763.4000111.5T15 A16 K21 F22 V23T15-L19 PolarHBondContact O-N 3.24Å; A16-L19 WeakPolarHBondContact O-CB 3.44Å; A16-L19 PolarHBondContact O-N 2.84Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.34Å; L19-F22 WeakPolarHBondContact O-CB 3.48Å; L19-F22 PolarHBondContact O-N 3.09Å; L19-F22 VanDerWaalsContact O-N 3.14Å; L19-V23 HydrophobicContact CD1-CG2 3.99Å; L19-V23 HydrophobicContact CG-CG2 4.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 3.15Å
20L98.8Very high98.5Very high107 Ų10776.4 Ų76.456%0.5640%0.4SS*.Hα-helixtrans-58.8-42.9177.5-67.5175.8000111.9A16 R17 V23 N24A16-L20 WeakPolarHBondContact O-CG 3.33Å; A16-L20 PolarHBondContact O-N 2.86Å; R17-L20 PolarHBondContact O-N 3.44Å; L20-V23 PolarHBondContact O-N 3.05Å; L20-N24 WeakPolarHBondContact O-CB 3.14Å; L20-N24 PolarHBondContact O-N 2.73Å; L20-N24 PolarHBondContact O-ND2 3.17Å
21K98.8Very high98.6Very high98 Ų9872.4 Ų72.443%0.42638%0.381SS..Hα-helixtrans-62.4-44174.8-68.1175.1-169.41690111.6R17 E18 L19 N24 R25R17-K21 WeakPolarHBondContact O-CG 3.47Å; R17-K21 PolarHBondContact O-N 2.89Å; R17-K21 VanDerWaalsContact O-N 3.12Å; E18-K21 PolarHBondContact O-N 2.94Å; E18-K21 WeakPolarHBondContact OE1-CD 3.37Å; E18-K21 WeakPolarHBondContact OE1-CE 3.46Å; E18-K21 IonicContact OE1-NZ 3.55Å; E18-K21 PolarHBondContact OE1-NZ 3.44Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.34Å; K21-N24 PolarHBondContact O-N 3.24Å; K21-R25 WeakPolarHBondContact O-CB 3.49Å; K21-R25 VanDerWaalsContact O-CG 3.32Å; K21-R25 WeakPolarHBondContact O-CG 3.43Å; K21-R25 PolarHBondContact O-N 3.19Å; K21-R25 VanDerWaalsContact O-N 3.09Å
22F98.9Very high98.6Very high52 Ų5271.6 Ų71.623%0.22837%0.373CS..Hα-helixtrans-60.4-48.4178.5-176.7-90.7000111.2E18 L19 R25 S26 V32 E35E18-F22 PolarHBondContact O-N 2.93Å; L19-F22 WeakPolarHBondContact O-CB 3.48Å; L19-F22 PolarHBondContact O-N 3.09Å; L19-F22 VanDerWaalsContact O-N 3.14Å; F22-R25 PolarHBondContact O-N 3.28Å; F22-S26 WeakPolarHBondContact O-CB 3.44Å; F22-S26 PolarHBondContact O-N 2.75Å; F22-S26 PolarHBondContact O-OG 3.17Å; F22-V32 HydrophobicContact CE1-CG1 4.36Å; F22-V32 HydrophobicContact CZ-CG1 4.02Å; F22-E35 HydrophobicContact CD2-CB 4.43Å; F22-E35 HydrophobicContact CD2-CG 3.45Å; F22-E35 VanDerWaalsContact CD2-CG 3.45Å; F22-E35 HydrophobicContact CE2-CB 4.17Å; F22-E35 HydrophobicContact CE2-CG 3.62Å; F22-E35 HydrophobicContact CG-CG 4.38Å
23V98.8Very high98.7Very high83 Ų8367.8 Ų67.850%0.50335%0.353SS..Hα-helixtrans-61.7-48.7178.4171.60000111.2L19 L20 R25 S26L19-V23 HydrophobicContact CD1-CG2 3.99Å; L19-V23 HydrophobicContact CG-CG2 4.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 3.15Å; L20-V23 PolarHBondContact O-N 3.05Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 2.96Å; V23-S26 PolarHBondContact O-N 3.45Å
24N98.7Very high98.7Very high120 Ų12065.2 Ų65.264%0.64235%0.348SS*.Hα-helixtrans-63.3-31.9-178.2-71.8-11.5000113.1L20 K21 S26L20-N24 WeakPolarHBondContact O-CB 3.14Å; L20-N24 PolarHBondContact O-N 2.73Å; L20-N24 PolarHBondContact O-ND2 3.17Å; K21-N24 PolarHBondContact O-N 3.24Å; N24-S26 VanDerWaalsContact C-N 3.27Å
25R98.6Very high98.7Very high145 Ų14563.5 Ų63.555%0.54733%0.33SS..THydrogen-bonded Turntrans-81.3-5.9175.9-70.8176.9179.5174.9-2.5113.8K21 F22 V23 P27 H31 E35K21-R25 WeakPolarHBondContact O-CB 3.49Å; K21-R25 VanDerWaalsContact O-CG 3.32Å; K21-R25 WeakPolarHBondContact O-CG 3.43Å; K21-R25 PolarHBondContact O-N 3.19Å; K21-R25 VanDerWaalsContact O-N 3.09Å; F22-R25 PolarHBondContact O-N 3.28Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 2.96Å; R25-P27 WeakPolarHBondContact O-CD 3.39Å; R25-H31 WeakPolarHBondContact O-CB 3.44Å; R25-E35 WeakPolarHBondContact CD-OE2 3.41Å; R25-E35 IonicContact NH1-OE1 2.84Å; R25-E35 PolarHBondContact NH1-OE1 3.45Å; R25-E35 IonicContact NH1-OE2 3.21Å
26S98.6Very high98.8Very high16 Ų1660.1 Ų60.111%0.11231%0.31CS..  trans-119.652.7-170-56.80000113.7F22 V23 N24 S28F22-S26 WeakPolarHBondContact O-CB 3.44Å; F22-S26 PolarHBondContact O-N 2.75Å; F22-S26 PolarHBondContact O-OG 3.17Å; V23-S26 PolarHBondContact O-N 3.45Å; N24-S26 VanDerWaalsContact C-N 3.27Å; S26-S28 PolarHBondContact O-N 3.34Å; S26-S28 VanDerWaalsContact O-N 3.1Å
27P98.7Very high98.8Very high58 Ų5862.9 Ų62.938%0.37731%0.312SS..SBendtrans-70-6.8-175.531.6-39.7000114.4R25 H31 A135R25-P27 WeakPolarHBondContact O-CD 3.39Å; P27-H31 HydrophobicContact CG-CB 4.35Å; P27-A135 HydrophobicContact CB-CB 3.58Å; P27-A135 HydrophobicContact CG-CB 3.35Å
28S98.8Very high98.8Very high15 Ų1557.4 Ų57.411%0.10530%0.298CS..SBendtrans-148.1163.8171.779.40000111.2S26 F30 H31 V32S26-S28 PolarHBondContact O-N 3.34Å; S26-S28 VanDerWaalsContact O-N 3.1Å; S28-F30 PolarHBondContact O-N 2.86Å; S28-H31 WeakPolarHBondContact O-CA 3.47Å; S28-H31 WeakPolarHBondContact O-CB 3.29Å; S28-H31 PolarHBondContact O-N 2.57Å; S28-H31 PolarHBondContact OG-ND1 3.44Å; S28-V32 PolarHBondContact O-N 2.87Å
29P98.8Very high98.8Very high34 Ų3457.5 Ų57.522%0.22130%0.295CS..Hα-helixtrans-56.6-30.1-178.8-24.733.1000113.4V32 V33 T93 D94P29-V32 PolarHBondContact O-N 3.02Å; P29-V33 PolarHBondContact O-N 2.92Å; P29-V33 VanDerWaalsContact O-N 3.1Å; P29-T93 WeakPolarHBondContact CA-O 3.41Å; P29-D94 HydrophobicContact CG-CB 3.98Å
30F98.9Very high98.8Very high17 Ų1753.9 Ų53.98%0.07528%0.276CS..Hα-helixtrans-69.9-35.5176.6-48.3-71.3000112.2S28 A34 S68 R137 L152S28-F30 PolarHBondContact O-N 2.86Å; F30-A34 WeakPolarHBondContact O-CB 3.32Å; F30-A34 PolarHBondContact O-N 3.2Å; F30-S68 WeakPolarHBondContact CA-O 3.07Å; F30-S68 WeakPolarHBondContact CD1-O 3.14Å; F30-R137 HydrophobicContact CD1-CG 4.4Å; F30-R137 HydrophobicContact CD2-CB 4.27Å; F30-R137 HydrophobicContact CD2-CG 4.06Å; F30-R137 HydrophobicContact CE1-CG 4.22Å; F30-R137 HydrophobicContact CE2-CG 3.85Å; F30-R137 HydrophobicContact CG-CB 4.39Å; F30-R137 HydrophobicContact CG-CG 4.34Å; F30-R137 HydrophobicContact CZ-CG 3.94Å; F30-L152 HydrophobicContact CB-CD2 3.55Å; F30-L152 HydrophobicContact CG-CD2 4.49Å
31H98.9Very high98.8Very high22 Ų2252.2 Ų52.210%0.10227%0.267CS..Hα-helixtrans-74.7-35.2174.8-66.782.3000111.7R25 P27 S28 V33 A34 E35 G136 V153R25-H31 WeakPolarHBondContact O-CB 3.44Å; P27-H31 HydrophobicContact CG-CB 4.35Å; S28-H31 WeakPolarHBondContact O-CA 3.47Å; S28-H31 WeakPolarHBondContact O-CB 3.29Å; S28-H31 PolarHBondContact O-N 2.57Å; S28-H31 PolarHBondContact OG-ND1 3.44Å; H31-V33 VanDerWaalsContact C-N 3.33Å; H31-V33 PolarHBondContact O-N 3.07Å; H31-A34 PolarHBondContact O-N 3.12Å; H31-E35 WeakPolarHBondContact O-CB 3.48Å; H31-E35 PolarHBondContact O-N 2.84Å; H31-G136 PolarHBondContact CE1-O 2.97Å; H31-V153 PolarHBondContact CE1-O 3.28Å
32V98.9Very high98.8Very high20 Ų2055 Ų5512%0.12128%0.282CS..Hα-helixtrans-55.1-51.4170177.40000109.9F22 S28 P29 A34 E35 C36 T93F22-V32 HydrophobicContact CE1-CG1 4.36Å; F22-V32 HydrophobicContact CZ-CG1 4.02Å; S28-V32 PolarHBondContact O-N 2.87Å; P29-V32 PolarHBondContact O-N 3.02Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.23Å; V32-E35 PolarHBondContact O-N 3.44Å; V32-C36 WeakPolarHBondContact O-CB 3.21Å; V32-C36 PolarHBondContact O-N 3.11Å; V32-C36 PolarHBondContact O-SG 2.96Å; V32-T93 HydrophobicContact CB-CG2 4.48Å; V32-T93 HydrophobicContact CG1-CG2 3.77Å
33V98.9Very high98.8Very high5 Ų555 Ų553%0.0329%0.291CS..Hα-helixtrans-63.5-39.4178.51690000112P29 H31 C36 R37 T65 S68 S69 I71 T93P29-V33 PolarHBondContact O-N 2.92Å; P29-V33 VanDerWaalsContact O-N 3.1Å; H31-V33 VanDerWaalsContact C-N 3.33Å; H31-V33 PolarHBondContact O-N 3.07Å; V33-C36 PolarHBondContact O-N 2.81Å; V33-R37 VanDerWaalsContact O-CB 3.26Å; V33-R37 WeakPolarHBondContact O-CB 3.49Å; V33-R37 PolarHBondContact O-N 3.22Å; V33-T65 HydrophobicContact CG1-CG2 3.53Å; V33-S68 WeakPolarHBondContact CB-O 3.32Å; V33-S69 VanDerWaalsContact CG2-C 3.41Å; V33-I71 HydrophobicContact CG1-CB 4.28Å; V33-I71 HydrophobicContact CG2-CB 4.25Å; V33-I71 HydrophobicContact CG2-CG2 4.26Å; V33-T93 HydrophobicContact CG2-CG2 4.31Å
34A98.9Very high98.8Very high37 Ų3753.5 Ų53.531%0.30629%0.293SS..Hα-helixtrans-64.7-42.4177.200000112.7F30 H31 V32 R37 S38 L152F30-A34 WeakPolarHBondContact O-CB 3.32Å; F30-A34 PolarHBondContact O-N 3.2Å; H31-A34 PolarHBondContact O-N 3.12Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.23Å; A34-R37 PolarHBondContact O-N 3.13Å; A34-S38 WeakPolarHBondContact O-CB 3.3Å; A34-S38 PolarHBondContact O-N 3.08Å; A34-L152 HydrophobicContact CB-CD1 3.65Å
35E98.9Very high98.8Very high19 Ų1949.6 Ų49.69%0.08927%0.27CS..Hα-helixtrans-66.3-42.8175.6179.466.6-173.800110.9F22 R25 H31 V32 S38 R39F22-E35 HydrophobicContact CD2-CB 4.43Å; F22-E35 HydrophobicContact CD2-CG 3.45Å; F22-E35 VanDerWaalsContact CD2-CG 3.45Å; F22-E35 HydrophobicContact CE2-CB 4.17Å; F22-E35 HydrophobicContact CE2-CG 3.62Å; F22-E35 HydrophobicContact CG-CG 4.38Å; R25-E35 WeakPolarHBondContact CD-OE2 3.41Å; R25-E35 IonicContact NH1-OE1 2.84Å; R25-E35 PolarHBondContact NH1-OE1 3.45Å; R25-E35 IonicContact NH1-OE2 3.21Å; H31-E35 WeakPolarHBondContact O-CB 3.48Å; H31-E35 PolarHBondContact O-N 2.84Å; V32-E35 PolarHBondContact O-N 3.44Å; E35-S38 PolarHBondContact O-N 3.06Å; E35-R39 WeakPolarHBondContact O-CG 3.38Å; E35-R39 PolarHBondContact O-N 3.02Å; E35-R39 IonicContact OE1-CZ 3.96Å; E35-R39 VanDerWaalsContact OE1-CZ 3.24Å; E35-R39 IonicContact OE1-NE 2.73Å; E35-R39 PolarHBondContact OE1-NE 3.49Å; E35-R39 IonicContact OE1-NH2 2.67Å; E35-R39 PolarHBondContact OE1-NH2 3.27Å
36C98.9Very high98.8Very high32 Ų3248.7 Ų48.722%0.21627%0.267CS..Hα-helixtrans-59.1-47.8172.7-71.90000111.7V32 V33 S38 R39 L40 I71V32-C36 WeakPolarHBondContact O-CB 3.21Å; V32-C36 PolarHBondContact O-N 3.11Å; V32-C36 PolarHBondContact O-SG 2.96Å; V33-C36 PolarHBondContact O-N 2.81Å; C36-S38 VanDerWaalsContact C-N 3.34Å; C36-S38 PolarHBondContact O-N 3.14Å; C36-R39 PolarHBondContact O-N 3.29Å; C36-L40 WeakPolarHBondContact O-CB 3.36Å; C36-L40 WeakPolarHBondContact O-CD1 3.2Å; C36-L40 VanDerWaalsContact O-CG 3.22Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 2.95Å; C36-I71 HydrophobicContact CB-CD1 3.81Å; C36-I71 HydrophobicContact CB-CG2 4.26Å
37R98.8Very high98.8Very high101 Ų10151.3 Ų51.338%0.38128%0.277SS..Hα-helixtrans-55.9-47.6175.9171.5170.2-172.9-77.9-1.8111.3V33 A34 R39 L40 L41 E47 F63V33-R37 VanDerWaalsContact O-CB 3.26Å; V33-R37 WeakPolarHBondContact O-CB 3.49Å; V33-R37 PolarHBondContact O-N 3.22Å; A34-R37 PolarHBondContact O-N 3.13Å; R37-R39 PolarHBondContact O-N 3.48Å; R37-L40 PolarHBondContact O-N 3.42Å; R37-L41 HydrophobicContact CG-CD1 3.87Å; R37-L41 HydrophobicContact CG-CG 4.46Å; R37-L41 WeakPolarHBondContact O-CB 3.48Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.37Å; R37-L41 PolarHBondContact O-N 2.67Å; R37-E47 IonicContact CZ-OE1 3.54Å; R37-E47 IonicContact CZ-OE2 3.94Å; R37-E47 VanDerWaalsContact NE-CD 3.29Å; R37-E47 IonicContact NE-OE1 3.14Å; R37-E47 PolarHBondContact NE-OE1 3.08Å; R37-E47 IonicContact NE-OE2 2.84Å; R37-E47 PolarHBondContact NE-OE2 2.8Å; R37-E47 IonicContact NH2-OE2 2.8Å; R37-E47 PolarHBondContact NH2-OE2 3.08Å; R37-F63 HydrophobicContact CB-CE2 4.06Å; R37-F63 HydrophobicContact CB-CZ 4.41Å; R37-F63 HydrophobicContact CG-CE2 3.66Å; R37-F63 HydrophobicContact CG-CZ 3.68Å
38S98.8Very high98.8Very high45 Ų4549.1 Ų49.132%0.31526%0.262SS..Hα-helixtrans-58-48.6178-175.70000111.9A34 E35 C36 L41 Q42A34-S38 WeakPolarHBondContact O-CB 3.3Å; A34-S38 PolarHBondContact O-N 3.08Å; E35-S38 PolarHBondContact O-N 3.06Å; C36-S38 VanDerWaalsContact C-N 3.34Å; C36-S38 PolarHBondContact O-N 3.14Å; S38-L41 PolarHBondContact O-N 2.73Å; S38-Q42 VanDerWaalsContact O-CG 3.3Å; S38-Q42 WeakPolarHBondContact O-CG 3.22Å; S38-Q42 PolarHBondContact O-N 3.13Å
39R98.8Very high98.8Very high77 Ų7754.3 Ų54.329%0.29128%0.283SS..Hα-helixtrans-65.7-39.3178.8-69.1178.4-178.5-108.7-0.9112.8E18 E35 C36 R37 Q42 A43E18-R39 IonicContact OE2-CZ 3.96Å; E18-R39 IonicContact OE2-NH1 3.41Å; E18-R39 PolarHBondContact OE2-NH1 3.45Å; E18-R39 VanDerWaalsContact OE2-NH1 3.15Å; E18-R39 IonicContact OE2-NH2 3.08Å; E35-R39 WeakPolarHBondContact O-CG 3.38Å; E35-R39 PolarHBondContact O-N 3.02Å; E35-R39 IonicContact OE1-CZ 3.96Å; E35-R39 VanDerWaalsContact OE1-CZ 3.24Å; E35-R39 IonicContact OE1-NE 2.73Å; E35-R39 PolarHBondContact OE1-NE 3.49Å; E35-R39 IonicContact OE1-NH2 2.67Å; E35-R39 PolarHBondContact OE1-NH2 3.27Å; C36-R39 PolarHBondContact O-N 3.29Å; R37-R39 PolarHBondContact O-N 3.48Å; R39-Q42 PolarHBondContact O-N 3.06Å; R39-A43 WeakPolarHBondContact O-CB 3.49Å; R39-A43 PolarHBondContact O-N 2.81Å
40L98.9Very high98.7Very high29 Ų2956.6 Ų56.615%0.15229%0.291CS..Hα-helixtrans-65.9-43.2177.3-73.4164000111.6C36 R37 A43 G44 F45 F63 I71 A73C36-L40 WeakPolarHBondContact O-CB 3.36Å; C36-L40 WeakPolarHBondContact O-CD1 3.2Å; C36-L40 VanDerWaalsContact O-CG 3.22Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 2.95Å; R37-L40 PolarHBondContact O-N 3.42Å; L40-A43 CarbonylContact O-C 3.51Å; L40-A43 PolarHBondContact O-N 3.46Å; L40-A43 VanDerWaalsContact O-N 3.14Å; L40-G44 PolarHBondContact O-N 2.86Å; L40-F45 HydrophobicContact CB-CB 4.08Å; L40-F45 HydrophobicContact CB-CD2 4.44Å; L40-F45 HydrophobicContact CB-CG 4.22Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.86Å; L40-F45 HydrophobicContact CD2-CE1 3.93Å; L40-F45 HydrophobicContact CD2-CE2 3.94Å; L40-F45 HydrophobicContact CD2-CG 3.82Å; L40-F45 HydrophobicContact CD2-CZ 3.99Å; L40-F45 WeakPolarHBondContact O-CB 3.37Å; L40-F45 WeakPolarHBondContact O-CD2 3.45Å; L40-F45 PolarHBondContact O-N 2.89Å; L40-F63 HydrophobicContact CB-CD1 4.05Å; L40-F63 HydrophobicContact CB-CE1 4.31Å; L40-F63 HydrophobicContact CB-CG 4.44Å; L40-F63 HydrophobicContact CD1-CB 3.95Å; L40-F63 HydrophobicContact CD1-CD1 4.41Å; L40-F63 HydrophobicContact CD1-CD2 4.35Å; L40-F63 HydrophobicContact CD1-CG 3.98Å; L40-I71 HydrophobicContact CD1-CD1 3.53Å; L40-I71 HydrophobicContact CD1-CG1 4.34Å; L40-A73 HydrophobicContact CD1-CB 3.73Å; L40-A73 HydrophobicContact CD2-CB 3.7Å; L40-A73 HydrophobicContact CG-CB 4.39Å
41L98.8Very high98.7Very high72 Ų7262.3 Ų62.338%0.37733%0.327SS..Hα-helixtrans-60.7-44.7174-71.9168.3000111.3R37 S38 A43 G44 F63R37-L41 HydrophobicContact CG-CD1 3.87Å; R37-L41 HydrophobicContact CG-CG 4.46Å; R37-L41 WeakPolarHBondContact O-CB 3.48Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.37Å; R37-L41 PolarHBondContact O-N 2.67Å; S38-L41 PolarHBondContact O-N 2.73Å; L41-A43 PolarHBondContact O-N 3.25Å; L41-G44 PolarHBondContact O-N 2.79Å; L41-F63 HydrophobicContact CD1-CZ 4.47Å; L41-F63 HydrophobicContact CD2-CE1 3.8Å; L41-F63 HydrophobicContact CD2-CZ 4Å; L41-F63 HydrophobicContact CG-CE1 3.98Å; L41-F63 HydrophobicContact CG-CZ 3.97Å
42Q98.6Very high98.6Very high156 Ų15666.1 Ų66.173%0.72935%0.345SS*.Hα-helixtrans-61.1-32.7174.6-71.9170.79.500112.6S38 R39 G44S38-Q42 VanDerWaalsContact O-CG 3.3Å; S38-Q42 WeakPolarHBondContact O-CG 3.22Å; S38-Q42 PolarHBondContact O-N 3.13Å; R39-Q42 PolarHBondContact O-N 3.06Å; Q42-G44 PolarHBondContact O-N 3.1Å
43A98.6Very high98.6Very high51 Ų5169.1 Ų69.142%0.42138%0.38SS..THydrogen-bonded Turntrans-815.7174.800000113.6R39 L40 L41 F45 K61R39-A43 WeakPolarHBondContact O-CB 3.49Å; R39-A43 PolarHBondContact O-N 2.81Å; L40-A43 CarbonylContact O-C 3.51Å; L40-A43 PolarHBondContact O-N 3.46Å; L40-A43 VanDerWaalsContact O-N 3.14Å; L41-A43 PolarHBondContact O-N 3.25Å; A43-F45 HydrophobicContact CB-CD2 3.96Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; A43-K61 PolarHBondContact O-NZ 2.95Å
44G98.6Very high98.5Very high52 Ų5274.2 Ų74.254%0.53640%0.398SS..THydrogen-bonded Turntrans76.126.9177.400000114.4L40 L41 Q42L40-G44 PolarHBondContact O-N 2.86Å; L41-G44 PolarHBondContact O-N 2.79Å; Q42-G44 PolarHBondContact O-N 3.1Å
45F98.8Very high98.4Very high38 Ų3878 Ų7817%0.16741%0.414CS..PPolyproline II helixtrans-80.9142.9168-72.3-117.9000110.3L40 A43 K61 Y62 F63 A73L40-F45 HydrophobicContact CB-CB 4.08Å; L40-F45 HydrophobicContact CB-CD2 4.44Å; L40-F45 HydrophobicContact CB-CG 4.22Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.86Å; L40-F45 HydrophobicContact CD2-CE1 3.93Å; L40-F45 HydrophobicContact CD2-CE2 3.94Å; L40-F45 HydrophobicContact CD2-CG 3.82Å; L40-F45 HydrophobicContact CD2-CZ 3.99Å; L40-F45 WeakPolarHBondContact O-CB 3.37Å; L40-F45 WeakPolarHBondContact O-CD2 3.45Å; L40-F45 PolarHBondContact O-N 2.89Å; A43-F45 HydrophobicContact CB-CD2 3.96Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; F45-K61 WeakPolarHBondContact CA-O 3.16Å; F45-K61 HydrophobicContact CB-CB 4.25Å; F45-K61 HydrophobicContact CD1-CB 3.6Å; F45-K61 HydrophobicContact CD2-CB 3.95Å; F45-K61 HydrophobicContact CD2-CD 4.05Å; F45-K61 HydrophobicContact CE1-CB 3.79Å; F45-K61 HydrophobicContact CE1-CG 4.3Å; F45-K61 HydrophobicContact CE2-CB 4.15Å; F45-K61 HydrophobicContact CE2-CD 3.71Å; F45-K61 HydrophobicContact CE2-CG 4.3Å; F45-K61 HydrophobicContact CG-CB 3.66Å; F45-K61 HydrophobicContact CZ-CB 4.06Å; F45-K61 HydrophobicContact CZ-CD 3.98Å; F45-K61 HydrophobicContact CZ-CG 4.16Å; F45-Y62 WeakPolarHBondContact CD1-O 3.23Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.36Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.26Å
46R98.6Very high98.4Very high127 Ų12780 Ų8048%0.47942%0.424SS..EExtended strand (participates in β ladder)trans-92.4131174.6-174.4174.977.7-175.62.1110.9D55 K61 Y62 F63R46-D55 PolarHBondContact NH2-O 3.35Å; R46-K61 PolarHBondContact N-O 3.45Å; R46-Y62 HydrophobicContact CB-CD1 4.07Å; R46-Y62 HydrophobicContact CB-CE1 4.46Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.25Å; R46-Y62 CarbonylContact O-C 3.59Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.11Å; R46-F63 PolarHBondContact O-N 3.33Å
47E98.6Very high98.4Very high70 Ų7081.3 Ų81.333%0.32743%0.431SS..EExtended strand (participates in β ladder)trans-73.1132.5172.2-168.9165.1-153.400110.5R37 F63R37-E47 IonicContact CZ-OE1 3.54Å; R37-E47 IonicContact CZ-OE2 3.94Å; R37-E47 VanDerWaalsContact NE-CD 3.29Å; R37-E47 IonicContact NE-OE1 3.14Å; R37-E47 PolarHBondContact NE-OE1 3.08Å; R37-E47 IonicContact NE-OE2 2.84Å; R37-E47 PolarHBondContact NE-OE2 2.8Å; R37-E47 IonicContact NH2-OE2 2.8Å; R37-E47 PolarHBondContact NH2-OE2 3.08Å; E47-F63 CarbonylContact C-O 3.56Å; E47-F63 WeakPolarHBondContact CA-O 3.15Å; E47-F63 HydrophobicContact CB-CD1 4.5Å; E47-F63 HydrophobicContact CB-CE1 3.74Å; E47-F63 HydrophobicContact CB-CE2 3.98Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.4Å; E47-F63 HydrophobicContact CG-CE1 4.37Å; E47-F63 HydrophobicContact CG-CE2 3.67Å; E47-F63 HydrophobicContact CG-CZ 3.66Å
48L98.8Very high98.4Very high13 Ų1378.9 Ų78.97%0.06843%0.428CS..  trans-104140.2173-60.8178000109.8W54 I56 Y62 F63 L64 F74L48-W54 HydrophobicContact CB-CZ2 4.23Å; L48-W54 HydrophobicContact CD1-CD2 3.91Å; L48-W54 HydrophobicContact CD1-CE3 4.11Å; L48-W54 HydrophobicContact CD1-CG 4.26Å; L48-W54 HydrophobicContact CD1-CZ2 4.5Å; L48-I56 HydrophobicContact CD1-CD1 3.78Å; L48-Y62 HydrophobicContact CD1-CD1 4.22Å; L48-Y62 HydrophobicContact CD1-CG 4.08Å; L48-Y62 HydrophobicContact CD2-CD1 3.86Å; L48-Y62 HydrophobicContact CG-CD1 4.15Å; L48-Y62 HydrophobicContact CG-CG 4.41Å; L48-F63 PolarHBondContact N-O 3.32Å; L48-L64 HydrophobicContact CB-CB 4.38Å; L48-F74 HydrophobicContact CD1-CE1 4.14Å; L48-F74 HydrophobicContact CD1-CZ 3.74Å
49K98.2Very high98.3Very high124 Ų12484.3 Ų84.354%0.53945%0.449SS..  trans-95.6126.2168.9-70.5169.9-178.8175.40109.5T51 E52 W54K49-T51 PolarHBondContact O-N 3.4Å; K49-E52 HydrophobicContact CB-CB 4.33Å; K49-E52 HydrophobicContact CB-CG 4.08Å; K49-E52 HydrophobicContact CD-CG 4.26Å; K49-E52 WeakPolarHBondContact CD-OE1 3.5Å; K49-E52 IonicContact NZ-OE1 3.34Å; K49-E52 PolarHBondContact NZ-OE1 3.29Å; K49-E52 PolarHBondContact O-N 3.5Å; K49-E52 VanDerWaalsContact O-N 3.12Å; K49-W54 PolarHBondContact O-NE1 2.77Å
50E98Very high98.3Very high82 Ų8284 Ų8438%0.38345%0.453SS..THydrogen-bonded Turntrans-69-15.7-175.6-167.6164.5-153.500115.1W54 L64 R66E50-W54 HydrophobicContact CB-CZ2 4.4Å; E50-W54 HydrophobicContact CG-CZ2 4.45Å; E50-L64 HydrophobicContact CB-CD1 4.38Å; E50-L64 HydrophobicContact CG-CD1 4.33Å; E50-R66 VanDerWaalsContact CD-CZ 3.44Å; E50-R66 VanDerWaalsContact CD-NE 3.29Å; E50-R66 IonicContact OE1-CZ 3.64Å; E50-R66 IonicContact OE1-NE 3.4Å; E50-R66 PolarHBondContact OE1-NE 3.35Å; E50-R66 IonicContact OE1-NH2 2.73Å; E50-R66 PolarHBondContact OE1-NH2 3.29Å; E50-R66 IonicContact OE2-CZ 3.65Å; E50-R66 IonicContact OE2-NE 2.79Å; E50-R66 PolarHBondContact OE2-NE 2.91Å; E50-R66 IonicContact OE2-NH2 2.6Å; E50-R66 PolarHBondContact OE2-NH2 3.35Å
51T98Very high98.3Very high136 Ų13686.5 Ų86.583%0.83446%0.463SS*.THydrogen-bonded Turntrans-88.9-3.4176.155.20000113.6K49K49-T51 PolarHBondContact O-N 3.4Å
52E97.9Very high98.3Very high103 Ų10383.2 Ų83.248%0.48145%0.445SS..SBendtrans-110.8154-177.6-66.3177-175.800110K49 W54K49-E52 HydrophobicContact CB-CB 4.33Å; K49-E52 HydrophobicContact CB-CG 4.08Å; K49-E52 HydrophobicContact CD-CG 4.26Å; K49-E52 WeakPolarHBondContact CD-OE1 3.5Å; K49-E52 IonicContact NZ-OE1 3.34Å; K49-E52 PolarHBondContact NZ-OE1 3.29Å; K49-E52 PolarHBondContact O-N 3.5Å; K49-E52 VanDerWaalsContact O-N 3.12Å; E52-W54 PolarHBondContact O-NE1 3.09Å
53G97.6Very high98.3Very high83 Ų8375.8 Ų75.886%0.85641%0.41SS*.  trans-66.5143.3171.200000111
54W98.2Very high98.3Very high111 Ų11174 Ų7442%0.4239%0.394SS..  trans-111.5135.7-178.1-58.7-14.8000111.5L48 K49 E50 E52 I56 L64L48-W54 HydrophobicContact CB-CZ2 4.23Å; L48-W54 HydrophobicContact CD1-CD2 3.91Å; L48-W54 HydrophobicContact CD1-CE3 4.11Å; L48-W54 HydrophobicContact CD1-CG 4.26Å; L48-W54 HydrophobicContact CD1-CZ2 4.5Å; K49-W54 PolarHBondContact O-NE1 2.77Å; E50-W54 HydrophobicContact CB-CZ2 4.4Å; E50-W54 HydrophobicContact CG-CZ2 4.45Å; E52-W54 PolarHBondContact O-NE1 3.09Å; W54-I56 HydrophobicContact CB-CD1 3.96Å; W54-I56 HydrophobicContact CB-CG1 4.11Å; W54-I56 HydrophobicContact CE3-CD1 4.46Å; W54-L64 HydrophobicContact CH2-CD1 3.75Å; W54-L64 HydrophobicContact CH2-CD2 4.25Å; W54-L64 HydrophobicContact CZ2-CD1 4Å
55D97.1Very high98.4Very high117 Ų11773.2 Ų73.263%0.62638%0.379SS*.  trans-107.9110.1163.1-177.723.9000108.5R46R46-D55 PolarHBondContact NH2-O 3.35Å
56I98.3Very high98.3Very high61 Ų6178.8 Ų78.831%0.31340%0.399SS..  trans-106.6102-172.9-57.6-58.4000108.9L48 W54 Y62 F74 V76L48-I56 HydrophobicContact CD1-CD1 3.78Å; W54-I56 HydrophobicContact CB-CD1 3.96Å; W54-I56 HydrophobicContact CB-CG1 4.11Å; W54-I56 HydrophobicContact CE3-CD1 4.46Å; I56-Y62 HydrophobicContact CD1-CD2 4.16Å; I56-Y62 HydrophobicContact CD1-CE2 4.17Å; I56-Y62 HydrophobicContact CD1-CG 4.32Å; I56-Y62 HydrophobicContact CG2-CD2 4.4Å; I56-Y62 HydrophobicContact CG2-CE2 3.96Å; I56-F74 HydrophobicContact CD1-CE2 4.15Å; I56-F74 HydrophobicContact CD1-CZ 4Å; I56-F74 HydrophobicContact CG2-CE2 4.12Å; I56-V76 HydrophobicContact CG2-CG2 3.62Å
57V98.1Very high98.3Very high59 Ų5976.9 Ų76.936%0.35840%0.398SS..  trans-95.6141.6-176.8-172.10000111.2N60 Y62V57-N60 WeakPolarHBondContact O-CB 3.45Å; V57-Y62 PolarHBondContact N-OH 3.38Å; V57-Y62 VanDerWaalsContact N-OH 3.13Å
58P98.4Very high98.3Very high50 Ų5075.2 Ų75.233%0.32539%0.394SS..THydrogen-bonded Turntrans-51.9156.8166.3-27.436.4000113.5N60 V76P58-N60 PolarHBondContact O-N 2.73Å; P58-N60 PolarHBondContact O-ND2 3.06Å; P58-V76 HydrophobicContact CB-CG1 4.49Å
59E98.3Very high98.3Very high159 Ų15975.6 Ų75.674%0.74340%0.398SS*.THydrogen-bonded Turntrans628.7-177.9-52.9-171.1-176.700115.4V76E59-V76 WeakPolarHBondContact CA-O 3.45Å; E59-V76 PolarHBondContact N-O 3.41Å
60N98.6Very high98.3Very high71 Ų7172.8 Ų72.838%0.3839%0.394SS..  trans-109.6164177.9-73.9-93.3000112.4V57 P58 Y62 V76V57-N60 WeakPolarHBondContact O-CB 3.45Å; P58-N60 PolarHBondContact O-N 2.73Å; P58-N60 PolarHBondContact O-ND2 3.06Å; N60-Y62 HydrophobicContact CB-CE1 4.26Å; N60-Y62 HydrophobicContact CB-CE2 3.64Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.5Å; N60-V76 PolarHBondContact O-N 3.3Å
61K98.8Very high98.4Very high81 Ų8170.8 Ų70.835%0.35239%0.385SS..EExtended strand (participates in β ladder)trans-129.9131.7-171.2-64.9175.8-66.8-176.60110A43 F45 R46 A75A43-K61 PolarHBondContact O-NZ 2.95Å; F45-K61 WeakPolarHBondContact CA-O 3.16Å; F45-K61 HydrophobicContact CB-CB 4.25Å; F45-K61 HydrophobicContact CD1-CB 3.6Å; F45-K61 HydrophobicContact CD2-CB 3.95Å; F45-K61 HydrophobicContact CD2-CD 4.05Å; F45-K61 HydrophobicContact CE1-CB 3.79Å; F45-K61 HydrophobicContact CE1-CG 4.3Å; F45-K61 HydrophobicContact CE2-CB 4.15Å; F45-K61 HydrophobicContact CE2-CD 3.71Å; F45-K61 HydrophobicContact CE2-CG 4.3Å; F45-K61 HydrophobicContact CG-CB 3.66Å; F45-K61 HydrophobicContact CZ-CB 4.06Å; F45-K61 HydrophobicContact CZ-CD 3.98Å; F45-K61 HydrophobicContact CZ-CG 4.16Å; R46-K61 PolarHBondContact N-O 3.45Å; K61-A75 HydrophobicContact CG-CB 3.92Å
62Y98.9Very high98.4Very high3 Ų369.5 Ų69.51%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-138.8153.8-171.9-52.2-77000112F45 R46 L48 I56 V57 N60 A73 F74 V76F45-Y62 WeakPolarHBondContact CD1-O 3.23Å; R46-Y62 HydrophobicContact CB-CD1 4.07Å; R46-Y62 HydrophobicContact CB-CE1 4.46Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.25Å; R46-Y62 CarbonylContact O-C 3.59Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.11Å; L48-Y62 HydrophobicContact CD1-CD1 4.22Å; L48-Y62 HydrophobicContact CD1-CG 4.08Å; L48-Y62 HydrophobicContact CD2-CD1 3.86Å; L48-Y62 HydrophobicContact CG-CD1 4.15Å; L48-Y62 HydrophobicContact CG-CG 4.41Å; I56-Y62 HydrophobicContact CD1-CD2 4.16Å; I56-Y62 HydrophobicContact CD1-CE2 4.17Å; I56-Y62 HydrophobicContact CD1-CG 4.32Å; I56-Y62 HydrophobicContact CG2-CD2 4.4Å; I56-Y62 HydrophobicContact CG2-CE2 3.96Å; V57-Y62 PolarHBondContact N-OH 3.38Å; V57-Y62 VanDerWaalsContact N-OH 3.13Å; N60-Y62 HydrophobicContact CB-CE1 4.26Å; N60-Y62 HydrophobicContact CB-CE2 3.64Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.5Å; Y62-A73 CarbonylContact O-C 3.55Å; Y62-A73 WeakPolarHBondContact O-CA 3.43Å; Y62-F74 VanDerWaalsContact CB-CZ 3.47Å; Y62-F74 AromaticContact CD2-CD2 3.97Å; Y62-F74 HydrophobicContact CD2-CD2 3.97Å; Y62-F74 AromaticContact CD2-CE2 3.39Å; Y62-F74 HydrophobicContact CD2-CE2 3.39Å; Y62-F74 AromaticContact CD2-CZ 3.95Å; Y62-F74 HydrophobicContact CD2-CZ 3.95Å; Y62-F74 HydrophobicContact CE2-CE2 4.34Å; Y62-F74 AromaticContact CG-CE2 3.91Å; Y62-F74 HydrophobicContact CG-CE2 3.91Å; Y62-F74 AromaticContact CG-CZ 3.99Å; Y62-F74 HydrophobicContact CG-CZ 3.99Å; Y62-F74 PolarHBondContact N-O 3.12Å; Y62-F74 PolarHBondContact O-N 3.37Å; Y62-F74 VanDerWaalsContact O-O 3.13Å; Y62-V76 HydrophobicContact CD2-CG2 4.03Å; Y62-V76 HydrophobicContact CE2-CG2 3.81Å
63F98.9Very high98.5Very high0 Ų066.9 Ų66.90%037%0.369CS..EExtended strand (participates in β ladder)trans-145.1157.1165.874.1-81.9000111R37 L40 L41 F45 R46 E47 L48 T65 I71 I72 A73R37-F63 HydrophobicContact CB-CE2 4.06Å; R37-F63 HydrophobicContact CB-CZ 4.41Å; R37-F63 HydrophobicContact CG-CE2 3.66Å; R37-F63 HydrophobicContact CG-CZ 3.68Å; L40-F63 HydrophobicContact CB-CD1 4.05Å; L40-F63 HydrophobicContact CB-CE1 4.31Å; L40-F63 HydrophobicContact CB-CG 4.44Å; L40-F63 HydrophobicContact CD1-CB 3.95Å; L40-F63 HydrophobicContact CD1-CD1 4.41Å; L40-F63 HydrophobicContact CD1-CD2 4.35Å; L40-F63 HydrophobicContact CD1-CG 3.98Å; L41-F63 HydrophobicContact CD1-CZ 4.47Å; L41-F63 HydrophobicContact CD2-CE1 3.8Å; L41-F63 HydrophobicContact CD2-CZ 4Å; L41-F63 HydrophobicContact CG-CE1 3.98Å; L41-F63 HydrophobicContact CG-CZ 3.97Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.36Å; R46-F63 PolarHBondContact O-N 3.33Å; E47-F63 CarbonylContact C-O 3.56Å; E47-F63 WeakPolarHBondContact CA-O 3.15Å; E47-F63 HydrophobicContact CB-CD1 4.5Å; E47-F63 HydrophobicContact CB-CE1 3.74Å; E47-F63 HydrophobicContact CB-CE2 3.98Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.4Å; E47-F63 HydrophobicContact CG-CE1 4.37Å; E47-F63 HydrophobicContact CG-CE2 3.67Å; E47-F63 HydrophobicContact CG-CZ 3.66Å; L48-F63 PolarHBondContact N-O 3.32Å; F63-T65 HydrophobicContact CD2-CG2 4.46Å; F63-I71 HydrophobicContact CD2-CD1 3.93Å; F63-I71 HydrophobicContact CD2-CG1 4.31Å; F63-I72 CarbonylContact C-O 3.59Å; F63-I72 WeakPolarHBondContact CA-O 3.21Å; F63-I72 WeakPolarHBondContact CB-O 3.22Å; F63-A73 HydrophobicContact CB-CB 3.87Å
64L98.9Very high98.5Very high15 Ų1565.9 Ų65.98%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-137160.9169.770.4153.7000110.3L48 E50 W54 I71 I72 F74L48-L64 HydrophobicContact CB-CB 4.38Å; E50-L64 HydrophobicContact CB-CD1 4.38Å; E50-L64 HydrophobicContact CG-CD1 4.33Å; W54-L64 HydrophobicContact CH2-CD1 3.75Å; W54-L64 HydrophobicContact CH2-CD2 4.25Å; W54-L64 HydrophobicContact CZ2-CD1 4Å; L64-I71 WeakPolarHBondContact O-CA 3.44Å; L64-I72 HydrophobicContact CD2-CB 3.93Å; L64-I72 HydrophobicContact CD2-CG2 4.27Å; L64-I72 PolarHBondContact N-O 3.47Å; L64-I72 PolarHBondContact O-N 2.96Å; L64-F74 HydrophobicContact CD2-CE1 4.23Å
65T98.8Very high98.5Very high35 Ų3563.9 Ų63.922%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-125145.5173.7690000110.7V33 F63 S70 I71V33-T65 HydrophobicContact CG1-CG2 3.53Å; F63-T65 HydrophobicContact CD2-CG2 4.46Å; T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.32Å; T65-S70 WeakPolarHBondContact CB-O 3.44Å; T65-I71 HydrophobicContact CG2-CB 4.22Å; T65-I71 HydrophobicContact CG2-CD1 4.09Å; T65-I71 HydrophobicContact CG2-CG1 3.98Å
66R98.6Very high98.6Very high154 Ų15459 Ų5958%0.58132%0.322SS*.EExtended strand (participates in β ladder)trans-120.2135.8170.9-177.870.877.51184.1109E50 S68 S69 S70E50-R66 VanDerWaalsContact CD-CZ 3.44Å; E50-R66 VanDerWaalsContact CD-NE 3.29Å; E50-R66 IonicContact OE1-CZ 3.64Å; E50-R66 IonicContact OE1-NE 3.4Å; E50-R66 PolarHBondContact OE1-NE 3.35Å; E50-R66 IonicContact OE1-NH2 2.73Å; E50-R66 PolarHBondContact OE1-NH2 3.29Å; E50-R66 IonicContact OE2-CZ 3.65Å; E50-R66 IonicContact OE2-NE 2.79Å; E50-R66 PolarHBondContact OE2-NE 2.91Å; E50-R66 IonicContact OE2-NH2 2.6Å; E50-R66 PolarHBondContact OE2-NH2 3.35Å; R66-S68 PolarHBondContact O-N 2.97Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.1Å; R66-S70 PolarHBondContact N-O 3.18Å; R66-S70 PolarHBondContact O-N 2.96Å; R66-S70 VanDerWaalsContact O-N 3.12Å
67N98.4Very high98.6Very high88 Ų8858.2 Ų58.247%0.47133%0.329SS..THydrogen-bonded Turntrans5610.7-175.8-17451.9000113.9S69 R137N67-S69 PolarHBondContact ND2-OG 3.2Å; N67-S69 PolarHBondContact O-N 3.43Å; N67-R137 PolarHBondContact O-NH1 3.23Å; N67-R137 PolarHBondContact OD1-NH1 3.46Å; N67-R137 VanDerWaalsContact OD1-NH1 3.13Å; N67-R137 PolarHBondContact OD1-NH2 2.88Å
68S98.4Very high98.7Very high35 Ų3557 Ų5725%0.24533%0.328CS..THydrogen-bonded Turntrans53.416.7-166.6-53.30000114.7F30 V33 R66 Q150F30-S68 WeakPolarHBondContact CA-O 3.07Å; F30-S68 WeakPolarHBondContact CD1-O 3.14Å; V33-S68 WeakPolarHBondContact CB-O 3.32Å; R66-S68 PolarHBondContact O-N 2.97Å; S68-Q150 PolarHBondContact OG-NE2 2.96Å; S68-Q150 PolarHBondContact OG-OE1 3.46Å
69S98.4Very high98.7Very high21 Ų2162.8 Ų62.815%0.14735%0.351CS..THydrogen-bonded Turntrans-125.1-5.4-179.4680000113.1V33 R66 N67 T93V33-S69 VanDerWaalsContact CG2-C 3.41Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.1Å; N67-S69 PolarHBondContact ND2-OG 3.2Å; N67-S69 PolarHBondContact O-N 3.43Å; S69-T93 PolarHBondContact O-OG1 3.5Å
70S98.8Very high98.7Very high65 Ų6558.6 Ų58.646%0.45533%0.329SS..EExtended strand (participates in β ladder)trans-130.2144.2170.2-56.40000108.6T65 R66T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.32Å; T65-S70 WeakPolarHBondContact CB-O 3.44Å; R66-S70 PolarHBondContact N-O 3.18Å; R66-S70 PolarHBondContact O-N 2.96Å; R66-S70 VanDerWaalsContact O-N 3.12Å
71I98.8Very high98.7Very high40 Ų4059.1 Ų59.121%0.20533%0.334CS..EExtended strand (participates in β ladder)trans-135136.2-179.4-172.2165.8000109.5V33 C36 L40 F63 L64 T65V33-I71 HydrophobicContact CG1-CB 4.28Å; V33-I71 HydrophobicContact CG2-CB 4.25Å; V33-I71 HydrophobicContact CG2-CG2 4.26Å; C36-I71 HydrophobicContact CB-CD1 3.81Å; C36-I71 HydrophobicContact CB-CG2 4.26Å; L40-I71 HydrophobicContact CD1-CD1 3.53Å; L40-I71 HydrophobicContact CD1-CG1 4.34Å; F63-I71 HydrophobicContact CD2-CD1 3.93Å; F63-I71 HydrophobicContact CD2-CG1 4.31Å; L64-I71 WeakPolarHBondContact O-CA 3.44Å; T65-I71 HydrophobicContact CG2-CB 4.22Å; T65-I71 HydrophobicContact CG2-CD1 4.09Å; T65-I71 HydrophobicContact CG2-CG1 3.98Å
72I98.9Very high98.6Very high108 Ų10861 Ų6155%0.55436%0.355SS*.EExtended strand (participates in β ladder)trans-121126.1170.6-64.3174.5000106.4F63 L64 F74F63-I72 CarbonylContact C-O 3.59Å; F63-I72 WeakPolarHBondContact CA-O 3.21Å; F63-I72 WeakPolarHBondContact CB-O 3.22Å; L64-I72 HydrophobicContact CD2-CB 3.93Å; L64-I72 HydrophobicContact CD2-CG2 4.27Å; L64-I72 PolarHBondContact N-O 3.47Å; L64-I72 PolarHBondContact O-N 2.96Å; I72-F74 HydrophobicContact CG2-CD1 4.38Å
73A98.8Very high98.6Very high49 Ų4964.7 Ų64.741%0.40539%0.394SS..EExtended strand (participates in β ladder)trans-122.5138.3174.100000109.2L40 F45 Y62 F63L40-A73 HydrophobicContact CD1-CB 3.73Å; L40-A73 HydrophobicContact CD2-CB 3.7Å; L40-A73 HydrophobicContact CG-CB 4.39Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.26Å; Y62-A73 CarbonylContact O-C 3.55Å; Y62-A73 WeakPolarHBondContact O-CA 3.43Å; F63-A73 HydrophobicContact CB-CB 3.87Å
74F98.9Very high98.6Very high62 Ų6268.2 Ų68.227%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-144.5145-178.960-85.1000111.4L48 I56 Y62 L64 I72 V76L48-F74 HydrophobicContact CD1-CE1 4.14Å; L48-F74 HydrophobicContact CD1-CZ 3.74Å; I56-F74 HydrophobicContact CD1-CE2 4.15Å; I56-F74 HydrophobicContact CD1-CZ 4Å; I56-F74 HydrophobicContact CG2-CE2 4.12Å; Y62-F74 VanDerWaalsContact CB-CZ 3.47Å; Y62-F74 AromaticContact CD2-CD2 3.97Å; Y62-F74 HydrophobicContact CD2-CD2 3.97Å; Y62-F74 AromaticContact CD2-CE2 3.39Å; Y62-F74 HydrophobicContact CD2-CE2 3.39Å; Y62-F74 AromaticContact CD2-CZ 3.95Å; Y62-F74 HydrophobicContact CD2-CZ 3.95Å; Y62-F74 HydrophobicContact CE2-CE2 4.34Å; Y62-F74 AromaticContact CG-CE2 3.91Å; Y62-F74 HydrophobicContact CG-CE2 3.91Å; Y62-F74 AromaticContact CG-CZ 3.99Å; Y62-F74 HydrophobicContact CG-CZ 3.99Å; Y62-F74 PolarHBondContact N-O 3.12Å; Y62-F74 PolarHBondContact O-N 3.37Å; Y62-F74 VanDerWaalsContact O-O 3.13Å; L64-F74 HydrophobicContact CD2-CE1 4.23Å; I72-F74 HydrophobicContact CG2-CD1 4.38Å; F74-V76 HydrophobicContact CD2-CG2 4.04Å; F74-V76 HydrophobicContact CE2-CG2 4.18Å
75A98.8Very high98.6Very high69 Ų6970.7 Ų70.757%0.5744%0.442SS*.EExtended strand (participates in β ladder)trans-117.2123.7173.500000108K61K61-A75 HydrophobicContact CG-CB 3.92Å
76V98.8Very high98.6Very high14 Ų1476.3 Ų76.39%0.08546%0.464CS..  trans-85.4117-175.8-170.40000108.3I56 P58 E59 N60 Y62 F74 Y80I56-V76 HydrophobicContact CG2-CG2 3.62Å; P58-V76 HydrophobicContact CB-CG1 4.49Å; E59-V76 WeakPolarHBondContact CA-O 3.45Å; E59-V76 PolarHBondContact N-O 3.41Å; N60-V76 PolarHBondContact O-N 3.3Å; Y62-V76 HydrophobicContact CD2-CG2 4.03Å; Y62-V76 HydrophobicContact CE2-CG2 3.81Å; F74-V76 HydrophobicContact CD2-CG2 4.04Å; F74-V76 HydrophobicContact CE2-CG2 4.18Å; V76-Y80 HydrophobicContact CG1-CD1 3.72Å; V76-Y80 HydrophobicContact CG1-CG 3.91Å
77G98.5Very high98.6Very high44 Ų4475.5 Ų75.545%0.45448%0.482SS..  trans-61.2145.9177.600000111.5Q79 Y80G77-Q79 PolarHBondContact O-N 3.28Å; G77-Q79 VanDerWaalsContact O-N 3.12Å; G77-Y80 WeakPolarHBondContact O-CB 3.5Å; G77-Y80 PolarHBondContact O-N 3.29Å
78G98.4Very high98.6Very high33 Ų3378.3 Ų78.334%0.3450%0.496SS..THydrogen-bonded Turntrans-61.1-23.5-17700000114.7
79Q98.4Very high98.6Very high173 Ų17384.9 Ų84.981%0.80853%0.527SS*.THydrogen-bonded Turntrans-101.611.7176.7-56.9-57-4800113.1G77 V81 N84G77-Q79 PolarHBondContact O-N 3.28Å; G77-Q79 VanDerWaalsContact O-N 3.12Å; Q79-V81 PolarHBondContact O-N 3.3Å; Q79-N84 PolarHBondContact O-ND2 3.48Å
80Y98.6Very high98.6Very high71 Ų7187.6 Ų87.628%0.27856%0.558SS.*  trans-68.9129.2176.7177.9-94.3000110.2V76 G77 N84V76-Y80 HydrophobicContact CG1-CD1 3.72Å; V76-Y80 HydrophobicContact CG1-CG 3.91Å; G77-Y80 WeakPolarHBondContact O-CB 3.5Å; G77-Y80 PolarHBondContact O-N 3.29Å; Y80-N84 HydrophobicContact CD2-CB 3.84Å; Y80-N84 HydrophobicContact CE2-CB 3.91Å
81V98.1Very high98.6Very high81 Ų8189.5 Ų89.549%0.49158%0.577SS.*  trans-126.9152.4166.3-63.90000109.2Q79 G83 N84Q79-V81 PolarHBondContact O-N 3.3Å; V81-G83 PolarHBondContact O-N 3Å; V81-N84 WeakPolarHBondContact CG2-OD1 3.46Å; V81-N84 PolarHBondContact N-ND2 3.42Å; V81-N84 WeakPolarHBondContact O-CB 3.42Å; V81-N84 PolarHBondContact O-N 3.3Å
82P98.3Very high98.6Very high120 Ų12094.3 Ų94.378%0.77960%0.599SS**THydrogen-bonded Turntrans-51.7127.9174.4-27.435.7000111.6
83G98.1Very high98.6Very high81 Ų8190.8 Ų90.884%0.83558%0.582SS**THydrogen-bonded Turntrans106.9-18-173.300000114.4V81V81-G83 PolarHBondContact O-N 3Å
84N98.6Very high98.6Very high74 Ų7490.6 Ų90.640%0.39658%0.575SS.*  trans-69.2161.7172.3-71.93.3000112.2Q79 Y80 V81Q79-N84 PolarHBondContact O-ND2 3.48Å; Y80-N84 HydrophobicContact CD2-CB 3.84Å; Y80-N84 HydrophobicContact CE2-CB 3.91Å; V81-N84 WeakPolarHBondContact CG2-OD1 3.46Å; V81-N84 PolarHBondContact N-ND2 3.42Å; V81-N84 WeakPolarHBondContact O-CB 3.42Å; V81-N84 PolarHBondContact O-N 3.3Å
85G98.4Very high98.6Very high68 Ų6891.6 Ų91.670%0.70159%0.589SS**  trans-78.6-179.1179.500000115.1
86F98.8Very high98.6Very high153 Ų15391.4 Ų91.467%0.67158%0.582SS**  trans-126.7140.3180-63.2-94.1000110.9L88F86-L88 HydrophobicContact CB-CD1 3.87Å; F86-L88 HydrophobicContact CB-CD2 4.31Å; F86-L88 HydrophobicContact CB-CG 3.88Å
87S98.7Very high98.6Very high136 Ų13692.4 Ų92.495%0.95159%0.589SS**  trans-99.4109.5167.5-57.90000109
88L98.7Very high98.6Very high148 Ų14891.7 Ų91.778%0.77558%0.575SS**  trans-114.7135.5-167-65146.5000111.1F86F86-L88 HydrophobicContact CB-CD1 3.87Å; F86-L88 HydrophobicContact CB-CD2 4.31Å; F86-L88 HydrophobicContact CB-CG 3.88Å
89I98.8Very high98.6Very high173 Ų17394.8 Ų94.889%0.88758%0.576SS**  trans-122.1121166.9-58.8176.9000107.2
90G98.5Very high98.6Very high78 Ų7888.5 Ų88.580%0.80455%0.549SS*.  trans-104137.8177.400000111.7
91A98.7Very high98.6Very high104 Ų10487.6 Ų87.686%0.8655%0.547SS*.  trans-146.9179168.700000108.7
92H98.8Very high98.6Very high141 Ų14193.4 Ų93.465%0.65356%0.56SS**  trans-126.8154.3176.16896.5000110.7D94H92-D94 PolarHBondContact CE1-O 3.47Å; H92-D94 IonicContact CE1-OD1 2.6Å; H92-D94 IonicContact CG-OD1 3.2Å; H92-D94 PolarHBondContact ND1-O 2.98Å; H92-D94 IonicContact ND1-OD1 3.36Å; H92-D94 PolarHBondContact ND1-OD1 2.92Å
93T98.8Very high98.6Very high35 Ų3595.3 Ų95.322%0.21556%0.556CS.*SBendtrans-102.6-2.7-171.454.30000113.4P29 V32 V33 S69P29-T93 WeakPolarHBondContact CA-O 3.41Å; V32-T93 HydrophobicContact CB-CG2 4.48Å; V32-T93 HydrophobicContact CG1-CG2 3.77Å; V33-T93 HydrophobicContact CG2-CG2 4.31Å; S69-T93 PolarHBondContact O-OG1 3.5Å
94D98.7Very high98.6Very high45 Ų4591.5 Ų91.524%0.24152%0.517CS..  trans-105.4163.8-176.170.2-49.4000112.2P29 H92 Y119P29-D94 HydrophobicContact CG-CB 3.98Å; H92-D94 PolarHBondContact CE1-O 3.47Å; H92-D94 IonicContact CE1-OD1 2.6Å; H92-D94 IonicContact CG-OD1 3.2Å; H92-D94 PolarHBondContact ND1-O 2.98Å; H92-D94 IonicContact ND1-OD1 3.36Å; H92-D94 PolarHBondContact ND1-OD1 2.92Å; D94-Y119 HydrophobicContact CB-CE1 3.96Å; D94-Y119 VanDerWaalsContact OD2-CE1 3.25Å; D94-Y119 WeakPolarHBondContact OD2-CE1 3.36Å; D94-Y119 VanDerWaalsContact OD2-CZ 3.29Å; D94-Y119 PolarHBondContact OD2-OH 3.3Å
95S98.8Very high98.6Very high83 Ų8394 Ų9458%0.5852%0.521SS*.  trans-148.9149.8176.4-64.10000108.3C97 Y119S95-C97 PolarHBondContact O-N 3.35Å; S95-Y119 WeakPolarHBondContact O-CD1 3.21Å
96P98.8Very high98.6Very high65 Ų6594.8 Ų94.842%0.42250%0.502SS..  trans-55.3131.3176.8-26.434.8000112Y119 W124P96-Y119 CarbonylContact C-O 3.53Å; P96-Y119 WeakPolarHBondContact CA-O 3.38Å; P96-Y119 WeakPolarHBondContact CB-O 3.44Å; P96-W124 HydrophobicContact CB-CH2 4.48Å
97C98.9Very high98.5Very high35 Ų3591.3 Ų91.324%0.23650%0.497CS..EExtended strand (participates in β ladder)trans-157175.9-174.768.90000113.2S95 Y119 W127S95-C97 PolarHBondContact O-N 3.35Å; C97-Y119 PolarHBondContact N-O 3Å; C97-Y119 PolarHBondContact O-N 2.9Å; C97-W127 VanDerWaalsContact CA-CZ2 3.47Å; C97-W127 HydrophobicContact CB-CH2 3.73Å; C97-W127 HydrophobicContact CB-CZ2 3.9Å
98L98.9Very high98.4Very high28 Ų2890.8 Ų90.815%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-98.8130.1167.7-60.7177.2000109.5V116 E117 T118 W124 W127 I162 L185L98-V116 HydrophobicContact CB-CB 4.19Å; L98-V116 HydrophobicContact CB-CG1 4.39Å; L98-V116 HydrophobicContact CB-CG2 4.42Å; L98-V116 HydrophobicContact CD1-CG2 4.33Å; L98-V116 HydrophobicContact CD2-CG2 4.3Å; L98-E117 WeakPolarHBondContact CA-O 3.36Å; L98-T118 HydrophobicContact CD2-CG2 3.97Å; L98-W124 HydrophobicContact CD2-CE3 4.06Å; L98-W124 HydrophobicContact CD2-CZ3 4.02Å; L98-W124 HydrophobicContact CG-CZ3 4.46Å; L98-W127 HydrophobicContact CB-CE3 4.24Å; L98-W127 HydrophobicContact CB-CZ3 4.1Å; L98-W127 HydrophobicContact CD1-CB 4.3Å; L98-W127 HydrophobicContact CD1-CD2 3.97Å; L98-W127 HydrophobicContact CD1-CE3 3.62Å; L98-W127 HydrophobicContact CD1-CG 4.27Å; L98-W127 HydrophobicContact CD1-CZ3 4.32Å; L98-W127 HydrophobicContact CG-CD2 4.03Å; L98-W127 HydrophobicContact CG-CE3 3.81Å; L98-W127 HydrophobicContact CG-CZ3 4.15Å; L98-I162 HydrophobicContact CD1-CD1 3.31Å; L98-L185 HydrophobicContact CD2-CD1 4.1Å
99R98.8Very high98.4Very high99 Ų9989.9 Ų89.937%0.37448%0.48SS..EExtended strand (participates in β ladder)trans-114.4142.8179-58.5-177.778.8171.26.2110.1K101 V116 E117R99-K101 PolarHBondContact O-N 2.98Å; R99-V116 CarbonylContact O-C 3.49Å; R99-V116 WeakPolarHBondContact O-CA 3.27Å; R99-E117 PolarHBondContact N-O 3.15Å; R99-E117 PolarHBondContact O-N 2.87Å
100V98.7Very high98.3Very high40 Ų4083.8 Ų83.824%0.24246%0.46CS..EExtended strand (participates in β ladder)trans-63.6126.3174.7-179.40000109.7V114 L134V100-V114 HydrophobicContact CB-CG1 4.41Å; V100-V114 HydrophobicContact CG1-CG1 3.8Å; V100-V114 HydrophobicContact CG2-CG1 3.96Å; V100-L134 HydrophobicContact CG2-CD1 4.26Å; V100-L134 HydrophobicContact CG2-CD2 3.51Å
101K98.7Very high98.3Very high52 Ų5284.8 Ų84.823%0.22644%0.44CS..EExtended strand (participates in β ladder)trans-63.9152.2173.7-79.4179.8170.8176.70110.6R99 K103 G115 V116 E117 E182 H214R99-K101 PolarHBondContact O-N 2.98Å; K101-K103 PolarHBondContact O-N 3.07Å; K101-G115 WeakPolarHBondContact CB-O 3.33Å; K101-G115 PolarHBondContact N-O 2.82Å; K101-V116 WeakPolarHBondContact CE-O 3.47Å; K101-E117 HydrophobicContact CG-CB 4.02Å; K101-E182 IonicContact NZ-OE1 3.96Å; K101-E182 PolarHBondContact NZ-OE1 2.72Å; K101-E182 IonicContact NZ-OE2 3.25Å; K101-E182 PolarHBondContact NZ-OE2 3.11Å; K101-H214 PolarHBondContact O-CE1 3.23Å
102R97.6Very high98.3Very high203 Ų20380.6 Ų80.677%0.76640%0.403SS*.EExtended strand (participates in β ladder)trans-58.5-29.5177.9-68.9-67.1-174.1-84.2-7.6114.2H214R102-H214 PolarHBondContact O-CE1 2.6Å; R102-H214 PolarHBondContact O-NE2 3.36Å
103K97.8Very high98.3Very high161 Ų16175.2 Ų75.270%0.738%0.378SS*.EExtended strand (participates in β ladder)trans-122.998.9166.2-60.1-171.1177.7-177.80106.1K101 R213K101-K103 PolarHBondContact O-N 3.07Å; K103-R213 CarbonylContact C-O 3.53Å; K103-R213 WeakPolarHBondContact CA-O 3.4Å; K103-R213 HydrophobicContact CB-CB 4.41Å; K103-R213 HydrophobicContact CD-CG 4.37Å; K103-R213 HydrophobicContact CG-CB 4.07Å; K103-R213 HydrophobicContact CG-CG 3.91Å
104S98.3Very high98.3Very high1 Ų173.6 Ų73.61%0.00737%0.368CS..EExtended strand (participates in β ladder)trans-103.4-9.2-172.175.50000113.3R106 G115 R213 H214S104-R106 PolarHBondContact O-N 2.71Å; S104-R106 VanDerWaalsContact O-N 3.08Å; S104-G115 WeakPolarHBondContact CB-O 3.45Å; S104-G115 PolarHBondContact O-N 3.23Å; S104-R213 PolarHBondContact N-O 3.12Å; S104-H214 PolarHBondContact OG-ND1 3.13Å
105R98.2Very high98.3Very high127 Ų12771.5 Ų71.548%0.47936%0.357SS..EExtended strand (participates in β ladder)trans-57.7115.7-179.1-170.5175.5-174.6-173.9-0.7110.8E212 R213R105-E212 WeakPolarHBondContact CD-O 3.09Å; R105-R213 WeakPolarHBondContact CB-O 3.41Å; R105-R213 PolarHBondContact N-O 3.19Å
106R98Very high98.3Very high83 Ų8368.2 Ų68.231%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-136.7141.5170.8-75.2-167.4168.2176-0.2110S104 Q113 E182 V186 H215S104-R106 PolarHBondContact O-N 2.71Å; S104-R106 VanDerWaalsContact O-N 3.08Å; R106-Q113 HydrophobicContact CB-CB 3.9Å; R106-Q113 PolarHBondContact N-O 3.19Å; R106-Q113 PolarHBondContact O-N 3.24Å; R106-E182 IonicContact CZ-OE1 3.02Å; R106-E182 PolarHBondContact NH1-O 3.29Å; R106-E182 IonicContact NH1-OE1 2.93Å; R106-E182 PolarHBondContact NH1-OE1 2.97Å; R106-E182 IonicContact NH2-OE1 2.61Å; R106-E182 PolarHBondContact NH2-OE1 3.32Å; R106-V186 VanDerWaalsContact NH1-CG2 3.33Å; R106-H215 PolarHBondContact O-NE2 3.05Å
107S97.6Very high98.3Very high81 Ų8170.2 Ų70.257%0.56634%0.337SS*.EExtended strand (participates in β ladder)trans-134.4136.3175.9-62.70000109.8Y111 H215S107-Y111 WeakPolarHBondContact CA-O 3.45Å; S107-H215 PolarHBondContact OG-CE1 2.88Å; S107-H215 PolarHBondContact OG-NE2 2.86Å
108Q97.5Very high98.3Very high125 Ų12571.2 Ų71.258%0.58434%0.342SS*.EExtended strand (participates in β ladder)trans-152.4132.9174.2-166.5171.3800109.7G110 Y111Q108-G110 PolarHBondContact O-N 3.13Å; Q108-G110 VanDerWaalsContact O-N 3.11Å; Q108-Y111 PolarHBondContact N-O 2.8Å; Q108-Y111 WeakPolarHBondContact O-CB 3.39Å; Q108-Y111 PolarHBondContact O-N 2.84Å
109V97.6Very high98.3Very high129 Ų12973.7 Ų73.778%0.78235%0.35SS*.THydrogen-bonded Turntrans45.943.7174.7-61.90000114.5Y111V109-Y111 VanDerWaalsContact C-N 3.32Å; V109-Y111 HydrophobicContact CG2-CD2 4.06Å; V109-Y111 PolarHBondContact O-N 3.48Å
110G97.4Very high98.3Very high45 Ų4571.5 Ų71.546%0.46436%0.358SS..THydrogen-bonded Turntrans82.10178.800000115.5Q108 T191 A192Q108-G110 PolarHBondContact O-N 3.13Å; Q108-G110 VanDerWaalsContact O-N 3.11Å; G110-T191 CarbonylContact O-C 3.42Å; G110-T191 WeakPolarHBondContact O-CA 3.11Å; G110-A192 PolarHBondContact O-N 3.39Å
111Y98.6Very high98.3Very high99 Ų9973 Ų7339%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-92.9141.3172.4-69.8-71.3000112.6S107 Q108 V109 I188 T191S107-Y111 WeakPolarHBondContact CA-O 3.45Å; Q108-Y111 PolarHBondContact N-O 2.8Å; Q108-Y111 WeakPolarHBondContact O-CB 3.39Å; Q108-Y111 PolarHBondContact O-N 2.84Å; V109-Y111 VanDerWaalsContact C-N 3.32Å; V109-Y111 HydrophobicContact CG2-CD2 4.06Å; V109-Y111 PolarHBondContact O-N 3.48Å; Y111-I188 HydrophobicContact CD1-CD1 4.14Å; Y111-I188 HydrophobicContact CD1-CG2 3.4Å; Y111-I188 VanDerWaalsContact CD1-CG2 3.4Å; Y111-I188 HydrophobicContact CD2-CD1 4.33Å; Y111-I188 HydrophobicContact CE1-CD1 4.28Å; Y111-I188 HydrophobicContact CE1-CG2 4.01Å; Y111-I188 HydrophobicContact CE2-CD1 4.48Å; Y111-I188 HydrophobicContact CG-CD1 4.17Å; Y111-I188 HydrophobicContact CG-CG1 4.46Å; Y111-I188 HydrophobicContact CG-CG2 4.05Å; Y111-T191 HydrophobicContact CD1-CG2 3.78Å; Y111-T191 HydrophobicContact CE1-CG2 3.66Å
112H97.9Very high98.2Very high15 Ų1571.3 Ų71.37%0.06938%0.38CS..EExtended strand (participates in β ladder)trans-91.1121.8162.1-64.1-24.7000109L189 A190 A192 E195 H215H112-L189 PolarHBondContact O-N 3.22Å; H112-A190 HydrophobicContact CB-CB 4.35Å; H112-A190 PolarHBondContact N-O 2.96Å; H112-A190 PolarHBondContact O-N 3.14Å; H112-A192 WeakPolarHBondContact NE2-CA 3.42Å; H112-E195 IonicContact CD2-OE2 3.78Å; H112-E195 IonicContact NE2-OE2 2.82Å; H112-E195 PolarHBondContact NE2-OE2 2.61Å; H112-H215 AromaticContact CG-CE1 3.95Å; H112-H215 AromaticContact ND1-CE1 3.52Å; H112-H215 AromaticContact ND1-ND1 3.98Å; H112-H215 AromaticContact ND1-NE2 3.87Å
113Q98.7Very high98.3Very high28 Ų2867.6 Ų67.613%0.13137%0.374CS..EExtended strand (participates in β ladder)trans-119.2157.8-176-70.2179.6-59.800111.1R106 V186 P187 I188 H215R106-Q113 HydrophobicContact CB-CB 3.9Å; R106-Q113 PolarHBondContact N-O 3.19Å; R106-Q113 PolarHBondContact O-N 3.24Å; Q113-V186 HydrophobicContact CB-CG1 3.79Å; Q113-V186 HydrophobicContact CG-CG1 4.38Å; Q113-P187 VanDerWaalsContact CA-O 3.29Å; Q113-P187 WeakPolarHBondContact CA-O 3.48Å; Q113-P187 WeakPolarHBondContact CB-O 3.49Å; Q113-I188 HydrophobicContact CG-CG1 4.24Å; Q113-H215 PolarHBondContact O-CD2 2.89Å
114V98.8Very high98.3Very high1 Ų161.6 Ų61.61%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-116.5108.5178.1-178.80000108.6V100 V116 L160 P187 L189 L218V100-V114 HydrophobicContact CB-CG1 4.41Å; V100-V114 HydrophobicContact CG1-CG1 3.8Å; V100-V114 HydrophobicContact CG2-CG1 3.96Å; V114-V116 PolarHBondContact O-N 2.84Å; V114-L160 HydrophobicContact CB-CD2 4.29Å; V114-L160 HydrophobicContact CG2-CD2 3.93Å; V114-P187 HydrophobicContact CB-CG 4.25Å; V114-P187 PolarHBondContact N-O 3.49Å; V114-P187 WeakPolarHBondContact O-CD 3.46Å; V114-P187 WeakPolarHBondContact O-CG 3.42Å; V114-L189 HydrophobicContact CG2-CB 4.04Å; V114-L189 HydrophobicContact CG2-CD2 4.01Å; V114-L218 HydrophobicContact CG1-CD2 4.18Å; V114-L218 HydrophobicContact CG2-CD2 4.12Å
115G98.8Very high98.4Very high1 Ų163.9 Ų63.91%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-58127.9171.800000111.3K101 S104K101-G115 WeakPolarHBondContact CB-O 3.33Å; K101-G115 PolarHBondContact N-O 2.82Å; S104-G115 WeakPolarHBondContact CB-O 3.45Å; S104-G115 PolarHBondContact O-N 3.23Å
116V98.9Very high98.4Very high15 Ų1561.3 Ų61.39%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-118.8157.9-178.6-66.30000111.9L98 R99 K101 V114 L185 P187L98-V116 HydrophobicContact CB-CB 4.19Å; L98-V116 HydrophobicContact CB-CG1 4.39Å; L98-V116 HydrophobicContact CB-CG2 4.42Å; L98-V116 HydrophobicContact CD1-CG2 4.33Å; L98-V116 HydrophobicContact CD2-CG2 4.3Å; R99-V116 CarbonylContact O-C 3.49Å; R99-V116 WeakPolarHBondContact O-CA 3.27Å; K101-V116 WeakPolarHBondContact CE-O 3.47Å; V114-V116 PolarHBondContact O-N 2.84Å; V116-L185 HydrophobicContact CG2-CB 4.38Å; V116-L185 WeakPolarHBondContact CG2-O 3.43Å; V116-P187 HydrophobicContact CG1-CG 3.88Å
117E98.8Very high98.4Very high106 Ų10660.2 Ų60.250%0.49536%0.357SS..EExtended strand (participates in β ladder)trans-117.4135.7175.3176.4178.9-133.800108.7L98 R99 K101L98-E117 WeakPolarHBondContact CA-O 3.36Å; R99-E117 PolarHBondContact N-O 3.15Å; R99-E117 PolarHBondContact O-N 2.87Å; K101-E117 HydrophobicContact CG-CB 4.02Å
118T98.9Very high98.5Very high56 Ų5657.1 Ų57.134%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-75127.7173.550.90000110.4L98 W124 T181 L185L98-T118 HydrophobicContact CD2-CG2 3.97Å; T118-W124 HydrophobicContact CG2-CD2 4.15Å; T118-W124 HydrophobicContact CG2-CH2 4.19Å; T118-W124 HydrophobicContact CG2-CZ2 3.7Å; T118-T181 HydrophobicContact CG2-CG2 4.19Å; T118-L185 HydrophobicContact CG2-CD1 3.95Å
119Y98.8Very high98.5Very high80 Ų8054.5 Ų54.531%0.31432%0.323SS..EExtended strand (participates in β ladder)trans-112.7123.3173.1177.3-93.5000109.8D94 S95 P96 C97 W124D94-Y119 HydrophobicContact CB-CE1 3.96Å; D94-Y119 VanDerWaalsContact OD2-CE1 3.25Å; D94-Y119 WeakPolarHBondContact OD2-CE1 3.36Å; D94-Y119 VanDerWaalsContact OD2-CZ 3.29Å; D94-Y119 PolarHBondContact OD2-OH 3.3Å; S95-Y119 WeakPolarHBondContact O-CD1 3.21Å; P96-Y119 CarbonylContact C-O 3.53Å; P96-Y119 WeakPolarHBondContact CA-O 3.38Å; P96-Y119 WeakPolarHBondContact CB-O 3.44Å; C97-Y119 PolarHBondContact N-O 3Å; C97-Y119 PolarHBondContact O-N 2.9Å; Y119-W124 WeakPolarHBondContact O-CH2 3.31Å
120G98.4Very high98.6Very high53 Ų5355.3 Ų55.355%0.54631%0.312SS..SBendtrans73.2-169.4-177.600000114.2G122 W124G120-G122 PolarHBondContact O-N 3.33Å; G120-W124 WeakPolarHBondContact O-CZ2 3.42Å
121G98.4Very high98.7Very high73 Ų7358.8 Ų58.875%0.75332%0.32SS*.SBendtrans-98.260.7-178.200000113.2
122G98.4Very high98.7Very high16 Ų1655.5 Ų55.517%0.16531%0.309CS..  trans-71.6150.9-178.400000113.4G120 W124G120-G122 PolarHBondContact O-N 3.33Å; G122-W124 VanDerWaalsContact C-N 3.35Å; G122-W124 PolarHBondContact O-N 3.41Å; G122-W124 VanDerWaalsContact O-N 3.12Å; G122-W124 PolarHBondContact O-NE1 3.18Å
123I98.7Very high98.7Very high124 Ų12457.2 Ų57.264%0.63632%0.321SS*.  trans-82.286.2167.7-53.4175.4000107.5S125 T126I123-S125 PolarHBondContact O-N 3.46Å; I123-S125 VanDerWaalsContact O-N 3.16Å; I123-T126 HydrophobicContact CB-CG2 4.24Å; I123-T126 HydrophobicContact CG2-CG2 3.95Å; I123-T126 PolarHBondContact O-N 3.38Å; I123-T126 PolarHBondContact O-OG1 3.02Å
124W98.8Very high98.7Very high36 Ų3657.3 Ų57.314%0.13632%0.322CS..G310 helixtrans-64.3-22.9-166.4-53.5126.6000114.8P96 L98 T118 Y119 G120 G122 T126 W127 F128 L185P96-W124 HydrophobicContact CB-CH2 4.48Å; L98-W124 HydrophobicContact CD2-CE3 4.06Å; L98-W124 HydrophobicContact CD2-CZ3 4.02Å; L98-W124 HydrophobicContact CG-CZ3 4.46Å; T118-W124 HydrophobicContact CG2-CD2 4.15Å; T118-W124 HydrophobicContact CG2-CH2 4.19Å; T118-W124 HydrophobicContact CG2-CZ2 3.7Å; Y119-W124 WeakPolarHBondContact O-CH2 3.31Å; G120-W124 WeakPolarHBondContact O-CZ2 3.42Å; G122-W124 VanDerWaalsContact C-N 3.35Å; G122-W124 PolarHBondContact O-N 3.41Å; G122-W124 VanDerWaalsContact O-N 3.12Å; G122-W124 PolarHBondContact O-NE1 3.18Å; W124-T126 PolarHBondContact O-N 3.28Å; W124-W127 AromaticContact CE3-CD1 3.95Å; W124-W127 AromaticContact CE3-NE1 3.98Å; W124-W127 WeakPolarHBondContact O-CB 3.5Å; W124-W127 PolarHBondContact O-N 3.01Å; W124-F128 WeakPolarHBondContact O-CD2 3.31Å; W124-L185 HydrophobicContact CB-CD1 3.89Å; W124-L185 HydrophobicContact CB-CD2 4.03Å; W124-L185 HydrophobicContact CD2-CD1 4.3Å; W124-L185 HydrophobicContact CG-CD1 3.91Å
125S98.6Very high98.7Very high49 Ų4958.8 Ų58.834%0.34333%0.334SS..G310 helixtrans-59.4-30.1173.157.60000112.8I123 W127 F128I123-S125 PolarHBondContact O-N 3.46Å; I123-S125 VanDerWaalsContact O-N 3.16Å; S125-W127 PolarHBondContact O-N 3.43Å; S125-F128 PolarHBondContact O-N 3.32Å
126T98.8Very high98.7Very high72 Ų7259.5 Ų59.544%0.44234%0.342SS..G310 helixtrans-73.7-12.6-178.766.30000114.2I123 W124 R130I123-T126 HydrophobicContact CB-CG2 4.24Å; I123-T126 HydrophobicContact CG2-CG2 3.95Å; I123-T126 PolarHBondContact O-N 3.38Å; I123-T126 PolarHBondContact O-OG1 3.02Å; W124-T126 PolarHBondContact O-N 3.28Å; T126-R130 WeakPolarHBondContact O-CG 3.05Å; T126-R130 PolarHBondContact O-NE 2.86Å
127W98.9Very high98.7Very high61 Ų6162.6 Ų62.623%0.23135%0.352CS..G310 helixtrans-85.7-17176.4-72.171.8000113C97 L98 W124 S125 L132 I162C97-W127 VanDerWaalsContact CA-CZ2 3.47Å; C97-W127 HydrophobicContact CB-CH2 3.73Å; C97-W127 HydrophobicContact CB-CZ2 3.9Å; L98-W127 HydrophobicContact CB-CE3 4.24Å; L98-W127 HydrophobicContact CB-CZ3 4.1Å; L98-W127 HydrophobicContact CD1-CB 4.3Å; L98-W127 HydrophobicContact CD1-CD2 3.97Å; L98-W127 HydrophobicContact CD1-CE3 3.62Å; L98-W127 HydrophobicContact CD1-CG 4.27Å; L98-W127 HydrophobicContact CD1-CZ3 4.32Å; L98-W127 HydrophobicContact CG-CD2 4.03Å; L98-W127 HydrophobicContact CG-CE3 3.81Å; L98-W127 HydrophobicContact CG-CZ3 4.15Å; W124-W127 AromaticContact CE3-CD1 3.95Å; W124-W127 AromaticContact CE3-NE1 3.98Å; W124-W127 WeakPolarHBondContact O-CB 3.5Å; W124-W127 PolarHBondContact O-N 3.01Å; S125-W127 PolarHBondContact O-N 3.43Å; W127-L132 HydrophobicContact CE3-CD1 4.17Å; W127-L132 HydrophobicContact CE3-CD2 4.01Å; W127-L132 HydrophobicContact CZ3-CD2 4.18Å; W127-I162 HydrophobicContact CB-CD1 4.4Å
128F98.9Very high98.6Very high15 Ų1559.4 Ų59.47%0.06634%0.339CS..THydrogen-bonded Turntrans-68.5147.4172.4-72.7-102.9000110.3W124 S125 R130 I162 H164 F177 P179 H184 L185W124-F128 WeakPolarHBondContact O-CD2 3.31Å; S125-F128 PolarHBondContact O-N 3.32Å; F128-R130 PolarHBondContact O-N 3.37Å; F128-R130 VanDerWaalsContact O-N 3.11Å; F128-I162 CarbonylContact C-O 3.56Å; F128-I162 VanDerWaalsContact CA-O 3.3Å; F128-I162 WeakPolarHBondContact CA-O 3.2Å; F128-I162 HydrophobicContact CD1-CG2 3.69Å; F128-I162 HydrophobicContact CD2-CG2 4.47Å; F128-I162 HydrophobicContact CE1-CG2 3.69Å; F128-I162 HydrophobicContact CE2-CG2 4.49Å; F128-I162 HydrophobicContact CG-CG2 4.09Å; F128-I162 HydrophobicContact CZ-CG2 4.11Å; F128-H164 WeakPolarHBondContact CB-CD2 3.45Å; F128-H164 VanDerWaalsContact CB-NE2 3.31Å; F128-H164 WeakPolarHBondContact CB-NE2 3.35Å; F128-H164 AromaticContact CD1-CG 3.93Å; F128-H164 AromaticContact CD1-ND1 3.93Å; F128-H164 AromaticContact CG-CD2 3.97Å; F128-H164 AromaticContact CG-CE1 3.96Å; F128-H164 AromaticContact CG-NE2 3.75Å; F128-F177 HydrophobicContact CD1-CZ 4.37Å; F128-F177 HydrophobicContact CD2-CE1 4.1Å; F128-F177 HydrophobicContact CD2-CZ 4.08Å; F128-F177 HydrophobicContact CE1-CZ 4.08Å; F128-F177 AromaticContact CE2-CE1 4Å; F128-F177 HydrophobicContact CE2-CE1 4Å; F128-F177 AromaticContact CE2-CZ 3.74Å; F128-F177 HydrophobicContact CE2-CZ 3.74Å; F128-F177 HydrophobicContact CG-CZ 4.38Å; F128-F177 HydrophobicContact CZ-CE1 4.47Å; F128-F177 AromaticContact CZ-CZ 3.76Å; F128-F177 HydrophobicContact CZ-CZ 3.76Å; F128-P179 HydrophobicContact CE2-CB 3.86Å; F128-P179 HydrophobicContact CE2-CG 3.88Å; F128-P179 HydrophobicContact CZ-CB 3.68Å; F128-P179 HydrophobicContact CZ-CG 4.23Å; F128-H184 WeakPolarHBondContact CE1-O 3.44Å; F128-H184 HydrophobicContact CZ-CB 4.27Å; F128-H184 WeakPolarHBondContact CZ-O 3.37Å; F128-L185 HydrophobicContact CD2-CD2 4.23Å; F128-L185 HydrophobicContact CE2-CD2 3.32Å; F128-L185 HydrophobicContact CZ-CD2 3.68Å
129D98.8Very high98.5Very high70 Ų7061.6 Ų61.637%0.37435%0.348SS..THydrogen-bonded Turntrans56.326.3176.8-69.1-37.5000116.4R161 I162 P163 H164D129-R161 IonicContact OD1-CZ 2.93Å; D129-R161 IonicContact OD1-NE 4Å; D129-R161 PolarHBondContact OD1-NE 2.87Å; D129-R161 IonicContact OD1-NH2 3.49Å; D129-R161 PolarHBondContact OD1-NH2 3.46Å; D129-I162 PolarHBondContact N-O 3.21Å; D129-P163 WeakPolarHBondContact OD1-CA 3.46Å; D129-H164 PolarHBondContact OD1-N 2.92Å; D129-H164 WeakPolarHBondContact OD2-CB 3.48Å; D129-H164 IonicContact OD2-CD2 3.03Å; D129-H164 PolarHBondContact OD2-CD2 3.2Å; D129-H164 IonicContact OD2-CG 2.78Å
130R98.9Very high98.3Very high147 Ų14761.1 Ų61.156%0.55535%0.35SS*.  trans-97.7145.5171.5-61.3-60.2-173.5163-2.6111.4T126 F128 L132 R161T126-R130 WeakPolarHBondContact O-CG 3.05Å; T126-R130 PolarHBondContact O-NE 2.86Å; F128-R130 PolarHBondContact O-N 3.37Å; F128-R130 VanDerWaalsContact O-N 3.11Å; R130-L132 HydrophobicContact CB-CD2 3.68Å; R130-L132 HydrophobicContact CB-CG 3.95Å; R130-L132 PolarHBondContact O-N 3.4Å; R130-R161 WeakPolarHBondContact O-CD 3.17Å
131D98.9Very high98.2Very high117 Ų11765.7 Ų65.763%0.62636%0.355SS*.  trans-79.395.1168.2-72-0.9000107.9P158 R161D131-P158 HydrophobicContact CB-CB 3.75Å; D131-R161 IonicContact OD1-NH1 3.22Å; D131-R161 PolarHBondContact OD1-NH1 3.3Å
132L98.9Very high97.9Very high30 Ų3063.1 Ų63.116%0.15733%0.325CS..BIsolated β-bridgetrans-97155.7-171.8-60.6173.2000111.3W127 R130 P158 I159 L160 I162W127-L132 HydrophobicContact CE3-CD1 4.17Å; W127-L132 HydrophobicContact CE3-CD2 4.01Å; W127-L132 HydrophobicContact CZ3-CD2 4.18Å; R130-L132 HydrophobicContact CB-CD2 3.68Å; R130-L132 HydrophobicContact CB-CG 3.95Å; R130-L132 PolarHBondContact O-N 3.4Å; L132-P158 WeakPolarHBondContact O-CA 3.45Å; L132-I159 PolarHBondContact O-N 3.23Å; L132-L160 WeakPolarHBondContact CA-O 3.12Å; L132-L160 HydrophobicContact CB-CB 3.91Å; L132-L160 WeakPolarHBondContact CB-O 3.45Å; L132-L160 PolarHBondContact N-O 3.04Å; L132-L160 PolarHBondContact O-N 3.47Å; L132-I162 HydrophobicContact CD1-CD1 4Å; L132-I162 HydrophobicContact CD1-CG1 4.07Å
133T98.8Very high97.5Very high51 Ų5168.6 Ų68.631%0.31336%0.358SS..  trans-137179.8172.1-166.80000111.3I155 R157T133-I155 WeakPolarHBondContact CB-O 3.46Å; T133-I155 PolarHBondContact OG1-O 3.38Å; T133-R157 WeakPolarHBondContact CB-O 3.4Å; T133-R157 PolarHBondContact OG1-O 2.97Å; T133-R157 VanDerWaalsContact OG1-O 3.12Å
134L98.6Very high97.2Very high31 Ų3169.2 Ų69.216%0.16237%0.367CS..  trans-112.3134.4175.9-66.6174.9000111.2V100 I155 I159 L160 L218V100-L134 HydrophobicContact CG2-CD1 4.26Å; V100-L134 HydrophobicContact CG2-CD2 3.51Å; L134-I155 HydrophobicContact CB-CD1 4.38Å; L134-I155 PolarHBondContact O-N 3.11Å; L134-I159 HydrophobicContact CB-CD1 4.38Å; L134-I159 HydrophobicContact CD1-CD1 4.11Å; L134-I159 HydrophobicContact CG-CD1 4.1Å; L134-L160 HydrophobicContact CD1-CD1 4.1Å; L134-L160 HydrophobicContact CD2-CD1 3.64Å; L134-L160 HydrophobicContact CG-CD1 3.64Å; L134-L218 HydrophobicContact CD1-CD1 3.42Å; L134-L218 VanDerWaalsContact CD1-CD1 3.42Å
135A98.7Very high97Very high32 Ų3270.3 Ų70.326%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-140.4141.316700000110.8P27 V153 H154P27-A135 HydrophobicContact CB-CB 3.58Å; P27-A135 HydrophobicContact CG-CB 3.35Å; A135-V153 CarbonylContact C-O 3.54Å; A135-V153 VanDerWaalsContact CA-O 3.23Å; A135-V153 WeakPolarHBondContact CA-O 3.3Å; A135-H154 HydrophobicContact CB-CB 4.23Å
136G98.5Very high96.9Very high16 Ų1669.7 Ų69.717%0.16538%0.382CS..EExtended strand (participates in β ladder)trans175.5-148.6-175.700000112.9H31 L152 V153H31-G136 PolarHBondContact CE1-O 2.97Å; G136-L152 WeakPolarHBondContact O-CA 3.49Å; G136-V153 PolarHBondContact N-O 3.25Å; G136-V153 PolarHBondContact O-N 2.99Å; G136-V153 VanDerWaalsContact O-N 3.08Å
137R98.2Very high96.7Very high80 Ų8075.1 Ų75.130%0.30239%0.394SS..EExtended strand (participates in β ladder)trans-131.9152.1173.568.9172-179.6-165-6110.6F30 N67 Q150 R151 L152F30-R137 HydrophobicContact CD1-CG 4.4Å; F30-R137 HydrophobicContact CD2-CB 4.27Å; F30-R137 HydrophobicContact CD2-CG 4.06Å; F30-R137 HydrophobicContact CE1-CG 4.22Å; F30-R137 HydrophobicContact CE2-CG 3.85Å; F30-R137 HydrophobicContact CG-CB 4.39Å; F30-R137 HydrophobicContact CG-CG 4.34Å; F30-R137 HydrophobicContact CZ-CG 3.94Å; N67-R137 PolarHBondContact O-NH1 3.23Å; N67-R137 PolarHBondContact OD1-NH1 3.46Å; N67-R137 VanDerWaalsContact OD1-NH1 3.13Å; N67-R137 PolarHBondContact OD1-NH2 2.88Å; R137-Q150 HydrophobicContact CB-CG 4.03Å; R137-R151 CarbonylContact C-O 3.45Å; R137-R151 WeakPolarHBondContact CA-O 3.42Å; R137-L152 HydrophobicContact CB-CD2 4.11Å
138V96.9Very high96.7Very high39 Ų3978.5 Ų78.524%0.23642%0.417CS..EExtended strand (participates in β ladder)trans-118.4147.9165.7-64.80000109.1I140 Q150 R151 V153V138-I140 HydrophobicContact CB-CG2 4.31Å; V138-I140 HydrophobicContact CG2-CG2 3.9Å; V138-Q150 WeakPolarHBondContact O-CA 3.42Å; V138-R151 HydrophobicContact CG2-CB 3.94Å; V138-R151 PolarHBondContact N-O 3.15Å; V138-R151 PolarHBondContact O-N 2.84Å; V138-V153 HydrophobicContact CG1-CG2 4.32Å; V138-V153 HydrophobicContact CG2-CG2 4.04Å
139I96.9Very high96.5Very high101 Ų10180.4 Ų80.452%0.51843%0.425SS..EExtended strand (participates in β ladder)trans-107.2116.2169.8-54.2-59000106.4L148 E149 Q150I139-L148 HydrophobicContact CG2-CB 4.37Å; I139-E149 WeakPolarHBondContact CA-O 3.2Å; I139-Q150 HydrophobicContact CD1-CB 3.94Å; I139-Q150 HydrophobicContact CD1-CG 4.02Å
140I94.7Very high96.4Very high71 Ų7179.8 Ų79.836%0.36442%0.421SS..EExtended strand (participates in β ladder)trans-117.5149.6-175.159.8172.7000110V138 L148 E149 R151V138-I140 HydrophobicContact CB-CG2 4.31Å; V138-I140 HydrophobicContact CG2-CG2 3.9Å; I140-L148 CarbonylContact O-C 3.02Å; I140-L148 WeakPolarHBondContact O-CA 3.46Å; I140-E149 HydrophobicContact CG1-CB 4.35Å; I140-E149 PolarHBondContact N-O 2.78Å; I140-E149 PolarHBondContact O-N 2.86Å; I140-R151 HydrophobicContact CD1-CG 3.78Å; I140-R151 HydrophobicContact CG1-CG 4.41Å
141K95.8Very high96.3Very high148 Ų14878.6 Ų78.664%0.64342%0.416SS*.EExtended strand (participates in β ladder)trans-89.1117.1168.1-169.9177.1-178.7-1790108P143 G146 L148K141-P143 WeakPolarHBondContact O-CD 3.26Å; K141-G146 WeakPolarHBondContact CE-O 3.21Å; K141-G146 WeakPolarHBondContact CG-O 3.4Å; K141-L148 HydrophobicContact CB-CD2 4.14Å; K141-L148 HydrophobicContact CG-CD2 4.43Å
142C92.6Very high96.3Very high19 Ų1976.2 Ų76.213%0.12840%0.403CS..  trans-59.4120.1177.2-175.80000109.6T144 S145 G146 R147 E149C142-T144 VanDerWaalsContact C-N 3.26Å; C142-T144 PolarHBondContact O-N 3.06Å; C142-T144 PolarHBondContact SG-OG1 3.1Å; C142-S145 WeakPolarHBondContact CB-OG 3.34Å; C142-S145 PolarHBondContact SG-OG 2.85Å; C142-G146 VanDerWaalsContact O-CA 3.26Å; C142-G146 WeakPolarHBondContact O-CA 3.4Å; C142-G146 PolarHBondContact O-N 2.96Å; C142-R147 WeakPolarHBondContact CB-O 3.4Å; C142-R147 PolarHBondContact N-O 3.49Å; C142-E149 HydrophobicContact CB-CG 4.41Å; C142-E149 WeakPolarHBondContact CB-OE1 3.43Å; C142-E149 PolarHBondContact SG-OE1 2.64Å
143P90.1Very high96.2Very high131 Ų13176 Ų7685%0.85140%0.403SS*.THydrogen-bonded Turntrans-62.6-32.5-173.8-25.734.8000113.5K141K141-P143 WeakPolarHBondContact O-CD 3.26Å
144T92.8Very high96.2Very high137 Ų13776.4 Ų76.484%0.8440%0.401SS*.THydrogen-bonded Turntrans-86-43.4-177540000112.7C142C142-T144 VanDerWaalsContact C-N 3.26Å; C142-T144 PolarHBondContact O-N 3.06Å; C142-T144 PolarHBondContact SG-OG1 3.1Å
145S94.7Very high96.2Very high59 Ų5975.7 Ų75.741%0.41340%0.397SS..THydrogen-bonded Turntrans-95.6-15.2-17574.60000114.2C142 R147C142-S145 WeakPolarHBondContact CB-OG 3.34Å; C142-S145 PolarHBondContact SG-OG 2.85Å; S145-R147 PolarHBondContact O-N 3.31Å; S145-R147 VanDerWaalsContact O-N 3.13Å; S145-R147 WeakPolarHBondContact OG-CB 3.4Å; S145-R147 PolarHBondContact OG-N 2.74Å
146G95.1Very high96.2Very high36 Ų3682.3 Ų82.337%0.37142%0.423SS..  trans69.2-1.5-173.100000115K141 C142K141-G146 WeakPolarHBondContact CE-O 3.21Å; K141-G146 WeakPolarHBondContact CG-O 3.4Å; C142-G146 VanDerWaalsContact O-CA 3.26Å; C142-G146 WeakPolarHBondContact O-CA 3.4Å; C142-G146 PolarHBondContact O-N 2.96Å
147R96.3Very high96.2Very high186 Ų18688.2 Ų88.270%0.70244%0.44SS*.  trans-74.9149.5-178.9-64-177.4177.3-171.6-0.8111.5C142 S145C142-R147 WeakPolarHBondContact CB-O 3.4Å; C142-R147 PolarHBondContact N-O 3.49Å; S145-R147 PolarHBondContact O-N 3.31Å; S145-R147 VanDerWaalsContact O-N 3.13Å; S145-R147 WeakPolarHBondContact OG-CB 3.4Å; S145-R147 PolarHBondContact OG-N 2.74Å
148L97.1Very high96.2Very high133 Ų13388.3 Ų88.370%0.69645%0.451SS*.EExtended strand (participates in β ladder)trans-80.1130.2169.5-63-179.8000109.6I139 I140 K141I139-L148 HydrophobicContact CG2-CB 4.37Å; I140-L148 CarbonylContact O-C 3.02Å; I140-L148 WeakPolarHBondContact O-CA 3.46Å; K141-L148 HydrophobicContact CB-CD2 4.14Å; K141-L148 HydrophobicContact CG-CD2 4.43Å
149E95.8Very high96.3Very high54 Ų5487.3 Ų87.325%0.25244%0.444SS..EExtended strand (participates in β ladder)trans-131.6147.5-179.3-63.9-175-156.800110.9I139 I140 C142 R151I139-E149 WeakPolarHBondContact CA-O 3.2Å; I140-E149 HydrophobicContact CG1-CB 4.35Å; I140-E149 PolarHBondContact N-O 2.78Å; I140-E149 PolarHBondContact O-N 2.86Å; C142-E149 HydrophobicContact CB-CG 4.41Å; C142-E149 WeakPolarHBondContact CB-OE1 3.43Å; C142-E149 PolarHBondContact SG-OE1 2.64Å; E149-R151 IonicContact OE2-CZ 3.22Å; E149-R151 IonicContact OE2-NH1 3.7Å; E149-R151 PolarHBondContact OE2-NH1 2.78Å; E149-R151 IonicContact OE2-NH2 3.24Å; E149-R151 PolarHBondContact OE2-NH2 2.67Å
150Q96.8Very high96.4Very high58 Ų5883.1 Ų83.127%0.27142%0.422SS..EExtended strand (participates in β ladder)trans-91.8140.8170.8-173.8-178.2-92.800109.8S68 R137 V138 I139S68-Q150 PolarHBondContact OG-NE2 2.96Å; S68-Q150 PolarHBondContact OG-OE1 3.46Å; R137-Q150 HydrophobicContact CB-CG 4.03Å; V138-Q150 WeakPolarHBondContact O-CA 3.42Å; I139-Q150 HydrophobicContact CD1-CB 3.94Å; I139-Q150 HydrophobicContact CD1-CG 4.02Å
151R96.4Very high96.6Very high122 Ų12284.2 Ų84.246%0.4642%0.422SS..EExtended strand (participates in β ladder)trans-130.5140.9165.1-67.3-65-174.4-87.1-3.3110R137 V138 I140 E149R137-R151 CarbonylContact C-O 3.45Å; R137-R151 WeakPolarHBondContact CA-O 3.42Å; V138-R151 HydrophobicContact CG2-CB 3.94Å; V138-R151 PolarHBondContact N-O 3.15Å; V138-R151 PolarHBondContact O-N 2.84Å; I140-R151 HydrophobicContact CD1-CG 3.78Å; I140-R151 HydrophobicContact CG1-CG 4.41Å; E149-R151 IonicContact OE2-CZ 3.22Å; E149-R151 IonicContact OE2-NH1 3.7Å; E149-R151 PolarHBondContact OE2-NH1 2.78Å; E149-R151 IonicContact OE2-NH2 3.24Å; E149-R151 PolarHBondContact OE2-NH2 2.67Å
152L98.3Very high96.7Very high67 Ų6777.2 Ų77.235%0.35139%0.392SS..EExtended strand (participates in β ladder)trans-83.6142.1168.6-61.5-174.8000108.7F30 A34 G136 R137F30-L152 HydrophobicContact CB-CD2 3.55Å; F30-L152 HydrophobicContact CG-CD2 4.49Å; A34-L152 HydrophobicContact CB-CD1 3.65Å; G136-L152 WeakPolarHBondContact O-CA 3.49Å; R137-L152 HydrophobicContact CB-CD2 4.11Å
153V98.1Very high97Very high26 Ų2679 Ų7916%0.15840%0.403CS..EExtended strand (participates in β ladder)trans-130.1135.4175.7179.20000107.8H31 A135 G136 V138 I155 L222H31-V153 PolarHBondContact CE1-O 3.28Å; A135-V153 CarbonylContact C-O 3.54Å; A135-V153 VanDerWaalsContact CA-O 3.23Å; A135-V153 WeakPolarHBondContact CA-O 3.3Å; G136-V153 PolarHBondContact N-O 3.25Å; G136-V153 PolarHBondContact O-N 2.99Å; G136-V153 VanDerWaalsContact O-N 3.08Å; V138-V153 HydrophobicContact CG1-CG2 4.32Å; V138-V153 HydrophobicContact CG2-CG2 4.04Å; V153-I155 HydrophobicContact CG1-CG1 4.43Å; V153-L222 HydrophobicContact CG1-CD2 3.85Å
154H98.4Very high97.4Very high59 Ų5975.9 Ų75.927%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-143.3120.4170.3179.4-150.7000108.2A135 E156A135-H154 HydrophobicContact CB-CB 4.23Å; H154-E156 WeakPolarHBondContact ND1-CG 3.37Å; H154-E156 IonicContact ND1-OE1 3.49Å; H154-E156 PolarHBondContact O-N 2.95Å
155I98.4Very high97.7Very high16 Ų1673.7 Ų73.78%0.08236%0.36CS..  trans-90.3103.1178.1-61.6165.8000107.4T133 L134 V153 R157 I159 L221 L222T133-I155 WeakPolarHBondContact CB-O 3.46Å; T133-I155 PolarHBondContact OG1-O 3.38Å; L134-I155 HydrophobicContact CB-CD1 4.38Å; L134-I155 PolarHBondContact O-N 3.11Å; V153-I155 HydrophobicContact CG1-CG1 4.43Å; I155-R157 HydrophobicContact CG2-CG 3.77Å; I155-R157 PolarHBondContact O-N 3.14Å; I155-I159 HydrophobicContact CB-CD1 4.35Å; I155-I159 HydrophobicContact CD1-CD1 3.54Å; I155-I159 HydrophobicContact CG2-CD1 4.2Å; I155-I159 HydrophobicContact CG2-CG1 4.42Å; I155-I159 HydrophobicContact CG2-CG2 3.89Å; I155-L221 HydrophobicContact CD1-CB 3.62Å; I155-L221 HydrophobicContact CD1-CD1 4.29Å; I155-L222 HydrophobicContact CD1-CD2 4.43Å
156E97.6Very high97.9Very high171 Ų17173.3 Ų73.380%0.79936%0.36SS*.  trans-80.446.2-173.6-64.7-169.7-166.100113.3H154H154-E156 WeakPolarHBondContact ND1-CG 3.37Å; H154-E156 IonicContact ND1-OE1 3.49Å; H154-E156 PolarHBondContact O-N 2.95Å
157R98.4Very high98Very high140 Ų14075.1 Ų75.153%0.52836%0.36SS..SBendtrans-156.9153.8172.361.6-178.8-177.889.3-2.4109.6T133 I155 I159T133-R157 WeakPolarHBondContact CB-O 3.4Å; T133-R157 PolarHBondContact OG1-O 2.97Å; T133-R157 VanDerWaalsContact OG1-O 3.12Å; I155-R157 HydrophobicContact CG2-CG 3.77Å; I155-R157 PolarHBondContact O-N 3.14Å; R157-I159 HydrophobicContact CG-CG2 4.1Å; R157-I159 VanDerWaalsContact NH1-CG2 3.26Å; R157-I159 PolarHBondContact O-N 2.87Å
158P98.6Very high98.1Very high82 Ų8273.4 Ų73.453%0.53236%0.36SS..  trans-70.2130.4177.130.6-35.5000110.8D131 L132D131-P158 HydrophobicContact CB-CB 3.75Å; L132-P158 WeakPolarHBondContact O-CA 3.45Å
159I98.6Very high98.2Very high18 Ų1873.4 Ų73.49%0.09236%0.36CS..  trans-134.2-12.6-177.653.5157.7000113.2L132 L134 I155 R157 L189 L221L132-I159 PolarHBondContact O-N 3.23Å; L134-I159 HydrophobicContact CB-CD1 4.38Å; L134-I159 HydrophobicContact CD1-CD1 4.11Å; L134-I159 HydrophobicContact CG-CD1 4.1Å; I155-I159 HydrophobicContact CB-CD1 4.35Å; I155-I159 HydrophobicContact CD1-CD1 3.54Å; I155-I159 HydrophobicContact CG2-CD1 4.2Å; I155-I159 HydrophobicContact CG2-CG1 4.42Å; I155-I159 HydrophobicContact CG2-CG2 3.89Å; R157-I159 HydrophobicContact CG-CG2 4.1Å; R157-I159 VanDerWaalsContact NH1-CG2 3.26Å; R157-I159 PolarHBondContact O-N 2.87Å; I159-L189 HydrophobicContact CB-CD1 4.31Å; I159-L189 HydrophobicContact CD1-CD1 4.45Å; I159-L189 WeakPolarHBondContact O-CD1 3.5Å; I159-L221 HydrophobicContact CD1-CD1 4.11Å
160L98.9Very high98.3Very high12 Ų1273.9 Ų73.96%0.06336%0.362CS..BIsolated β-bridgetrans-129.2146.2-176-70.7171.2000110.1V114 L132 L134 P187 I188 L189V114-L160 HydrophobicContact CB-CD2 4.29Å; V114-L160 HydrophobicContact CG2-CD2 3.93Å; L132-L160 WeakPolarHBondContact CA-O 3.12Å; L132-L160 HydrophobicContact CB-CB 3.91Å; L132-L160 WeakPolarHBondContact CB-O 3.45Å; L132-L160 PolarHBondContact N-O 3.04Å; L132-L160 PolarHBondContact O-N 3.47Å; L134-L160 HydrophobicContact CD1-CD1 4.1Å; L134-L160 HydrophobicContact CD2-CD1 3.64Å; L134-L160 HydrophobicContact CG-CD1 3.64Å; L160-P187 HydrophobicContact CB-CB 4.03Å; L160-P187 HydrophobicContact CD1-CG 4.48Å; L160-P187 HydrophobicContact CD2-CB 3.96Å; L160-P187 HydrophobicContact CD2-CG 4.11Å; L160-P187 HydrophobicContact CG-CB 4.44Å; L160-I188 WeakPolarHBondContact CA-O 3.47Å; L160-L189 HydrophobicContact CD2-CB 3.84Å; L160-L189 HydrophobicContact CD2-CD1 3.9Å; L160-L189 HydrophobicContact CD2-CG 4.46Å
161R98.9Very high98.3Very high94 Ų9480.4 Ų80.436%0.35539%0.385SS..BIsolated β-bridgetrans-143.9131.5176.9-178.265.2171.3-123.52110.4D129 R130 D131 P163 P187 I188D129-R161 IonicContact OD1-CZ 2.93Å; D129-R161 IonicContact OD1-NE 4Å; D129-R161 PolarHBondContact OD1-NE 2.87Å; D129-R161 IonicContact OD1-NH2 3.49Å; D129-R161 PolarHBondContact OD1-NH2 3.46Å; R130-R161 WeakPolarHBondContact O-CD 3.17Å; D131-R161 IonicContact OD1-NH1 3.22Å; D131-R161 PolarHBondContact OD1-NH1 3.3Å; R161-P163 VanDerWaalsContact O-CD 3.3Å; R161-P163 WeakPolarHBondContact O-CD 3.14Å; R161-P187 CarbonylContact O-C 3.44Å; R161-P187 WeakPolarHBondContact O-CA 3.46Å; R161-I188 PolarHBondContact N-O 2.72Å; R161-I188 VanDerWaalsContact N-O 3.13Å; R161-I188 PolarHBondContact O-N 2.77Å
162I98.9Very high98.4Very high1 Ų179.8 Ų79.81%0.00539%0.39CS..  trans-103.495.6167.6-56.9172.4000106.8L98 W127 F128 D129 L132 L185 P187L98-I162 HydrophobicContact CD1-CD1 3.31Å; W127-I162 HydrophobicContact CB-CD1 4.4Å; F128-I162 CarbonylContact C-O 3.56Å; F128-I162 VanDerWaalsContact CA-O 3.3Å; F128-I162 WeakPolarHBondContact CA-O 3.2Å; F128-I162 HydrophobicContact CD1-CG2 3.69Å; F128-I162 HydrophobicContact CD2-CG2 4.47Å; F128-I162 HydrophobicContact CE1-CG2 3.69Å; F128-I162 HydrophobicContact CE2-CG2 4.49Å; F128-I162 HydrophobicContact CG-CG2 4.09Å; F128-I162 HydrophobicContact CZ-CG2 4.11Å; D129-I162 PolarHBondContact N-O 3.21Å; L132-I162 HydrophobicContact CD1-CD1 4Å; L132-I162 HydrophobicContact CD1-CG1 4.07Å; I162-L185 WeakPolarHBondContact CD1-O 3.22Å; I162-P187 HydrophobicContact CG1-CB 3.77Å; I162-P187 HydrophobicContact CG1-CG 4.49Å
163P98.8Very high98.4Very high57 Ų5777.7 Ų77.737%0.3738%0.379SS..PPolyproline II helixtrans-77.3144.7-176.731.2-34.9000111.6D129 R161 I188D129-P163 WeakPolarHBondContact OD1-CA 3.46Å; R161-P163 VanDerWaalsContact O-CD 3.3Å; R161-P163 WeakPolarHBondContact O-CD 3.14Å; P163-I188 HydrophobicContact CG-CD1 3.91Å
164H98.8Very high98.3Very high66 Ų6683 Ų8331%0.30641%0.406SS..PPolyproline II helixtrans-67.6149.5163.6-92-76.4000111.4F128 D129 F177F128-H164 WeakPolarHBondContact CB-CD2 3.45Å; F128-H164 VanDerWaalsContact CB-NE2 3.31Å; F128-H164 WeakPolarHBondContact CB-NE2 3.35Å; F128-H164 AromaticContact CD1-CG 3.93Å; F128-H164 AromaticContact CD1-ND1 3.93Å; F128-H164 AromaticContact CG-CD2 3.97Å; F128-H164 AromaticContact CG-CE1 3.96Å; F128-H164 AromaticContact CG-NE2 3.75Å; D129-H164 PolarHBondContact OD1-N 2.92Å; D129-H164 WeakPolarHBondContact OD2-CB 3.48Å; D129-H164 IonicContact OD2-CD2 3.03Å; D129-H164 PolarHBondContact OD2-CD2 3.2Å; D129-H164 IonicContact OD2-CG 2.78Å; H164-F177 AromaticContact CE1-CE1 3.36Å; H164-F177 WeakPolarHBondContact CE1-CE1 3.37Å; H164-F177 AromaticContact CE1-CE2 3.78Å; H164-F177 AromaticContact CE1-CZ 3.21Å; H164-F177 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F177 AromaticContact ND1-CE2 3.89Å; H164-F177 AromaticContact ND1-CZ 3.63Å
165L98.6Very high98.3Very high91 Ų9186.7 Ų86.748%0.47642%0.424SS..PPolyproline II helixtrans-69.7134.9159.7-178.961000108.7I167 L169 Q170L165-I167 PolarHBondContact O-N 3.04Å; L165-L169 HydrophobicContact CD1-CB 3.98Å; L165-L169 HydrophobicContact CD1-CD1 3.8Å; L165-L169 HydrophobicContact CD2-CB 4.14Å; L165-L169 HydrophobicContact CG-CB 4.01Å; L165-Q170 HydrophobicContact CD2-CB 4.12Å
166A98.6Very high98.3Very high51 Ų5192 Ų9242%0.42145%0.452SS..PPolyproline II helixtrans-57.4136.4179.500000111.4H168 L169 Q170A166-H168 PolarHBondContact O-N 3.42Å; A166-L169 WeakPolarHBondContact O-CA 3.48Å; A166-L169 PolarHBondContact O-N 3.13Å; A166-Q170 PolarHBondContact O-N 3.04Å
167I98.4Very high98.3Very high73 Ų7386.3 Ų86.337%0.37443%0.425SS..G310 helixtrans-54.6-30.6-178.9-171.9163.9000113.4L165 L169 Q170 R171 I173L165-I167 PolarHBondContact O-N 3.04Å; I167-L169 PolarHBondContact O-N 2.71Å; I167-L169 VanDerWaalsContact O-N 3.15Å; I167-Q170 CarbonylContact O-C 3.46Å; I167-Q170 PolarHBondContact O-N 3.24Å; I167-R171 WeakPolarHBondContact O-CA 3.45Å; I167-R171 PolarHBondContact O-N 3.04Å; I167-I173 HydrophobicContact CB-CG2 4.27Å; I167-I173 HydrophobicContact CD1-CG2 3.75Å; I167-I173 HydrophobicContact CG1-CG2 3.72Å
168H98.5Very high98.3Very high151 Ų15182.6 Ų82.670%0.69943%0.431SS*.G310 helixtrans-56.8-30.6175-54.292.5000113.2A166A166-H168 PolarHBondContact O-N 3.42Å
169L98.3Very high98.2Very high133 Ų13379.9 Ų79.970%0.69641%0.413SS*.G310 helixtrans-99-8178.7-58.1177.4000112.8L165 A166 I167L165-L169 HydrophobicContact CD1-CB 3.98Å; L165-L169 HydrophobicContact CD1-CD1 3.8Å; L165-L169 HydrophobicContact CD2-CB 4.14Å; L165-L169 HydrophobicContact CG-CB 4.01Å; A166-L169 WeakPolarHBondContact O-CA 3.48Å; A166-L169 PolarHBondContact O-N 3.13Å; I167-L169 PolarHBondContact O-N 2.71Å; I167-L169 VanDerWaalsContact O-N 3.15Å
170Q97.8Very high98.2Very high63 Ų6382.9 Ų82.929%0.29443%0.429SS..SBendtrans-140.968.4175.1-168-179.2-8.200109.8L165 A166 I167 N172 I173L165-Q170 HydrophobicContact CD2-CB 4.12Å; A166-Q170 PolarHBondContact O-N 3.04Å; I167-Q170 CarbonylContact O-C 3.46Å; I167-Q170 PolarHBondContact O-N 3.24Å; Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.13Å; Q170-I173 HydrophobicContact CG-CB 4.12Å; Q170-I173 WeakPolarHBondContact O-CB 3.26Å; Q170-I173 PolarHBondContact O-N 3.12Å; Q170-I173 VanDerWaalsContact O-N 3.14Å
171R97.6Very high98.2Very high196 Ų19685.3 Ų85.374%0.7445%0.445SS*.THydrogen-bonded Turntrans-59.8-31.4-165.3-63.9-174.9-180-1610.8114.3I167 I173I167-R171 WeakPolarHBondContact O-CA 3.45Å; I167-R171 PolarHBondContact O-N 3.04Å; R171-I173 VanDerWaalsContact C-N 3.34Å; R171-I173 PolarHBondContact O-N 3.09Å
172N97.8Very high98.2Very high109 Ų10984.2 Ų84.258%0.58344%0.443SS*.THydrogen-bonded Turntrans-90.412.1-175.9-62.681.7000114Q170 N174 E175 N176Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.13Å; N172-N174 PolarHBondContact O-N 3.28Å; N172-E175 WeakPolarHBondContact CA-OE2 3.26Å; N172-E175 WeakPolarHBondContact CB-OE2 3.45Å; N172-E175 VanDerWaalsContact CG-OE2 3.26Å; N172-E175 PolarHBondContact ND2-OE2 2.67Å; N172-E175 PolarHBondContact O-N 3.21Å; N172-N176 PolarHBondContact O-N 3.4Å
173I97.8Very high98.2Very high22 Ų2289.1 Ų89.111%0.11347%0.469CS..THydrogen-bonded Turntrans-60.1-31.7-174.8-165170.7000113.5I167 Q170 R171 E175 N176 F177I167-I173 HydrophobicContact CB-CG2 4.27Å; I167-I173 HydrophobicContact CD1-CG2 3.75Å; I167-I173 HydrophobicContact CG1-CG2 3.72Å; Q170-I173 HydrophobicContact CG-CB 4.12Å; Q170-I173 WeakPolarHBondContact O-CB 3.26Å; Q170-I173 PolarHBondContact O-N 3.12Å; Q170-I173 VanDerWaalsContact O-N 3.14Å; R171-I173 VanDerWaalsContact C-N 3.34Å; R171-I173 PolarHBondContact O-N 3.09Å; I173-E175 VanDerWaalsContact C-N 3.31Å; I173-N176 CarbonylContact O-C 3.55Å; I173-F177 HydrophobicContact CD1-CD2 3.64Å; I173-F177 HydrophobicContact CD1-CE2 3.95Å; I173-F177 HydrophobicContact CD1-CG 4.29Å; I173-F177 HydrophobicContact CG1-CB 3.93Å; I173-F177 HydrophobicContact CG1-CD2 3.57Å; I173-F177 HydrophobicContact CG1-CE2 4.37Å; I173-F177 HydrophobicContact CG1-CG 3.96Å
174N97.8Very high98.2Very high137 Ų13791.3 Ų91.373%0.73347%0.474SS*.THydrogen-bonded Turntrans-73.3-23.6178.8-70.4-26.2000112.6N172N172-N174 PolarHBondContact O-N 3.28Å
175E98Very high98.2Very high137 Ų13788.2 Ų88.264%0.6446%0.459SS*.THydrogen-bonded Turntrans-83.3-39.2174.9-61.1108.4-139.200111.5N172 I173N172-E175 WeakPolarHBondContact CA-OE2 3.26Å; N172-E175 WeakPolarHBondContact CB-OE2 3.45Å; N172-E175 VanDerWaalsContact CG-OE2 3.26Å; N172-E175 PolarHBondContact ND2-OE2 2.67Å; N172-E175 PolarHBondContact O-N 3.21Å; I173-E175 VanDerWaalsContact C-N 3.31Å
176N97Very high98.2Very high127 Ų12784.4 Ų84.468%0.67944%0.44SS*.  trans-154.1119.6177.6-173.85.1000111.7N172 I173N172-N176 PolarHBondContact O-N 3.4Å; I173-N176 CarbonylContact O-C 3.55Å
177F98.2Very high98.2Very high53 Ų5382.1 Ų82.123%0.23242%0.421CS..  trans-118.499.9172.7-178.1-121.3000111.1F128 H164 I173 P179F128-F177 HydrophobicContact CD1-CZ 4.37Å; F128-F177 HydrophobicContact CD2-CE1 4.1Å; F128-F177 HydrophobicContact CD2-CZ 4.08Å; F128-F177 HydrophobicContact CE1-CZ 4.08Å; F128-F177 AromaticContact CE2-CE1 4Å; F128-F177 HydrophobicContact CE2-CE1 4Å; F128-F177 AromaticContact CE2-CZ 3.74Å; F128-F177 HydrophobicContact CE2-CZ 3.74Å; F128-F177 HydrophobicContact CG-CZ 4.38Å; F128-F177 HydrophobicContact CZ-CE1 4.47Å; F128-F177 AromaticContact CZ-CZ 3.76Å; F128-F177 HydrophobicContact CZ-CZ 3.76Å; H164-F177 AromaticContact CE1-CE1 3.36Å; H164-F177 WeakPolarHBondContact CE1-CE1 3.37Å; H164-F177 AromaticContact CE1-CE2 3.78Å; H164-F177 AromaticContact CE1-CZ 3.21Å; H164-F177 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F177 AromaticContact ND1-CE2 3.89Å; H164-F177 AromaticContact ND1-CZ 3.63Å; I173-F177 HydrophobicContact CD1-CD2 3.64Å; I173-F177 HydrophobicContact CD1-CE2 3.95Å; I173-F177 HydrophobicContact CD1-CG 4.29Å; I173-F177 HydrophobicContact CG1-CB 3.93Å; I173-F177 HydrophobicContact CG1-CD2 3.57Å; I173-F177 HydrophobicContact CG1-CE2 4.37Å; I173-F177 HydrophobicContact CG1-CG 3.96Å; F177-P179 HydrophobicContact CD1-CG 4.44Å; F177-P179 HydrophobicContact CE1-CB 4.35Å; F177-P179 HydrophobicContact CE1-CG 3.82Å; F177-P179 HydrophobicContact CE2-CB 4.23Å; F177-P179 HydrophobicContact CE2-CG 4.47Å; F177-P179 HydrophobicContact CZ-CB 3.84Å; F177-P179 HydrophobicContact CZ-CG 3.84Å; F177-P179 WeakPolarHBondContact O-CD 3.41Å
178G97.8Very high98.2Very high62 Ų6280.4 Ų80.464%0.63941%0.412SS*.  trans-117.881.2176.500000111.7N180G178-N180 PolarHBondContact O-N 2.93Å
179P98.3Very high98.2Very high25 Ų2574.4 Ų74.416%0.16239%0.385CS..  trans-65.7134-179.827-33.6000111F128 F177 T181 H184F128-P179 HydrophobicContact CE2-CB 3.86Å; F128-P179 HydrophobicContact CE2-CG 3.88Å; F128-P179 HydrophobicContact CZ-CB 3.68Å; F128-P179 HydrophobicContact CZ-CG 4.23Å; F177-P179 HydrophobicContact CD1-CG 4.44Å; F177-P179 HydrophobicContact CE1-CB 4.35Å; F177-P179 HydrophobicContact CE1-CG 3.82Å; F177-P179 HydrophobicContact CE2-CB 4.23Å; F177-P179 HydrophobicContact CE2-CG 4.47Å; F177-P179 HydrophobicContact CZ-CB 3.84Å; F177-P179 HydrophobicContact CZ-CG 3.84Å; F177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-T181 PolarHBondContact O-N 2.91Å; P179-H184 HydrophobicContact CB-CB 4.05Å
180N98.7Very high98.2Very high80 Ų8069.1 Ų69.143%0.42836%0.361SS..  trans-67.1121.5168.6-179.1-66.6000108.9G178 E182 I183 H184G178-N180 PolarHBondContact O-N 2.93Å; N180-E182 PolarHBondContact O-N 3.46Å; N180-E182 WeakPolarHBondContact OD1-CB 3.46Å; N180-E182 PolarHBondContact OD1-N 3.13Å; N180-I183 HydrophobicContact CB-CB 4.43Å; N180-I183 PolarHBondContact O-N 3.43Å; N180-I183 PolarHBondContact OD1-N 2.94Å; N180-I183 VanDerWaalsContact OD1-N 3.11Å; N180-H184 PolarHBondContact N-ND1 3.02Å; N180-H184 WeakPolarHBondContact O-CB 3.41Å; N180-H184 PolarHBondContact O-N 3.36Å
181T98.6Very high98.2Very high64 Ų6468.5 Ų68.539%0.39336%0.361SS..THydrogen-bonded Turntrans-66.4-24-172.652.20000114T118 P179 L185T118-T181 HydrophobicContact CG2-CG2 4.19Å; P179-T181 PolarHBondContact O-N 2.91Å; T181-L185 HydrophobicContact CG2-CD1 3.97Å
182E98.6Very high98.1Very high70 Ų7060.4 Ų60.433%0.32734%0.336SS..THydrogen-bonded Turntrans-87-32.6-179178.955.5-147.700112.9K101 R106 N180K101-E182 IonicContact NZ-OE1 3.96Å; K101-E182 PolarHBondContact NZ-OE1 2.72Å; K101-E182 IonicContact NZ-OE2 3.25Å; K101-E182 PolarHBondContact NZ-OE2 3.11Å; R106-E182 IonicContact CZ-OE1 3.02Å; R106-E182 PolarHBondContact NH1-O 3.29Å; R106-E182 IonicContact NH1-OE1 2.93Å; R106-E182 PolarHBondContact NH1-OE1 2.97Å; R106-E182 IonicContact NH2-OE1 2.61Å; R106-E182 PolarHBondContact NH2-OE1 3.32Å; N180-E182 PolarHBondContact O-N 3.46Å; N180-E182 WeakPolarHBondContact OD1-CB 3.46Å; N180-E182 PolarHBondContact OD1-N 3.13Å
183I98.4Very high98Very high105 Ų10559.6 Ų59.654%0.53834%0.335SS..THydrogen-bonded Turntrans-106.1-41.3-169.9-53-61.6000111.8N180N180-I183 HydrophobicContact CB-CB 4.43Å; N180-I183 PolarHBondContact O-N 3.43Å; N180-I183 PolarHBondContact OD1-N 2.94Å; N180-I183 VanDerWaalsContact OD1-N 3.11Å
184H98.8Very high97.9Very high103 Ų10362.8 Ų62.848%0.47735%0.349SS..THydrogen-bonded Turntrans-95.2-11.4-170.9-56.6161.9000114F128 P179 N180F128-H184 WeakPolarHBondContact CE1-O 3.44Å; F128-H184 HydrophobicContact CZ-CB 4.27Å; F128-H184 WeakPolarHBondContact CZ-O 3.37Å; P179-H184 HydrophobicContact CB-CB 4.05Å; N180-H184 PolarHBondContact N-ND1 3.02Å; N180-H184 WeakPolarHBondContact O-CB 3.41Å; N180-H184 PolarHBondContact O-N 3.36Å
185L98.8Very high97.6Very high0 Ų057.4 Ų57.40%032%0.32CS..THydrogen-bonded Turntrans-93.712.2178.3-61.4-177.8000113.8L98 V116 T118 W124 F128 I162 T181 P187L98-L185 HydrophobicContact CD2-CD1 4.1Å; V116-L185 HydrophobicContact CG2-CB 4.38Å; V116-L185 WeakPolarHBondContact CG2-O 3.43Å; T118-L185 HydrophobicContact CG2-CD1 3.95Å; W124-L185 HydrophobicContact CB-CD1 3.89Å; W124-L185 HydrophobicContact CB-CD2 4.03Å; W124-L185 HydrophobicContact CD2-CD1 4.3Å; W124-L185 HydrophobicContact CG-CD1 3.91Å; F128-L185 HydrophobicContact CD2-CD2 4.23Å; F128-L185 HydrophobicContact CE2-CD2 3.32Å; F128-L185 HydrophobicContact CZ-CD2 3.68Å; I162-L185 WeakPolarHBondContact CD1-O 3.22Å; T181-L185 HydrophobicContact CG2-CD1 3.97Å; L185-P187 WeakPolarHBondContact O-CD 3.5Å
186V98.8Very high97.2Very high12 Ų1257.8 Ų57.87%0.07332%0.321CS..  trans-83.1108.4-173.7-172.20000109.9R106 Q113R106-V186 VanDerWaalsContact NH1-CG2 3.33Å; Q113-V186 HydrophobicContact CB-CG1 3.79Å; Q113-V186 HydrophobicContact CG-CG1 4.38Å
187P98.8Very high96.9Very high3 Ų357.7 Ų57.72%0.01932%0.32CS..  trans-68.5146.8179.428.5-38.4000112.9Q113 V114 V116 L160 R161 I162 L185Q113-P187 VanDerWaalsContact CA-O 3.29Å; Q113-P187 WeakPolarHBondContact CA-O 3.48Å; Q113-P187 WeakPolarHBondContact CB-O 3.49Å; V114-P187 HydrophobicContact CB-CG 4.25Å; V114-P187 PolarHBondContact N-O 3.49Å; V114-P187 WeakPolarHBondContact O-CD 3.46Å; V114-P187 WeakPolarHBondContact O-CG 3.42Å; V116-P187 HydrophobicContact CG1-CG 3.88Å; L160-P187 HydrophobicContact CB-CB 4.03Å; L160-P187 HydrophobicContact CD1-CG 4.48Å; L160-P187 HydrophobicContact CD2-CB 3.96Å; L160-P187 HydrophobicContact CD2-CG 4.11Å; L160-P187 HydrophobicContact CG-CB 4.44Å; R161-P187 CarbonylContact O-C 3.44Å; R161-P187 WeakPolarHBondContact O-CA 3.46Å; I162-P187 HydrophobicContact CG1-CB 3.77Å; I162-P187 HydrophobicContact CG1-CG 4.49Å; L185-P187 WeakPolarHBondContact O-CD 3.5Å
188I98.9Very high96.3Very high37 Ų3761.7 Ų61.719%0.1934%0.34CS..EExtended strand (participates in β ladder)trans-84.1137166.8-59.7174.1000108.5Y111 Q113 L160 R161 P163Y111-I188 HydrophobicContact CD1-CD1 4.14Å; Y111-I188 HydrophobicContact CD1-CG2 3.4Å; Y111-I188 VanDerWaalsContact CD1-CG2 3.4Å; Y111-I188 HydrophobicContact CD2-CD1 4.33Å; Y111-I188 HydrophobicContact CE1-CD1 4.28Å; Y111-I188 HydrophobicContact CE1-CG2 4.01Å; Y111-I188 HydrophobicContact CE2-CD1 4.48Å; Y111-I188 HydrophobicContact CG-CD1 4.17Å; Y111-I188 HydrophobicContact CG-CG1 4.46Å; Y111-I188 HydrophobicContact CG-CG2 4.05Å; Q113-I188 HydrophobicContact CG-CG1 4.24Å; L160-I188 WeakPolarHBondContact CA-O 3.47Å; R161-I188 PolarHBondContact N-O 2.72Å; R161-I188 VanDerWaalsContact N-O 3.13Å; R161-I188 PolarHBondContact O-N 2.77Å; P163-I188 HydrophobicContact CG-CD1 3.91Å
189L98.6Very high95.1Very high25 Ų2564.3 Ų64.313%0.13133%0.334CS..EExtended strand (participates in β ladder)trans-109.5-47.7177.5174.566.6000112.1H112 V114 I159 L160 V217 L218 L221H112-L189 PolarHBondContact O-N 3.22Å; V114-L189 HydrophobicContact CG2-CB 4.04Å; V114-L189 HydrophobicContact CG2-CD2 4.01Å; I159-L189 HydrophobicContact CB-CD1 4.31Å; I159-L189 HydrophobicContact CD1-CD1 4.45Å; I159-L189 WeakPolarHBondContact O-CD1 3.5Å; L160-L189 HydrophobicContact CD2-CB 3.84Å; L160-L189 HydrophobicContact CD2-CD1 3.9Å; L160-L189 HydrophobicContact CD2-CG 4.46Å; L189-V217 HydrophobicContact CD2-CB 4.2Å; L189-V217 HydrophobicContact CD2-CG1 4.28Å; L189-V217 HydrophobicContact CG-CG1 4.42Å; L189-L218 HydrophobicContact CD2-CB 3.74Å; L189-L218 HydrophobicContact CD2-CD1 4.49Å; L189-L221 HydrophobicContact CD1-CD1 4.29Å
190A98Very high93.2Very high22 Ų2265.6 Ų65.618%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-156.3176.7-17400000110.6H112 V217H112-A190 HydrophobicContact CB-CB 4.35Å; H112-A190 PolarHBondContact N-O 2.96Å; H112-A190 PolarHBondContact O-N 3.14Å; A190-V217 HydrophobicContact CB-CG1 4.03Å; A190-V217 HydrophobicContact CB-CG2 4.4Å
191T97.9Very high90.7Very high50 Ų5068.4 Ų68.431%0.30737%0.371SS..EExtended strand (participates in β ladder)trans-108.3149.2168.663.70000110G110 Y111 V193 Q194 E195G110-T191 CarbonylContact O-C 3.42Å; G110-T191 WeakPolarHBondContact O-CA 3.11Å; Y111-T191 HydrophobicContact CD1-CG2 3.78Å; Y111-T191 HydrophobicContact CE1-CG2 3.66Å; T191-V193 VanDerWaalsContact C-N 3.25Å; T191-V193 PolarHBondContact O-N 2.88Å; T191-Q194 PolarHBondContact O-N 2.83Å; T191-Q194 VanDerWaalsContact OG1-CB 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.34Å; T191-Q194 PolarHBondContact OG1-N 3.44Å; T191-Q194 VanDerWaalsContact OG1-N 3.17Å; T191-E195 PolarHBondContact O-N 3.45Å; T191-E195 VanDerWaalsContact O-N 3.1Å
192A95.3Very high88.3Confident25 Ų2571 Ų7121%0.20739%0.39CS..Hα-helixtrans-60-39.5174.600000111.5G110 H112 Q194 E195 E196G110-A192 PolarHBondContact O-N 3.39Å; H112-A192 WeakPolarHBondContact NE2-CA 3.42Å; A192-Q194 VanDerWaalsContact C-N 3.35Å; A192-Q194 PolarHBondContact O-N 2.93Å; A192-E195 PolarHBondContact O-N 3Å; A192-E196 WeakPolarHBondContact O-CG 3.4Å; A192-E196 PolarHBondContact O-N 3.32Å
193V95.9Very high85.6Confident93 Ų9376.4 Ų76.456%0.56442%0.415SS*.Hα-helixtrans-58.4-46.6176.8177.90000111T191 E196 L197T191-V193 VanDerWaalsContact C-N 3.25Å; T191-V193 PolarHBondContact O-N 2.88Å; V193-E196 PolarHBondContact O-N 2.98Å; V193-L197 HydrophobicContact CG1-CD1 4Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.48Å; V193-L197 PolarHBondContact O-N 3.17Å
194Q94.4Very high82.7Confident88 Ų8877.6 Ų77.641%0.41143%0.429SS..Hα-helixtrans-67.8-39.5-179.8-171.56323.800111.6T191 A192 E196 L197 E198T191-Q194 PolarHBondContact O-N 2.83Å; T191-Q194 VanDerWaalsContact OG1-CB 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.34Å; T191-Q194 PolarHBondContact OG1-N 3.44Å; T191-Q194 VanDerWaalsContact OG1-N 3.17Å; A192-Q194 VanDerWaalsContact C-N 3.35Å; A192-Q194 PolarHBondContact O-N 2.93Å; Q194-E196 VanDerWaalsContact C-N 3.34Å; Q194-E196 PolarHBondContact O-N 2.84Å; Q194-L197 PolarHBondContact O-N 3.05Å; Q194-E198 HydrophobicContact CG-CG 4.47Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.14Å; Q194-E198 PolarHBondContact NE2-OE1 3.3Å; Q194-E198 WeakPolarHBondContact O-CB 3.36Å; Q194-E198 WeakPolarHBondContact O-CG 3.33Å; Q194-E198 PolarHBondContact O-N 3.46Å
195E92.3Very high80.1Confident24 Ų2475.3 Ų75.311%0.11243%0.434CS..Hα-helixtrans-61.4-42.8176.2-171.4-175.3-142.700111.7H112 T191 A192 E198 K199 S216 V217H112-E195 IonicContact CD2-OE2 3.78Å; H112-E195 IonicContact NE2-OE2 2.82Å; H112-E195 PolarHBondContact NE2-OE2 2.61Å; T191-E195 PolarHBondContact O-N 3.45Å; T191-E195 VanDerWaalsContact O-N 3.1Å; A192-E195 PolarHBondContact O-N 3Å; E195-E198 PolarHBondContact O-N 3.4Å; E195-K199 HydrophobicContact CG-CD 3.94Å; E195-K199 VanDerWaalsContact CG-CE 3.45Å; E195-K199 HydrophobicContact CG-CG 4.34Å; E195-K199 WeakPolarHBondContact O-CB 3.25Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 PolarHBondContact O-N 2.8Å; E195-K199 WeakPolarHBondContact OE1-CE 3.24Å; E195-K199 IonicContact OE1-NZ 3.15Å; E195-K199 PolarHBondContact OE1-NZ 3.1Å; E195-K199 IonicContact OE2-NZ 2.83Å; E195-K199 PolarHBondContact OE2-NZ 2.8Å; E195-S216 PolarHBondContact OE1-OG 2.92Å; E195-V217 HydrophobicContact CB-CG2 4.05Å; E195-V217 VanDerWaalsContact CD-CG2 3.47Å; E195-V217 HydrophobicContact CG-CG2 3.65Å; E195-V217 WeakPolarHBondContact OE1-CG2 3Å
196E89.8Confident77.3Confident145 Ų14581.8 Ų81.868%0.67848%0.476SS*.Hα-helixtrans-64.7-40.7176.9-74.3176.5-174.500112.4A192 V193 Q194 E198A192-E196 WeakPolarHBondContact O-CG 3.4Å; A192-E196 PolarHBondContact O-N 3.32Å; V193-E196 PolarHBondContact O-N 2.98Å; Q194-E196 VanDerWaalsContact C-N 3.34Å; Q194-E196 PolarHBondContact O-N 2.84Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E196-E198 PolarHBondContact O-N 3.38Å
197L90.8Very high74.5Confident126 Ų12689.8 Ų89.866%0.6652%0.517SS*.Hα-helixtrans-64.9-36.5176.5-71.2171.3000112.3V193 Q194V193-L197 HydrophobicContact CG1-CD1 4Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.48Å; V193-L197 PolarHBondContact O-N 3.17Å; Q194-L197 PolarHBondContact O-N 3.05Å
198E84.9Confident71.9Confident136 Ų13692.5 Ų92.564%0.63655%0.546SS*.Hα-helixtrans-80.8-29.2-179-73.8177.2-173.100113.6Q194 E195 E196 G200Q194-E198 HydrophobicContact CG-CG 4.47Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.14Å; Q194-E198 PolarHBondContact NE2-OE1 3.3Å; Q194-E198 WeakPolarHBondContact O-CB 3.36Å; Q194-E198 WeakPolarHBondContact O-CG 3.33Å; Q194-E198 PolarHBondContact O-N 3.46Å; E195-E198 PolarHBondContact O-N 3.4Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E196-E198 PolarHBondContact O-N 3.38Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 2.86Å
199K72.7Confident69.2Low118 Ų11895.6 Ų95.651%0.51358%0.577SS.*Hα-helixtrans-68.7-24.4-177.3-84.5176.1178.6167.90114.1E195 S216E195-K199 HydrophobicContact CG-CD 3.94Å; E195-K199 VanDerWaalsContact CG-CE 3.45Å; E195-K199 HydrophobicContact CG-CG 4.34Å; E195-K199 WeakPolarHBondContact O-CB 3.25Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 PolarHBondContact O-N 2.8Å; E195-K199 WeakPolarHBondContact OE1-CE 3.24Å; E195-K199 IonicContact OE1-NZ 3.15Å; E195-K199 PolarHBondContact OE1-NZ 3.1Å; E195-K199 IonicContact OE2-NZ 2.83Å; E195-K199 PolarHBondContact OE2-NZ 2.8Å; K199-S216 PolarHBondContact NZ-OG 3.25Å
200G58.5Low67.2Low52 Ų5299.7 Ų99.754%0.53660%0.603SS.*  trans56.1-176.6-169.900000112.6E198E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 2.86Å
201T46.7Very low65.7Low138 Ų138101.3 Ų101.385%0.84761%0.609SS**SBendtrans-62.4128.8173.5-1.80000109E203T201-E203 PolarHBondContact O-N 2.93Å
202P48.3Very low65Low120 Ų120105.5 Ų105.578%0.77963%0.625SS**PPolyproline II helixtrans-68.9119-170.323.7-30.6000111.5
203E41.8Very low64.9Low182 Ų182110.4 Ų110.485%0.8564%0.638SS**PPolyproline II helixtrans-70.7129.4160.4-78-108.8150.400108.6T201 G205T201-E203 PolarHBondContact O-N 2.93Å; E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.96Å
204P36.8Very low64.9Low130 Ų130107.6 Ų107.684%0.84462%0.618SS**  trans-7387-179.228.8-31.9000110.3
205G44.9Very low64.9Low55 Ų55103.7 Ų103.757%0.56760%0.6SS**  trans-69.4158.5166.400000111.7E203 L207E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.96Å; G205-L207 PolarHBondContact O-N 3.02Å
206P39.1Very low64.9Low136 Ų136105.3 Ų105.388%0.88361%0.614SS**  trans-59.6128-177.4-1020.7000110.3G208P206-G208 PolarHBondContact O-N 3Å
207L40.6Very low65.1Low180 Ų18099.6 Ų99.694%0.94259%0.589SS**  trans-59.777.1173.9-76.6148.7000111G205G205-L207 PolarHBondContact O-N 3.02Å
208G43.6Very low65.2Low60 Ų6093.8 Ų93.862%0.61956%0.559SS**  trans-77.7126.8153.300000107.2P206 T210P206-G208 PolarHBondContact O-N 3Å; G208-T210 PolarHBondContact O-N 3.1Å
209A42.7Very low65.6Low102 Ų10291 Ų9184%0.84355%0.546SS*.  trans-36.4110-177.400000111D211A209-D211 PolarHBondContact O-N 3.06Å
210T56.1Low66.5Low112 Ų11289.8 Ų89.869%0.68755%0.553SS**  trans-53.6112.8178.538.20000107.4G208 E212G208-T210 PolarHBondContact O-N 3.1Å; T210-E212 VanDerWaalsContact C-N 3.28Å; T210-E212 WeakPolarHBondContact O-CG 3.41Å; T210-E212 PolarHBondContact O-N 2.55Å
211D66.3Low68Low56 Ų5689.4 Ų89.430%0.29954%0.538SS..  trans-68.991.4179.9-172-8000108.6A209 R213A209-D211 PolarHBondContact O-N 3.06Å; D211-R213 PolarHBondContact O-N 2.91Å; D211-R213 VanDerWaalsContact O-N 3.1Å; D211-R213 WeakPolarHBondContact OD1-CB 3.45Å; D211-R213 WeakPolarHBondContact OD1-CG 3.25Å; D211-R213 IonicContact OD1-CZ 3.15Å; D211-R213 PolarHBondContact OD1-N 3.12Å; D211-R213 IonicContact OD1-NE 2.67Å; D211-R213 PolarHBondContact OD1-NE 2.87Å; D211-R213 IonicContact OD1-NH2 2.78Å; D211-R213 IonicContact OD2-CZ 3.24Å; D211-R213 IonicContact OD2-NE 2.84Å; D211-R213 PolarHBondContact OD2-NE 2.84Å; D211-R213 IonicContact OD2-NH2 3.51Å; D211-R213 PolarHBondContact OD2-NH2 2.84Å
212E83.6Confident69.9Low137 Ų13787.6 Ų87.664%0.6452%0.523SS*.THydrogen-bonded Turntrans-69.6-4.8-178.4-62.2-169.5157.700113.1R105 T210 H214R105-E212 WeakPolarHBondContact CD-O 3.09Å; T210-E212 VanDerWaalsContact C-N 3.28Å; T210-E212 WeakPolarHBondContact O-CG 3.41Å; T210-E212 PolarHBondContact O-N 2.55Å; E212-H214 VanDerWaalsContact C-N 3.28Å; E212-H214 PolarHBondContact O-N 2.82Å
213R93.5Very high71Confident129 Ų12986 Ų8649%0.48751%0.511SS..THydrogen-bonded Turntrans-71.4-25.9-179-58.6178.6-71.1-172.60.3112.3K103 S104 R105 D211K103-R213 CarbonylContact C-O 3.53Å; K103-R213 WeakPolarHBondContact CA-O 3.4Å; K103-R213 HydrophobicContact CB-CB 4.41Å; K103-R213 HydrophobicContact CD-CG 4.37Å; K103-R213 HydrophobicContact CG-CB 4.07Å; K103-R213 HydrophobicContact CG-CG 3.91Å; S104-R213 PolarHBondContact N-O 3.12Å; R105-R213 WeakPolarHBondContact CB-O 3.41Å; R105-R213 PolarHBondContact N-O 3.19Å; D211-R213 PolarHBondContact O-N 2.91Å; D211-R213 VanDerWaalsContact O-N 3.1Å; D211-R213 WeakPolarHBondContact OD1-CB 3.45Å; D211-R213 WeakPolarHBondContact OD1-CG 3.25Å; D211-R213 IonicContact OD1-CZ 3.15Å; D211-R213 PolarHBondContact OD1-N 3.12Å; D211-R213 IonicContact OD1-NE 2.67Å; D211-R213 PolarHBondContact OD1-NE 2.87Å; D211-R213 IonicContact OD1-NH2 2.78Å; D211-R213 IonicContact OD2-CZ 3.24Å; D211-R213 IonicContact OD2-NE 2.84Å; D211-R213 PolarHBondContact OD2-NE 2.84Å; D211-R213 IonicContact OD2-NH2 3.51Å; D211-R213 PolarHBondContact OD2-NH2 2.84Å
214H95.7Very high72.5Confident33 Ų3380.9 Ų80.915%0.15349%0.493CS..SBendtrans-133.8155.8-176.9-56.9-64.8000110.3K101 R102 S104 E212 L218 M219K101-H214 PolarHBondContact O-CE1 3.23Å; R102-H214 PolarHBondContact O-CE1 2.6Å; R102-H214 PolarHBondContact O-NE2 3.36Å; S104-H214 PolarHBondContact OG-ND1 3.13Å; E212-H214 VanDerWaalsContact C-N 3.28Å; E212-H214 PolarHBondContact O-N 2.82Å; H214-L218 HydrophobicContact CB-CD2 4.38Å; H214-M219 HydrophobicContact CB-CG 4.02Å; H214-M219 HydrophobicContact CB-SD 3.76Å
215H94.6Very high74.5Confident6 Ų678.2 Ų78.23%0.02847%0.473CS..  trans-70.2144.8171.9-78.7-59.8000110.8R106 S107 H112 Q113 V217 L218 M219R106-H215 PolarHBondContact O-NE2 3.05Å; S107-H215 PolarHBondContact OG-CE1 2.88Å; S107-H215 PolarHBondContact OG-NE2 2.86Å; H112-H215 AromaticContact CG-CE1 3.95Å; H112-H215 AromaticContact ND1-CE1 3.52Å; H112-H215 AromaticContact ND1-ND1 3.98Å; H112-H215 AromaticContact ND1-NE2 3.87Å; Q113-H215 PolarHBondContact O-CD2 2.89Å; H215-V217 VanDerWaalsContact C-N 3.25Å; H215-V217 PolarHBondContact O-N 2.6Å; H215-L218 WeakPolarHBondContact O-CB 3.41Å; H215-L218 PolarHBondContact O-N 3.2Å; H215-M219 PolarHBondContact O-N 2.94Å
216S92.2Very high76.3Confident58 Ų5879.6 Ų79.641%0.40647%0.468SS..Hα-helixtrans-56.2-39.5176.926.50000112.5E195 K199 L218 M219 S220E195-S216 PolarHBondContact OE1-OG 2.92Å; K199-S216 PolarHBondContact NZ-OG 3.25Å; S216-L218 PolarHBondContact O-N 2.85Å; S216-M219 PolarHBondContact O-N 2.95Å; S216-M219 VanDerWaalsContact O-N 3.09Å; S216-S220 PolarHBondContact O-N 3.12Å
217V93.3Very high78.6Confident26 Ų2676.1 Ų76.116%0.15844%0.442CS..Hα-helixtrans-58-34.5174.8-170.40000112.5L189 A190 E195 H215 S220 L221L189-V217 HydrophobicContact CD2-CB 4.2Å; L189-V217 HydrophobicContact CD2-CG1 4.28Å; L189-V217 HydrophobicContact CG-CG1 4.42Å; A190-V217 HydrophobicContact CB-CG1 4.03Å; A190-V217 HydrophobicContact CB-CG2 4.4Å; E195-V217 HydrophobicContact CB-CG2 4.05Å; E195-V217 VanDerWaalsContact CD-CG2 3.47Å; E195-V217 HydrophobicContact CG-CG2 3.65Å; E195-V217 WeakPolarHBondContact OE1-CG2 3Å; H215-V217 VanDerWaalsContact C-N 3.25Å; H215-V217 PolarHBondContact O-N 2.6Å; V217-S220 PolarHBondContact O-OG 3.38Å; V217-S220 VanDerWaalsContact O-OG 3.07Å; V217-L221 WeakPolarHBondContact O-CD1 3.19Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å
218L94.4Very high81.1Confident4 Ų469.1 Ų69.12%0.02141%0.408CS..Hα-helixtrans-72.7-43.4175.8178.658.1000110.5V114 L134 L189 H214 H215 S216 S220 L221 L222V114-L218 HydrophobicContact CG1-CD2 4.18Å; V114-L218 HydrophobicContact CG2-CD2 4.12Å; L134-L218 HydrophobicContact CD1-CD1 3.42Å; L134-L218 VanDerWaalsContact CD1-CD1 3.42Å; L189-L218 HydrophobicContact CD2-CB 3.74Å; L189-L218 HydrophobicContact CD2-CD1 4.49Å; H214-L218 HydrophobicContact CB-CD2 4.38Å; H215-L218 WeakPolarHBondContact O-CB 3.41Å; H215-L218 PolarHBondContact O-N 3.2Å; S216-L218 PolarHBondContact O-N 2.85Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å; L218-L221 WeakPolarHBondContact O-CB 3.49Å; L218-L221 PolarHBondContact O-N 3.28Å; L218-L222 HydrophobicContact CG-CD1 4.44Å
219M92.9Very high83.8Confident76 Ų7669.8 Ų69.837%0.37439%0.393SS..Hα-helixtrans-67.3-30.8-177.2-64.5-53.4-57.600112.9H214 H215 S216 L221 L222H214-M219 HydrophobicContact CB-CG 4.02Å; H214-M219 HydrophobicContact CB-SD 3.76Å; H215-M219 PolarHBondContact O-N 2.94Å; S216-M219 PolarHBondContact O-N 2.95Å; S216-M219 VanDerWaalsContact O-N 3.09Å; M219-L221 PolarHBondContact O-N 3.04Å; M219-L222 PolarHBondContact O-N 3.25Å; M219-L222 HydrophobicContact SD-CD1 4.47Å
220S91.6Very high87Confident93 Ų9367.3 Ų67.365%0.6536%0.359SS*.THydrogen-bonded Turntrans-69.9-10.617663.80000113.9S216 V217 L218S216-S220 PolarHBondContact O-N 3.12Å; V217-S220 PolarHBondContact O-OG 3.38Å; V217-S220 VanDerWaalsContact O-OG 3.07Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å
221L90.1Very high89.6Confident44 Ų4463.6 Ų63.623%0.2333%0.331CS..THydrogen-bonded Turntrans-97.4-7.8178.3-58.5171.3000113.8I155 I159 L189 V217 L218 M219I155-L221 HydrophobicContact CD1-CB 3.62Å; I155-L221 HydrophobicContact CD1-CD1 4.29Å; I159-L221 HydrophobicContact CD1-CD1 4.11Å; L189-L221 HydrophobicContact CD1-CD1 4.29Å; V217-L221 WeakPolarHBondContact O-CD1 3.19Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å; L218-L221 WeakPolarHBondContact O-CB 3.49Å; L218-L221 PolarHBondContact O-N 3.28Å; M219-L221 PolarHBondContact O-N 3.04Å
222L86.6Confident91.7Very high101 Ų10164.3 Ų64.353%0.52933%0.334SS..  trans-112.30-173.1-60.9179.8000111.8V153 I155 L218 M219V153-L222 HydrophobicContact CG1-CD2 3.85Å; I155-L222 HydrophobicContact CD1-CD2 4.43Å; L218-L222 HydrophobicContact CG-CD1 4.44Å; M219-L222 PolarHBondContact O-N 3.25Å; M219-L222 HydrophobicContact SD-CD1 4.47Å

Retrieved 222 of 222 residues in 100.6 ms (Link to these results)

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