A0A087XPM5_POEFO Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A087XPM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 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
1M32.9Very low73.2Confident241 Ų241102.7 Ų102.7100%1.18755%0.545SS*.  0117.10-64.6-180-139.600106.9G3M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.37Å
2T31.2Very low74.8Confident125 Ų12597.7 Ų97.777%0.76752%0.519SS*.  trans-70.888.717846.10000108.2H4T2-H4 PolarHBondContact O-N 3.02Å
3G44.1Very low76.5Confident71 Ų7190.3 Ų90.373%0.73248%0.48SS*.  trans-61.5109.6177.900000109.1M1 H5M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.37Å; G3-H5 PolarHBondContact O-N 3.42Å; G3-H5 VanDerWaalsContact O-N 3.08Å
4H59.4Low77.9Confident107 Ų10786.1 Ų86.150%0.49546%0.46SS..  trans-61.7107.9176.6-76.9-59.5000109.3T2 Q20 Y21T2-H4 PolarHBondContact O-N 3.02Å; H4-Q20 PolarHBondContact ND1-OE1 3.21Å; H4-Q20 VanDerWaalsContact ND1-OE1 3.13Å; H4-Y21 WeakPolarHBondContact CB-OH 3.38Å
5H82.3Confident79.2Confident125 Ų12586.7 Ų86.758%0.57947%0.474SS*.  trans-77.8123.7-177.8-170.3-72.8000109.7G3 D12G3-H5 PolarHBondContact O-N 3.42Å; G3-H5 VanDerWaalsContact O-N 3.08Å; H5-D12 IonicContact CE1-OD2 3.51Å; H5-D12 PolarHBondContact CE1-OD2 3.42Å; H5-D12 IonicContact ND1-OD2 3.88Å; H5-D12 PolarHBondContact ND1-OD2 2.97Å
6W94.1Very high80.2Confident31 Ų3182 Ų8212%0.11745%0.45CS..  trans-130.7158.517168.2-90.4000108.9Y8 W17 H65 T201 P202W6-Y8 HydrophobicContact CH2-CE2 4.38Å; W6-Y8 HydrophobicContact CZ3-CD2 4.49Å; W6-Y8 AromaticContact CZ3-CE2 3.74Å; W6-Y8 HydrophobicContact CZ3-CE2 3.74Å; W6-Y8 AromaticContact CZ3-CZ 3.78Å; W6-W17 AromaticContact CE3-CE2 3.69Å; W6-W17 HydrophobicContact CE3-CH2 4.24Å; W6-W17 AromaticContact CE3-CZ2 3.41Å; W6-W17 HydrophobicContact CE3-CZ2 3.41Å; W6-W17 VanDerWaalsContact CE3-CZ2 3.41Å; W6-W17 AromaticContact CE3-NE1 3.85Å; W6-W17 HydrophobicContact CZ3-CH2 4.06Å; W6-W17 AromaticContact CZ3-CZ2 3.59Å; W6-W17 HydrophobicContact CZ3-CZ2 3.59Å; W6-H65 AromaticContact CE2-CE1 3.93Å; W6-H65 HydrophobicContact CH2-CB 3.83Å; W6-H65 AromaticContact CH2-CG 3.54Å; W6-H65 AromaticContact CH2-ND1 3.58Å; W6-H65 HydrophobicContact CZ2-CB 4.35Å; W6-H65 AromaticContact CZ2-CD2 3.78Å; W6-H65 AromaticContact CZ2-CE1 3.97Å; W6-H65 AromaticContact CZ2-CG 3.72Å; W6-H65 AromaticContact CZ2-ND1 3.83Å; W6-H65 AromaticContact CZ2-NE2 3.96Å; W6-H65 AromaticContact CZ3-ND1 3.72Å; W6-H65 PolarHBondContact O-CE1 2.83Å; W6-T201 HydrophobicContact CH2-CG2 3.53Å; W6-T201 HydrophobicContact CZ2-CG2 4.31Å; W6-T201 HydrophobicContact CZ3-CG2 4.15Å; W6-P202 HydrophobicContact CB-CG 4.09Å; W6-P202 HydrophobicContact CD2-CB 4.12Å; W6-P202 HydrophobicContact CD2-CG 3.6Å; W6-P202 HydrophobicContact CE3-CG 4.06Å; W6-P202 HydrophobicContact CG-CB 3.94Å; W6-P202 HydrophobicContact CG-CG 3.59Å
7G94.6Very high81.2Confident8 Ų877.6 Ų77.68%0.08243%0.425CS..  trans-160.2-154.1178.500000111D12 G13 W17G7-D12 CarbonylContact C-O 3.34Å; G7-D12 PolarHBondContact N-O 3.26Å; G7-G13 VanDerWaalsContact O-CA 3.32Å; G7-G13 WeakPolarHBondContact O-CA 3.27Å; G7-W17 WeakPolarHBondContact O-CZ2 3.19Å; G7-W17 PolarHBondContact O-NE1 2.76Å
8Y95.2Very high82Confident36 Ų3676.7 Ų76.714%0.14142%0.418CS..SBendtrans-120.813.6175.4-61.5-84.2000111.8W6 P14 W17 T201 F232 N246W6-Y8 HydrophobicContact CH2-CE2 4.38Å; W6-Y8 HydrophobicContact CZ3-CD2 4.49Å; W6-Y8 AromaticContact CZ3-CE2 3.74Å; W6-Y8 HydrophobicContact CZ3-CE2 3.74Å; W6-Y8 AromaticContact CZ3-CZ 3.78Å; Y8-P14 HydrophobicContact CD1-CG 4.12Å; Y8-P14 HydrophobicContact CE1-CG 4.42Å; Y8-W17 HydrophobicContact CD1-CH2 4.5Å; Y8-W17 HydrophobicContact CD1-CZ2 4.19Å; Y8-W17 AromaticContact CE1-CH2 3.76Å; Y8-W17 HydrophobicContact CE1-CH2 3.76Å; Y8-W17 AromaticContact CE1-CZ2 3.81Å; Y8-W17 HydrophobicContact CE1-CZ2 3.81Å; Y8-T201 WeakPolarHBondContact OH-CG2 3.35Å; Y8-F232 AromaticContact CD2-CE1 3.83Å; Y8-F232 HydrophobicContact CD2-CE1 3.83Å; Y8-F232 AromaticContact CD2-CZ 3.9Å; Y8-F232 HydrophobicContact CD2-CZ 3.9Å; Y8-F232 HydrophobicContact CE2-CE1 4.42Å; Y8-F232 HydrophobicContact CG-CZ 4.5Å; Y8-N246 HydrophobicContact CD2-CB 3.95Å; Y8-N246 HydrophobicContact CE2-CB 3.76Å; Y8-N246 VanDerWaalsContact CZ-C 3.43Å; Y8-N246 PolarHBondContact OH-O 2.99Å; Y8-N246 VanDerWaalsContact OH-O 3.13Å
9G91.4Very high82.7Confident28 Ų2882.1 Ų82.129%0.28943%0.431SS..SBendtrans-7817817700000112.6E11 D12 G13G9-E11 VanDerWaalsContact C-N 3.31Å; G9-E11 PolarHBondContact O-N 3.34Å; G9-D12 WeakPolarHBondContact CA-OD1 3.45Å; G9-D12 PolarHBondContact N-OD1 2.89Å; G9-G13 WeakPolarHBondContact O-CA 3.45Å; G9-G13 PolarHBondContact O-N 3.39Å
10K88.6Confident83.3Confident200 Ų20082.6 Ų82.687%0.8743%0.431SS*.THydrogen-bonded Turntrans-62.7-36.2-178.3-64.9-172.6179.2-176.70113.4
11E91.3Very high83.9Confident158 Ų15880.7 Ų80.774%0.73842%0.419SS*.THydrogen-bonded Turntrans-96-27.2-173.1-58.8-56.3152.100113.5G9 A16G9-E11 VanDerWaalsContact C-N 3.31Å; G9-E11 PolarHBondContact O-N 3.34Å; E11-A16 WeakPolarHBondContact O-CB 3.43Å
12D93.1Very high86.9Confident42 Ų4274 Ų7423%0.22539%0.393CS..THydrogen-bonded Turntrans-118.48.8-173.764.8-10.7000113.5H5 G7 G9 W17H5-D12 IonicContact CE1-OD2 3.51Å; H5-D12 PolarHBondContact CE1-OD2 3.42Å; H5-D12 IonicContact ND1-OD2 3.88Å; H5-D12 PolarHBondContact ND1-OD2 2.97Å; G7-D12 CarbonylContact C-O 3.34Å; G7-D12 PolarHBondContact N-O 3.26Å; G9-D12 WeakPolarHBondContact CA-OD1 3.45Å; G9-D12 PolarHBondContact N-OD1 2.89Å; D12-W17 VanDerWaalsContact O-CD1 3.28Å; D12-W17 PolarHBondContact O-NE1 3.05Å
13G96Very high90Very high2 Ų270.4 Ų70.42%0.02137%0.371CS..SBendtrans-74.8178.6-178.300000115.8G7 G9 S15 A16 W17G7-G13 VanDerWaalsContact O-CA 3.32Å; G7-G13 WeakPolarHBondContact O-CA 3.27Å; G9-G13 WeakPolarHBondContact O-CA 3.45Å; G9-G13 PolarHBondContact O-N 3.39Å; G13-S15 PolarHBondContact O-N 3.19Å; G13-A16 PolarHBondContact O-N 3.3Å; G13-W17 VanDerWaalsContact C-NE1 3.26Å; G13-W17 PolarHBondContact O-N 2.75Å; G13-W17 PolarHBondContact O-NE1 3.15Å
14P96.9Very high92.5Very high31 Ų3167.3 Ų67.320%0.20134%0.339CS..THydrogen-bonded Turntrans-48.2-36.4-177.7-3336.1000116.1Y8 A16 W17 R248Y8-P14 HydrophobicContact CD1-CG 4.12Å; Y8-P14 HydrophobicContact CE1-CG 4.42Å; P14-A16 PolarHBondContact O-N 3.17Å; P14-W17 HydrophobicContact CB-CD2 4.39Å; P14-W17 HydrophobicContact CB-CE3 4.31Å; P14-W17 HydrophobicContact CB-CH2 4.41Å; P14-W17 HydrophobicContact CB-CZ2 4.43Å; P14-W17 HydrophobicContact CB-CZ3 4.32Å; P14-W17 HydrophobicContact CG-CH2 3.87Å; P14-W17 HydrophobicContact CG-CZ2 3.78Å; P14-W17 HydrophobicContact CG-CZ3 4.26Å; P14-W17 PolarHBondContact O-N 3.1Å; P14-R248 HydrophobicContact CB-CG 4.09Å; P14-R248 HydrophobicContact CG-CG 4.33Å
15S96.3Very high94.3Very high96 Ų9669 Ų6967%0.67134%0.344SS*.THydrogen-bonded Turntrans-64.9-24.7178.7620000113G13 H18G13-S15 PolarHBondContact O-N 3.19Å; S15-H18 PolarHBondContact O-CE1 3.13Å; S15-H18 PolarHBondContact O-ND1 3.39Å
16A96.3Very high95Very high11 Ų1163.9 Ų63.99%0.09133%0.326CS..THydrogen-bonded Turntrans-99.7-17.2-177.700000113.8E11 G13 P14 H18 R19E11-A16 WeakPolarHBondContact O-CB 3.43Å; G13-A16 PolarHBondContact O-N 3.3Å; P14-A16 PolarHBondContact O-N 3.17Å; A16-H18 PolarHBondContact O-N 3.33Å; A16-H18 VanDerWaalsContact O-N 3.08Å; A16-R19 WeakPolarHBondContact O-CB 3.44Å; A16-R19 WeakPolarHBondContact O-CG 3.09Å; A16-R19 PolarHBondContact O-N 3.06Å
17W97.1Very high95.2Very high7 Ų767.6 Ų67.63%0.02735%0.348CS..G310 helixtrans-54.7-35.1-174.1-66.9-7.8000113.5W6 G7 Y8 D12 G13 P14 R19 Q20 Y21 T200 P202 L204 R248W6-W17 AromaticContact CE3-CE2 3.69Å; W6-W17 HydrophobicContact CE3-CH2 4.24Å; W6-W17 AromaticContact CE3-CZ2 3.41Å; W6-W17 HydrophobicContact CE3-CZ2 3.41Å; W6-W17 VanDerWaalsContact CE3-CZ2 3.41Å; W6-W17 AromaticContact CE3-NE1 3.85Å; W6-W17 HydrophobicContact CZ3-CH2 4.06Å; W6-W17 AromaticContact CZ3-CZ2 3.59Å; W6-W17 HydrophobicContact CZ3-CZ2 3.59Å; G7-W17 WeakPolarHBondContact O-CZ2 3.19Å; G7-W17 PolarHBondContact O-NE1 2.76Å; Y8-W17 HydrophobicContact CD1-CH2 4.5Å; Y8-W17 HydrophobicContact CD1-CZ2 4.19Å; Y8-W17 AromaticContact CE1-CH2 3.76Å; Y8-W17 HydrophobicContact CE1-CH2 3.76Å; Y8-W17 AromaticContact CE1-CZ2 3.81Å; Y8-W17 HydrophobicContact CE1-CZ2 3.81Å; D12-W17 VanDerWaalsContact O-CD1 3.28Å; D12-W17 PolarHBondContact O-NE1 3.05Å; G13-W17 VanDerWaalsContact C-NE1 3.26Å; G13-W17 PolarHBondContact O-N 2.75Å; G13-W17 PolarHBondContact O-NE1 3.15Å; P14-W17 HydrophobicContact CB-CD2 4.39Å; P14-W17 HydrophobicContact CB-CE3 4.31Å; P14-W17 HydrophobicContact CB-CH2 4.41Å; P14-W17 HydrophobicContact CB-CZ2 4.43Å; P14-W17 HydrophobicContact CB-CZ3 4.32Å; P14-W17 HydrophobicContact CG-CH2 3.87Å; P14-W17 HydrophobicContact CG-CZ2 3.78Å; P14-W17 HydrophobicContact CG-CZ3 4.26Å; P14-W17 PolarHBondContact O-N 3.1Å; W17-R19 PolarHBondContact O-N 2.8Å; W17-Q20 PolarHBondContact O-N 2.87Å; W17-Q20 VanDerWaalsContact O-N 3.09Å; W17-Y21 WeakPolarHBondContact O-CD2 3.33Å; W17-Y21 PolarHBondContact O-N 3.33Å; W17-T200 WeakPolarHBondContact CZ3-O 3.23Å; W17-P202 HydrophobicContact CB-CG 4.48Å; W17-P202 HydrophobicContact CD2-CG 3.74Å; W17-P202 HydrophobicContact CE3-CG 4Å; W17-P202 HydrophobicContact CG-CG 3.99Å; W17-L204 HydrophobicContact CB-CD1 4.36Å; W17-L204 HydrophobicContact CE3-CD1 3.96Å; W17-L204 HydrophobicContact CE3-CD2 3.98Å; W17-L204 HydrophobicContact CE3-CG 4.46Å; W17-L204 HydrophobicContact CZ3-CD2 3.97Å; W17-R248 HydrophobicContact CH2-CB 4.36Å; W17-R248 HydrophobicContact CH2-CG 4.34Å; W17-R248 HydrophobicContact CZ3-CB 4.21Å; W17-R248 HydrophobicContact CZ3-CG 3.79Å
18H95.8Very high95.3Very high61 Ų6170.3 Ų70.328%0.28236%0.356SS..G310 helixtrans-58.7-19.717972.5-91.7000115.1S15 A16 Q20 Y21 A24 K25S15-H18 PolarHBondContact O-CE1 3.13Å; S15-H18 PolarHBondContact O-ND1 3.39Å; A16-H18 PolarHBondContact O-N 3.33Å; A16-H18 VanDerWaalsContact O-N 3.08Å; H18-Q20 VanDerWaalsContact C-N 3.31Å; H18-Y21 WeakPolarHBondContact CA-O 3.34Å; H18-A24 HydrophobicContact CB-CB 3.76Å; H18-K25 HydrophobicContact CB-CD 4.28Å; H18-K25 HydrophobicContact CB-CG 4Å; H18-K25 VanDerWaalsContact CD2-CE 3.44Å; H18-K25 WeakPolarHBondContact CD2-CE 3.29Å; H18-K25 PolarHBondContact CD2-NZ 2.74Å
19R94.9Very high95.5Very high179 Ų17968.8 Ų68.868%0.67535%0.35SS*.G310 helixtrans-67.5-34177.8-63.8175.5-176.6165.41.5112A16 W17A16-R19 WeakPolarHBondContact O-CB 3.44Å; A16-R19 WeakPolarHBondContact O-CG 3.09Å; A16-R19 PolarHBondContact O-N 3.06Å; W17-R19 PolarHBondContact O-N 2.8Å
20Q94Very high95.8Very high93 Ų9367.5 Ų67.544%0.43534%0.336SS..THydrogen-bonded Turntrans-107.6-27.3-179.1-62.7-178.824.900111.8H4 W17 H18 P22H4-Q20 PolarHBondContact ND1-OE1 3.21Å; H4-Q20 VanDerWaalsContact ND1-OE1 3.13Å; W17-Q20 PolarHBondContact O-N 2.87Å; W17-Q20 VanDerWaalsContact O-N 3.09Å; H18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-P22 WeakPolarHBondContact O-CD 3.35Å
21Y95.9Very high96.3Very high42 Ų4258 Ų5817%0.16530%0.295CS..  trans-121.281.2179.2-53.3-82.5000109.2H4 W17 H18 V23 A24 P202 P203H4-Y21 WeakPolarHBondContact CB-OH 3.38Å; W17-Y21 WeakPolarHBondContact O-CD2 3.33Å; W17-Y21 PolarHBondContact O-N 3.33Å; H18-Y21 WeakPolarHBondContact CA-O 3.34Å; Y21-V23 PolarHBondContact O-N 2.81Å; Y21-A24 WeakPolarHBondContact O-CB 3.37Å; Y21-A24 PolarHBondContact O-N 3.36Å; Y21-P202 HydrophobicContact CD1-CB 4.22Å; Y21-P202 HydrophobicContact CD2-CB 3.79Å; Y21-P202 HydrophobicContact CD2-CG 4.01Å; Y21-P202 HydrophobicContact CE1-CB 3.96Å; Y21-P202 HydrophobicContact CE2-CB 3.52Å; Y21-P202 HydrophobicContact CE2-CG 3.97Å; Y21-P202 HydrophobicContact CG-CB 4.13Å; Y21-P203 HydrophobicContact CD1-CB 4.04Å; Y21-P203 HydrophobicContact CE1-CB 4.14Å
22P96.4Very high96.7Very high101 Ų10150.5 Ų50.566%0.65626%0.26SS*.G310 helixtrans-54.4-29-175.7-28.635.9000114.2Q20 A24 K25Q20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-A24 PolarHBondContact O-N 3.01Å; P22-A24 VanDerWaalsContact O-N 3.08Å; P22-K25 PolarHBondContact O-N 2.94Å
23V96.8Very high97Very high49 Ų4950.9 Ų50.930%0.29726%0.262SS..G310 helixtrans-58.7-16.7174690000113.4Y21 K25 G26 Q29 P203 L204 E206Y21-V23 PolarHBondContact O-N 2.81Å; V23-K25 PolarHBondContact O-N 3.43Å; V23-G26 WeakPolarHBondContact O-CA 3.2Å; V23-G26 PolarHBondContact O-N 3.33Å; V23-Q29 WeakPolarHBondContact O-CG 3.43Å; V23-Q29 PolarHBondContact O-NE2 3.17Å; V23-P203 WeakPolarHBondContact CG1-O 3.14Å; V23-L204 HydrophobicContact CG1-CB 4.13Å; V23-E206 HydrophobicContact CG2-CG 4.16Å
24A97Very high97.1Very high7 Ų750.8 Ų50.86%0.05826%0.261CS..G310 helixtrans-55.5-21.4169.500000113.6H18 Y21 P22 L204 R248H18-A24 HydrophobicContact CB-CB 3.76Å; Y21-A24 WeakPolarHBondContact O-CB 3.37Å; Y21-A24 PolarHBondContact O-N 3.36Å; P22-A24 PolarHBondContact O-N 3.01Å; P22-A24 VanDerWaalsContact O-N 3.08Å; A24-L204 HydrophobicContact CB-CD1 3.38Å; A24-R248 PolarHBondContact O-NH2 2.89Å
25K96.6Very high97.2Very high141 Ų14151.9 Ų51.961%0.61327%0.265SS*.G310 helixtrans-100.813.3173-67.8-176.3176.2175.40113.4H18 P22 V23 K254H18-K25 HydrophobicContact CB-CD 4.28Å; H18-K25 HydrophobicContact CB-CG 4Å; H18-K25 VanDerWaalsContact CD2-CE 3.44Å; H18-K25 WeakPolarHBondContact CD2-CE 3.29Å; H18-K25 PolarHBondContact CD2-NZ 2.74Å; P22-K25 PolarHBondContact O-N 2.94Å; V23-K25 PolarHBondContact O-N 3.43Å; K25-K254 PolarHBondContact O-NZ 2.85Å
26G96.7Very high97.2Very high19 Ų1949.8 Ų49.820%0.19625%0.249CC..SBendtrans-62.4175.4-178.400000113.7V23 E206 K254V23-G26 WeakPolarHBondContact O-CA 3.2Å; V23-G26 PolarHBondContact O-N 3.33Å; G26-E206 WeakPolarHBondContact CA-OE1 3.47Å; G26-K254 PolarHBondContact O-NZ 2.8Å
27N97.5Very high97.1Very high108 Ų10857 Ų5758%0.57829%0.286SS*.THydrogen-bonded Turntrans-86.7-13.3-171.1-69.6-29.6000114.2E206 K254N27-E206 PolarHBondContact N-OE1 2.88Å; N27-K254 HydrophobicContact CB-CD 4.24Å; N27-K254 WeakPolarHBondContact O-CD 3.31Å; N27-K254 PolarHBondContact OD1-NZ 2.86Å
28R97.8Very high97.1Very high66 Ų6663 Ų6325%0.24931%0.314CS..THydrogen-bonded Turntrans-134.538.9-174-50.5-174.3-63.8161.47.8111.3G197 S198 E206 R256R28-G197 CarbonylContact O-C 3.58Å; R28-G197 WeakPolarHBondContact O-CA 3.33Å; R28-S198 PolarHBondContact O-N 2.87Å; R28-S198 VanDerWaalsContact O-N 3.15Å; R28-E206 HydrophobicContact CB-CB 4.35Å; R28-E206 HydrophobicContact CB-CG 4.22Å; R28-E206 VanDerWaalsContact N-CD 3.35Å; R28-E206 PolarHBondContact N-OE1 3.21Å; R28-E206 IonicContact NE-OE2 3.92Å; R28-E206 PolarHBondContact NE-OE2 2.94Å; R28-E206 PolarHBondContact NH2-O 3.26Å; R28-R256 HydrophobicContact CG-CG 4.37Å; R28-R256 PolarHBondContact O-NH1 2.9Å
29Q98.8Very high97.1Very high4 Ų460.8 Ų60.82%0.01931%0.307CS..  trans-72148178.5-70.1-70.7-68.800112.2V23 S198 L204 Q251 R256V23-Q29 WeakPolarHBondContact O-CG 3.43Å; V23-Q29 PolarHBondContact O-NE2 3.17Å; Q29-S198 WeakPolarHBondContact CA-OG 3.17Å; Q29-S198 PolarHBondContact NE2-OG 3.02Å; Q29-L204 PolarHBondContact NE2-O 2.91Å; Q29-Q251 HydrophobicContact CB-CB 3.91Å; Q29-Q251 HydrophobicContact CB-CG 3.94Å; Q29-R256 VanDerWaalsContact O-CZ 3.28Å; Q29-R256 PolarHBondContact O-NH1 2.51Å; Q29-R256 PolarHBondContact O-NH2 3.09Å
30S98.9Very high97.1Very high0 Ų060.4 Ų60.40%031%0.305CS..SBendtrans-119.2157.6176.7-66.80000110.6Y195 G197 S198 W210 R248S30-Y195 WeakPolarHBondContact CB-OH 3.47Å; S30-Y195 WeakPolarHBondContact OG-CE2 3.21Å; S30-Y195 PolarHBondContact OG-OH 3.09Å; S30-G197 WeakPolarHBondContact OG-CA 3.19Å; S30-S198 WeakPolarHBondContact CB-O 3.49Å; S30-S198 PolarHBondContact N-OG 2.8Å; S30-S198 PolarHBondContact OG-N 3.36Å; S30-W210 PolarHBondContact OG-NE1 3.24Å; S30-R248 WeakPolarHBondContact O-CD 3.36Å; S30-R248 PolarHBondContact O-NH1 3.34Å
31P98.8Very high97.2Very high0 Ų064.5 Ų64.50%032%0.317CS..  cis-75.5-179.6-235.4-39.8000112.5E107 R248 Q251P31-E107 HydrophobicContact CB-CB 3.8Å; P31-E107 VanDerWaalsContact CB-O 3.28Å; P31-E107 WeakPolarHBondContact CB-O 3.37Å; P31-E107 VanDerWaalsContact CG-C 3.46Å; P31-E107 HydrophobicContact CG-CB 3.71Å; P31-E107 WeakPolarHBondContact CG-O 3.19Å; P31-R248 VanDerWaalsContact CG-O 3.28Å; P31-R248 WeakPolarHBondContact CG-O 3.17Å; P31-Q251 WeakPolarHBondContact O-CB 3.4Å; P31-Q251 PolarHBondContact O-N 2.85Å
32I98.9Very high97.2Very high1 Ų164.1 Ų64.11%0.00532%0.318CS..  trans-133.1161.8173.260.9169.4000110I34 H108 T109 Y195 L253 V258I32-I34 HydrophobicContact CD1-CG1 4.33Å; I32-I34 HydrophobicContact CG1-CG1 4.22Å; I32-H108 PolarHBondContact O-CD2 2.87Å; I32-T109 PolarHBondContact O-N 2.98Å; I32-Y195 HydrophobicContact CD1-CD1 3.82Å; I32-Y195 HydrophobicContact CD1-CD2 3.96Å; I32-Y195 HydrophobicContact CD1-CE1 3.77Å; I32-Y195 HydrophobicContact CD1-CE2 3.94Å; I32-Y195 HydrophobicContact CD1-CG 3.92Å; I32-Y195 HydrophobicContact CG1-CD1 4.43Å; I32-Y195 HydrophobicContact CG1-CE1 3.87Å; I32-Y195 HydrophobicContact CG1-CE2 4.15Å; I32-Y195 HydrophobicContact CG2-CE2 4.24Å; I32-L253 HydrophobicContact CD1-CD1 3.69Å; I32-L253 HydrophobicContact CG2-CD1 4.45Å; I32-V258 HydrophobicContact CD1-CG2 3.57Å
33D98.8Very high97Very high50 Ų5065 Ų6527%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-80.5126.5161.8-173.532.5000109.3I35 T109 A111 G112D33-I35 WeakPolarHBondContact OD2-CD1 3.36Å; D33-T109 WeakPolarHBondContact CA-OG1 3.45Å; D33-T109 VanDerWaalsContact CB-OG1 3.28Å; D33-T109 WeakPolarHBondContact CB-OG1 3.18Å; D33-T109 WeakPolarHBondContact OD1-CB 3.33Å; D33-T109 PolarHBondContact OD1-OG1 3.31Å; D33-A111 PolarHBondContact OD1-N 2.91Å; D33-G112 PolarHBondContact OD1-N 3.22Å; D33-G112 PolarHBondContact OD2-N 3.07Å
34I98.8Very high96.9Very high0 Ų067 Ų670%034%0.342CS..EExtended strand (participates in β ladder)trans-96113.2178.7-62.1172.9000107.5I32 P36 T109 V110 A111 W193 V212 V258I32-I34 HydrophobicContact CD1-CG1 4.33Å; I32-I34 HydrophobicContact CG1-CG1 4.22Å; I34-P36 VanDerWaalsContact O-CD 3.29Å; I34-P36 WeakPolarHBondContact O-CD 3.43Å; I34-T109 PolarHBondContact N-O 3.42Å; I34-V110 CarbonylContact O-C 3.52Å; I34-V110 WeakPolarHBondContact O-CA 3.42Å; I34-A111 PolarHBondContact O-N 3.34Å; I34-W193 HydrophobicContact CD1-CB 4.3Å; I34-W193 HydrophobicContact CD1-CD2 4.35Å; I34-W193 HydrophobicContact CD1-CE3 4.01Å; I34-W193 HydrophobicContact CG2-CD2 3.75Å; I34-W193 HydrophobicContact CG2-CE3 4.19Å; I34-W193 HydrophobicContact CG2-CG 3.91Å; I34-W193 HydrophobicContact CG2-CZ2 4.32Å; I34-V212 HydrophobicContact CD1-CB 4.16Å; I34-V212 HydrophobicContact CD1-CG1 4.14Å; I34-V212 HydrophobicContact CD1-CG2 4.28Å; I34-V258 HydrophobicContact CG2-CG1 4.32Å
35I98.3Very high96.8Very high54 Ų5467.3 Ų67.328%0.27734%0.343SS..  trans-92.1107.1173-51.4-55.5000108.3D33 D37 E38 A39D33-I35 WeakPolarHBondContact OD2-CD1 3.36Å; I35-D37 VanDerWaalsContact C-N 3.26Å; I35-D37 PolarHBondContact O-N 3.08Å; I35-E38 HydrophobicContact CB-CB 4.1Å; I35-E38 HydrophobicContact CB-CG 4.09Å; I35-E38 HydrophobicContact CG2-CB 4.17Å; I35-E38 HydrophobicContact CG2-CG 3.74Å; I35-E38 PolarHBondContact O-N 3.25Å; I35-E38 VanDerWaalsContact O-N 3.09Å; I35-A39 PolarHBondContact O-N 3.03Å; I35-A39 VanDerWaalsContact O-N 3.1Å
36P96.5Very high96.7Very high53 Ų5362 Ų6234%0.34433%0.328SS..THydrogen-bonded Turntrans-58.3-37.7-173.5-27.437.6000113.6I34 E38 A39 V110 W193I34-P36 VanDerWaalsContact O-CD 3.29Å; I34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-E38 VanDerWaalsContact C-N 3.27Å; P36-E38 PolarHBondContact O-N 3.48Å; P36-A39 WeakPolarHBondContact O-CB 3.47Å; P36-A39 PolarHBondContact O-N 3.36Å; P36-V110 HydrophobicContact CG-CG1 3.57Å; P36-W193 HydrophobicContact CB-CZ2 4.32Å; P36-W193 HydrophobicContact CG-CZ2 4.14Å
37D95Very high96.7Very high163 Ų16365.2 Ų65.287%0.87235%0.346SS*.THydrogen-bonded Turntrans-70.5-22.6-178.7-65.5-19.3000113.1I35I35-D37 VanDerWaalsContact C-N 3.26Å; I35-D37 PolarHBondContact O-N 3.08Å
38E96.3Very high96.8Very high132 Ų13260.5 Ų60.562%0.61732%0.321SS*.THydrogen-bonded Turntrans-92.8-16.8175.2-62.7-178.4-162.400112.4I35 P36 R40I35-E38 HydrophobicContact CB-CB 4.1Å; I35-E38 HydrophobicContact CB-CG 4.09Å; I35-E38 HydrophobicContact CG2-CB 4.17Å; I35-E38 HydrophobicContact CG2-CG 3.74Å; I35-E38 PolarHBondContact O-N 3.25Å; I35-E38 VanDerWaalsContact O-N 3.09Å; P36-E38 VanDerWaalsContact C-N 3.27Å; P36-E38 PolarHBondContact O-N 3.48Å; E38-R40 PolarHBondContact O-N 3.04Å
39A96.3Very high96.7Very high15 Ų1562.7 Ų62.712%0.12433%0.332CS..SBendtrans-67.6120.8177.600000110I35 P36 R41 V258I35-A39 PolarHBondContact O-N 3.03Å; I35-A39 VanDerWaalsContact O-N 3.1Å; P36-A39 WeakPolarHBondContact O-CB 3.47Å; P36-A39 PolarHBondContact O-N 3.36Å; A39-R41 PolarHBondContact O-N 3.26Å; A39-V258 WeakPolarHBondContact CA-O 2.98Å; A39-V258 HydrophobicContact CB-CB 4.4Å; A39-V258 HydrophobicContact CB-CG1 4.16Å
40R95.5Very high96.7Very high171 Ų17163.5 Ų63.565%0.64534%0.336SS*.EExtended strand (participates in β ladder)trans-81.9118.9-178.3-71.5-175.6-167.6177.61.4110.1E38 D42 L257 V258 R259 S260E38-R40 PolarHBondContact O-N 3.04Å; R40-D42 PolarHBondContact O-N 3.08Å; R40-L257 HydrophobicContact CB-CD1 4.26Å; R40-L257 HydrophobicContact CB-CD2 4.35Å; R40-L257 HydrophobicContact CG-CD1 3.84Å; R40-L257 HydrophobicContact CG-CD2 4.44Å; R40-V258 PolarHBondContact N-O 3.35Å; R40-R259 CarbonylContact O-C 3.57Å; R40-R259 VanDerWaalsContact O-CA 3.28Å; R40-R259 WeakPolarHBondContact O-CA 3.48Å; R40-S260 PolarHBondContact O-N 3.21Å
41R95.9Very high96.6Very high178 Ų17869.4 Ų69.467%0.67236%0.362SS*.EExtended strand (participates in β ladder)trans-57.9126.8167.6-173.1-178.3179.5176.5-0.4109.4A39 S260 N262A39-R41 PolarHBondContact O-N 3.26Å; R41-S260 WeakPolarHBondContact CA-O 3.45Å; R41-N262 WeakPolarHBondContact CD-OXT 3.48Å; R41-N262 PolarHBondContact NE-OXT 2.85Å
42D96Very high96.4Very high35 Ų3570.2 Ų70.219%0.18737%0.365CS..  trans-121.2104.7178.1179.5-6.1000108.2R40 S44 L45 R259 S260R40-D42 PolarHBondContact O-N 3.08Å; D42-S44 VanDerWaalsContact CG-OG 3.25Å; D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact OD1-CB 3.29Å; D42-S44 WeakPolarHBondContact OD1-CB 3.27Å; D42-S44 PolarHBondContact OD1-N 3.27Å; D42-S44 PolarHBondContact OD1-OG 3.41Å; D42-S44 PolarHBondContact OD2-OG 3.43Å; D42-L45 HydrophobicContact CB-CD1 3.89Å; D42-L45 HydrophobicContact CB-CG 3.86Å; D42-L45 VanDerWaalsContact O-CB 3.31Å; D42-L45 WeakPolarHBondContact O-CB 3.5Å; D42-L45 PolarHBondContact O-N 2.81Å; D42-R259 HydrophobicContact CB-CB 4.26Å; D42-R259 WeakPolarHBondContact OD2-CD 3.29Å; D42-R259 IonicContact OD2-CZ 3.83Å; D42-R259 IonicContact OD2-NE 3.35Å; D42-R259 IonicContact OD2-NH1 3.21Å; D42-R259 PolarHBondContact OD2-NH1 3.27Å; D42-S260 PolarHBondContact N-O 3.07Å
43S92.6Very high96.1Very high119 Ų11972.7 Ų72.783%0.83238%0.378SS*.THydrogen-bonded Turntrans-68-11.3-178.656.10000113.6L45S43-L45 VanDerWaalsContact C-N 3.33Å
44S94.8Very high95.4Very high91 Ų9177.9 Ų77.964%0.63639%0.394SS*.THydrogen-bonded Turntrans-80-17.1172.8760000112.6D42 G46D42-S44 VanDerWaalsContact CG-OG 3.25Å; D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact OD1-CB 3.29Å; D42-S44 WeakPolarHBondContact OD1-CB 3.27Å; D42-S44 PolarHBondContact OD1-N 3.27Å; D42-S44 PolarHBondContact OD1-OG 3.41Å; D42-S44 PolarHBondContact OD2-OG 3.43Å; S44-G46 PolarHBondContact O-N 2.96Å
45L94.9Very high94.7Very high13 Ų1382.6 Ų82.67%0.06843%0.426CS..  trans-68.297.9172.7-70.3179.4000109.5D42 S43 P84 Y192 T194 R259D42-L45 HydrophobicContact CB-CD1 3.89Å; D42-L45 HydrophobicContact CB-CG 3.86Å; D42-L45 VanDerWaalsContact O-CB 3.31Å; D42-L45 WeakPolarHBondContact O-CB 3.5Å; D42-L45 PolarHBondContact O-N 2.81Å; S43-L45 VanDerWaalsContact C-N 3.33Å; L45-P84 HydrophobicContact CD2-CB 3.94Å; L45-Y192 HydrophobicContact CD1-CE2 4.23Å; L45-Y192 HydrophobicContact CD2-CE2 4.48Å; L45-T194 HydrophobicContact CD1-CG2 3.67Å; L45-T194 HydrophobicContact CD2-CG2 3.96Å; L45-R259 HydrophobicContact CD1-CB 3.75Å
46G94.1Very high94.3Very high30 Ų3080 Ų8031%0.30941%0.413SS..  trans-66.8177.5172.300000112.9S44 G83 Y192S44-G46 PolarHBondContact O-N 2.96Å; G46-G83 WeakPolarHBondContact O-CA 3.46Å; G46-Y192 PolarHBondContact O-OH 3.14Å
47P97.3Very high94.3Very high87 Ų8777.7 Ų77.757%0.56540%0.398SS*.  trans-65.8151.217228.6-34.6000111.4F49 G83P47-F49 HydrophobicContact CB-CE2 4.38Å; P47-F49 HydrophobicContact CB-CZ 4.2Å; P47-F49 HydrophobicContact CG-CE1 4.35Å; P47-F49 HydrophobicContact CG-CE2 3.73Å; P47-F49 HydrophobicContact CG-CZ 3.51Å; P47-G83 PolarHBondContact O-N 3.29Å
48I97.9Very high94.4Very high9 Ų973.1 Ų73.15%0.04637%0.373CS..EExtended strand (participates in β ladder)trans-86.5144.8165.859.4172000110L50 L145 L190 Y192 I211 L213I48-L50 HydrophobicContact CD1-CD1 4.49Å; I48-L145 HydrophobicContact CD1-CD1 3.93Å; I48-L190 HydrophobicContact CD1-CB 4.17Å; I48-L190 HydrophobicContact CG1-CB 4.06Å; I48-L190 HydrophobicContact CG1-CD1 4.29Å; I48-Y192 HydrophobicContact CG2-CD1 4.16Å; I48-Y192 HydrophobicContact CG2-CE1 3.73Å; I48-I211 HydrophobicContact CD1-CG2 4.13Å; I48-I211 HydrophobicContact CG2-CD1 4.25Å; I48-I211 HydrophobicContact CG2-CG2 4.33Å; I48-L213 HydrophobicContact CD1-CD2 3.99Å
49F97.6Very high94.5Very high112 Ų11268.2 Ų68.249%0.49135%0.351SS..EExtended strand (participates in β ladder)trans-123128177.6-59.5-82.9000110P47 I80 Q81P47-F49 HydrophobicContact CB-CE2 4.38Å; P47-F49 HydrophobicContact CB-CZ 4.2Å; P47-F49 HydrophobicContact CG-CE1 4.35Å; P47-F49 HydrophobicContact CG-CE2 3.73Å; P47-F49 HydrophobicContact CG-CZ 3.51Å; F49-I80 WeakPolarHBondContact O-CA 3.46Å; F49-Q81 HydrophobicContact CB-CG 3.91Å; F49-Q81 PolarHBondContact N-O 2.82Å; F49-Q81 PolarHBondContact O-N 3.27Å
50L97.2Very high94.6Very high20 Ų2067.5 Ų67.511%0.10535%0.345CS..EExtended strand (participates in β ladder)trans-117.2113.6-176.1-62.5159.8000108.7I48 Y52 I80 L145 L186 L190I48-L50 HydrophobicContact CD1-CD1 4.49Å; L50-Y52 HydrophobicContact CB-CD2 4.42Å; L50-Y52 HydrophobicContact CB-CE2 4.06Å; L50-Y52 HydrophobicContact CD2-CE1 4.37Å; L50-Y52 HydrophobicContact CD2-CE2 3.93Å; L50-Y52 WeakPolarHBondContact CD2-OH 3.28Å; L50-Y52 HydrophobicContact CG-CE2 4.44Å; L50-I80 HydrophobicContact CD2-CB 3.8Å; L50-I80 HydrophobicContact CD2-CD1 3.75Å; L50-I80 HydrophobicContact CD2-CG1 3.58Å; L50-L145 HydrophobicContact CD1-CD2 3.99Å; L50-L145 HydrophobicContact CD2-CD2 4.05Å; L50-L186 HydrophobicContact CD1-CD1 3.4Å; L50-L186 VanDerWaalsContact CD1-CD1 3.4Å; L50-L186 HydrophobicContact CD1-CD2 4.09Å; L50-L186 HydrophobicContact CD1-CG 4.41Å; L50-L190 HydrophobicContact CD1-CD1 4Å
51K96.6Very high94.7Very high124 Ų12460.4 Ų60.454%0.53932%0.322SS..EExtended strand (participates in β ladder)trans-112.3107.8173178.3-170171.5-163.40106.9S78 V79K51-S78 CarbonylContact O-C 3.56Å; K51-S78 WeakPolarHBondContact O-CA 3.41Å; K51-V79 HydrophobicContact CB-CG2 4.19Å; K51-V79 PolarHBondContact N-O 2.96Å; K51-V79 PolarHBondContact O-N 2.87Å
52Y96.4Very high94.9Very high17 Ų1752 Ų527%0.06729%0.29CS..  trans-124.3126.1179.2-61.6-37.5000110.7L50 L91 L121 H123 N181 P182 K183L50-Y52 HydrophobicContact CB-CD2 4.42Å; L50-Y52 HydrophobicContact CB-CE2 4.06Å; L50-Y52 HydrophobicContact CD2-CE1 4.37Å; L50-Y52 HydrophobicContact CD2-CE2 3.93Å; L50-Y52 WeakPolarHBondContact CD2-OH 3.28Å; L50-Y52 HydrophobicContact CG-CE2 4.44Å; Y52-L91 HydrophobicContact CD1-CD2 4.09Å; Y52-L91 HydrophobicContact CE1-CB 4.15Å; Y52-L91 HydrophobicContact CE1-CD2 4.02Å; Y52-L121 HydrophobicContact CE2-CD2 3.77Å; Y52-L121 WeakPolarHBondContact OH-CD2 3.39Å; Y52-H123 AromaticContact CE1-NE2 3.62Å; Y52-H123 AromaticContact CZ-NE2 3.58Å; Y52-H123 PolarHBondContact OH-CE1 3.39Å; Y52-H123 VanDerWaalsContact OH-CE1 3.22Å; Y52-H123 PolarHBondContact OH-NE2 3.1Å; Y52-N181 WeakPolarHBondContact CB-OD1 3.1Å; Y52-N181 PolarHBondContact O-ND2 3Å; Y52-P182 HydrophobicContact CD2-CB 4.44Å; Y52-P182 HydrophobicContact CD2-CG 3.65Å; Y52-P182 HydrophobicContact CE2-CG 4.01Å; Y52-P182 HydrophobicContact CG-CG 3.97Å; Y52-K183 HydrophobicContact CD2-CB 4.27Å
53D91.1Very high94.9Very high53 Ų5353.8 Ų53.828%0.28330%0.3SS..  trans-95.2130.3177.5-171.9-27.2000110.3C55 T56 R77 S78D53-C55 PolarHBondContact O-N 3.08Å; D53-C55 WeakPolarHBondContact OD1-CB 3.42Å; D53-C55 PolarHBondContact OD1-N 3.36Å; D53-T56 HydrophobicContact CB-CG2 4.01Å; D53-T56 PolarHBondContact O-N 2.81Å; D53-T56 PolarHBondContact O-OG1 3.32Å; D53-R77 HydrophobicContact CB-CB 3.92Å; D53-R77 WeakPolarHBondContact OD2-CD 3.33Å; D53-S78 PolarHBondContact N-OG 2.85Å
54R84.1Confident95.1Very high160 Ų16048.3 Ų48.360%0.60426%0.262SS*.G310 helixtrans-57.9-30.7177.5-80.8172.9-171.4-148.33.2112.9T56 G179 N181R54-T56 PolarHBondContact O-N 3.41Å; R54-G179 CarbonylContact O-C 3.48Å; R54-G179 VanDerWaalsContact O-CA 3.25Å; R54-G179 WeakPolarHBondContact O-CA 3.25Å; R54-G179 PolarHBondContact O-N 2.83Å; R54-N181 HydrophobicContact CG-CB 3.59Å
55C84.3Confident95.2Very high98 Ų9845.7 Ų45.766%0.66224%0.24SC*.G310 helixtrans-80.58.4-175.6-63.50000113.1D53D53-C55 PolarHBondContact O-N 3.08Å; D53-C55 WeakPolarHBondContact OD1-CB 3.42Å; D53-C55 PolarHBondContact OD1-N 3.36Å
56T90.2Very high95.3Very high0 Ų045.3 Ų45.30%024%0.238CC..G310 helixtrans-101.3-17.3-179.558.60000113.8D53 R54 F71 N72 R77 S78D53-T56 HydrophobicContact CB-CG2 4.01Å; D53-T56 PolarHBondContact O-N 2.81Å; D53-T56 PolarHBondContact O-OG1 3.32Å; R54-T56 PolarHBondContact O-N 3.41Å; T56-F71 CarbonylContact O-C 3.51Å; T56-F71 VanDerWaalsContact O-CA 3.23Å; T56-F71 WeakPolarHBondContact O-CA 3.35Å; T56-F71 WeakPolarHBondContact OG1-CD1 3.35Å; T56-N72 PolarHBondContact O-N 3.32Å; T56-R77 HydrophobicContact CG2-CB 4.04Å; T56-S78 PolarHBondContact OG1-OG 3.3Å
57S95.9Very high95.5Very high4 Ų444 Ų443%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-69.6135.2177.575.80000111.2F177 K178 G179 F180S57-F177 CarbonylContact C-O 3.48Å; S57-F177 WeakPolarHBondContact CB-O 3.32Å; S57-F177 PolarHBondContact OG-O 2.66Å; S57-K178 VanDerWaalsContact OG-C 3.32Å; S57-K178 WeakPolarHBondContact OG-CA 3.47Å; S57-G179 PolarHBondContact OG-N 3.43Å; S57-F180 PolarHBondContact OG-N 3.15Å
58L97.3Very high95.6Very high68 Ų6840.4 Ų40.436%0.35620%0.2SC..EExtended strand (participates in β ladder)trans-109.5-69.6-171.2-63.5178.3000111.8E70 N72 F177L58-E70 WeakPolarHBondContact CB-O 3.43Å; L58-E70 PolarHBondContact N-O 2.94Å; L58-N72 HydrophobicContact CD1-CB 4.28Å; L58-N72 HydrophobicContact CD2-CB 4.19Å; L58-N72 HydrophobicContact CG-CB 4.38Å; L58-F177 PolarHBondContact O-N 2.98Å
59N98.1Very high95.6Very high29 Ų2940.1 Ų40.116%0.15520%0.199CC..EExtended strand (participates in β ladder)trans-140.8160-174.571.471000110.1V69 E70 T175N59-V69 WeakPolarHBondContact O-CA 3.35Å; N59-E70 PolarHBondContact ND2-OE2 3.29Å; N59-E70 PolarHBondContact O-N 3.04Å; N59-T175 VanDerWaalsContact CA-O 3.29Å; N59-T175 WeakPolarHBondContact CA-O 3.47Å; N59-T175 WeakPolarHBondContact CB-O 3.29Å
60I98.6Very high95.6Very high0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-116.6136.9164.8-173.6172.3000107.3V67 V68 V69 I161 A164 L165 V168 S174 T175 F177I60-V67 HydrophobicContact CD1-CG2 3.6Å; I60-V67 HydrophobicContact CG1-CG2 3.44Å; I60-V67 VanDerWaalsContact CG1-CG2 3.44Å; I60-V68 CarbonylContact C-O 3.03Å; I60-V68 WeakPolarHBondContact CA-O 3.07Å; I60-V69 HydrophobicContact CB-CG2 4Å; I60-V69 HydrophobicContact CD1-CG2 3.93Å; I60-V69 HydrophobicContact CG1-CG2 3.75Å; I60-I161 HydrophobicContact CD1-CG2 4.17Å; I60-A164 HydrophobicContact CD1-CB 4.03Å; I60-A164 HydrophobicContact CG2-CB 3.87Å; I60-L165 HydrophobicContact CD1-CD2 4.25Å; I60-V168 HydrophobicContact CG1-CG2 4.37Å; I60-V168 HydrophobicContact CG2-CG1 4.29Å; I60-V168 WeakPolarHBondContact O-CG1 3.25Å; I60-S174 WeakPolarHBondContact O-CA 3.46Å; I60-S174 PolarHBondContact O-OG 2.86Å; I60-T175 HydrophobicContact CG2-CG2 3.51Å; I60-T175 PolarHBondContact N-O 2.85Å; I60-T175 PolarHBondContact O-N 3.03Å; I60-F177 HydrophobicContact CB-CB 3.83Å; I60-F177 HydrophobicContact CB-CD1 4.41Å; I60-F177 HydrophobicContact CB-CD2 4.32Å; I60-F177 HydrophobicContact CB-CG 3.94Å; I60-F177 HydrophobicContact CG2-CB 3.76Å; I60-F177 HydrophobicContact CG2-CD2 3.92Å; I60-F177 HydrophobicContact CG2-CG 3.95Å
61S98.6Very high95.7Very high21 Ų2137.6 Ų37.615%0.14719%0.188CC..EExtended strand (participates in β ladder)trans-143.8157.5-17763.40000112.1V67 V68 S173S61-V67 CarbonylContact O-C 3.52Å; S61-V67 VanDerWaalsContact O-CA 3.29Å; S61-V67 WeakPolarHBondContact O-CA 3.26Å; S61-V68 PolarHBondContact N-O 3.21Å; S61-V68 PolarHBondContact O-N 2.91Å; S61-S173 WeakPolarHBondContact CA-O 3.29Å; S61-S173 WeakPolarHBondContact CB-O 3.27Å
62N98.6Very high95.8Very high1 Ų134 Ų341%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-105.4109.2167.2173.3-13000108.3G64 V168 K169 F170 G172 S173 Q231 M243N62-G64 VanDerWaalsContact C-N 3.25Å; N62-G64 PolarHBondContact O-N 3.35Å; N62-G64 WeakPolarHBondContact OD1-CA 3.38Å; N62-G64 PolarHBondContact OD1-N 3.35Å; N62-V168 HydrophobicContact CB-CB 4.33Å; N62-V168 WeakPolarHBondContact CB-O 3.44Å; N62-V168 PolarHBondContact ND2-O 3.06Å; N62-K169 PolarHBondContact ND2-O 2.88Å; N62-K169 VanDerWaalsContact ND2-O 3.08Å; N62-F170 WeakPolarHBondContact CB-O 3.4Å; N62-G172 PolarHBondContact O-N 2.8Å; N62-S173 PolarHBondContact N-O 3.46Å; N62-Q231 PolarHBondContact ND2-O 3.31Å; N62-M243 VanDerWaalsContact OD1-CE 3.26Å; N62-M243 WeakPolarHBondContact OD1-CE 3.48Å
63N96.8Very high95.8Very high73 Ų7334.6 Ų34.639%0.3918%0.179SC..  trans-86.24.7-178.3701.4000113.3H65 S66 V68N63-H65 WeakPolarHBondContact OD1-CA 3.46Å; N63-H65 WeakPolarHBondContact OD1-CB 3.45Å; N63-H65 PolarHBondContact OD1-N 3.04Å; N63-S66 PolarHBondContact N-O 2.96Å; N63-S66 PolarHBondContact OD1-N 2.88Å; N63-S66 PolarHBondContact OD1-O 3.06Å; N63-S66 VanDerWaalsContact OD1-O 3.07Å; N63-V68 WeakPolarHBondContact ND2-CG2 3.32Å
64G96.3Very high96.1Very high4 Ų435.9 Ų35.94%0.04119%0.192CC..SBendtrans82.39.7-17500000114.5N62 F232N62-G64 VanDerWaalsContact C-N 3.25Å; N62-G64 PolarHBondContact O-N 3.35Å; N62-G64 WeakPolarHBondContact OD1-CA 3.38Å; N62-G64 PolarHBondContact OD1-N 3.35Å; G64-F232 VanDerWaalsContact O-CD1 3.26Å; G64-F232 WeakPolarHBondContact O-CD1 3.32Å
65H96.6Very high96.7Very high37 Ų3730.5 Ų30.517%0.17118%0.176CC..SBendtrans-135.8-29.4175-56.6-66.6000112.5W6 N63 N246W6-H65 AromaticContact CE2-CE1 3.93Å; W6-H65 HydrophobicContact CH2-CB 3.83Å; W6-H65 AromaticContact CH2-CG 3.54Å; W6-H65 AromaticContact CH2-ND1 3.58Å; W6-H65 HydrophobicContact CZ2-CB 4.35Å; W6-H65 AromaticContact CZ2-CD2 3.78Å; W6-H65 AromaticContact CZ2-CE1 3.97Å; W6-H65 AromaticContact CZ2-CG 3.72Å; W6-H65 AromaticContact CZ2-ND1 3.83Å; W6-H65 AromaticContact CZ2-NE2 3.96Å; W6-H65 AromaticContact CZ3-ND1 3.72Å; W6-H65 PolarHBondContact O-CE1 2.83Å; N63-H65 WeakPolarHBondContact OD1-CA 3.46Å; N63-H65 WeakPolarHBondContact OD1-CB 3.45Å; N63-H65 PolarHBondContact OD1-N 3.04Å; H65-N246 WeakPolarHBondContact O-CB 3.25Å; H65-N246 PolarHBondContact O-ND2 2.95Å
66S98.2Very high97.2Very high4 Ų430 Ų303%0.02817%0.166CC..SBendtrans-156.2171.6172.8-179.60000109.4N63 F96 M243N63-S66 PolarHBondContact N-O 2.96Å; N63-S66 PolarHBondContact OD1-N 2.88Å; N63-S66 PolarHBondContact OD1-O 3.06Å; N63-S66 VanDerWaalsContact OD1-O 3.07Å; S66-F96 PolarHBondContact OG-N 2.99Å; S66-F96 PolarHBondContact OG-O 3.24Å; S66-M243 VanDerWaalsContact CA-SD 3.53Å
67V98.1Very high97.5Very high2 Ų233.6 Ų33.61%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-78.3137.4151.466.20000110I60 S61 H95 F96 W98 L165 V168 F227 L230I60-V67 HydrophobicContact CD1-CG2 3.6Å; I60-V67 HydrophobicContact CG1-CG2 3.44Å; I60-V67 VanDerWaalsContact CG1-CG2 3.44Å; S61-V67 CarbonylContact O-C 3.52Å; S61-V67 VanDerWaalsContact O-CA 3.29Å; S61-V67 WeakPolarHBondContact O-CA 3.26Å; V67-H95 WeakPolarHBondContact O-CA 3.26Å; V67-H95 VanDerWaalsContact O-CB 3.27Å; V67-H95 WeakPolarHBondContact O-CB 3.4Å; V67-F96 HydrophobicContact CG1-CD2 3.96Å; V67-W98 HydrophobicContact CG1-CH2 4.4Å; V67-W98 HydrophobicContact CG1-CZ3 4.32Å; V67-L165 HydrophobicContact CB-CD2 4.02Å; V67-L165 HydrophobicContact CG1-CD2 4.11Å; V67-L165 HydrophobicContact CG2-CD2 3.63Å; V67-V168 HydrophobicContact CG2-CG2 4.29Å; V67-F227 HydrophobicContact CG1-CD1 3.98Å; V67-F227 HydrophobicContact CG1-CE1 3.71Å; V67-L230 HydrophobicContact CB-CD1 4Å; V67-L230 HydrophobicContact CG1-CD1 4.42Å
68V98.5Very high97.6Very high13 Ų1333.5 Ų33.58%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-130.4132.5-178.5-174.80000109I60 S61 N63 E70 Q93 F94 H95I60-V68 CarbonylContact C-O 3.03Å; I60-V68 WeakPolarHBondContact CA-O 3.07Å; S61-V68 PolarHBondContact N-O 3.21Å; S61-V68 PolarHBondContact O-N 2.91Å; N63-V68 WeakPolarHBondContact ND2-CG2 3.32Å; V68-E70 HydrophobicContact CG1-CG 4.34Å; V68-Q93 HydrophobicContact CG1-CB 3.85Å; V68-Q93 HydrophobicContact CG1-CG 4.23Å; V68-F94 WeakPolarHBondContact CA-O 3.49Å; V68-H95 HydrophobicContact CG2-CB 4.11Å
69V98.6Very high97.7Very high2 Ų230.6 Ų30.61%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-107.3120169.2178.20000108.8N59 I60 F71 Q93 F94 F177N59-V69 WeakPolarHBondContact O-CA 3.35Å; I60-V69 HydrophobicContact CB-CG2 4Å; I60-V69 HydrophobicContact CD1-CG2 3.93Å; I60-V69 HydrophobicContact CG1-CG2 3.75Å; V69-F71 HydrophobicContact CB-CE2 4.26Å; V69-F71 HydrophobicContact CG1-CD2 4.42Å; V69-F71 HydrophobicContact CG1-CE2 3.67Å; V69-F71 HydrophobicContact CG1-CZ 3.98Å; V69-Q93 CarbonylContact O-C 3.55Å; V69-Q93 WeakPolarHBondContact O-CA 3.28Å; V69-Q93 VanDerWaalsContact O-CB 3.28Å; V69-Q93 WeakPolarHBondContact O-CB 3.36Å; V69-F94 HydrophobicContact CB-CD1 4.12Å; V69-F94 HydrophobicContact CB-CD2 4.23Å; V69-F94 HydrophobicContact CB-CE1 3.65Å; V69-F94 HydrophobicContact CB-CE2 3.75Å; V69-F94 HydrophobicContact CB-CG 4.38Å; V69-F94 HydrophobicContact CB-CZ 3.45Å; V69-F94 VanDerWaalsContact CB-CZ 3.45Å; V69-F94 HydrophobicContact CG1-CD1 4.49Å; V69-F94 HydrophobicContact CG1-CE1 3.8Å; V69-F94 HydrophobicContact CG1-CZ 3.92Å; V69-F94 HydrophobicContact CG2-CD2 4.37Å; V69-F94 HydrophobicContact CG2-CE1 4.07Å; V69-F94 HydrophobicContact CG2-CE2 3.51Å; V69-F94 HydrophobicContact CG2-CZ 3.34Å; V69-F94 PolarHBondContact N-O 2.89Å; V69-F94 PolarHBondContact O-N 2.79Å; V69-F177 HydrophobicContact CG1-CD1 3.75Å; V69-F177 HydrophobicContact CG1-CE1 4.25Å; V69-F177 HydrophobicContact CG2-CD1 4.1Å; V69-F177 HydrophobicContact CG2-CE1 4.2Å
70E98.6Very high97.7Very high78 Ų7829.2 Ų29.236%0.36416%0.157SC..EExtended strand (participates in β ladder)trans-94.3147.3-179.3-64.6-168127.200112.2L58 N59 V68L58-E70 WeakPolarHBondContact CB-O 3.43Å; L58-E70 PolarHBondContact N-O 2.94Å; N59-E70 PolarHBondContact ND2-OE2 3.29Å; N59-E70 PolarHBondContact O-N 3.04Å; V68-E70 HydrophobicContact CG1-CG 4.34Å
71F98.5Very high97.7Very high2 Ų233.1 Ų33.11%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-123.4150.8178.8-67.9-99.1000111T56 V69 D73 L91 K92 F94 F180 P182T56-F71 CarbonylContact O-C 3.51Å; T56-F71 VanDerWaalsContact O-CA 3.23Å; T56-F71 WeakPolarHBondContact O-CA 3.35Å; T56-F71 WeakPolarHBondContact OG1-CD1 3.35Å; V69-F71 HydrophobicContact CB-CE2 4.26Å; V69-F71 HydrophobicContact CG1-CD2 4.42Å; V69-F71 HydrophobicContact CG1-CE2 3.67Å; V69-F71 HydrophobicContact CG1-CZ 3.98Å; F71-D73 PolarHBondContact O-N 3.35Å; F71-L91 HydrophobicContact CB-CD2 4.38Å; F71-L91 HydrophobicContact CB-CG 4.33Å; F71-L91 HydrophobicContact CD1-CD2 3.81Å; F71-L91 HydrophobicContact CD2-CD2 3.76Å; F71-L91 HydrophobicContact CD2-CG 4Å; F71-L91 HydrophobicContact CE1-CD2 3.97Å; F71-L91 HydrophobicContact CE2-CD2 3.95Å; F71-L91 HydrophobicContact CG-CD2 3.7Å; F71-L91 HydrophobicContact CG-CG 4.06Å; F71-L91 HydrophobicContact CZ-CD2 4.04Å; F71-K92 PolarHBondContact N-O 3.49Å; F71-F94 AromaticContact CE2-CD1 3.46Å; F71-F94 HydrophobicContact CE2-CD1 3.46Å; F71-F94 VanDerWaalsContact CE2-CD1 3.46Å; F71-F94 AromaticContact CE2-CE1 3.66Å; F71-F94 HydrophobicContact CE2-CE1 3.66Å; F71-F94 AromaticContact CZ-CD1 3.83Å; F71-F94 HydrophobicContact CZ-CD1 3.83Å; F71-F94 AromaticContact CZ-CE1 3.67Å; F71-F94 HydrophobicContact CZ-CE1 3.67Å; F71-F180 HydrophobicContact CZ-CD1 4.37Å; F71-P182 HydrophobicContact CE1-CG 4.14Å; F71-P182 HydrophobicContact CZ-CB 4.46Å; F71-P182 HydrophobicContact CZ-CG 3.9Å
72N98Very high97.7Very high49 Ų4933.3 Ų33.326%0.26218%0.18SC..  trans-70.2116169.2-173.7-12.1000109.9T56 L58 S74T56-N72 PolarHBondContact O-N 3.32Å; L58-N72 HydrophobicContact CD1-CB 4.28Å; L58-N72 HydrophobicContact CD2-CB 4.19Å; L58-N72 HydrophobicContact CG-CB 4.38Å; N72-S74 VanDerWaalsContact OD1-CB 3.29Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 2.73Å; N72-S74 PolarHBondContact OD1-OG 3.29Å
73D97.4Very high97.6Very high28 Ų2834.2 Ų34.215%0.1519%0.189CC..  trans-110.618.7-17963.2-33.4000113.3F71 D75 R90 K92 W124F71-D73 PolarHBondContact O-N 3.35Å; D73-D75 PolarHBondContact O-N 3.09Å; D73-R90 HydrophobicContact CB-CB 4.36Å; D73-R90 WeakPolarHBondContact O-CD 3.34Å; D73-R90 PolarHBondContact O-NH1 2.54Å; D73-K92 HydrophobicContact CB-CD 4.36Å; D73-K92 IonicContact OD1-NZ 2.98Å; D73-K92 PolarHBondContact OD1-NZ 3Å; D73-K92 WeakPolarHBondContact OD2-CD 3.38Å; D73-K92 IonicContact OD2-NZ 2.88Å; D73-K92 PolarHBondContact OD2-NZ 3.21Å; D73-W124 PolarHBondContact OD2-NE1 3.32Å
74S96.8Very high97.7Very high80 Ų8031.7 Ų31.756%0.55918%0.177SC*.SBendtrans-68.6-21177.268.10000113.5N72 R90N72-S74 VanDerWaalsContact OD1-CB 3.29Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 2.73Å; N72-S74 PolarHBondContact OD1-OG 3.29Å; S74-R90 VanDerWaalsContact C-NH1 3.3Å; S74-R90 PolarHBondContact O-NH1 3.31Å; S74-R90 VanDerWaalsContact O-NH1 3.09Å
75D95.9Very high97.8Very high48 Ų4832.2 Ų32.226%0.25718%0.179SC..SBendtrans-141.7178.2-175.865.249.6000112.6D73 R77 R90D73-D75 PolarHBondContact O-N 3.09Å; D75-R77 VanDerWaalsContact C-N 3.34Å; D75-R77 VanDerWaalsContact CG-NE 3.31Å; D75-R77 PolarHBondContact O-N 2.98Å; D75-R77 WeakPolarHBondContact OD1-CB 3.4Å; D75-R77 WeakPolarHBondContact OD1-CG 3.26Å; D75-R77 IonicContact OD1-CZ 3.8Å; D75-R77 PolarHBondContact OD1-N 2.95Å; D75-R77 IonicContact OD1-NE 2.74Å; D75-R77 PolarHBondContact OD1-NE 2.92Å; D75-R77 IonicContact OD1-NH2 3.63Å; D75-R77 IonicContact OD2-CZ 3.49Å; D75-R77 IonicContact OD2-NE 3.64Å; D75-R77 PolarHBondContact OD2-NE 3.06Å; D75-R77 IonicContact OD2-NH2 3.61Å; D75-R77 PolarHBondContact OD2-NH2 3.25Å; D75-R90 WeakPolarHBondContact O-CD 3.36Å; D75-R90 PolarHBondContact O-NE 2.95Å
76D96.1Very high97.8Very high87 Ų8737.6 Ų37.647%0.46521%0.209SC..THydrogen-bonded Turntrans-93.527.6-174.5-54.3-28.8000113.4V79 R90D76-V79 HydrophobicContact CB-CG1 4.08Å; D76-R90 IonicContact OD1-CZ 3.18Å; D76-R90 IonicContact OD1-NE 2.7Å; D76-R90 PolarHBondContact OD1-NE 3.39Å; D76-R90 IonicContact OD1-NH2 2.83Å; D76-R90 PolarHBondContact OD1-NH2 3.19Å
77R96.3Very high97.8Very high76 Ų7639.6 Ų39.629%0.28722%0.22SC..THydrogen-bonded Turntrans-71.9-32.6177.2-75.7-177.4-67.5158.7-4.7113.2D53 T56 D75D53-R77 HydrophobicContact CB-CB 3.92Å; D53-R77 WeakPolarHBondContact OD2-CD 3.33Å; T56-R77 HydrophobicContact CG2-CB 4.04Å; D75-R77 VanDerWaalsContact C-N 3.34Å; D75-R77 VanDerWaalsContact CG-NE 3.31Å; D75-R77 PolarHBondContact O-N 2.98Å; D75-R77 WeakPolarHBondContact OD1-CB 3.4Å; D75-R77 WeakPolarHBondContact OD1-CG 3.26Å; D75-R77 IonicContact OD1-CZ 3.8Å; D75-R77 PolarHBondContact OD1-N 2.95Å; D75-R77 IonicContact OD1-NE 2.74Å; D75-R77 PolarHBondContact OD1-NE 2.92Å; D75-R77 IonicContact OD1-NH2 3.63Å; D75-R77 IonicContact OD2-CZ 3.49Å; D75-R77 IonicContact OD2-NE 3.64Å; D75-R77 PolarHBondContact OD2-NE 3.06Å; D75-R77 IonicContact OD2-NH2 3.61Å; D75-R77 PolarHBondContact OD2-NH2 3.25Å
78S98.1Very high97.8Very high2 Ų241.7 Ų41.71%0.01423%0.233CC..SBendtrans-121.697.9-179.9-71.90000110.8K51 D53 T56 R90 L91K51-S78 CarbonylContact O-C 3.56Å; K51-S78 WeakPolarHBondContact O-CA 3.41Å; D53-S78 PolarHBondContact N-OG 2.85Å; T56-S78 PolarHBondContact OG1-OG 3.3Å; S78-R90 WeakPolarHBondContact O-CA 3.28Å; S78-L91 PolarHBondContact O-N 3.29Å
79V98.5Very high97.8Very high6 Ų641.2 Ų41.24%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-138.9153.6-174.2-61.60000113.2K51 D76 P88 Y89 R90K51-V79 HydrophobicContact CB-CG2 4.19Å; K51-V79 PolarHBondContact N-O 2.96Å; K51-V79 PolarHBondContact O-N 2.87Å; D76-V79 HydrophobicContact CB-CG1 4.08Å; V79-P88 HydrophobicContact CB-CB 4.37Å; V79-Y89 CarbonylContact C-O 3.49Å; V79-Y89 WeakPolarHBondContact CA-O 3.14Å; V79-Y89 WeakPolarHBondContact CB-O 3.42Å; V79-R90 HydrophobicContact CG1-CG 4.11Å
80I98.6Very high97.8Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-107.4142161.1-173.4173.4000109.3F49 L50 L85 P88 Y89 H123 L145 I211F49-I80 WeakPolarHBondContact O-CA 3.46Å; L50-I80 HydrophobicContact CD2-CB 3.8Å; L50-I80 HydrophobicContact CD2-CD1 3.75Å; L50-I80 HydrophobicContact CD2-CG1 3.58Å; I80-L85 HydrophobicContact CD1-CD1 4.39Å; I80-L85 HydrophobicContact CG1-CD1 4.11Å; I80-L85 HydrophobicContact CG2-CD1 3.86Å; I80-P88 CarbonylContact O-C 3.53Å; I80-P88 WeakPolarHBondContact O-CA 3.37Å; I80-Y89 PolarHBondContact N-O 2.61Å; I80-Y89 PolarHBondContact O-N 2.92Å; I80-H123 HydrophobicContact CG2-CB 3.86Å; I80-H123 VanDerWaalsContact CG2-CD2 3.43Å; I80-H123 WeakPolarHBondContact CG2-CD2 3.34Å; I80-H123 VanDerWaalsContact CG2-CG 3.45Å; I80-L145 HydrophobicContact CD1-CB 4.46Å; I80-I211 HydrophobicContact CD1-CD1 3.86Å
81Q98.3Very high97.8Very high83 Ų8339.6 Ų39.639%0.38822%0.22SC..EExtended strand (participates in β ladder)trans-151.4168.5175.966.2-175.921.400111.3F49 P88F49-Q81 HydrophobicContact CB-CG 3.91Å; F49-Q81 PolarHBondContact N-O 2.82Å; F49-Q81 PolarHBondContact O-N 3.27Å; Q81-P88 HydrophobicContact CB-CB 4.17Å; Q81-P88 HydrophobicContact CB-CG 4.32Å
82G98.1Very high97.8Very high25 Ų2542 Ų4226%0.25823%0.231SC..EExtended strand (participates in β ladder)trans79.4-163-177.300000112.5L85G82-L85 WeakPolarHBondContact O-CB 3.27Å; G82-L85 PolarHBondContact O-N 2.72Å; G82-L85 VanDerWaalsContact O-N 3.09Å
83G98Very high97.9Very high19 Ų1941.2 Ų41.220%0.19623%0.225CC..THydrogen-bonded Turntrans54-122.8-172.300000113.1G46 P47 L85 Y192G46-G83 WeakPolarHBondContact O-CA 3.46Å; P47-G83 PolarHBondContact O-N 3.29Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 2.88Å; G83-Y192 WeakPolarHBondContact CA-OH 3.22Å
84P98Very high97.9Very high21 Ų2139.9 Ų39.914%0.13622%0.218CC..THydrogen-bonded Turntrans-85.25.2179.637-36.5000114L45 Y192 T194 I209 I211L45-P84 HydrophobicContact CD2-CB 3.94Å; P84-Y192 HydrophobicContact CG-CE2 4.4Å; P84-T194 HydrophobicContact CB-CG2 4.1Å; P84-T194 HydrophobicContact CG-CG2 4.28Å; P84-T194 WeakPolarHBondContact CG-OG1 3.28Å; P84-I209 HydrophobicContact CB-CG2 4.31Å; P84-I209 HydrophobicContact CG-CG2 3.99Å; P84-I211 HydrophobicContact CG-CD1 3.89Å; P84-I211 HydrophobicContact CG-CG1 3.84Å
85L98.4Very high98Very high14 Ų1437 Ų377%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-98.8128.8-171.1-53.2177.8000111.7I80 G82 G83 Y89 A143 I209 I211I80-L85 HydrophobicContact CD1-CD1 4.39Å; I80-L85 HydrophobicContact CG1-CD1 4.11Å; I80-L85 HydrophobicContact CG2-CD1 3.86Å; G82-L85 WeakPolarHBondContact O-CB 3.27Å; G82-L85 PolarHBondContact O-N 2.72Å; G82-L85 VanDerWaalsContact O-N 3.09Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 2.88Å; L85-Y89 HydrophobicContact CB-CD2 4.34Å; L85-Y89 HydrophobicContact CB-CE2 4.12Å; L85-Y89 HydrophobicContact CD1-CD2 4.02Å; L85-Y89 HydrophobicContact CD1-CE2 4.47Å; L85-Y89 HydrophobicContact CD2-CD2 4.36Å; L85-Y89 HydrophobicContact CD2-CE2 4.06Å; L85-Y89 HydrophobicContact CG-CD2 4.48Å; L85-Y89 HydrophobicContact CG-CE2 4.45Å; L85-A143 HydrophobicContact CD1-CB 4.05Å; L85-A143 HydrophobicContact CD2-CB 3.72Å; L85-I209 HydrophobicContact CD2-CB 4.13Å; L85-I209 HydrophobicContact CD2-CD1 3.87Å; L85-I209 HydrophobicContact CD2-CG2 3.93Å; L85-I211 HydrophobicContact CD1-CD1 4.08Å; L85-I211 HydrophobicContact CD2-CD1 4.33Å; L85-I211 HydrophobicContact CG-CD1 4.15Å
86D96.3Very high98.1Very high150 Ų15034.8 Ų34.880%0.80218%0.184SC*.EExtended strand (participates in β ladder)trans-75.5-28.7177.2-64.9-32000112.8
87N97.9Very high98.3Very high47 Ų4730.7 Ų30.725%0.25116%0.162SC..EExtended strand (participates in β ladder)trans-125.6165.5-178.9-67.2-32.8000111.1Y89 N125 V127N87-Y89 HydrophobicContact CB-CE2 4.24Å; N87-Y89 WeakPolarHBondContact O-CD2 3.34Å; N87-Y89 WeakPolarHBondContact O-CE2 3.5Å; N87-N125 PolarHBondContact ND2-ND2 3.08Å; N87-N125 PolarHBondContact ND2-OD1 2.99Å; N87-V127 HydrophobicContact CB-CB 4.18Å; N87-V127 HydrophobicContact CB-CG2 4.21Å
88P98.4Very high98.4Very high46 Ų4627.1 Ų27.130%0.29915%0.149SC..EExtended strand (participates in β ladder)trans-68138159.9-17.231.8000111.7V79 I80 Q81V79-P88 HydrophobicContact CB-CB 4.37Å; I80-P88 CarbonylContact O-C 3.53Å; I80-P88 WeakPolarHBondContact O-CA 3.37Å; Q81-P88 HydrophobicContact CB-CB 4.17Å; Q81-P88 HydrophobicContact CB-CG 4.32Å
89Y98.8Very high98.2Very high2 Ų227.1 Ų27.11%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-115.8129.6177.9-73.1-125.5000109.6V79 I80 L85 N87 W124 N125 D140 A143V79-Y89 CarbonylContact C-O 3.49Å; V79-Y89 WeakPolarHBondContact CA-O 3.14Å; V79-Y89 WeakPolarHBondContact CB-O 3.42Å; I80-Y89 PolarHBondContact N-O 2.61Å; I80-Y89 PolarHBondContact O-N 2.92Å; L85-Y89 HydrophobicContact CB-CD2 4.34Å; L85-Y89 HydrophobicContact CB-CE2 4.12Å; L85-Y89 HydrophobicContact CD1-CD2 4.02Å; L85-Y89 HydrophobicContact CD1-CE2 4.47Å; L85-Y89 HydrophobicContact CD2-CD2 4.36Å; L85-Y89 HydrophobicContact CD2-CE2 4.06Å; L85-Y89 HydrophobicContact CG-CD2 4.48Å; L85-Y89 HydrophobicContact CG-CE2 4.45Å; N87-Y89 HydrophobicContact CB-CE2 4.24Å; N87-Y89 WeakPolarHBondContact O-CD2 3.34Å; N87-Y89 WeakPolarHBondContact O-CE2 3.5Å; Y89-W124 CarbonylContact C-O 3.56Å; Y89-W124 VanDerWaalsContact CA-O 3.25Å; Y89-W124 WeakPolarHBondContact CA-O 3.38Å; Y89-W124 VanDerWaalsContact CD1-C 3.45Å; Y89-N125 HydrophobicContact CD1-CB 3.9Å; Y89-N125 HydrophobicContact CE1-CB 3.49Å; Y89-N125 VanDerWaalsContact CE1-CB 3.49Å; Y89-N125 HydrophobicContact CE2-CB 4.11Å; Y89-N125 HydrophobicContact CG-CB 4.38Å; Y89-N125 PolarHBondContact OH-ND2 2.96Å; Y89-D140 WeakPolarHBondContact CE1-O 3.32Å; Y89-D140 PolarHBondContact OH-O 3.19Å; Y89-A143 HydrophobicContact CD1-CB 3.54Å; Y89-A143 HydrophobicContact CE1-CB 3.94Å; Y89-A143 HydrophobicContact CG-CB 3.89Å
90R98.8Very high97.8Very high47 Ų4732 Ų3218%0.17717%0.171CC..EExtended strand (participates in β ladder)trans-77.2132.2-178.7-64.6-176.1-177.1173.7-0.8111.3D73 S74 D75 D76 S78 V79 K92 H123 W124 A126D73-R90 HydrophobicContact CB-CB 4.36Å; D73-R90 WeakPolarHBondContact O-CD 3.34Å; D73-R90 PolarHBondContact O-NH1 2.54Å; S74-R90 VanDerWaalsContact C-NH1 3.3Å; S74-R90 PolarHBondContact O-NH1 3.31Å; S74-R90 VanDerWaalsContact O-NH1 3.09Å; D75-R90 WeakPolarHBondContact O-CD 3.36Å; D75-R90 PolarHBondContact O-NE 2.95Å; D76-R90 IonicContact OD1-CZ 3.18Å; D76-R90 IonicContact OD1-NE 2.7Å; D76-R90 PolarHBondContact OD1-NE 3.39Å; D76-R90 IonicContact OD1-NH2 2.83Å; D76-R90 PolarHBondContact OD1-NH2 3.19Å; S78-R90 WeakPolarHBondContact O-CA 3.28Å; V79-R90 HydrophobicContact CG1-CG 4.11Å; R90-K92 PolarHBondContact O-N 3.47Å; R90-H123 CarbonylContact O-C 3.43Å; R90-H123 WeakPolarHBondContact O-CA 3.34Å; R90-H123 WeakPolarHBondContact O-CB 3.36Å; R90-W124 PolarHBondContact N-O 3.24Å; R90-W124 PolarHBondContact O-N 2.9Å; R90-A126 HydrophobicContact CG-CB 3.98Å
91L98.8Very high96.9Very high0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-66.3121.2173.5177.266.5000109.5Y52 F71 S78 Q93 L121 H123 P182Y52-L91 HydrophobicContact CD1-CD2 4.09Å; Y52-L91 HydrophobicContact CE1-CB 4.15Å; Y52-L91 HydrophobicContact CE1-CD2 4.02Å; F71-L91 HydrophobicContact CB-CD2 4.38Å; F71-L91 HydrophobicContact CB-CG 4.33Å; F71-L91 HydrophobicContact CD1-CD2 3.81Å; F71-L91 HydrophobicContact CD2-CD2 3.76Å; F71-L91 HydrophobicContact CD2-CG 4Å; F71-L91 HydrophobicContact CE1-CD2 3.97Å; F71-L91 HydrophobicContact CE2-CD2 3.95Å; F71-L91 HydrophobicContact CG-CD2 3.7Å; F71-L91 HydrophobicContact CG-CG 4.06Å; F71-L91 HydrophobicContact CZ-CD2 4.04Å; S78-L91 PolarHBondContact O-N 3.29Å; L91-Q93 WeakPolarHBondContact CD1-O 3.09Å; L91-L121 HydrophobicContact CD1-CB 4.04Å; L91-L121 HydrophobicContact CD1-CG 4.49Å; L91-H123 VanDerWaalsContact CA-CD2 3.46Å; L91-H123 WeakPolarHBondContact CA-CD2 3.39Å; L91-P182 HydrophobicContact CD2-CG 3.78Å
92K98.6Very high95.9Very high52 Ų5237.7 Ų37.723%0.22620%0.202CC..EExtended strand (participates in β ladder)trans-93.6-50.2175.7-177.664.8177.3178.40111.7F71 D73 R90 V122 F132F71-K92 PolarHBondContact N-O 3.49Å; D73-K92 HydrophobicContact CB-CD 4.36Å; D73-K92 IonicContact OD1-NZ 2.98Å; D73-K92 PolarHBondContact OD1-NZ 3Å; D73-K92 WeakPolarHBondContact OD2-CD 3.38Å; D73-K92 IonicContact OD2-NZ 2.88Å; D73-K92 PolarHBondContact OD2-NZ 3.21Å; R90-K92 PolarHBondContact O-N 3.47Å; K92-V122 PolarHBondContact N-O 2.92Å; K92-F132 HydrophobicContact CB-CD2 4.19Å; K92-F132 HydrophobicContact CB-CE2 4.07Å; K92-F132 HydrophobicContact CD-CD2 4.26Å; K92-F132 HydrophobicContact CG-CD2 3.95Å; K92-F132 HydrophobicContact CG-CE2 3.97Å
93Q98.7Very high95Very high32 Ų3239.8 Ų39.815%0.1521%0.213CC..EExtended strand (participates in β ladder)trans-160.5165.9-173.654.484.6-15.900110.8V68 V69 L91 H95 V122V68-Q93 HydrophobicContact CG1-CB 3.85Å; V68-Q93 HydrophobicContact CG1-CG 4.23Å; V69-Q93 CarbonylContact O-C 3.55Å; V69-Q93 WeakPolarHBondContact O-CA 3.28Å; V69-Q93 VanDerWaalsContact O-CB 3.28Å; V69-Q93 WeakPolarHBondContact O-CB 3.36Å; L91-Q93 WeakPolarHBondContact CD1-O 3.09Å; Q93-H95 PolarHBondContact NE2-ND1 2.93Å; Q93-H95 PolarHBondContact OE1-ND1 2.62Å; Q93-V122 HydrophobicContact CG-CB 4.27Å; Q93-V122 VanDerWaalsContact NE2-CG2 3.3Å; Q93-V122 PolarHBondContact O-N 3.05Å
94F98.8Very high94.6Very high1 Ų146 Ų460%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-128.6158.3154.971.4-107.4000111.7V68 V69 F71 F96 L119 H120 L121 I161 F180 P182V68-F94 WeakPolarHBondContact CA-O 3.49Å; V69-F94 HydrophobicContact CB-CD1 4.12Å; V69-F94 HydrophobicContact CB-CD2 4.23Å; V69-F94 HydrophobicContact CB-CE1 3.65Å; V69-F94 HydrophobicContact CB-CE2 3.75Å; V69-F94 HydrophobicContact CB-CG 4.38Å; V69-F94 HydrophobicContact CB-CZ 3.45Å; V69-F94 VanDerWaalsContact CB-CZ 3.45Å; V69-F94 HydrophobicContact CG1-CD1 4.49Å; V69-F94 HydrophobicContact CG1-CE1 3.8Å; V69-F94 HydrophobicContact CG1-CZ 3.92Å; V69-F94 HydrophobicContact CG2-CD2 4.37Å; V69-F94 HydrophobicContact CG2-CE1 4.07Å; V69-F94 HydrophobicContact CG2-CE2 3.51Å; V69-F94 HydrophobicContact CG2-CZ 3.34Å; V69-F94 PolarHBondContact N-O 2.89Å; V69-F94 PolarHBondContact O-N 2.79Å; F71-F94 AromaticContact CE2-CD1 3.46Å; F71-F94 HydrophobicContact CE2-CD1 3.46Å; F71-F94 VanDerWaalsContact CE2-CD1 3.46Å; F71-F94 AromaticContact CE2-CE1 3.66Å; F71-F94 HydrophobicContact CE2-CE1 3.66Å; F71-F94 AromaticContact CZ-CD1 3.83Å; F71-F94 HydrophobicContact CZ-CD1 3.83Å; F71-F94 AromaticContact CZ-CE1 3.67Å; F71-F94 HydrophobicContact CZ-CE1 3.67Å; F94-F96 AromaticContact CD2-CE2 3.88Å; F94-F96 HydrophobicContact CD2-CE2 3.88Å; F94-F96 HydrophobicContact CD2-CZ 4.35Å; F94-F96 AromaticContact CE2-CE2 3.62Å; F94-F96 HydrophobicContact CE2-CE2 3.62Å; F94-F96 HydrophobicContact CE2-CZ 4.09Å; F94-L119 HydrophobicContact CB-CD1 3.9Å; F94-L119 HydrophobicContact CD2-CD1 3.65Å; F94-L119 HydrophobicContact CG-CD1 3.99Å; F94-H120 CarbonylContact C-O 3.52Å; F94-H120 WeakPolarHBondContact CA-O 3.46Å; F94-H120 WeakPolarHBondContact CB-O 3.45Å; F94-L121 HydrophobicContact CB-CB 4.4Å; F94-L121 HydrophobicContact CB-CD1 4.16Å; F94-L121 HydrophobicContact CB-CG 3.91Å; F94-I161 HydrophobicContact CE2-CD1 3.89Å; F94-I161 HydrophobicContact CZ-CD1 3.81Å; F94-F180 AromaticContact CE1-CD1 3.82Å; F94-F180 HydrophobicContact CE1-CD1 3.82Å; F94-F180 AromaticContact CE1-CE1 3.49Å; F94-F180 HydrophobicContact CE1-CE1 3.49Å; F94-F180 VanDerWaalsContact CE1-CE1 3.49Å; F94-F180 HydrophobicContact CZ-CD1 4.1Å; F94-F180 AromaticContact CZ-CE1 3.6Å; F94-F180 HydrophobicContact CZ-CE1 3.6Å; F94-F180 HydrophobicContact CZ-CZ 4.28Å; F94-P182 HydrophobicContact CD1-CB 4.11Å; F94-P182 HydrophobicContact CE1-CB 4.19Å
95H98.9Very high94.5Very high19 Ų1945 Ų459%0.08823%0.23CC..EExtended strand (participates in β ladder)trans-151.4173.9176.860.4-75.8000110.8V67 V68 Q93 H97 L119 H120V67-H95 WeakPolarHBondContact O-CA 3.26Å; V67-H95 VanDerWaalsContact O-CB 3.27Å; V67-H95 WeakPolarHBondContact O-CB 3.4Å; V68-H95 HydrophobicContact CG2-CB 4.11Å; Q93-H95 PolarHBondContact NE2-ND1 2.93Å; Q93-H95 PolarHBondContact OE1-ND1 2.62Å; H95-H97 AromaticContact CD2-NE2 3.46Å; H95-H97 PolarHBondContact CD2-NE2 3.25Å; H95-H97 AromaticContact NE2-NE2 3.42Å; H95-H97 PolarHBondContact NE2-NE2 3.11Å; H95-L119 WeakPolarHBondContact O-CD1 3.25Å; H95-H120 PolarHBondContact N-O 2.85Å; H95-H120 AromaticContact NE2-ND1 3.7Å; H95-H120 PolarHBondContact O-N 3.13Å
96F98.8Very high94.5Very high1 Ų144.7 Ų44.70%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-127.7149.2-176.3-60.3-99.5000111.4S66 V67 F94 W98 E118 L119 L149 L158 I161 L185 F227 N246S66-F96 PolarHBondContact OG-N 2.99Å; S66-F96 PolarHBondContact OG-O 3.24Å; V67-F96 HydrophobicContact CG1-CD2 3.96Å; F94-F96 AromaticContact CD2-CE2 3.88Å; F94-F96 HydrophobicContact CD2-CE2 3.88Å; F94-F96 HydrophobicContact CD2-CZ 4.35Å; F94-F96 AromaticContact CE2-CE2 3.62Å; F94-F96 HydrophobicContact CE2-CE2 3.62Å; F94-F96 HydrophobicContact CE2-CZ 4.09Å; F96-W98 HydrophobicContact CB-CE3 3.74Å; F96-W98 HydrophobicContact CB-CZ3 3.84Å; F96-W98 WeakPolarHBondContact O-CZ3 3.36Å; F96-E118 CarbonylContact C-O 3.48Å; F96-E118 WeakPolarHBondContact CA-O 3.39Å; F96-L119 HydrophobicContact CD1-CB 3.8Å; F96-L119 HydrophobicContact CD1-CD1 4.06Å; F96-L119 HydrophobicContact CD1-CG 4.43Å; F96-L119 HydrophobicContact CD2-CD1 4.45Å; F96-L119 HydrophobicContact CE1-CB 3.77Å; F96-L119 HydrophobicContact CE1-CD1 3.73Å; F96-L119 HydrophobicContact CE1-CD2 4.07Å; F96-L119 HydrophobicContact CE1-CG 4.06Å; F96-L119 HydrophobicContact CE2-CD1 4.18Å; F96-L119 HydrophobicContact CG-CD1 4.4Å; F96-L119 HydrophobicContact CZ-CD1 3.8Å; F96-L119 HydrophobicContact CZ-CD2 4.39Å; F96-L149 HydrophobicContact CD1-CD2 4.15Å; F96-L149 HydrophobicContact CE1-CD2 4.07Å; F96-L158 HydrophobicContact CZ-CD1 4.4Å; F96-I161 HydrophobicContact CE2-CD1 4.15Å; F96-I161 HydrophobicContact CE2-CG2 4.49Å; F96-I161 HydrophobicContact CZ-CD1 3.93Å; F96-L185 HydrophobicContact CZ-CD1 4.27Å; F96-F227 HydrophobicContact CB-CE1 4.21Å; F96-F227 HydrophobicContact CD1-CE1 4.36Å; F96-F227 AromaticContact CD2-CE1 3.57Å; F96-F227 HydrophobicContact CD2-CE1 3.57Å; F96-F227 HydrophobicContact CD2-CZ 4.17Å; F96-F227 HydrophobicContact CE1-CZ 4.45Å; F96-F227 AromaticContact CE2-CE1 3.88Å; F96-F227 HydrophobicContact CE2-CE1 3.88Å; F96-F227 HydrophobicContact CE2-CZ 4.05Å; F96-F227 AromaticContact CG-CE1 3.82Å; F96-F227 HydrophobicContact CG-CE1 3.82Å; F96-F227 HydrophobicContact CG-CZ 4.39Å; F96-F227 HydrophobicContact CZ-CE1 4.43Å; F96-F227 HydrophobicContact CZ-CZ 4.21Å; F96-N246 PolarHBondContact O-ND2 2.78Å
97H98.7Very high94.6Very high2 Ų237.6 Ų37.61%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-114137.7165-65.2-86.3000108.7H95 G105 E107 S117 E118 H120 N246 F247H95-H97 AromaticContact CD2-NE2 3.46Å; H95-H97 PolarHBondContact CD2-NE2 3.25Å; H95-H97 AromaticContact NE2-NE2 3.42Å; H95-H97 PolarHBondContact NE2-NE2 3.11Å; H97-G105 CarbonylContact C-O 3.54Å; H97-G105 VanDerWaalsContact C-O 3.27Å; H97-E107 HydrophobicContact CB-CG 3.94Å; H97-E107 IonicContact CD2-OE2 2.86Å; H97-E107 PolarHBondContact CD2-OE2 3.13Å; H97-E107 IonicContact CE1-OE1 3.33Å; H97-E107 IonicContact CE1-OE2 2.73Å; H97-E107 IonicContact CG-OE2 3.94Å; H97-E107 IonicContact ND1-OE1 3.9Å; H97-E107 IonicContact ND1-OE2 2.83Å; H97-E107 IonicContact NE2-OE2 3.78Å; H97-E107 PolarHBondContact NE2-OE2 2.62Å; H97-S117 CarbonylContact O-C 3.04Å; H97-S117 WeakPolarHBondContact O-CA 3.44Å; H97-S117 WeakPolarHBondContact O-CB 3.16Å; H97-S117 PolarHBondContact O-OG 2.79Å; H97-E118 PolarHBondContact N-O 3.09Å; H97-E118 PolarHBondContact O-N 3.03Å; H97-H120 AromaticContact CD2-CE1 3.48Å; H97-H120 PolarHBondContact CD2-CE1 2.89Å; H97-H120 VanDerWaalsContact CD2-CE1 3.48Å; H97-H120 AromaticContact CD2-ND1 3.58Å; H97-H120 AromaticContact NE2-CE1 3.73Å; H97-H120 AromaticContact NE2-ND1 3.58Å; H97-N246 PolarHBondContact ND1-O 2.84Å; H97-F247 HydrophobicContact CB-CB 4.15Å
98W98.3Very high94.6Very high1 Ų135.3 Ų35.30%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-151.4158.4-178.663.988.2000112.8V67 F96 G105 F227 L230 M243 N245 N246V67-W98 HydrophobicContact CG1-CH2 4.4Å; V67-W98 HydrophobicContact CG1-CZ3 4.32Å; F96-W98 HydrophobicContact CB-CE3 3.74Å; F96-W98 HydrophobicContact CB-CZ3 3.84Å; F96-W98 WeakPolarHBondContact O-CZ3 3.36Å; W98-G105 WeakPolarHBondContact CA-O 3.14Å; W98-G105 PolarHBondContact N-O 2.79Å; W98-F227 HydrophobicContact CD2-CB 3.95Å; W98-F227 HydrophobicContact CD2-CD1 4.39Å; W98-F227 HydrophobicContact CE3-CB 4.39Å; W98-F227 AromaticContact CE3-CD1 3.98Å; W98-F227 HydrophobicContact CE3-CD1 3.98Å; W98-F227 HydrophobicContact CG-CB 4.3Å; W98-F227 HydrophobicContact CH2-CD1 4.15Å; W98-F227 HydrophobicContact CZ2-CB 4.09Å; W98-F227 AromaticContact CZ3-CD1 3.87Å; W98-F227 HydrophobicContact CZ3-CD1 3.87Å; W98-L230 HydrophobicContact CH2-CD1 3.85Å; W98-L230 HydrophobicContact CZ2-CD1 3.95Å; W98-M243 HydrophobicContact CH2-CG 4.02Å; W98-M243 HydrophobicContact CH2-SD 3.38Å; W98-M243 WeakPolarHBondContact CH2-SD 3.21Å; W98-M243 HydrophobicContact CZ2-CB 3.99Å; W98-M243 HydrophobicContact CZ2-CG 3.43Å; W98-M243 VanDerWaalsContact CZ2-CG 3.43Å; W98-M243 HydrophobicContact CZ2-SD 3.4Å; W98-M243 WeakPolarHBondContact CZ2-SD 3.13Å; W98-M243 PolarHBondContact NE1-O 3.31Å; W98-N245 WeakPolarHBondContact O-CA 3.36Å; W98-N245 PolarHBondContact O-N 3.09Å; W98-N246 WeakPolarHBondContact CZ3-ND2 3.46Å; W98-N246 PolarHBondContact N-OD1 3.06Å; W98-N246 PolarHBondContact O-N 2.81Å; W98-N246 PolarHBondContact O-OD1 2.76Å; W98-N246 VanDerWaalsContact O-OD1 3.09Å
99G94.9Very high94.7Very high1 Ų134 Ų341%0.0117%0.17CC..  trans-100.3168.717700000113.7E104 R228 N245G99-E104 VanDerWaalsContact CA-O 3.23Å; G99-E104 WeakPolarHBondContact CA-O 3.46Å; G99-R228 PolarHBondContact O-NE 3.21Å; G99-N245 WeakPolarHBondContact CA-OD1 3.42Å
100E89.8Confident94.6Very high110 Ų11034.9 Ų34.951%0.51418%0.175SC..SBendtrans-64.4-42.4173.9-174.7-177.7172.900112.2R228 E244 N245E100-R228 VanDerWaalsContact O-CD 3.27Å; E100-R228 WeakPolarHBondContact O-CD 3.24Å; E100-R228 PolarHBondContact O-NE 3.46Å; E100-E244 HydrophobicContact CB-CB 4.18Å; E100-E244 HydrophobicContact CB-CG 4.41Å; E100-E244 HydrophobicContact CG-CG 4.41Å; E100-N245 PolarHBondContact N-OD1 2.78Å
101K80.6Confident94.6Very high173 Ų17335.5 Ų35.575%0.75219%0.191SC*.SBendtrans-153.1150.8-176-167.8174.7179.2-177.70112.6
102G77.4Confident94.5Very high28 Ų2837.9 Ų37.929%0.28922%0.215SC..THydrogen-bonded Turntrans69.2-145.9170.100000113.3A116G102-A116 WeakPolarHBondContact O-CB 3.3Å
103C77.8Confident94.4Very high70 Ų7040.8 Ų40.847%0.47323%0.232SC..THydrogen-bonded Turntrans-99.532.8-175-56.90000112.9G114 Y115C103-G114 CarbonylContact O-C 3.52Å; C103-G114 VanDerWaalsContact O-O 3.06Å; C103-Y115 CarbonylContact C-O 3.56Å; C103-Y115 CarbonylContact O-C 3.58Å; C103-Y115 PolarHBondContact O-N 2.89Å
104E89.2Confident94.3Very high148 Ų14840.1 Ų40.169%0.69223%0.234SC*.  trans-121.569.5-178.6-66.7-174.9179.100110.7G99 F247G99-E104 VanDerWaalsContact CA-O 3.23Å; G99-E104 WeakPolarHBondContact CA-O 3.46Å; E104-F247 VanDerWaalsContact O-CE1 3.28Å; E104-F247 WeakPolarHBondContact O-CE1 3.28Å
105G96.1Very high94.3Very high0 Ų042.4 Ų42.40%024%0.243CC..  trans-144.8-14.6-179.100000116.1H97 W98 Y115 A116H97-G105 CarbonylContact C-O 3.54Å; H97-G105 VanDerWaalsContact C-O 3.27Å; W98-G105 WeakPolarHBondContact CA-O 3.14Å; W98-G105 PolarHBondContact N-O 2.79Å; G105-Y115 CarbonylContact C-O 3.6Å; G105-Y115 WeakPolarHBondContact CA-O 3.39Å; G105-Y115 PolarHBondContact N-O 2.96Å; G105-A116 WeakPolarHBondContact CA-O 2.95Å
106S98.5Very high94.3Very high8 Ų841.5 Ų41.56%0.05624%0.238CC..  trans-71.3155.817064.40000111.7H108 Y115 E118S106-H108 WeakPolarHBondContact CB-O 3.29Å; S106-H108 PolarHBondContact OG-O 2.74Å; S106-Y115 PolarHBondContact N-O 2.85Å; S106-Y115 PolarHBondContact OG-N 2.87Å; S106-E118 WeakPolarHBondContact CB-OE2 3.48Å
107E98.7Very high94.3Very high1 Ų141.4 Ų41.41%0.00524%0.238CC..SBendtrans-87.1-50.1175.4-80-158.7128.200110.3P31 H97 E118 H120 T200 F247 R248P31-E107 HydrophobicContact CB-CB 3.8Å; P31-E107 VanDerWaalsContact CB-O 3.28Å; P31-E107 WeakPolarHBondContact CB-O 3.37Å; P31-E107 VanDerWaalsContact CG-C 3.46Å; P31-E107 HydrophobicContact CG-CB 3.71Å; P31-E107 WeakPolarHBondContact CG-O 3.19Å; H97-E107 HydrophobicContact CB-CG 3.94Å; H97-E107 IonicContact CD2-OE2 2.86Å; H97-E107 PolarHBondContact CD2-OE2 3.13Å; H97-E107 IonicContact CE1-OE1 3.33Å; H97-E107 IonicContact CE1-OE2 2.73Å; H97-E107 IonicContact CG-OE2 3.94Å; H97-E107 IonicContact ND1-OE1 3.9Å; H97-E107 IonicContact ND1-OE2 2.83Å; H97-E107 IonicContact NE2-OE2 3.78Å; H97-E107 PolarHBondContact NE2-OE2 2.62Å; E107-E118 PolarHBondContact N-OE2 2.86Å; E107-H120 IonicContact OE2-CE1 2.96Å; E107-H120 PolarHBondContact OE2-CE1 3.21Å; E107-T200 WeakPolarHBondContact OE1-CB 3.42Å; E107-T200 PolarHBondContact OE1-OG1 2.72Å; E107-T200 WeakPolarHBondContact OE2-CB 3.27Å; E107-T200 WeakPolarHBondContact OE2-CG2 3.43Å; E107-T200 PolarHBondContact OE2-OG1 3.35Å; E107-F247 HydrophobicContact CG-CB 3.65Å; E107-R248 WeakPolarHBondContact OE1-CB 3.19Å; E107-R248 PolarHBondContact OE1-N 2.6Å
108H98.9Very high94.3Very high0 Ų041.3 Ų41.30%024%0.238CC..SBendtrans-72.7151.4168.6-65.788.9000110.3I32 S106 E118 F148 Y195 W210I32-H108 PolarHBondContact O-CD2 2.87Å; S106-H108 WeakPolarHBondContact CB-O 3.29Å; S106-H108 PolarHBondContact OG-O 2.74Å; H108-E118 IonicContact CE1-OE1 2.83Å; H108-E118 IonicContact CG-OE1 3.21Å; H108-E118 PolarHBondContact N-OE2 3.49Å; H108-E118 IonicContact ND1-OE1 3.83Å; H108-E118 PolarHBondContact ND1-OE1 3.45Å; H108-E118 IonicContact ND1-OE2 3.43Å; H108-F148 HydrophobicContact CB-CE1 3.76Å; H108-F148 HydrophobicContact CB-CZ 3.65Å; H108-F148 WeakPolarHBondContact O-CE1 3.29Å; H108-Y195 AromaticContact NE2-CE1 3.52Å; H108-Y195 AromaticContact NE2-CZ 3.48Å; H108-Y195 PolarHBondContact NE2-OH 3.22Å; H108-W210 AromaticContact CE1-CD2 3.77Å; H108-W210 AromaticContact CE1-CE3 3.5Å; H108-W210 AromaticContact CE1-CH2 3.85Å; H108-W210 AromaticContact CE1-CZ3 3.53Å
109T98.7Very high94.3Very high19 Ų1941.3 Ų41.312%0.11724%0.238CC..EExtended strand (participates in β ladder)trans-123.2157.7169.256.20000109.3I32 D33 I34 I113 P250I32-T109 PolarHBondContact O-N 2.98Å; D33-T109 WeakPolarHBondContact CA-OG1 3.45Å; D33-T109 VanDerWaalsContact CB-OG1 3.28Å; D33-T109 WeakPolarHBondContact CB-OG1 3.18Å; D33-T109 WeakPolarHBondContact OD1-CB 3.33Å; D33-T109 PolarHBondContact OD1-OG1 3.31Å; I34-T109 PolarHBondContact N-O 3.42Å; T109-I113 CarbonylContact C-O 3.58Å; T109-I113 VanDerWaalsContact CA-O 3.27Å; T109-I113 WeakPolarHBondContact CA-O 3.48Å; T109-I113 WeakPolarHBondContact CB-O 3.49Å; T109-P250 HydrophobicContact CG2-CG 4.12Å
110V98.6Very high94.5Very high19 Ų1941.3 Ų41.312%0.11524%0.238CC..EExtended strand (participates in β ladder)trans-119.1113.3173.7-177.70000107.9I34 P36 G112 I113 Y115 F148 W193I34-V110 CarbonylContact O-C 3.52Å; I34-V110 WeakPolarHBondContact O-CA 3.42Å; P36-V110 HydrophobicContact CG-CG1 3.57Å; V110-G112 PolarHBondContact O-N 3.46Å; V110-I113 PolarHBondContact N-O 3.22Å; V110-I113 WeakPolarHBondContact O-CB 3.45Å; V110-I113 PolarHBondContact O-N 3.48Å; V110-Y115 HydrophobicContact CG2-CE2 4.14Å; V110-F148 HydrophobicContact CG2-CE2 3.81Å; V110-F148 HydrophobicContact CG2-CZ 4.03Å; V110-W193 HydrophobicContact CG1-CH2 4.05Å; V110-W193 HydrophobicContact CG2-CH2 4.1Å; V110-W193 HydrophobicContact CG2-CZ3 4.01Å
111A97.9Very high94.9Very high60 Ų6036.1 Ų36.150%0.49621%0.213SC..THydrogen-bonded Turntrans50.143.9-173.200000112.9D33 I34 I113D33-A111 PolarHBondContact OD1-N 2.91Å; I34-A111 PolarHBondContact O-N 3.34Å; A111-I113 PolarHBondContact O-N 3.37Å
112G97.3Very high95.8Very high50 Ų5028.1 Ų28.152%0.51518%0.179SC..THydrogen-bonded Turntrans76.8-0.7-178.300000115.3D33 V110D33-G112 PolarHBondContact OD1-N 3.22Å; D33-G112 PolarHBondContact OD2-N 3.07Å; V110-G112 PolarHBondContact O-N 3.46Å
113I96.9Very high96.8Very high113 Ų11326.8 Ų26.858%0.57917%0.165SC*.BIsolated β-bridgetrans-92.7123.9179-53.3-58.1000110.1T109 V110 A111T109-I113 CarbonylContact C-O 3.58Å; T109-I113 VanDerWaalsContact CA-O 3.27Å; T109-I113 WeakPolarHBondContact CA-O 3.48Å; T109-I113 WeakPolarHBondContact CB-O 3.49Å; V110-I113 PolarHBondContact N-O 3.22Å; V110-I113 WeakPolarHBondContact O-CB 3.45Å; V110-I113 PolarHBondContact O-N 3.48Å; A111-I113 PolarHBondContact O-N 3.37Å
114G96.8Very high97.8Very high18 Ų1824.1 Ų24.119%0.18615%0.145CC..  trans-85.9163.1170.400000112.9C103C103-G114 CarbonylContact O-C 3.52Å; C103-G114 VanDerWaalsContact O-O 3.06Å
115Y98Very high98.3Very high49 Ų4917.1 Ų17.119%0.19211%0.112CC..  trans-112167.2172.6-70-99.7000110.1C103 G105 S106 V110 S117 F148 E150C103-Y115 CarbonylContact C-O 3.56Å; C103-Y115 CarbonylContact O-C 3.58Å; C103-Y115 PolarHBondContact O-N 2.89Å; G105-Y115 CarbonylContact C-O 3.6Å; G105-Y115 WeakPolarHBondContact CA-O 3.39Å; G105-Y115 PolarHBondContact N-O 2.96Å; S106-Y115 PolarHBondContact N-O 2.85Å; S106-Y115 PolarHBondContact OG-N 2.87Å; V110-Y115 HydrophobicContact CG2-CE2 4.14Å; Y115-S117 VanDerWaalsContact C-N 3.27Å; Y115-S117 PolarHBondContact O-N 3.42Å; Y115-F148 HydrophobicContact CD1-CB 3.71Å; Y115-F148 HydrophobicContact CD1-CG 4.26Å; Y115-F148 HydrophobicContact CD2-CB 3.92Å; Y115-F148 AromaticContact CD2-CD1 3.44Å; Y115-F148 HydrophobicContact CD2-CD1 3.44Å; Y115-F148 VanDerWaalsContact CD2-CD1 3.44Å; Y115-F148 HydrophobicContact CD2-CD2 4.07Å; Y115-F148 AromaticContact CD2-CE1 3.88Å; Y115-F148 HydrophobicContact CD2-CE1 3.88Å; Y115-F148 HydrophobicContact CD2-CE2 4.45Å; Y115-F148 AromaticContact CD2-CG 3.54Å; Y115-F148 HydrophobicContact CD2-CG 3.54Å; Y115-F148 HydrophobicContact CD2-CZ 4.36Å; Y115-F148 HydrophobicContact CE1-CB 4.05Å; Y115-F148 HydrophobicContact CE1-CG 4.45Å; Y115-F148 HydrophobicContact CE2-CB 4.25Å; Y115-F148 HydrophobicContact CE2-CD1 4.05Å; Y115-F148 AromaticContact CE2-CD2 3.83Å; Y115-F148 HydrophobicContact CE2-CD2 3.83Å; Y115-F148 HydrophobicContact CE2-CE1 4.33Å; Y115-F148 HydrophobicContact CE2-CE2 4.13Å; Y115-F148 AromaticContact CE2-CG 3.78Å; Y115-F148 HydrophobicContact CE2-CG 3.78Å; Y115-F148 HydrophobicContact CE2-CZ 4.37Å; Y115-F148 HydrophobicContact CG-CB 3.64Å; Y115-F148 AromaticContact CG-CD1 3.82Å; Y115-F148 HydrophobicContact CG-CD1 3.82Å; Y115-F148 AromaticContact CG-CG 3.81Å; Y115-F148 HydrophobicContact CG-CG 3.81Å; Y115-E150 HydrophobicContact CD1-CB 4.08Å
116A97.8Very high98.4Very high0 Ų018.2 Ų18.20%012%0.121CC..SBendtrans-67.8-28.6-175.100000113.1G102 G105 L149 L151 L224G102-A116 WeakPolarHBondContact O-CB 3.3Å; G105-A116 WeakPolarHBondContact CA-O 2.95Å; A116-L149 WeakPolarHBondContact CB-O 3.07Å; A116-L149 PolarHBondContact N-O 3.08Å; A116-L151 HydrophobicContact CB-CD2 4.19Å; A116-L151 HydrophobicContact CB-CG 3.9Å; A116-L224 HydrophobicContact CB-CD1 3.57Å
117S98.6Very high98.4Very high0 Ų022.1 Ų22.10%015%0.145CC..EExtended strand (participates in β ladder)trans-158.9164.6174.8173.80000110.1H97 Y115 L149H97-S117 CarbonylContact O-C 3.04Å; H97-S117 WeakPolarHBondContact O-CA 3.44Å; H97-S117 WeakPolarHBondContact O-CB 3.16Å; H97-S117 PolarHBondContact O-OG 2.79Å; Y115-S117 VanDerWaalsContact C-N 3.27Å; Y115-S117 PolarHBondContact O-N 3.42Å; S117-L149 PolarHBondContact N-O 3.42Å; S117-L149 PolarHBondContact O-N 3.03Å
118E98.9Very high98.3Very high0 Ų027.3 Ų27.30%017%0.167CC..EExtended strand (participates in β ladder)trans-133.4129.7171.3-166.3177.5144.800110.3F96 H97 S106 E107 H108 H120 I147 F148F96-E118 CarbonylContact C-O 3.48Å; F96-E118 WeakPolarHBondContact CA-O 3.39Å; H97-E118 PolarHBondContact N-O 3.09Å; H97-E118 PolarHBondContact O-N 3.03Å; S106-E118 WeakPolarHBondContact CB-OE2 3.48Å; E107-E118 PolarHBondContact N-OE2 2.86Å; H108-E118 IonicContact CE1-OE1 2.83Å; H108-E118 IonicContact CG-OE1 3.21Å; H108-E118 PolarHBondContact N-OE2 3.49Å; H108-E118 IonicContact ND1-OE1 3.83Å; H108-E118 PolarHBondContact ND1-OE1 3.45Å; H108-E118 IonicContact ND1-OE2 3.43Å; E118-H120 VanDerWaalsContact CD-NE2 3.34Å; E118-H120 IonicContact OE1-CD2 3.6Å; E118-H120 IonicContact OE1-CE1 2.95Å; E118-H120 IonicContact OE1-NE2 3.32Å; E118-H120 PolarHBondContact OE1-NE2 3.08Å; E118-I147 WeakPolarHBondContact CA-O 3.39Å; E118-F148 HydrophobicContact CG-CD1 4.15Å; E118-F148 HydrophobicContact CG-CE1 4.33Å
119L98.9Very high98.3Very high0 Ų028.6 Ų28.60%017%0.172CC..EExtended strand (participates in β ladder)trans-97.1130176.4164.460.1000109.3F94 H95 F96 L121 G146 I147 L149 L185F94-L119 HydrophobicContact CB-CD1 3.9Å; F94-L119 HydrophobicContact CD2-CD1 3.65Å; F94-L119 HydrophobicContact CG-CD1 3.99Å; H95-L119 WeakPolarHBondContact O-CD1 3.25Å; F96-L119 HydrophobicContact CD1-CB 3.8Å; F96-L119 HydrophobicContact CD1-CD1 4.06Å; F96-L119 HydrophobicContact CD1-CG 4.43Å; F96-L119 HydrophobicContact CD2-CD1 4.45Å; F96-L119 HydrophobicContact CE1-CB 3.77Å; F96-L119 HydrophobicContact CE1-CD1 3.73Å; F96-L119 HydrophobicContact CE1-CD2 4.07Å; F96-L119 HydrophobicContact CE1-CG 4.06Å; F96-L119 HydrophobicContact CE2-CD1 4.18Å; F96-L119 HydrophobicContact CG-CD1 4.4Å; F96-L119 HydrophobicContact CZ-CD1 3.8Å; F96-L119 HydrophobicContact CZ-CD2 4.39Å; L119-L121 HydrophobicContact CD1-CD1 3.78Å; L119-L121 HydrophobicContact CD2-CD1 3.82Å; L119-L121 HydrophobicContact CG-CD1 3.54Å; L119-G146 CarbonylContact O-C 3.46Å; L119-G146 WeakPolarHBondContact O-CA 3.29Å; L119-I147 HydrophobicContact CB-CB 4.28Å; L119-I147 HydrophobicContact CD2-CD1 4.1Å; L119-I147 PolarHBondContact N-O 2.76Å; L119-I147 PolarHBondContact O-N 3.43Å; L119-L149 HydrophobicContact CB-CD1 3.77Å; L119-L185 HydrophobicContact CD2-CB 3.93Å; L119-L185 HydrophobicContact CD2-CD1 3.82Å
120H98.9Very high98.3Very high2 Ų236.5 Ų36.51%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-114.7118.1175.4-67.1170.4000111F94 H95 H97 E107 E118 V144 W210F94-H120 CarbonylContact C-O 3.52Å; F94-H120 WeakPolarHBondContact CA-O 3.46Å; F94-H120 WeakPolarHBondContact CB-O 3.45Å; H95-H120 PolarHBondContact N-O 2.85Å; H95-H120 AromaticContact NE2-ND1 3.7Å; H95-H120 PolarHBondContact O-N 3.13Å; H97-H120 AromaticContact CD2-CE1 3.48Å; H97-H120 PolarHBondContact CD2-CE1 2.89Å; H97-H120 VanDerWaalsContact CD2-CE1 3.48Å; H97-H120 AromaticContact CD2-ND1 3.58Å; H97-H120 AromaticContact NE2-CE1 3.73Å; H97-H120 AromaticContact NE2-ND1 3.58Å; E107-H120 IonicContact OE2-CE1 2.96Å; E107-H120 PolarHBondContact OE2-CE1 3.21Å; E118-H120 VanDerWaalsContact CD-NE2 3.34Å; E118-H120 IonicContact OE1-CD2 3.6Å; E118-H120 IonicContact OE1-CE1 2.95Å; E118-H120 IonicContact OE1-NE2 3.32Å; E118-H120 PolarHBondContact OE1-NE2 3.08Å; H120-V144 HydrophobicContact CB-CG1 3.83Å; H120-W210 AromaticContact CD2-CH2 3.86Å; H120-W210 AromaticContact CD2-CZ3 3.77Å; H120-W210 AromaticContact CE1-CH2 3.38Å; H120-W210 WeakPolarHBondContact CE1-CH2 3.16Å; H120-W210 AromaticContact CG-CH2 3.97Å; H120-W210 AromaticContact ND1-CH2 3.66Å; H120-W210 AromaticContact NE2-CH2 3.48Å; H120-W210 WeakPolarHBondContact NE2-CH2 3.48Å; H120-W210 AromaticContact NE2-CZ3 3.61Å
121L98.9Very high98.3Very high1 Ų138.6 Ų38.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-96.2112.9167.2-71.164.7000108.2Y52 L91 F94 L119 H123 V144 L145 I147 P182Y52-L121 HydrophobicContact CE2-CD2 3.77Å; Y52-L121 WeakPolarHBondContact OH-CD2 3.39Å; L91-L121 HydrophobicContact CD1-CB 4.04Å; L91-L121 HydrophobicContact CD1-CG 4.49Å; F94-L121 HydrophobicContact CB-CB 4.4Å; F94-L121 HydrophobicContact CB-CD1 4.16Å; F94-L121 HydrophobicContact CB-CG 3.91Å; L119-L121 HydrophobicContact CD1-CD1 3.78Å; L119-L121 HydrophobicContact CD2-CD1 3.82Å; L119-L121 HydrophobicContact CG-CD1 3.54Å; L121-H123 PolarHBondContact O-CE1 3.23Å; L121-H123 VanDerWaalsContact O-CE1 3.26Å; L121-H123 PolarHBondContact O-ND1 3.05Å; L121-V144 WeakPolarHBondContact O-CA 3.34Å; L121-L145 HydrophobicContact CB-CB 4.26Å; L121-L145 HydrophobicContact CD2-CD2 4.38Å; L121-L145 PolarHBondContact N-O 2.92Å; L121-L145 PolarHBondContact O-N 2.95Å; L121-I147 HydrophobicContact CD1-CD1 4.07Å; L121-P182 HydrophobicContact CD2-CB 3.99Å; L121-P182 HydrophobicContact CD2-CG 4.43Å
122V98.9Very high98.3Very high4 Ų437.8 Ų37.82%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-96.2125.5-173.9-176.70000110.4K92 Q93 F132 V144K92-V122 PolarHBondContact N-O 2.92Å; Q93-V122 HydrophobicContact CG-CB 4.27Å; Q93-V122 VanDerWaalsContact NE2-CG2 3.3Å; Q93-V122 PolarHBondContact O-N 3.05Å; V122-F132 HydrophobicContact CG1-CE2 4.17Å; V122-F132 HydrophobicContact CG1-CZ 4.33Å; V122-V144 HydrophobicContact CB-CG2 4.5Å; V122-V144 HydrophobicContact CG1-CG2 4.3Å; V122-V144 HydrophobicContact CG2-CG2 4.15Å
123H98.9Very high98.3Very high0 Ų041.4 Ų41.40%021%0.207CC..EExtended strand (participates in β ladder)trans-124.9158179.7-46.275.3000111.5Y52 I80 R90 L91 L121 L142 A143Y52-H123 AromaticContact CE1-NE2 3.62Å; Y52-H123 AromaticContact CZ-NE2 3.58Å; Y52-H123 PolarHBondContact OH-CE1 3.39Å; Y52-H123 VanDerWaalsContact OH-CE1 3.22Å; Y52-H123 PolarHBondContact OH-NE2 3.1Å; I80-H123 HydrophobicContact CG2-CB 3.86Å; I80-H123 VanDerWaalsContact CG2-CD2 3.43Å; I80-H123 WeakPolarHBondContact CG2-CD2 3.34Å; I80-H123 VanDerWaalsContact CG2-CG 3.45Å; R90-H123 CarbonylContact O-C 3.43Å; R90-H123 WeakPolarHBondContact O-CA 3.34Å; R90-H123 WeakPolarHBondContact O-CB 3.36Å; L91-H123 VanDerWaalsContact CA-CD2 3.46Å; L91-H123 WeakPolarHBondContact CA-CD2 3.39Å; L121-H123 PolarHBondContact O-CE1 3.23Å; L121-H123 VanDerWaalsContact O-CE1 3.26Å; L121-H123 PolarHBondContact O-ND1 3.05Å; H123-L142 VanDerWaalsContact O-CA 3.29Å; H123-L142 WeakPolarHBondContact O-CA 3.36Å; H123-A143 WeakPolarHBondContact CA-O 3.32Å; H123-A143 HydrophobicContact CB-CB 4.44Å; H123-A143 WeakPolarHBondContact CB-O 3.48Å; H123-A143 PolarHBondContact N-O 2.89Å; H123-A143 PolarHBondContact ND1-O 3.09Å; H123-A143 PolarHBondContact O-N 3.44Å
124W98.9Very high98.3Very high15 Ų1540.1 Ų40.16%0.05720%0.198CC..EExtended strand (participates in β ladder)trans-136.5149.9179.271.3-75.6000113.7D73 Y89 R90 A126 Y129 T131 F132 A135 G141 L142D73-W124 PolarHBondContact OD2-NE1 3.32Å; Y89-W124 CarbonylContact C-O 3.56Å; Y89-W124 VanDerWaalsContact CA-O 3.25Å; Y89-W124 WeakPolarHBondContact CA-O 3.38Å; Y89-W124 VanDerWaalsContact CD1-C 3.45Å; R90-W124 PolarHBondContact N-O 3.24Å; R90-W124 PolarHBondContact O-N 2.9Å; W124-A126 HydrophobicContact CD2-CB 4.22Å; W124-A126 HydrophobicContact CE3-CB 4.04Å; W124-A126 HydrophobicContact CH2-CB 3.64Å; W124-A126 HydrophobicContact CZ2-CB 3.84Å; W124-A126 HydrophobicContact CZ3-CB 3.75Å; W124-A126 PolarHBondContact O-N 3.39Å; W124-Y129 WeakPolarHBondContact CZ3-O 3.45Å; W124-T131 WeakPolarHBondContact CZ3-O 3.48Å; W124-F132 HydrophobicContact CB-CD2 3.75Å; W124-F132 HydrophobicContact CB-CE2 4.17Å; W124-F132 AromaticContact CD1-CD2 3.79Å; W124-F132 HydrophobicContact CD2-CB 4.34Å; W124-F132 HydrophobicContact CD2-CD2 4.4Å; W124-F132 AromaticContact CG-CD2 3.72Å; W124-F132 HydrophobicContact CG-CD2 3.72Å; W124-A135 HydrophobicContact CB-CB 4.2Å; W124-A135 HydrophobicContact CE3-CB 3.96Å; W124-G141 CarbonylContact C-O 3.58Å; W124-G141 VanDerWaalsContact CA-O 3.31Å; W124-G141 WeakPolarHBondContact CA-O 3.49Å; W124-L142 HydrophobicContact CB-CD2 3.66Å
125N98.7Very high98.4Very high1 Ų139.2 Ų39.21%0.00519%0.189CC..  trans-81.477.6-175.6-165.5-23.8000111.5N87 Y89 V127 K128 Y129 G141N87-N125 PolarHBondContact ND2-ND2 3.08Å; N87-N125 PolarHBondContact ND2-OD1 2.99Å; Y89-N125 HydrophobicContact CD1-CB 3.9Å; Y89-N125 HydrophobicContact CE1-CB 3.49Å; Y89-N125 VanDerWaalsContact CE1-CB 3.49Å; Y89-N125 HydrophobicContact CE2-CB 4.11Å; Y89-N125 HydrophobicContact CG-CB 4.38Å; Y89-N125 PolarHBondContact OH-ND2 2.96Å; N125-V127 PolarHBondContact O-N 2.85Å; N125-V127 WeakPolarHBondContact OD1-CB 3.37Å; N125-V127 PolarHBondContact OD1-N 2.79Å; N125-K128 PolarHBondContact O-N 2.89Å; N125-K128 PolarHBondContact OD1-N 3.46Å; N125-K128 VanDerWaalsContact OD1-N 3.13Å; N125-Y129 HydrophobicContact CB-CD2 3.99Å; N125-Y129 HydrophobicContact CB-CE2 4.28Å; N125-Y129 PolarHBondContact O-N 3.49Å; N125-G141 PolarHBondContact N-O 2.95Å
126A98.4Very high98.4Very high22 Ų2237.4 Ų37.418%0.18218%0.184CC..THydrogen-bonded Turntrans-69.2-9.2177.600000113.9R90 W124R90-A126 HydrophobicContact CG-CB 3.98Å; W124-A126 HydrophobicContact CD2-CB 4.22Å; W124-A126 HydrophobicContact CE3-CB 4.04Å; W124-A126 HydrophobicContact CH2-CB 3.64Å; W124-A126 HydrophobicContact CZ2-CB 3.84Å; W124-A126 HydrophobicContact CZ3-CB 3.75Å; W124-A126 PolarHBondContact O-N 3.39Å
127V98.3Very high98.4Very high91 Ų9141.8 Ų41.855%0.55221%0.211SC*.THydrogen-bonded Turntrans-74.4-37.3172.1177.80000110.7N87 N125N87-V127 HydrophobicContact CB-CB 4.18Å; N87-V127 HydrophobicContact CB-CG2 4.21Å; N125-V127 PolarHBondContact O-N 2.85Å; N125-V127 WeakPolarHBondContact OD1-CB 3.37Å; N125-V127 PolarHBondContact OD1-N 2.79Å
128K98.3Very high98.4Very high109 Ų10942.3 Ų42.347%0.47422%0.215SC..THydrogen-bonded Turntrans-99.5-32.8-174.5-169.6176.7178-165.90113.6N125 D140N125-K128 PolarHBondContact O-N 2.89Å; N125-K128 PolarHBondContact OD1-N 3.46Å; N125-K128 VanDerWaalsContact OD1-N 3.13Å; K128-D140 IonicContact NZ-OD1 2.8Å; K128-D140 PolarHBondContact NZ-OD1 2.82Å; K128-D140 IonicContact NZ-OD2 2.65Å; K128-D140 PolarHBondContact NZ-OD2 3.07Å
129Y98.4Very high98.2Very high27 Ų2745.8 Ų45.811%0.10624%0.238CC..  trans-117.7147.7-175-56.8-69.5000111.1W124 N125 E134 A135 A138 D140W124-Y129 WeakPolarHBondContact CZ3-O 3.45Å; N125-Y129 HydrophobicContact CB-CD2 3.99Å; N125-Y129 HydrophobicContact CB-CE2 4.28Å; N125-Y129 PolarHBondContact O-N 3.49Å; Y129-E134 HydrophobicContact CD1-CG 3.84Å; Y129-E134 HydrophobicContact CG-CG 4.45Å; Y129-A135 HydrophobicContact CD2-CB 3.71Å; Y129-A135 HydrophobicContact CG-CB 3.91Å; Y129-A138 HydrophobicContact CD1-CB 4.32Å; Y129-A138 HydrophobicContact CE1-CB 3.49Å; Y129-A138 VanDerWaalsContact CE1-CB 3.49Å; Y129-A138 HydrophobicContact CE2-CB 3.91Å; Y129-A138 VanDerWaalsContact OH-CB 3.24Å; Y129-A138 WeakPolarHBondContact OH-CB 3.48Å; Y129-D140 PolarHBondContact OH-OD1 3.34Å
130K97.8Very high98.1Very high186 Ų18647.3 Ų47.381%0.80925%0.246SC*.SBendtrans-81.7-30-175.7-66.9-179.1179.9176.20112.8E134K130-E134 PolarHBondContact N-OE2 2.66Å
131T98.3Very high98.1Very high62 Ų6247.2 Ų47.238%0.3825%0.246SC..SBendtrans-135.8161.5179.984.10000111.7W124 E133 E134 A135W124-T131 WeakPolarHBondContact CZ3-O 3.48Å; T131-E133 VanDerWaalsContact C-N 3.27Å; T131-E133 VanDerWaalsContact CB-OE2 3.23Å; T131-E133 WeakPolarHBondContact CB-OE2 3.44Å; T131-E133 PolarHBondContact O-N 2.76Å; T131-E133 PolarHBondContact OG1-N 2.92Å; T131-E133 PolarHBondContact OG1-OE2 3.36Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 PolarHBondContact OG1-N 2.84Å; T131-A135 PolarHBondContact O-N 2.91Å; T131-A135 VanDerWaalsContact O-N 3.09Å
132F98Very high98.1Very high44 Ų4447.2 Ų47.219%0.19325%0.245CC..Hα-helixtrans-59.9-39.6174.8179.2-90.3000111.5K92 V122 W124 A135 A136 L142K92-F132 HydrophobicContact CB-CD2 4.19Å; K92-F132 HydrophobicContact CB-CE2 4.07Å; K92-F132 HydrophobicContact CD-CD2 4.26Å; K92-F132 HydrophobicContact CG-CD2 3.95Å; K92-F132 HydrophobicContact CG-CE2 3.97Å; V122-F132 HydrophobicContact CG1-CE2 4.17Å; V122-F132 HydrophobicContact CG1-CZ 4.33Å; W124-F132 HydrophobicContact CB-CD2 3.75Å; W124-F132 HydrophobicContact CB-CE2 4.17Å; W124-F132 AromaticContact CD1-CD2 3.79Å; W124-F132 HydrophobicContact CD2-CB 4.34Å; W124-F132 HydrophobicContact CD2-CD2 4.4Å; W124-F132 AromaticContact CG-CD2 3.72Å; W124-F132 HydrophobicContact CG-CD2 3.72Å; F132-A135 PolarHBondContact O-N 2.74Å; F132-A136 HydrophobicContact CD1-CB 4.43Å; F132-A136 HydrophobicContact CE1-CB 4.13Å; F132-A136 VanDerWaalsContact O-CB 3.25Å; F132-A136 WeakPolarHBondContact O-CB 3.48Å; F132-A136 PolarHBondContact O-N 2.88Å; F132-L142 HydrophobicContact CD2-CD2 4.23Å; F132-L142 HydrophobicContact CE2-CD2 3.68Å; F132-L142 HydrophobicContact CZ-CD1 4.47Å; F132-L142 HydrophobicContact CZ-CD2 4.08Å
133E97.6Very high98.1Very high126 Ų12647 Ų4759%0.58924%0.244SC*.Hα-helixtrans-65.2-41.1-179.1-59.672.1-157.600111.7T131 A136T131-E133 VanDerWaalsContact C-N 3.27Å; T131-E133 VanDerWaalsContact CB-OE2 3.23Å; T131-E133 WeakPolarHBondContact CB-OE2 3.44Å; T131-E133 PolarHBondContact O-N 2.76Å; T131-E133 PolarHBondContact OG1-N 2.92Å; T131-E133 PolarHBondContact OG1-OE2 3.36Å; E133-A136 PolarHBondContact O-N 2.78Å
134E98.2Very high98.1Very high85 Ų8547.1 Ų47.140%0.39725%0.245SC..Hα-helixtrans-61.5-50.6173.8-173.2-173.8-175.800110.1Y129 K130 T131 A136 T137 A138Y129-E134 HydrophobicContact CD1-CG 3.84Å; Y129-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 PolarHBondContact N-OE2 2.66Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 PolarHBondContact OG1-N 2.84Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.22Å; E134-T137 PolarHBondContact O-N 2.8Å; E134-T137 PolarHBondContact O-OG1 2.8Å; E134-A138 PolarHBondContact O-N 2.91Å
135A98.5Very high98.1Very high0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-59-42.4177.900000112.2W124 Y129 T131 F132 T137 A138 G141 L142W124-A135 HydrophobicContact CB-CB 4.2Å; W124-A135 HydrophobicContact CE3-CB 3.96Å; Y129-A135 HydrophobicContact CD2-CB 3.71Å; Y129-A135 HydrophobicContact CG-CB 3.91Å; T131-A135 PolarHBondContact O-N 2.91Å; T131-A135 VanDerWaalsContact O-N 3.09Å; F132-A135 PolarHBondContact O-N 2.74Å; A135-T137 PolarHBondContact O-N 3.06Å; A135-A138 PolarHBondContact O-N 2.94Å; A135-G141 VanDerWaalsContact O-CA 3.28Å; A135-G141 WeakPolarHBondContact O-CA 3.4Å; A135-L142 HydrophobicContact CB-CD2 4.34Å
136A97.8Very high98.1Very high10 Ų1046.4 Ų46.48%0.08324%0.242CC..Hα-helixtrans-62.7-17.1-178.100000113.7F132 E133 E134 L142 H205 S207F132-A136 HydrophobicContact CD1-CB 4.43Å; F132-A136 HydrophobicContact CE1-CB 4.13Å; F132-A136 VanDerWaalsContact O-CB 3.25Å; F132-A136 WeakPolarHBondContact O-CB 3.48Å; F132-A136 PolarHBondContact O-N 2.88Å; E133-A136 PolarHBondContact O-N 2.78Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.22Å; A136-L142 HydrophobicContact CB-CD1 4.11Å; A136-L142 HydrophobicContact CB-CD2 4.46Å; A136-H205 WeakPolarHBondContact O-CB 3.36Å; A136-H205 PolarHBondContact O-CD2 3.02Å; A136-S207 WeakPolarHBondContact O-CB 3.28Å; A136-S207 PolarHBondContact O-OG 3.4Å
137T97.2Very high98.2Very high93 Ų9345.3 Ų45.357%0.57123%0.234SC*.Hα-helixtrans-99.3-7.9175.564.70000113.7E134 A135E134-T137 PolarHBondContact O-N 2.8Å; E134-T137 PolarHBondContact O-OG1 2.8Å; A135-T137 PolarHBondContact O-N 3.06Å
138A98Very high98.2Very high10 Ų1041 Ų418%0.08321%0.207CC..SBendtrans-100.1143.6-174.900000112.2Y129 E134 A135 D140 G141 S207Y129-A138 HydrophobicContact CD1-CB 4.32Å; Y129-A138 HydrophobicContact CE1-CB 3.49Å; Y129-A138 VanDerWaalsContact CE1-CB 3.49Å; Y129-A138 HydrophobicContact CE2-CB 3.91Å; Y129-A138 VanDerWaalsContact OH-CB 3.24Å; Y129-A138 WeakPolarHBondContact OH-CB 3.48Å; E134-A138 PolarHBondContact O-N 2.91Å; A135-A138 PolarHBondContact O-N 2.94Å; A138-D140 PolarHBondContact O-N 3.45Å; A138-D140 VanDerWaalsContact O-N 3.08Å; A138-G141 PolarHBondContact O-N 2.76Å; A138-S207 WeakPolarHBondContact O-CA 3.41Å; A138-S207 WeakPolarHBondContact O-CB 3.4Å
139P95.9Very high98.2Very high73 Ų7335.8 Ų35.847%0.47419%0.185SC..THydrogen-bonded Turntrans-62.3-24.3-167.324.2-35.4000115.5
140D97.3Very high98.1Very high33 Ų3338.1 Ų38.118%0.17620%0.196CC..THydrogen-bonded Turntrans-119.817.7177.364.1-43.2000111.9Y89 K128 Y129 A138 I209Y89-D140 WeakPolarHBondContact CE1-O 3.32Å; Y89-D140 PolarHBondContact OH-O 3.19Å; K128-D140 IonicContact NZ-OD1 2.8Å; K128-D140 PolarHBondContact NZ-OD1 2.82Å; K128-D140 IonicContact NZ-OD2 2.65Å; K128-D140 PolarHBondContact NZ-OD2 3.07Å; Y129-D140 PolarHBondContact OH-OD1 3.34Å; A138-D140 PolarHBondContact O-N 3.45Å; A138-D140 VanDerWaalsContact O-N 3.08Å; D140-I209 HydrophobicContact CB-CD1 4.29Å
141G98.5Very high98.1Very high0 Ų032.3 Ų32.30%017%0.174CC..SBendtrans-77-26.2-173.100000114.2W124 N125 A135 A138W124-G141 CarbonylContact C-O 3.58Å; W124-G141 VanDerWaalsContact CA-O 3.31Å; W124-G141 WeakPolarHBondContact CA-O 3.49Å; N125-G141 PolarHBondContact N-O 2.95Å; A135-G141 VanDerWaalsContact O-CA 3.28Å; A135-G141 WeakPolarHBondContact O-CA 3.4Å; A138-G141 PolarHBondContact O-N 2.76Å
142L98.9Very high98.1Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-118148.5-179.5-54.4-177.6000112.3H123 W124 F132 A135 A136 L199 S207 V208 I209H123-L142 VanDerWaalsContact O-CA 3.29Å; H123-L142 WeakPolarHBondContact O-CA 3.36Å; W124-L142 HydrophobicContact CB-CD2 3.66Å; F132-L142 HydrophobicContact CD2-CD2 4.23Å; F132-L142 HydrophobicContact CE2-CD2 3.68Å; F132-L142 HydrophobicContact CZ-CD1 4.47Å; F132-L142 HydrophobicContact CZ-CD2 4.08Å; A135-L142 HydrophobicContact CB-CD2 4.34Å; A136-L142 HydrophobicContact CB-CD1 4.11Å; A136-L142 HydrophobicContact CB-CD2 4.46Å; L142-L199 HydrophobicContact CD1-CD1 4.46Å; L142-L199 HydrophobicContact CD1-CD2 3.8Å; L142-L199 HydrophobicContact CD1-CG 4.23Å; L142-S207 WeakPolarHBondContact CB-O 3.32Å; L142-S207 PolarHBondContact N-O 2.81Å; L142-V208 HydrophobicContact CB-CG2 4.07Å; L142-V208 HydrophobicContact CD1-CG2 4.13Å; L142-I209 PolarHBondContact O-N 2.69Å
143A98.9Very high98Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-127.6126.9167.600000108.9L85 Y89 H123 I209L85-A143 HydrophobicContact CD1-CB 4.05Å; L85-A143 HydrophobicContact CD2-CB 3.72Å; Y89-A143 HydrophobicContact CD1-CB 3.54Å; Y89-A143 HydrophobicContact CE1-CB 3.94Å; Y89-A143 HydrophobicContact CG-CB 3.89Å; H123-A143 WeakPolarHBondContact CA-O 3.32Å; H123-A143 HydrophobicContact CB-CB 4.44Å; H123-A143 WeakPolarHBondContact CB-O 3.48Å; H123-A143 PolarHBondContact N-O 2.89Å; H123-A143 PolarHBondContact ND1-O 3.09Å; H123-A143 PolarHBondContact O-N 3.44Å; A143-I209 WeakPolarHBondContact CA-O 3.23Å
144V98.9Very high98.1Very high3 Ų334.5 Ų34.52%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-118.1122.4179.8-178.40000109.6H120 L121 V122 V208 I209 W210 I211H120-V144 HydrophobicContact CB-CG1 3.83Å; L121-V144 WeakPolarHBondContact O-CA 3.34Å; V122-V144 HydrophobicContact CB-CG2 4.5Å; V122-V144 HydrophobicContact CG1-CG2 4.3Å; V122-V144 HydrophobicContact CG2-CG2 4.15Å; V144-V208 HydrophobicContact CB-CG1 3.81Å; V144-V208 HydrophobicContact CG2-CG1 3.52Å; V144-V208 HydrophobicContact CG2-CG2 4.4Å; V144-I209 PolarHBondContact N-O 2.93Å; V144-W210 HydrophobicContact CB-CD2 4.34Å; V144-W210 HydrophobicContact CB-CE3 4.06Å; V144-W210 HydrophobicContact CB-CH2 4.08Å; V144-W210 HydrophobicContact CB-CZ2 4.36Å; V144-W210 HydrophobicContact CB-CZ3 3.95Å; V144-W210 HydrophobicContact CG1-CE3 3.99Å; V144-W210 HydrophobicContact CG1-CH2 3.54Å; V144-W210 HydrophobicContact CG1-CZ2 4.26Å; V144-W210 HydrophobicContact CG1-CZ3 3.39Å; V144-I211 PolarHBondContact O-N 3Å
145L98.9Very high98.1Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-90.6110.2170.7-177.669.8000108.4I48 L50 I80 L121 I147 L186 I211 L213I48-L145 HydrophobicContact CD1-CD1 3.93Å; L50-L145 HydrophobicContact CD1-CD2 3.99Å; L50-L145 HydrophobicContact CD2-CD2 4.05Å; I80-L145 HydrophobicContact CD1-CB 4.46Å; L121-L145 HydrophobicContact CB-CB 4.26Å; L121-L145 HydrophobicContact CD2-CD2 4.38Å; L121-L145 PolarHBondContact N-O 2.92Å; L121-L145 PolarHBondContact O-N 2.95Å; L145-I147 HydrophobicContact CD2-CD1 4.34Å; L145-I147 HydrophobicContact CG-CG1 4.33Å; L145-L186 HydrophobicContact CD2-CD2 3.93Å; L145-I211 CarbonylContact C-O 3.48Å; L145-I211 VanDerWaalsContact CA-O 3.29Å; L145-I211 WeakPolarHBondContact CA-O 3.18Å; L145-I211 HydrophobicContact CD1-CB 4.11Å; L145-I211 HydrophobicContact CD1-CG2 3.64Å; L145-L213 HydrophobicContact CD1-CD1 4.3Å; L145-L213 HydrophobicContact CD1-CD2 3.74Å; L145-L213 HydrophobicContact CD1-CG 3.8Å
146G98.9Very high98Very high0 Ų040.2 Ų40.20%022%0.218CC..EExtended strand (participates in β ladder)trans-93.5133.2175.900000111.5L119 I211 L213L119-G146 CarbonylContact O-C 3.46Å; L119-G146 WeakPolarHBondContact O-CA 3.29Å; G146-I211 PolarHBondContact N-O 3.22Å; G146-L213 PolarHBondContact O-N 2.85Å
147I98.9Very high97.9Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-132121-179.2-49.8175.5000108.2E118 L119 L121 L145 L149 L186 L213 I217E118-I147 WeakPolarHBondContact CA-O 3.39Å; L119-I147 HydrophobicContact CB-CB 4.28Å; L119-I147 HydrophobicContact CD2-CD1 4.1Å; L119-I147 PolarHBondContact N-O 2.76Å; L119-I147 PolarHBondContact O-N 3.43Å; L121-I147 HydrophobicContact CD1-CD1 4.07Å; L145-I147 HydrophobicContact CD2-CD1 4.34Å; L145-I147 HydrophobicContact CG-CG1 4.33Å; I147-L149 WeakPolarHBondContact O-CD1 3.39Å; I147-L186 HydrophobicContact CD1-CD2 3.55Å; I147-L213 HydrophobicContact CD1-CD1 4.3Å; I147-L213 HydrophobicContact CG1-CD1 3.95Å; I147-L213 HydrophobicContact CG1-CG 4.37Å; I147-I217 HydrophobicContact CG2-CG1 4.36Å; I147-I217 HydrophobicContact CG2-CG2 4.11Å
148F98.8Very high97.9Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-74.8143.5175.5-65-59.9000111.6H108 V110 Y115 E118 V212 S216 I217H108-F148 HydrophobicContact CB-CE1 3.76Å; H108-F148 HydrophobicContact CB-CZ 3.65Å; H108-F148 WeakPolarHBondContact O-CE1 3.29Å; V110-F148 HydrophobicContact CG2-CE2 3.81Å; V110-F148 HydrophobicContact CG2-CZ 4.03Å; Y115-F148 HydrophobicContact CD1-CB 3.71Å; Y115-F148 HydrophobicContact CD1-CG 4.26Å; Y115-F148 HydrophobicContact CD2-CB 3.92Å; Y115-F148 AromaticContact CD2-CD1 3.44Å; Y115-F148 HydrophobicContact CD2-CD1 3.44Å; Y115-F148 VanDerWaalsContact CD2-CD1 3.44Å; Y115-F148 HydrophobicContact CD2-CD2 4.07Å; Y115-F148 AromaticContact CD2-CE1 3.88Å; Y115-F148 HydrophobicContact CD2-CE1 3.88Å; Y115-F148 HydrophobicContact CD2-CE2 4.45Å; Y115-F148 AromaticContact CD2-CG 3.54Å; Y115-F148 HydrophobicContact CD2-CG 3.54Å; Y115-F148 HydrophobicContact CD2-CZ 4.36Å; Y115-F148 HydrophobicContact CE1-CB 4.05Å; Y115-F148 HydrophobicContact CE1-CG 4.45Å; Y115-F148 HydrophobicContact CE2-CB 4.25Å; Y115-F148 HydrophobicContact CE2-CD1 4.05Å; Y115-F148 AromaticContact CE2-CD2 3.83Å; Y115-F148 HydrophobicContact CE2-CD2 3.83Å; Y115-F148 HydrophobicContact CE2-CE1 4.33Å; Y115-F148 HydrophobicContact CE2-CE2 4.13Å; Y115-F148 AromaticContact CE2-CG 3.78Å; Y115-F148 HydrophobicContact CE2-CG 3.78Å; Y115-F148 HydrophobicContact CE2-CZ 4.37Å; Y115-F148 HydrophobicContact CG-CB 3.64Å; Y115-F148 AromaticContact CG-CD1 3.82Å; Y115-F148 HydrophobicContact CG-CD1 3.82Å; Y115-F148 AromaticContact CG-CG 3.81Å; Y115-F148 HydrophobicContact CG-CG 3.81Å; E118-F148 HydrophobicContact CG-CD1 4.15Å; E118-F148 HydrophobicContact CG-CE1 4.33Å; F148-V212 HydrophobicContact CD2-CG1 4.39Å; F148-V212 HydrophobicContact CE2-CG1 3.56Å; F148-V212 HydrophobicContact CZ-CG1 3.74Å; F148-S216 CarbonylContact O-C 3.39Å; F148-S216 VanDerWaalsContact O-CA 3.25Å; F148-S216 WeakPolarHBondContact O-CA 3.46Å; F148-S216 WeakPolarHBondContact O-CB 3.37Å; F148-I217 PolarHBondContact O-N 2.85Å
149L98.6Very high97.8Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-114.7121.6173.7-78.567.2000108.9F96 A116 S117 L119 I147 I217 V219 L224F96-L149 HydrophobicContact CD1-CD2 4.15Å; F96-L149 HydrophobicContact CE1-CD2 4.07Å; A116-L149 WeakPolarHBondContact CB-O 3.07Å; A116-L149 PolarHBondContact N-O 3.08Å; S117-L149 PolarHBondContact N-O 3.42Å; S117-L149 PolarHBondContact O-N 3.03Å; L119-L149 HydrophobicContact CB-CD1 3.77Å; I147-L149 WeakPolarHBondContact O-CD1 3.39Å; L149-I217 WeakPolarHBondContact CA-O 3.39Å; L149-I217 HydrophobicContact CD1-CD1 4.02Å; L149-I217 HydrophobicContact CD1-CG1 3.97Å; L149-I217 HydrophobicContact CG-CD1 3.95Å; L149-I217 HydrophobicContact CG-CG1 3.74Å; L149-V219 HydrophobicContact CB-CG1 4.4Å; L149-V219 HydrophobicContact CB-CG2 4.04Å; L149-V219 HydrophobicContact CD2-CG1 3.83Å; L149-V219 HydrophobicContact CD2-CG2 4.29Å; L149-V219 HydrophobicContact CG-CG1 4.03Å; L149-V219 HydrophobicContact CG-CG2 4.49Å; L149-L224 HydrophobicContact CD2-CD2 4.47Å
150E97.3Very high97.7Very high75 Ų7542.9 Ų42.935%0.3521%0.211SC..EExtended strand (participates in β ladder)trans-111155.7176.373.9-169145.300112.1Y115 S216 I217 V218 V219Y115-E150 HydrophobicContact CD1-CB 4.08Å; E150-S216 PolarHBondContact OE1-OG 3.08Å; E150-I217 PolarHBondContact N-O 3.05Å; E150-V218 HydrophobicContact CG-CG2 4.06Å; E150-V219 PolarHBondContact O-N 3.04Å
151L97.2Very high97.7Very high65 Ų6541.4 Ų41.434%0.3420%0.203SC..EExtended strand (participates in β ladder)trans-76.4131.1-179.1-68.9174.9000111.5A116 V219 D221 L224A116-L151 HydrophobicContact CB-CD2 4.19Å; A116-L151 HydrophobicContact CB-CG 3.9Å; L151-V219 CarbonylContact C-O 3.6Å; L151-V219 WeakPolarHBondContact CA-O 3.34Å; L151-D221 HydrophobicContact CD2-CB 4.1Å; L151-L224 HydrophobicContact CD2-CD1 3.78Å
152G96.9Very high97.7Very high41 Ų4141.9 Ų41.942%0.42321%0.206SC..SBendtrans-175-129.7171.600000111V218 V219 S220G152-V218 VanDerWaalsContact CA-CG1 3.44Å; G152-V219 PolarHBondContact N-O 2.83Å; G152-S220 WeakPolarHBondContact O-CA 3.29Å
153D97.8Very high97.5Very high139 Ų13946.4 Ų46.474%0.74323%0.23SC*.SBendtrans-73.2164.2179-68.4-35.9000113.2H155 V218 V219 S220D153-H155 PolarHBondContact O-N 2.85Å; D153-V218 VanDerWaalsContact N-CG1 3.33Å; D153-V219 CarbonylContact O-C 3.53Å; D153-V219 VanDerWaalsContact O-C 3.23Å; D153-V219 WeakPolarHBondContact O-CA 3.13Å; D153-S220 PolarHBondContact O-N 2.94Å
154D98.1Very high97.5Very high97 Ų9747 Ų4752%0.51924%0.236SC..PPolyproline II helixtrans-58.7123.9174.6-84.99.4000110.9R156 S220D154-R156 PolarHBondContact O-N 3.08Å; D154-S220 WeakPolarHBondContact OD1-CB 3.37Å; D154-S220 PolarHBondContact OD1-OG 3.35Å
155H98.3Very high97.4Very high27 Ų2747.1 Ų47.113%0.12524%0.236CC..PPolyproline II helixtrans-69.6116.5169.3-168-88.3000109.6D153 W157 L158 C184 V218 V219 Q223D153-H155 PolarHBondContact O-N 2.85Å; H155-W157 PolarHBondContact ND1-N 3.23Å; H155-W157 PolarHBondContact O-N 2.92Å; H155-L158 HydrophobicContact CB-CB 3.78Å; H155-L158 HydrophobicContact CB-CD2 4.43Å; H155-L158 PolarHBondContact ND1-N 3.22Å; H155-L158 PolarHBondContact O-N 3.25Å; H155-C184 PolarHBondContact CE1-O 3.41Å; H155-C184 VanDerWaalsContact CE1-O 3.24Å; H155-V218 VanDerWaalsContact CB-O 3.26Å; H155-V218 WeakPolarHBondContact CB-O 3.46Å; H155-V218 PolarHBondContact CD2-O 2.94Å; H155-V219 HydrophobicContact CB-CG1 4.01Å; H155-Q223 PolarHBondContact O-NE2 3.02Å
156R96.6Very high97.2Very high178 Ų17854.2 Ų54.267%0.67226%0.264SS*.THydrogen-bonded Turntrans-53-28-171.668.2178-67.4179.44.6115.3D154 H159D154-R156 PolarHBondContact O-N 3.08Å; R156-H159 PolarHBondContact O-CE1 3.37Å; R156-H159 PolarHBondContact O-ND1 2.95Å
157W95.9Very high97.1Very high90 Ų9060.5 Ų60.534%0.34129%0.294SS..THydrogen-bonded Turntrans-105.5-11.4-176.7-60.8116.8000114.2H155 H159 M160 C184H155-W157 PolarHBondContact ND1-N 3.23Å; H155-W157 PolarHBondContact O-N 2.92Å; W157-H159 PolarHBondContact O-N 3.31Å; W157-M160 HydrophobicContact CE3-SD 4.18Å; W157-M160 PolarHBondContact O-N 3.34Å; W157-C184 HydrophobicContact CB-CB 3.98Å; W157-C184 HydrophobicContact CD2-CB 4.24Å; W157-C184 HydrophobicContact CG-CB 3.68Å
158L96.7Very high97Very high1 Ų160.5 Ų60.51%0.00529%0.294CS..THydrogen-bonded Turntrans-71.9-20.3-174.1-171.562.1000112.1F96 H155 M160 I161 T162 L185 V219 Q223 F227F96-L158 HydrophobicContact CZ-CD1 4.4Å; H155-L158 HydrophobicContact CB-CB 3.78Å; H155-L158 HydrophobicContact CB-CD2 4.43Å; H155-L158 PolarHBondContact ND1-N 3.22Å; H155-L158 PolarHBondContact O-N 3.25Å; L158-M160 PolarHBondContact O-N 3.44Å; L158-I161 HydrophobicContact CD1-CB 4.25Å; L158-I161 HydrophobicContact CD1-CD1 4.03Å; L158-I161 PolarHBondContact O-N 2.73Å; L158-T162 HydrophobicContact CG-CG2 4.23Å; L158-T162 PolarHBondContact O-N 2.88Å; L158-T162 PolarHBondContact O-OG1 3.09Å; L158-L185 HydrophobicContact CD1-CD2 4.4Å; L158-V219 HydrophobicContact CD2-CB 4.05Å; L158-V219 HydrophobicContact CD2-CG1 3.59Å; L158-Q223 HydrophobicContact CD2-CB 3.88Å; L158-Q223 HydrophobicContact CD2-CG 4.45Å; L158-F227 HydrophobicContact CD1-CE2 4.41Å; L158-F227 HydrophobicContact CD1-CZ 4.26Å; L158-F227 HydrophobicContact CD2-CE2 4.46Å
159H95.5Very high97Very high85 Ų8564.2 Ų64.239%0.39431%0.311SS..Hα-helixtrans-53.3-37173.772-87.5000112.5R156 W157 I161 T162 D163R156-H159 PolarHBondContact O-CE1 3.37Å; R156-H159 PolarHBondContact O-ND1 2.95Å; W157-H159 PolarHBondContact O-N 3.31Å; H159-I161 PolarHBondContact O-N 2.87Å; H159-T162 VanDerWaalsContact CA-OG1 3.27Å; H159-T162 WeakPolarHBondContact CA-OG1 3.43Å; H159-T162 PolarHBondContact O-N 2.92Å; H159-T162 PolarHBondContact O-OG1 3.08Å; H159-D163 VanDerWaalsContact O-CB 3.3Å; H159-D163 WeakPolarHBondContact O-CB 3.41Å; H159-D163 PolarHBondContact O-N 3.06Å
160M95.3Very high96.9Very high67 Ų6765.5 Ų65.533%0.3332%0.316SS..Hα-helixtrans-57.5-36.8177.4-62-178.671.400112W157 L158 F177 F180W157-M160 HydrophobicContact CE3-SD 4.18Å; W157-M160 PolarHBondContact O-N 3.34Å; L158-M160 PolarHBondContact O-N 3.44Å; M160-F177 HydrophobicContact CB-CZ 4.48Å; M160-F177 VanDerWaalsContact O-CE2 3.24Å; M160-F177 WeakPolarHBondContact O-CE2 3.33Å; M160-F180 HydrophobicContact CB-CD2 4.27Å; M160-F180 HydrophobicContact CB-CE2 4.16Å; M160-F180 HydrophobicContact CE-CD2 4.01Å; M160-F180 HydrophobicContact SD-CD2 4.16Å; M160-F180 HydrophobicContact SD-CE2 4.28Å
161I97.7Very high97Very high1 Ų166.2 Ų66.21%0.00532%0.318CS..Hα-helixtrans-80.4-49.4176.9-65.6170.3000109.9I60 F94 F96 L158 H159 D163 A164 L165 F177 F180 L185 F227I60-I161 HydrophobicContact CD1-CG2 4.17Å; F94-I161 HydrophobicContact CE2-CD1 3.89Å; F94-I161 HydrophobicContact CZ-CD1 3.81Å; F96-I161 HydrophobicContact CE2-CD1 4.15Å; F96-I161 HydrophobicContact CE2-CG2 4.49Å; F96-I161 HydrophobicContact CZ-CD1 3.93Å; L158-I161 HydrophobicContact CD1-CB 4.25Å; L158-I161 HydrophobicContact CD1-CD1 4.03Å; L158-I161 PolarHBondContact O-N 2.73Å; H159-I161 PolarHBondContact O-N 2.87Å; I161-D163 PolarHBondContact O-N 3.04Å; I161-A164 WeakPolarHBondContact O-CB 2.93Å; I161-A164 PolarHBondContact O-N 2.93Å; I161-L165 HydrophobicContact CG2-CD2 4.23Å; I161-L165 HydrophobicContact CG2-CG 4.46Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 2.86Å; I161-L165 VanDerWaalsContact O-N 3.11Å; I161-F177 HydrophobicContact CG1-CE1 4.41Å; I161-F177 HydrophobicContact CG1-CZ 4.01Å; I161-F180 HydrophobicContact CD1-CE1 4.4Å; I161-F180 HydrophobicContact CD1-CE2 4.2Å; I161-F180 HydrophobicContact CD1-CZ 3.75Å; I161-F180 HydrophobicContact CG1-CE2 4.06Å; I161-F180 HydrophobicContact CG1-CZ 4.12Å; I161-L185 HydrophobicContact CD1-CD1 3.78Å; I161-F227 HydrophobicContact CG2-CE1 4.43Å; I161-F227 HydrophobicContact CG2-CZ 3.94Å
162T97.1Very high96.9Very high10 Ų1066.3 Ų66.36%0.06134%0.335CS..Hα-helixtrans-62.5-31.4-175.157.30000113.2L158 H159 A164 L165 Q223 M226 F227L158-T162 HydrophobicContact CG-CG2 4.23Å; L158-T162 PolarHBondContact O-N 2.88Å; L158-T162 PolarHBondContact O-OG1 3.09Å; H159-T162 VanDerWaalsContact CA-OG1 3.27Å; H159-T162 WeakPolarHBondContact CA-OG1 3.43Å; H159-T162 PolarHBondContact O-N 2.92Å; H159-T162 PolarHBondContact O-OG1 3.08Å; T162-A164 VanDerWaalsContact C-N 3.33Å; T162-L165 HydrophobicContact CG2-CD1 4.44Å; T162-L165 WeakPolarHBondContact O-CB 3.43Å; T162-L165 PolarHBondContact O-N 3Å; T162-Q223 HydrophobicContact CG2-CB 4.32Å; T162-M226 HydrophobicContact CG2-CB 3.98Å; T162-M226 HydrophobicContact CG2-CG 4.23Å; T162-F227 HydrophobicContact CG2-CD2 4.47Å; T162-F227 HydrophobicContact CG2-CE2 3.91Å
163D96.1Very high97Very high96 Ų9665.8 Ų65.851%0.51333%0.325SS..Hα-helixtrans-68.2-35175.1-67.1-12.6000111.3H159 I161 Y166H159-D163 VanDerWaalsContact O-CB 3.3Å; H159-D163 WeakPolarHBondContact O-CB 3.41Å; H159-D163 PolarHBondContact O-N 3.06Å; I161-D163 PolarHBondContact O-N 3.04Å; D163-Y166 WeakPolarHBondContact O-CD2 3.21Å
164A97.3Very high97Very high13 Ų1362.6 Ų62.611%0.10731%0.313CS..Hα-helixtrans-74.4-24.9175.800000113I60 I161 T162 Y166 M167 V168 F177I60-A164 HydrophobicContact CD1-CB 4.03Å; I60-A164 HydrophobicContact CG2-CB 3.87Å; I161-A164 WeakPolarHBondContact O-CB 2.93Å; I161-A164 PolarHBondContact O-N 2.93Å; T162-A164 VanDerWaalsContact C-N 3.33Å; A164-Y166 PolarHBondContact O-N 3.01Å; A164-Y166 VanDerWaalsContact O-N 3.14Å; A164-M167 WeakPolarHBondContact O-CB 2.97Å; A164-M167 PolarHBondContact O-N 3.01Å; A164-V168 PolarHBondContact O-N 2.83Å; A164-F177 HydrophobicContact CB-CD2 4.03Å; A164-F177 HydrophobicContact CB-CE2 3.92Å
165L97.7Very high97Very high4 Ų460 Ų602%0.02130%0.302CS..Hα-helixtrans-58.5-28.4-179.9-63.6-173.2000113.4I60 V67 I161 T162 M167 V168 K169 M226 F227 L230I60-L165 HydrophobicContact CD1-CD2 4.25Å; V67-L165 HydrophobicContact CB-CD2 4.02Å; V67-L165 HydrophobicContact CG1-CD2 4.11Å; V67-L165 HydrophobicContact CG2-CD2 3.63Å; I161-L165 HydrophobicContact CG2-CD2 4.23Å; I161-L165 HydrophobicContact CG2-CG 4.46Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 2.86Å; I161-L165 VanDerWaalsContact O-N 3.11Å; T162-L165 HydrophobicContact CG2-CD1 4.44Å; T162-L165 WeakPolarHBondContact O-CB 3.43Å; T162-L165 PolarHBondContact O-N 3Å; L165-M167 VanDerWaalsContact C-N 3.28Å; L165-M167 PolarHBondContact O-N 3.44Å; L165-V168 HydrophobicContact CD2-CG2 4.27Å; L165-V168 CarbonylContact O-C 3.23Å; L165-V168 PolarHBondContact O-N 2.88Å; L165-K169 PolarHBondContact O-N 2.95Å; L165-M226 HydrophobicContact CD1-CB 4.05Å; L165-F227 HydrophobicContact CD1-CB 4.45Å; L165-F227 HydrophobicContact CD1-CD1 4.01Å; L165-F227 HydrophobicContact CD1-CD2 3.82Å; L165-F227 HydrophobicContact CD1-CE1 4.19Å; L165-F227 HydrophobicContact CD1-CE2 4Å; L165-F227 HydrophobicContact CD1-CG 3.82Å; L165-F227 HydrophobicContact CD1-CZ 4.19Å; L165-L230 HydrophobicContact CB-CD2 4.18Å; L165-L230 HydrophobicContact CD2-CD1 4.2Å; L165-L230 HydrophobicContact CD2-CD2 4.4Å
166Y94.5Very high97Very high150 Ų15064 Ų6459%0.58832%0.323SS*.THydrogen-bonded Turntrans-61.8-37.5174.5-69.4-80.6000112.5D163 A164 V168 M226D163-Y166 WeakPolarHBondContact O-CD2 3.21Å; A164-Y166 PolarHBondContact O-N 3.01Å; A164-Y166 VanDerWaalsContact O-N 3.14Å; Y166-V168 VanDerWaalsContact C-N 3.32Å; Y166-M226 HydrophobicContact CD1-CE 4.23Å; Y166-M226 HydrophobicContact CD2-CE 4.16Å; Y166-M226 HydrophobicContact CE1-CE 3.51Å; Y166-M226 HydrophobicContact CE2-CE 3.43Å; Y166-M226 VanDerWaalsContact CE2-CE 3.43Å; Y166-M226 WeakPolarHBondContact OH-CE 2.9Å
167M96.6Very high97Very high131 Ų13156.5 Ų56.565%0.64530%0.296SS*.THydrogen-bonded Turntrans-77.2-22.1-179.8-60.2-58.6-68.300112.3A164 L165 T175A164-M167 WeakPolarHBondContact O-CB 2.97Å; A164-M167 PolarHBondContact O-N 3.01Å; L165-M167 VanDerWaalsContact C-N 3.28Å; L165-M167 PolarHBondContact O-N 3.44Å; M167-T175 HydrophobicContact CB-CG2 3.97Å
168V98.1Very high97Very high0 Ų059 Ų590%031%0.309CS..THydrogen-bonded Turntrans-11434-177.7-600000113.2I60 N62 V67 A164 L165 Y166 F170 S173 T175 L230I60-V168 HydrophobicContact CG1-CG2 4.37Å; I60-V168 HydrophobicContact CG2-CG1 4.29Å; I60-V168 WeakPolarHBondContact O-CG1 3.25Å; N62-V168 HydrophobicContact CB-CB 4.33Å; N62-V168 WeakPolarHBondContact CB-O 3.44Å; N62-V168 PolarHBondContact ND2-O 3.06Å; V67-V168 HydrophobicContact CG2-CG2 4.29Å; A164-V168 PolarHBondContact O-N 2.83Å; L165-V168 HydrophobicContact CD2-CG2 4.27Å; L165-V168 CarbonylContact O-C 3.23Å; L165-V168 PolarHBondContact O-N 2.88Å; Y166-V168 VanDerWaalsContact C-N 3.32Å; V168-F170 VanDerWaalsContact C-N 3.33Å; V168-F170 PolarHBondContact O-N 3.41Å; V168-S173 WeakPolarHBondContact CA-OG 3.4Å; V168-S173 PolarHBondContact O-OG 3.34Å; V168-T175 HydrophobicContact CG1-CG2 3.99Å; V168-L230 WeakPolarHBondContact O-CD2 3.29Å
169K97.5Very high96.8Very high79 Ų7960.9 Ų60.934%0.34333%0.329SS..  trans-61.4-37.7-173-175.4174.5-179.1175.90113.9N62 L165 L229 L230 Q231N62-K169 PolarHBondContact ND2-O 2.88Å; N62-K169 VanDerWaalsContact ND2-O 3.08Å; L165-K169 PolarHBondContact O-N 2.95Å; K169-L229 WeakPolarHBondContact CE-O 3.23Å; K169-L230 CarbonylContact O-C 3.53Å; K169-Q231 HydrophobicContact CG-CG 4.34Å; K169-Q231 PolarHBondContact O-N 3.36Å
170F97.8Very high96.9Very high27 Ų2756.9 Ų56.912%0.11831%0.31CS..SBendtrans-106.3152.4-171.2-62.2-78.5000112.3N62 V168 G172 S173 Q231 E235N62-F170 WeakPolarHBondContact CB-O 3.4Å; V168-F170 VanDerWaalsContact C-N 3.33Å; V168-F170 PolarHBondContact O-N 3.41Å; F170-G172 PolarHBondContact O-N 3.34Å; F170-S173 PolarHBondContact N-OG 3.33Å; F170-S173 WeakPolarHBondContact O-CB 3.41Å; F170-S173 PolarHBondContact O-N 2.79Å; F170-S173 VanDerWaalsContact O-N 3.09Å; F170-S173 PolarHBondContact O-OG 3.04Å; F170-Q231 HydrophobicContact CD1-CB 3.93Å; F170-Q231 HydrophobicContact CD1-CG 3.72Å; F170-Q231 HydrophobicContact CE1-CB 4.47Å; F170-Q231 HydrophobicContact CE1-CG 3.78Å; F170-E235 HydrophobicContact CB-CB 4.19Å; F170-E235 HydrophobicContact CD1-CB 4.2Å; F170-E235 HydrophobicContact CD2-CB 3.81Å; F170-E235 HydrophobicContact CD2-CG 4.03Å; F170-E235 HydrophobicContact CE2-CB 4.19Å; F170-E235 HydrophobicContact CE2-CG 3.9Å; F170-E235 HydrophobicContact CG-CB 3.81Å; F170-E235 HydrophobicContact CG-CG 4.43Å; F170-E235 HydrophobicContact CZ-CG 4.21Å
171K97.4Very high96.9Very high89 Ų8955 Ų5539%0.38730%0.301SS..THydrogen-bonded Turntrans-53.5135.2173.4172.7-179.8179.6177.10111S173 F232 S233K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.01Å; K171-F232 WeakPolarHBondContact CB-O 3.31Å; K171-F232 WeakPolarHBondContact CD-O 3.34Å; K171-S233 PolarHBondContact N-O 2.84Å
172G97Very high96.8Very high68 Ų6855 Ų5570%0.70130%0.301SS*.THydrogen-bonded Turntrans85.9-10.1-179.900000114.3N62 F170N62-G172 PolarHBondContact O-N 2.8Å; F170-G172 PolarHBondContact O-N 3.34Å
173S97.9Very high96.8Very high30 Ų3060.4 Ų60.421%0.2132%0.324CS..  trans-74.4143.4173.762.40000111.4S61 N62 V168 F170 K171S61-S173 WeakPolarHBondContact CA-O 3.29Å; S61-S173 WeakPolarHBondContact CB-O 3.27Å; N62-S173 PolarHBondContact N-O 3.46Å; V168-S173 WeakPolarHBondContact CA-OG 3.4Å; V168-S173 PolarHBondContact O-OG 3.34Å; F170-S173 PolarHBondContact N-OG 3.33Å; F170-S173 WeakPolarHBondContact O-CB 3.41Å; F170-S173 PolarHBondContact O-N 2.79Å; F170-S173 VanDerWaalsContact O-N 3.09Å; F170-S173 PolarHBondContact O-OG 3.04Å; K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.01Å
174S98.1Very high96.8Very high71 Ų7157.2 Ų57.250%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-149.1148.4-179.1-178.40000110I60I60-S174 WeakPolarHBondContact O-CA 3.46Å; I60-S174 PolarHBondContact O-OG 2.86Å
175T97.9Very high96.8Very high44 Ų4456.7 Ų56.727%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-145.3156.5174.8-1620000111.3N59 I60 M167 V168 F177N59-T175 VanDerWaalsContact CA-O 3.29Å; N59-T175 WeakPolarHBondContact CA-O 3.47Å; N59-T175 WeakPolarHBondContact CB-O 3.29Å; I60-T175 HydrophobicContact CG2-CG2 3.51Å; I60-T175 PolarHBondContact N-O 2.85Å; I60-T175 PolarHBondContact O-N 3.03Å; M167-T175 HydrophobicContact CB-CG2 3.97Å; V168-T175 HydrophobicContact CG1-CG2 3.99Å; T175-F177 PolarHBondContact O-N 2.86Å
176D97.4Very high96.8Very high109 Ų10957.7 Ų57.758%0.58331%0.31SS*.EExtended strand (participates in β ladder)trans-60.5133177.3-9111.8000110.6K178D176-K178 IonicContact OD2-NZ 3.54Å; D176-K178 PolarHBondContact OD2-NZ 2.76Å
177F97.1Very high97Very high22 Ų2251.3 Ų51.310%0.09629%0.286CS..  trans-139.971.7-178.6-162-109000110.7S57 L58 I60 V69 M160 I161 A164 T175 F180S57-F177 CarbonylContact C-O 3.48Å; S57-F177 WeakPolarHBondContact CB-O 3.32Å; S57-F177 PolarHBondContact OG-O 2.66Å; L58-F177 PolarHBondContact O-N 2.98Å; I60-F177 HydrophobicContact CB-CB 3.83Å; I60-F177 HydrophobicContact CB-CD1 4.41Å; I60-F177 HydrophobicContact CB-CD2 4.32Å; I60-F177 HydrophobicContact CB-CG 3.94Å; I60-F177 HydrophobicContact CG2-CB 3.76Å; I60-F177 HydrophobicContact CG2-CD2 3.92Å; I60-F177 HydrophobicContact CG2-CG 3.95Å; V69-F177 HydrophobicContact CG1-CD1 3.75Å; V69-F177 HydrophobicContact CG1-CE1 4.25Å; V69-F177 HydrophobicContact CG2-CD1 4.1Å; V69-F177 HydrophobicContact CG2-CE1 4.2Å; M160-F177 HydrophobicContact CB-CZ 4.48Å; M160-F177 VanDerWaalsContact O-CE2 3.24Å; M160-F177 WeakPolarHBondContact O-CE2 3.33Å; I161-F177 HydrophobicContact CG1-CE1 4.41Å; I161-F177 HydrophobicContact CG1-CZ 4.01Å; A164-F177 HydrophobicContact CB-CD2 4.03Å; A164-F177 HydrophobicContact CB-CE2 3.92Å; T175-F177 PolarHBondContact O-N 2.86Å; F177-F180 HydrophobicContact CD1-CB 3.97Å; F177-F180 HydrophobicContact CD1-CG 4.33Å; F177-F180 HydrophobicContact CE1-CB 3.52Å; F177-F180 HydrophobicContact CE1-CD1 4.06Å; F177-F180 AromaticContact CE1-CD2 3.62Å; F177-F180 HydrophobicContact CE1-CD2 3.62Å; F177-F180 HydrophobicContact CE1-CE2 4.35Å; F177-F180 AromaticContact CE1-CG 3.45Å; F177-F180 HydrophobicContact CE1-CG 3.45Å; F177-F180 VanDerWaalsContact CE1-CG 3.45Å; F177-F180 HydrophobicContact CZ-CB 4.25Å; F177-F180 AromaticContact CZ-CD2 3.73Å; F177-F180 HydrophobicContact CZ-CD2 3.73Å; F177-F180 HydrophobicContact CZ-CE2 4.33Å; F177-F180 HydrophobicContact CZ-CG 4.07Å
178K95.6Very high96.9Very high142 Ų14250.9 Ų50.962%0.61730%0.296SS*.  trans-97.8151-172.5-65.2171.7177.7150.80111.6S57 D176S57-K178 VanDerWaalsContact OG-C 3.32Å; S57-K178 WeakPolarHBondContact OG-CA 3.47Å; D176-K178 IonicContact OD2-NZ 3.54Å; D176-K178 PolarHBondContact OD2-NZ 2.76Å
179G94.3Very high96.9Very high40 Ų4054 Ų5441%0.41231%0.313SS..SBendtrans81.911.9174.500000115.2R54 S57R54-G179 CarbonylContact O-C 3.48Å; R54-G179 VanDerWaalsContact O-CA 3.25Å; R54-G179 WeakPolarHBondContact O-CA 3.25Å; R54-G179 PolarHBondContact O-N 2.83Å; S57-G179 PolarHBondContact OG-N 3.43Å
180F95.7Very high96.9Very high2 Ų252.7 Ų52.71%0.00931%0.31CS..  trans-88.4133.6179.2-172.5-95.2000111.2S57 F71 F94 M160 I161 F177 P182 L185S57-F180 PolarHBondContact OG-N 3.15Å; F71-F180 HydrophobicContact CZ-CD1 4.37Å; F94-F180 AromaticContact CE1-CD1 3.82Å; F94-F180 HydrophobicContact CE1-CD1 3.82Å; F94-F180 AromaticContact CE1-CE1 3.49Å; F94-F180 HydrophobicContact CE1-CE1 3.49Å; F94-F180 VanDerWaalsContact CE1-CE1 3.49Å; F94-F180 HydrophobicContact CZ-CD1 4.1Å; F94-F180 AromaticContact CZ-CE1 3.6Å; F94-F180 HydrophobicContact CZ-CE1 3.6Å; F94-F180 HydrophobicContact CZ-CZ 4.28Å; M160-F180 HydrophobicContact CB-CD2 4.27Å; M160-F180 HydrophobicContact CB-CE2 4.16Å; M160-F180 HydrophobicContact CE-CD2 4.01Å; M160-F180 HydrophobicContact SD-CD2 4.16Å; M160-F180 HydrophobicContact SD-CE2 4.28Å; I161-F180 HydrophobicContact CD1-CE1 4.4Å; I161-F180 HydrophobicContact CD1-CE2 4.2Å; I161-F180 HydrophobicContact CD1-CZ 3.75Å; I161-F180 HydrophobicContact CG1-CE2 4.06Å; I161-F180 HydrophobicContact CG1-CZ 4.12Å; F177-F180 HydrophobicContact CD1-CB 3.97Å; F177-F180 HydrophobicContact CD1-CG 4.33Å; F177-F180 HydrophobicContact CE1-CB 3.52Å; F177-F180 HydrophobicContact CE1-CD1 4.06Å; F177-F180 AromaticContact CE1-CD2 3.62Å; F177-F180 HydrophobicContact CE1-CD2 3.62Å; F177-F180 HydrophobicContact CE1-CE2 4.35Å; F177-F180 AromaticContact CE1-CG 3.45Å; F177-F180 HydrophobicContact CE1-CG 3.45Å; F177-F180 VanDerWaalsContact CE1-CG 3.45Å; F177-F180 HydrophobicContact CZ-CB 4.25Å; F177-F180 AromaticContact CZ-CD2 3.73Å; F177-F180 HydrophobicContact CZ-CD2 3.73Å; F177-F180 HydrophobicContact CZ-CE2 4.33Å; F177-F180 HydrophobicContact CZ-CG 4.07Å; F180-P182 HydrophobicContact CE1-CB 4.21Å; F180-L185 HydrophobicContact CE1-CD1 4.28Å; F180-L185 HydrophobicContact CZ-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CG 4.09Å
181N96.1Very high96.9Very high26 Ų2654.9 Ų54.914%0.13932%0.32CS..  trans-113.7113.4173.3-163.6-46.2000110.4Y52 R54 K183 C184Y52-N181 WeakPolarHBondContact CB-OD1 3.1Å; Y52-N181 PolarHBondContact O-ND2 3Å; R54-N181 HydrophobicContact CG-CB 3.59Å; N181-K183 PolarHBondContact O-N 3.26Å; N181-K183 WeakPolarHBondContact OD1-CB 3.43Å; N181-K183 PolarHBondContact OD1-N 3.42Å; N181-C184 WeakPolarHBondContact O-CB 3.48Å; N181-C184 PolarHBondContact O-N 2.73Å; N181-C184 PolarHBondContact O-SG 3.38Å
182P96.4Very high97Very high1 Ų150.7 Ų50.71%0.00630%0.302CS..G310 helixtrans-66.5-12-177.625.8-31.4000113.5Y52 F71 L91 F94 L121 F180 C184 L185Y52-P182 HydrophobicContact CD2-CB 4.44Å; Y52-P182 HydrophobicContact CD2-CG 3.65Å; Y52-P182 HydrophobicContact CE2-CG 4.01Å; Y52-P182 HydrophobicContact CG-CG 3.97Å; F71-P182 HydrophobicContact CE1-CG 4.14Å; F71-P182 HydrophobicContact CZ-CB 4.46Å; F71-P182 HydrophobicContact CZ-CG 3.9Å; L91-P182 HydrophobicContact CD2-CG 3.78Å; F94-P182 HydrophobicContact CD1-CB 4.11Å; F94-P182 HydrophobicContact CE1-CB 4.19Å; L121-P182 HydrophobicContact CD2-CB 3.99Å; L121-P182 HydrophobicContact CD2-CG 4.43Å; F180-P182 HydrophobicContact CE1-CB 4.21Å; P182-C184 PolarHBondContact O-N 3.36Å; P182-C184 VanDerWaalsContact O-N 3.09Å; P182-L185 PolarHBondContact O-N 2.98Å
183K96.3Very high97Very high124 Ų12448.3 Ų48.354%0.53927%0.272SS..G310 helixtrans-56.3-24.9170-163.6175.9-177.1169.60112.6Y52 N181 L185 L186Y52-K183 HydrophobicContact CD2-CB 4.27Å; N181-K183 PolarHBondContact O-N 3.26Å; N181-K183 WeakPolarHBondContact OD1-CB 3.43Å; N181-K183 PolarHBondContact OD1-N 3.42Å; K183-L185 PolarHBondContact O-N 2.91Å; K183-L186 HydrophobicContact CB-CD1 4.34Å; K183-L186 HydrophobicContact CG-CD1 3.77Å; K183-L186 PolarHBondContact O-N 2.84Å
184C96.4Very high97.1Very high30 Ų3046.9 Ų46.920%0.20326%0.262CS..G310 helixtrans-69.6-14.2177.876.10000113.8H155 W157 N181 P182H155-C184 PolarHBondContact CE1-O 3.41Å; H155-C184 VanDerWaalsContact CE1-O 3.24Å; W157-C184 HydrophobicContact CB-CB 3.98Å; W157-C184 HydrophobicContact CD2-CB 4.24Å; W157-C184 HydrophobicContact CG-CB 3.68Å; N181-C184 WeakPolarHBondContact O-CB 3.48Å; N181-C184 PolarHBondContact O-N 2.73Å; N181-C184 PolarHBondContact O-SG 3.38Å; P182-C184 PolarHBondContact O-N 3.36Å; P182-C184 VanDerWaalsContact O-N 3.09Å
185L97.4Very high97.1Very high2 Ų243.8 Ų43.81%0.0124%0.239CC..G310 helixtrans-104.615.6177.8-55.9179.8000112.6F96 L119 L158 I161 F180 P182 K183 I217F96-L185 HydrophobicContact CZ-CD1 4.27Å; L119-L185 HydrophobicContact CD2-CB 3.93Å; L119-L185 HydrophobicContact CD2-CD1 3.82Å; L158-L185 HydrophobicContact CD1-CD2 4.4Å; I161-L185 HydrophobicContact CD1-CD1 3.78Å; F180-L185 HydrophobicContact CE1-CD1 4.28Å; F180-L185 HydrophobicContact CZ-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CG 4.09Å; P182-L185 PolarHBondContact O-N 2.98Å; K183-L185 PolarHBondContact O-N 2.91Å; L185-I217 HydrophobicContact CB-CD1 4.38Å
186L97.9Very high97.2Very high25 Ų2545.6 Ų45.613%0.13125%0.247CC..  trans-90.7145.2175.8-60.6178.3000110.7L50 L145 I147 K183 L190L50-L186 HydrophobicContact CD1-CD1 3.4Å; L50-L186 VanDerWaalsContact CD1-CD1 3.4Å; L50-L186 HydrophobicContact CD1-CD2 4.09Å; L50-L186 HydrophobicContact CD1-CG 4.41Å; L145-L186 HydrophobicContact CD2-CD2 3.93Å; I147-L186 HydrophobicContact CD1-CD2 3.55Å; K183-L186 HydrophobicContact CB-CD1 4.34Å; K183-L186 HydrophobicContact CG-CD1 3.77Å; K183-L186 PolarHBondContact O-N 2.84Å; L186-L190 HydrophobicContact CB-CD2 4.42Å
187P97.6Very high97.2Very high15 Ų1540.5 Ų40.510%0.09722%0.22CC..  trans-67173.1167.131.6-37000111.4N189 L190 L213 E215 I217P187-N189 WeakPolarHBondContact CG-O 3.33Å; P187-L190 HydrophobicContact CG-CD2 4.39Å; P187-L213 HydrophobicContact CG-CB 4.47Å; P187-L213 HydrophobicContact CG-CD1 3.48Å; P187-L213 VanDerWaalsContact CG-CD1 3.48Å; P187-E215 HydrophobicContact CB-CB 3.75Å; P187-E215 HydrophobicContact CB-CG 3.62Å; P187-E215 HydrophobicContact CG-CB 4.16Å; P187-E215 WeakPolarHBondContact CG-O 3.39Å; P187-I217 HydrophobicContact CB-CG2 4.2Å
188S95.6Very high97.3Very high122 Ų12239.4 Ų39.485%0.85322%0.215SC*.SBendtrans-73.6-38.4-179.7-60.70000111.7E215S188-E215 PolarHBondContact N-OE1 3.22Å
189N96.6Very high97.4Very high67 Ų6734.1 Ų34.136%0.35819%0.193SC..  trans-100.5134.7175.8-161.6-27.9000111.7P187 H191 E215P187-N189 WeakPolarHBondContact CG-O 3.33Å; N189-H191 VanDerWaalsContact CG-CD2 3.45Å; N189-H191 PolarHBondContact ND2-CD2 3.22Å; N189-H191 PolarHBondContact OD1-CD2 3.01Å; N189-H191 VanDerWaalsContact OD1-CG 3.24Å; N189-H191 PolarHBondContact OD1-N 3.46Å; N189-E215 WeakPolarHBondContact CA-OE2 3.47Å; N189-E215 WeakPolarHBondContact CB-OE2 3.43Å; N189-E215 PolarHBondContact N-OE2 2.66Å
190L97.9Very high97.6Very high51 Ų5132.4 Ų32.427%0.26718%0.175SC..  trans-105.321.9179-58-176.7000112.9I48 L50 L186 P187 Y192 L213I48-L190 HydrophobicContact CD1-CB 4.17Å; I48-L190 HydrophobicContact CG1-CB 4.06Å; I48-L190 HydrophobicContact CG1-CD1 4.29Å; L50-L190 HydrophobicContact CD1-CD1 4Å; L186-L190 HydrophobicContact CB-CD2 4.42Å; P187-L190 HydrophobicContact CG-CD2 4.39Å; L190-Y192 WeakPolarHBondContact O-CD1 3.43Å; L190-L213 HydrophobicContact CB-CD2 4.45Å; L190-L213 HydrophobicContact CD2-CD1 3.79Å; L190-L213 HydrophobicContact CD2-CD2 4.4Å
191H98.2Very high97.7Very high72 Ų7233.8 Ų33.833%0.33318%0.183SC..  trans-60.2142.1167.4-72.3-41.4000110.8N189 K214 S261 N262N189-H191 VanDerWaalsContact CG-CD2 3.45Å; N189-H191 PolarHBondContact ND2-CD2 3.22Å; N189-H191 PolarHBondContact OD1-CD2 3.01Å; N189-H191 VanDerWaalsContact OD1-CG 3.24Å; N189-H191 PolarHBondContact OD1-N 3.46Å; H191-K214 HydrophobicContact CB-CD 4.19Å; H191-K214 HydrophobicContact CB-CG 4.46Å; H191-K214 PolarHBondContact O-N 3.23Å; H191-S261 WeakPolarHBondContact CA-OG 3.4Å; H191-S261 PolarHBondContact ND1-OG 2.68Å; H191-N262 WeakPolarHBondContact CB-OD1 3.17Å; H191-N262 PolarHBondContact CD2-ND2 2.98Å
192Y98.8Very high97.8Very high2 Ų233.1 Ų33.11%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-144.9160.1-16862.2-87.3000112.9L45 G46 I48 G83 P84 L190 T194 I211 V212 S261L45-Y192 HydrophobicContact CD1-CE2 4.23Å; L45-Y192 HydrophobicContact CD2-CE2 4.48Å; G46-Y192 PolarHBondContact O-OH 3.14Å; I48-Y192 HydrophobicContact CG2-CD1 4.16Å; I48-Y192 HydrophobicContact CG2-CE1 3.73Å; G83-Y192 WeakPolarHBondContact CA-OH 3.22Å; P84-Y192 HydrophobicContact CG-CE2 4.4Å; L190-Y192 WeakPolarHBondContact O-CD1 3.43Å; Y192-T194 HydrophobicContact CD2-CG2 4.38Å; Y192-T194 HydrophobicContact CE2-CG2 4.01Å; Y192-I211 HydrophobicContact CD1-CG2 4.39Å; Y192-I211 HydrophobicContact CD2-CG2 3.8Å; Y192-I211 HydrophobicContact CG-CG2 3.74Å; Y192-V212 CarbonylContact C-O 3.33Å; Y192-V212 WeakPolarHBondContact CA-O 3.13Å; Y192-V212 WeakPolarHBondContact CB-O 3.03Å; Y192-S261 PolarHBondContact N-OG 2.65Å; Y192-S261 PolarHBondContact O-N 3.01Å; Y192-S261 PolarHBondContact O-OG 3.13Å
193W98.8Very high97.8Very high17 Ų1735.5 Ų35.56%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-98151156.7-61.7-76.7000110.2I34 P36 V110 I211 V212 K214 V258 R259 S260I34-W193 HydrophobicContact CD1-CB 4.3Å; I34-W193 HydrophobicContact CD1-CD2 4.35Å; I34-W193 HydrophobicContact CD1-CE3 4.01Å; I34-W193 HydrophobicContact CG2-CD2 3.75Å; I34-W193 HydrophobicContact CG2-CE3 4.19Å; I34-W193 HydrophobicContact CG2-CG 3.91Å; I34-W193 HydrophobicContact CG2-CZ2 4.32Å; P36-W193 HydrophobicContact CB-CZ2 4.32Å; P36-W193 HydrophobicContact CG-CZ2 4.14Å; V110-W193 HydrophobicContact CG1-CH2 4.05Å; V110-W193 HydrophobicContact CG2-CH2 4.1Å; V110-W193 HydrophobicContact CG2-CZ3 4.01Å; W193-I211 CarbonylContact O-C 3.27Å; W193-I211 WeakPolarHBondContact O-CA 3.48Å; W193-V212 HydrophobicContact CE3-CG1 4.47Å; W193-V212 PolarHBondContact N-O 3.47Å; W193-V212 PolarHBondContact O-N 3.46Å; W193-K214 HydrophobicContact CD2-CG 3.94Å; W193-K214 HydrophobicContact CE3-CG 3.84Å; W193-K214 HydrophobicContact CH2-CB 4.21Å; W193-K214 HydrophobicContact CH2-CD 4.44Å; W193-K214 HydrophobicContact CH2-CG 3.83Å; W193-K214 HydrophobicContact CZ2-CD 4.1Å; W193-K214 HydrophobicContact CZ2-CG 3.91Å; W193-K214 HydrophobicContact CZ3-CB 4.18Å; W193-K214 HydrophobicContact CZ3-CG 3.8Å; W193-V258 HydrophobicContact CB-CG1 3.82Å; W193-V258 HydrophobicContact CG-CG1 4.17Å; W193-R259 CarbonylContact C-O 3.52Å; W193-R259 VanDerWaalsContact CA-O 3.25Å; W193-R259 WeakPolarHBondContact CA-O 3.1Å; W193-S260 PolarHBondContact NE1-OG 2.83Å
194T98.9Very high97.8Very high1 Ų129.6 Ų29.61%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-140.6143.3174.9-176.30000112.4L45 P84 Y192 W210 R259L45-T194 HydrophobicContact CD1-CG2 3.67Å; L45-T194 HydrophobicContact CD2-CG2 3.96Å; P84-T194 HydrophobicContact CB-CG2 4.1Å; P84-T194 HydrophobicContact CG-CG2 4.28Å; P84-T194 WeakPolarHBondContact CG-OG1 3.28Å; Y192-T194 HydrophobicContact CD2-CG2 4.38Å; Y192-T194 HydrophobicContact CE2-CG2 4.01Å; T194-W210 WeakPolarHBondContact CA-O 3.11Å; T194-W210 VanDerWaalsContact CB-O 3.23Å; T194-W210 WeakPolarHBondContact CB-O 3.5Å; T194-W210 PolarHBondContact OG1-O 3.26Å; T194-R259 HydrophobicContact CG2-CB 3.99Å; T194-R259 PolarHBondContact N-O 3.39Å; T194-R259 PolarHBondContact O-N 2.87Å
195Y98.8Very high97.9Very high6 Ų631 Ų312%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-157.7162.4176.274.3-82000110.6S30 I32 H108 W210S30-Y195 WeakPolarHBondContact CB-OH 3.47Å; S30-Y195 WeakPolarHBondContact OG-CE2 3.21Å; S30-Y195 PolarHBondContact OG-OH 3.09Å; I32-Y195 HydrophobicContact CD1-CD1 3.82Å; I32-Y195 HydrophobicContact CD1-CD2 3.96Å; I32-Y195 HydrophobicContact CD1-CE1 3.77Å; I32-Y195 HydrophobicContact CD1-CE2 3.94Å; I32-Y195 HydrophobicContact CD1-CG 3.92Å; I32-Y195 HydrophobicContact CG1-CD1 4.43Å; I32-Y195 HydrophobicContact CG1-CE1 3.87Å; I32-Y195 HydrophobicContact CG1-CE2 4.15Å; I32-Y195 HydrophobicContact CG2-CE2 4.24Å; H108-Y195 AromaticContact NE2-CE1 3.52Å; H108-Y195 AromaticContact NE2-CZ 3.48Å; H108-Y195 PolarHBondContact NE2-OH 3.22Å; Y195-W210 HydrophobicContact CD1-CB 3.71Å; Y195-W210 HydrophobicContact CD1-CG 4.39Å; Y195-W210 HydrophobicContact CE1-CB 3.42Å; Y195-W210 VanDerWaalsContact CE1-CB 3.42Å; Y195-W210 HydrophobicContact CE1-CD2 4.46Å; Y195-W210 AromaticContact CE1-CG 3.67Å; Y195-W210 HydrophobicContact CE1-CG 3.67Å; Y195-W210 AromaticContact CE2-CD1 3.88Å; Y195-W210 HydrophobicContact CE2-CG 4.32Å; Y195-W210 HydrophobicContact CG-CB 4.37Å; Y195-W210 AromaticContact CZ-CD1 3.53Å; Y195-W210 AromaticContact CZ-CG 3.63Å; Y195-W210 PolarHBondContact N-O 3.22Å; Y195-W210 PolarHBondContact O-N 2.71Å
196L98.6Very high98Very high82 Ų8232.9 Ų32.943%0.42918%0.183SC..EExtended strand (participates in β ladder)trans-86.9126.5173.6-59.3-179.3000110.1I209 R256L196-I209 HydrophobicContact CD2-CB 4.48Å; L196-I209 HydrophobicContact CD2-CG1 3.83Å; L196-R256 WeakPolarHBondContact O-CD 3.19Å; L196-R256 PolarHBondContact O-NH1 2.93Å
197G98.7Very high98Very high1 Ų131.7 Ų31.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-143-156.9-171.600000113.8R28 S30 E206 S207 V208R28-G197 CarbonylContact O-C 3.58Å; R28-G197 WeakPolarHBondContact O-CA 3.33Å; S30-G197 WeakPolarHBondContact OG-CA 3.19Å; G197-E206 CarbonylContact O-C 3.57Å; G197-E206 WeakPolarHBondContact O-CA 3.45Å; G197-S207 PolarHBondContact O-N 3.01Å; G197-V208 PolarHBondContact N-O 2.92Å; G197-V208 PolarHBondContact O-N 3.28Å
198S98.9Very high98.1Very high0 Ų031 Ų310%017%0.172CC..  trans-126.2171.917974.10000112R28 Q29 S30 H205 V208 W210R28-S198 PolarHBondContact O-N 2.87Å; R28-S198 VanDerWaalsContact O-N 3.15Å; Q29-S198 WeakPolarHBondContact CA-OG 3.17Å; Q29-S198 PolarHBondContact NE2-OG 3.02Å; S30-S198 WeakPolarHBondContact CB-O 3.49Å; S30-S198 PolarHBondContact N-OG 2.8Å; S30-S198 PolarHBondContact OG-N 3.36Å; S198-H205 CarbonylContact C-O 3.56Å; S198-H205 WeakPolarHBondContact CA-O 3.29Å; S198-H205 WeakPolarHBondContact CB-O 3.17Å; S198-V208 VanDerWaalsContact C-CG2 3.42Å; S198-W210 PolarHBondContact O-NE1 3Å
199L98.5Very high98.2Very high30 Ų3025.9 Ų25.916%0.15714%0.135CC..  trans-59.2146154.4-65.9173.1000109.4L142 L204 H205 V208L142-L199 HydrophobicContact CD1-CD1 4.46Å; L142-L199 HydrophobicContact CD1-CD2 3.8Å; L142-L199 HydrophobicContact CD1-CG 4.23Å; L199-L204 WeakPolarHBondContact O-CD2 3.11Å; L199-H205 PolarHBondContact N-O 3.26Å; L199-V208 HydrophobicContact CD2-CG2 4.03Å; L199-V208 HydrophobicContact CG-CG2 4.19Å
200T98.4Very high98.3Very high4 Ų422.8 Ų22.83%0.02512%0.118CC..SBendtrans-92.1-4.7177.758.70000113.1W17 E107 W210W17-T200 WeakPolarHBondContact CZ3-O 3.23Å; E107-T200 WeakPolarHBondContact OE1-CB 3.42Å; E107-T200 PolarHBondContact OE1-OG1 2.72Å; E107-T200 WeakPolarHBondContact OE2-CB 3.27Å; E107-T200 WeakPolarHBondContact OE2-CG2 3.43Å; E107-T200 PolarHBondContact OE2-OG1 3.35Å; T200-W210 HydrophobicContact CG2-CH2 4.36Å; T200-W210 HydrophobicContact CG2-CZ2 3.87Å
201T97.3Very high98.4Very high31 Ų3120.3 Ų20.319%0.1911%0.105CC..SBendtrans-120.1150.1173.357.30000111.2W6 Y8 L204W6-T201 HydrophobicContact CH2-CG2 3.53Å; W6-T201 HydrophobicContact CZ2-CG2 4.31Å; W6-T201 HydrophobicContact CZ3-CG2 4.15Å; Y8-T201 WeakPolarHBondContact OH-CG2 3.35Å; T201-L204 WeakPolarHBondContact O-CD2 3.06Å; T201-L204 PolarHBondContact O-N 2.87Å
202P96.9Very high98.4Very high13 Ų1316.9 Ų16.98%0.0849%0.089CC..THydrogen-bonded Turntrans-47.4132.1172.1-31.738.7000113.4W6 W17 Y21 L204W6-P202 HydrophobicContact CB-CG 4.09Å; W6-P202 HydrophobicContact CD2-CB 4.12Å; W6-P202 HydrophobicContact CD2-CG 3.6Å; W6-P202 HydrophobicContact CE3-CG 4.06Å; W6-P202 HydrophobicContact CG-CB 3.94Å; W6-P202 HydrophobicContact CG-CG 3.59Å; W17-P202 HydrophobicContact CB-CG 4.48Å; W17-P202 HydrophobicContact CD2-CG 3.74Å; W17-P202 HydrophobicContact CE3-CG 4Å; W17-P202 HydrophobicContact CG-CG 3.99Å; Y21-P202 HydrophobicContact CD1-CB 4.22Å; Y21-P202 HydrophobicContact CD2-CB 3.79Å; Y21-P202 HydrophobicContact CD2-CG 4.01Å; Y21-P202 HydrophobicContact CE1-CB 3.96Å; Y21-P202 HydrophobicContact CE2-CB 3.52Å; Y21-P202 HydrophobicContact CE2-CG 3.97Å; Y21-P202 HydrophobicContact CG-CB 4.13Å; P202-L204 HydrophobicContact CG-CG 4.39Å
203P96.8Very high98.4Very high50 Ų5016.8 Ų16.833%0.3259%0.089SC..THydrogen-bonded Turncis-87.89.118.635.2-38.5000116.7Y21 V23 H205Y21-P203 HydrophobicContact CD1-CB 4.04Å; Y21-P203 HydrophobicContact CE1-CB 4.14Å; V23-P203 WeakPolarHBondContact CG1-O 3.14Å; P203-H205 VanDerWaalsContact C-N 3.27Å; P203-H205 WeakPolarHBondContact CG-CD2 3.17Å; P203-H205 VanDerWaalsContact CG-NE2 3.29Å; P203-H205 WeakPolarHBondContact CG-NE2 3.22Å; P203-H205 PolarHBondContact O-N 2.94Å
204L97.9Very high98.4Very high0 Ų018.8 Ų18.80%010%0.098CC..  trans59.830.3173.8-51166.2000114.5W17 V23 A24 Q29 L199 T201 P202 E206W17-L204 HydrophobicContact CB-CD1 4.36Å; W17-L204 HydrophobicContact CE3-CD1 3.96Å; W17-L204 HydrophobicContact CE3-CD2 3.98Å; W17-L204 HydrophobicContact CE3-CG 4.46Å; W17-L204 HydrophobicContact CZ3-CD2 3.97Å; V23-L204 HydrophobicContact CG1-CB 4.13Å; A24-L204 HydrophobicContact CB-CD1 3.38Å; Q29-L204 PolarHBondContact NE2-O 2.91Å; L199-L204 WeakPolarHBondContact O-CD2 3.11Å; T201-L204 WeakPolarHBondContact O-CD2 3.06Å; T201-L204 PolarHBondContact O-N 2.87Å; P202-L204 HydrophobicContact CG-CG 4.39Å; L204-E206 PolarHBondContact O-N 2.89Å
205H98.1Very high98.4Very high61 Ų6122.1 Ų22.128%0.28211%0.114SC..  trans-57.4134.3178.7-69.8-46.2000111.5A136 S198 L199 P203 S207A136-H205 WeakPolarHBondContact O-CB 3.36Å; A136-H205 PolarHBondContact O-CD2 3.02Å; S198-H205 CarbonylContact C-O 3.56Å; S198-H205 WeakPolarHBondContact CA-O 3.29Å; S198-H205 WeakPolarHBondContact CB-O 3.17Å; L199-H205 PolarHBondContact N-O 3.26Å; P203-H205 VanDerWaalsContact C-N 3.27Å; P203-H205 WeakPolarHBondContact CG-CD2 3.17Å; P203-H205 VanDerWaalsContact CG-NE2 3.29Å; P203-H205 WeakPolarHBondContact CG-NE2 3.22Å; P203-H205 PolarHBondContact O-N 2.94Å; H205-S207 PolarHBondContact O-N 3.36Å; H205-S207 PolarHBondContact O-OG 2.98Å
206E98.5Very high98.4Very high41 Ų4122.7 Ų22.719%0.19212%0.118CC..SBendtrans-80.963176.4-60.1-170.616400111V23 G26 N27 R28 G197 L204V23-E206 HydrophobicContact CG2-CG 4.16Å; G26-E206 WeakPolarHBondContact CA-OE1 3.47Å; N27-E206 PolarHBondContact N-OE1 2.88Å; R28-E206 HydrophobicContact CB-CB 4.35Å; R28-E206 HydrophobicContact CB-CG 4.22Å; R28-E206 VanDerWaalsContact N-CD 3.35Å; R28-E206 PolarHBondContact N-OE1 3.21Å; R28-E206 IonicContact NE-OE2 3.92Å; R28-E206 PolarHBondContact NE-OE2 2.94Å; R28-E206 PolarHBondContact NH2-O 3.26Å; G197-E206 CarbonylContact O-C 3.57Å; G197-E206 WeakPolarHBondContact O-CA 3.45Å; L204-E206 PolarHBondContact O-N 2.89Å
207S98.5Very high98.4Very high0 Ų019.1 Ų19.10%010%0.1CC..  trans-121.87.4-170.3490000113.9A136 A138 L142 G197 H205A136-S207 WeakPolarHBondContact O-CB 3.28Å; A136-S207 PolarHBondContact O-OG 3.4Å; A138-S207 WeakPolarHBondContact O-CA 3.41Å; A138-S207 WeakPolarHBondContact O-CB 3.4Å; L142-S207 WeakPolarHBondContact CB-O 3.32Å; L142-S207 PolarHBondContact N-O 2.81Å; G197-S207 PolarHBondContact O-N 3.01Å; H205-S207 PolarHBondContact O-N 3.36Å; H205-S207 PolarHBondContact O-OG 2.98Å
208V98.9Very high98.3Very high0 Ų021.9 Ų21.90%012%0.116CC..EExtended strand (participates in β ladder)trans-108.3125.2-167.3-1780000111.4L142 V144 G197 S198 L199 W210L142-V208 HydrophobicContact CB-CG2 4.07Å; L142-V208 HydrophobicContact CD1-CG2 4.13Å; V144-V208 HydrophobicContact CB-CG1 3.81Å; V144-V208 HydrophobicContact CG2-CG1 3.52Å; V144-V208 HydrophobicContact CG2-CG2 4.4Å; G197-V208 PolarHBondContact N-O 2.92Å; G197-V208 PolarHBondContact O-N 3.28Å; S198-V208 VanDerWaalsContact C-CG2 3.42Å; L199-V208 HydrophobicContact CD2-CG2 4.03Å; L199-V208 HydrophobicContact CG-CG2 4.19Å; V208-W210 HydrophobicContact CG1-CD2 4.12Å; V208-W210 HydrophobicContact CG1-CG 3.96Å; V208-W210 HydrophobicContact CG1-CZ2 4.43Å
209I98.9Very high98.3Very high14 Ų1421.9 Ų21.97%0.07212%0.116CC..EExtended strand (participates in β ladder)trans-86.1108.1159.1-54.2174.5000107.2P84 L85 D140 L142 A143 V144 L196P84-I209 HydrophobicContact CB-CG2 4.31Å; P84-I209 HydrophobicContact CG-CG2 3.99Å; L85-I209 HydrophobicContact CD2-CB 4.13Å; L85-I209 HydrophobicContact CD2-CD1 3.87Å; L85-I209 HydrophobicContact CD2-CG2 3.93Å; D140-I209 HydrophobicContact CB-CD1 4.29Å; L142-I209 PolarHBondContact O-N 2.69Å; A143-I209 WeakPolarHBondContact CA-O 3.23Å; V144-I209 PolarHBondContact N-O 2.93Å; L196-I209 HydrophobicContact CD2-CB 4.48Å; L196-I209 HydrophobicContact CD2-CG1 3.83Å
210W98.9Very high98.2Very high2 Ų220.9 Ų20.91%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-80.7138178.1-82.391.9000111S30 H108 H120 V144 T194 Y195 S198 T200 V208 V212S30-W210 PolarHBondContact OG-NE1 3.24Å; H108-W210 AromaticContact CE1-CD2 3.77Å; H108-W210 AromaticContact CE1-CE3 3.5Å; H108-W210 AromaticContact CE1-CH2 3.85Å; H108-W210 AromaticContact CE1-CZ3 3.53Å; H120-W210 AromaticContact CD2-CH2 3.86Å; H120-W210 AromaticContact CD2-CZ3 3.77Å; H120-W210 AromaticContact CE1-CH2 3.38Å; H120-W210 WeakPolarHBondContact CE1-CH2 3.16Å; H120-W210 AromaticContact CG-CH2 3.97Å; H120-W210 AromaticContact ND1-CH2 3.66Å; H120-W210 AromaticContact NE2-CH2 3.48Å; H120-W210 WeakPolarHBondContact NE2-CH2 3.48Å; H120-W210 AromaticContact NE2-CZ3 3.61Å; V144-W210 HydrophobicContact CB-CD2 4.34Å; V144-W210 HydrophobicContact CB-CE3 4.06Å; V144-W210 HydrophobicContact CB-CH2 4.08Å; V144-W210 HydrophobicContact CB-CZ2 4.36Å; V144-W210 HydrophobicContact CB-CZ3 3.95Å; V144-W210 HydrophobicContact CG1-CE3 3.99Å; V144-W210 HydrophobicContact CG1-CH2 3.54Å; V144-W210 HydrophobicContact CG1-CZ2 4.26Å; V144-W210 HydrophobicContact CG1-CZ3 3.39Å; T194-W210 WeakPolarHBondContact CA-O 3.11Å; T194-W210 VanDerWaalsContact CB-O 3.23Å; T194-W210 WeakPolarHBondContact CB-O 3.5Å; T194-W210 PolarHBondContact OG1-O 3.26Å; Y195-W210 HydrophobicContact CD1-CB 3.71Å; Y195-W210 HydrophobicContact CD1-CG 4.39Å; Y195-W210 HydrophobicContact CE1-CB 3.42Å; Y195-W210 VanDerWaalsContact CE1-CB 3.42Å; Y195-W210 HydrophobicContact CE1-CD2 4.46Å; Y195-W210 AromaticContact CE1-CG 3.67Å; Y195-W210 HydrophobicContact CE1-CG 3.67Å; Y195-W210 AromaticContact CE2-CD1 3.88Å; Y195-W210 HydrophobicContact CE2-CG 4.32Å; Y195-W210 HydrophobicContact CG-CB 4.37Å; Y195-W210 AromaticContact CZ-CD1 3.53Å; Y195-W210 AromaticContact CZ-CG 3.63Å; Y195-W210 PolarHBondContact N-O 3.22Å; Y195-W210 PolarHBondContact O-N 2.71Å; S198-W210 PolarHBondContact O-NE1 3Å; T200-W210 HydrophobicContact CG2-CH2 4.36Å; T200-W210 HydrophobicContact CG2-CZ2 3.87Å; V208-W210 HydrophobicContact CG1-CD2 4.12Å; V208-W210 HydrophobicContact CG1-CG 3.96Å; V208-W210 HydrophobicContact CG1-CZ2 4.43Å; W210-V212 HydrophobicContact CE3-CG2 4.04Å
211I98.9Very high98.1Very high0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-129.3100.7170.3-59.4172.2000105.7I48 I80 P84 L85 V144 L145 G146 Y192 W193I48-I211 HydrophobicContact CD1-CG2 4.13Å; I48-I211 HydrophobicContact CG2-CD1 4.25Å; I48-I211 HydrophobicContact CG2-CG2 4.33Å; I80-I211 HydrophobicContact CD1-CD1 3.86Å; P84-I211 HydrophobicContact CG-CD1 3.89Å; P84-I211 HydrophobicContact CG-CG1 3.84Å; L85-I211 HydrophobicContact CD1-CD1 4.08Å; L85-I211 HydrophobicContact CD2-CD1 4.33Å; L85-I211 HydrophobicContact CG-CD1 4.15Å; V144-I211 PolarHBondContact O-N 3Å; L145-I211 CarbonylContact C-O 3.48Å; L145-I211 VanDerWaalsContact CA-O 3.29Å; L145-I211 WeakPolarHBondContact CA-O 3.18Å; L145-I211 HydrophobicContact CD1-CB 4.11Å; L145-I211 HydrophobicContact CD1-CG2 3.64Å; G146-I211 PolarHBondContact N-O 3.22Å; Y192-I211 HydrophobicContact CD1-CG2 4.39Å; Y192-I211 HydrophobicContact CD2-CG2 3.8Å; Y192-I211 HydrophobicContact CG-CG2 3.74Å; W193-I211 CarbonylContact O-C 3.27Å; W193-I211 WeakPolarHBondContact O-CA 3.48Å
212V98.9Very high98Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-103.6116.5-177.5-1760000108.4I34 F148 Y192 W193 W210I34-V212 HydrophobicContact CD1-CB 4.16Å; I34-V212 HydrophobicContact CD1-CG1 4.14Å; I34-V212 HydrophobicContact CD1-CG2 4.28Å; F148-V212 HydrophobicContact CD2-CG1 4.39Å; F148-V212 HydrophobicContact CE2-CG1 3.56Å; F148-V212 HydrophobicContact CZ-CG1 3.74Å; Y192-V212 CarbonylContact C-O 3.33Å; Y192-V212 WeakPolarHBondContact CA-O 3.13Å; Y192-V212 WeakPolarHBondContact CB-O 3.03Å; W193-V212 HydrophobicContact CE3-CG1 4.47Å; W193-V212 PolarHBondContact N-O 3.47Å; W193-V212 PolarHBondContact O-N 3.46Å; W210-V212 HydrophobicContact CE3-CG2 4.04Å
213L98.8Very high98Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-67.6139.2-179.9-63.1-170.9000111I48 L145 G146 I147 P187 L190I48-L213 HydrophobicContact CD1-CD2 3.99Å; L145-L213 HydrophobicContact CD1-CD1 4.3Å; L145-L213 HydrophobicContact CD1-CD2 3.74Å; L145-L213 HydrophobicContact CD1-CG 3.8Å; G146-L213 PolarHBondContact O-N 2.85Å; I147-L213 HydrophobicContact CD1-CD1 4.3Å; I147-L213 HydrophobicContact CG1-CD1 3.95Å; I147-L213 HydrophobicContact CG1-CG 4.37Å; P187-L213 HydrophobicContact CG-CB 4.47Å; P187-L213 HydrophobicContact CG-CD1 3.48Å; P187-L213 VanDerWaalsContact CG-CD1 3.48Å; L190-L213 HydrophobicContact CB-CD2 4.45Å; L190-L213 HydrophobicContact CD2-CD1 3.79Å; L190-L213 HydrophobicContact CD2-CD2 4.4Å
214K98.4Very high98Very high58 Ų5828.7 Ų28.725%0.25214%0.141SC..SBendtrans-74.6-31.6177.8-64.6-169177.5-173.60112.6H191 W193 S260 N262H191-K214 HydrophobicContact CB-CD 4.19Å; H191-K214 HydrophobicContact CB-CG 4.46Å; H191-K214 PolarHBondContact O-N 3.23Å; W193-K214 HydrophobicContact CD2-CG 3.94Å; W193-K214 HydrophobicContact CE3-CG 3.84Å; W193-K214 HydrophobicContact CH2-CB 4.21Å; W193-K214 HydrophobicContact CH2-CD 4.44Å; W193-K214 HydrophobicContact CH2-CG 3.83Å; W193-K214 HydrophobicContact CZ2-CD 4.1Å; W193-K214 HydrophobicContact CZ2-CG 3.91Å; W193-K214 HydrophobicContact CZ3-CB 4.18Å; W193-K214 HydrophobicContact CZ3-CG 3.8Å; K214-S260 WeakPolarHBondContact CE-OG 3.42Å; K214-S260 PolarHBondContact NZ-OG 2.7Å; K214-N262 WeakPolarHBondContact CD-OD1 3.17Å; K214-N262 WeakPolarHBondContact CE-OD1 3.24Å; K214-N262 PolarHBondContact NZ-O 3.41Å; K214-N262 PolarHBondContact NZ-OD1 3.09Å
215E98.5Very high98Very high72 Ų7229.7 Ų29.734%0.33615%0.151SC..SBendtrans-91.1126.9178.1-170.7-179.5140.500109.5P187 S188 N189P187-E215 HydrophobicContact CB-CB 3.75Å; P187-E215 HydrophobicContact CB-CG 3.62Å; P187-E215 HydrophobicContact CG-CB 4.16Å; P187-E215 WeakPolarHBondContact CG-O 3.39Å; S188-E215 PolarHBondContact N-OE1 3.22Å; N189-E215 WeakPolarHBondContact CA-OE2 3.47Å; N189-E215 WeakPolarHBondContact CB-OE2 3.43Å; N189-E215 PolarHBondContact N-OE2 2.66Å
216S98.2Very high97.9Very high17 Ų1728.1 Ų28.112%0.11914%0.144CC..PPolyproline II helixtrans-77.6159.9171.435.50000111.4F148 E150F148-S216 CarbonylContact O-C 3.39Å; F148-S216 VanDerWaalsContact O-CA 3.25Å; F148-S216 WeakPolarHBondContact O-CA 3.46Å; F148-S216 WeakPolarHBondContact O-CB 3.37Å; E150-S216 PolarHBondContact OE1-OG 3.08Å
217I98.5Very high97.9Very high8 Ų826.1 Ų26.14%0.04114%0.135CC..EExtended strand (participates in β ladder)trans-98.1148.9160.566175.6000109.7I147 F148 L149 E150 L185 P187I147-I217 HydrophobicContact CG2-CG1 4.36Å; I147-I217 HydrophobicContact CG2-CG2 4.11Å; F148-I217 PolarHBondContact O-N 2.85Å; L149-I217 WeakPolarHBondContact CA-O 3.39Å; L149-I217 HydrophobicContact CD1-CD1 4.02Å; L149-I217 HydrophobicContact CD1-CG1 3.97Å; L149-I217 HydrophobicContact CG-CD1 3.95Å; L149-I217 HydrophobicContact CG-CG1 3.74Å; E150-I217 PolarHBondContact N-O 3.05Å; L185-I217 HydrophobicContact CB-CD1 4.38Å; P187-I217 HydrophobicContact CB-CG2 4.2Å
218V98.2Very high97.8Very high58 Ų5827.1 Ų27.135%0.35214%0.139SC..EExtended strand (participates in β ladder)trans-92.4133.1179.1-177.80000109.6E150 G152 D153 H155E150-V218 HydrophobicContact CG-CG2 4.06Å; G152-V218 VanDerWaalsContact CA-CG1 3.44Å; D153-V218 VanDerWaalsContact N-CG1 3.33Å; H155-V218 VanDerWaalsContact CB-O 3.26Å; H155-V218 WeakPolarHBondContact CB-O 3.46Å; H155-V218 PolarHBondContact CD2-O 2.94Å
219V97.9Very high97.6Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-135152.5175.7-590000110.1L149 E150 L151 G152 D153 H155 L158 L224L149-V219 HydrophobicContact CB-CG1 4.4Å; L149-V219 HydrophobicContact CB-CG2 4.04Å; L149-V219 HydrophobicContact CD2-CG1 3.83Å; L149-V219 HydrophobicContact CD2-CG2 4.29Å; L149-V219 HydrophobicContact CG-CG1 4.03Å; L149-V219 HydrophobicContact CG-CG2 4.49Å; E150-V219 PolarHBondContact O-N 3.04Å; L151-V219 CarbonylContact C-O 3.6Å; L151-V219 WeakPolarHBondContact CA-O 3.34Å; G152-V219 PolarHBondContact N-O 2.83Å; D153-V219 CarbonylContact O-C 3.53Å; D153-V219 VanDerWaalsContact O-C 3.23Å; D153-V219 WeakPolarHBondContact O-CA 3.13Å; H155-V219 HydrophobicContact CB-CG1 4.01Å; L158-V219 HydrophobicContact CD2-CB 4.05Å; L158-V219 HydrophobicContact CD2-CG1 3.59Å; V219-L224 HydrophobicContact CG2-CD1 3.7Å; V219-L224 HydrophobicContact CG2-CD2 4.24Å; V219-L224 HydrophobicContact CG2-CG 3.72Å
220S97.1Very high97.6Very high10 Ų1029.8 Ų29.87%0.0715%0.153CC..  trans-85.7156.5176.573.80000112.8G152 D153 D154 K222 Q223 L224G152-S220 WeakPolarHBondContact O-CA 3.29Å; D153-S220 PolarHBondContact O-N 2.94Å; D154-S220 WeakPolarHBondContact OD1-CB 3.37Å; D154-S220 PolarHBondContact OD1-OG 3.35Å; S220-K222 PolarHBondContact O-N 2.67Å; S220-Q223 PolarHBondContact O-N 2.85Å; S220-Q223 VanDerWaalsContact O-N 3.08Å; S220-Q223 WeakPolarHBondContact OG-CG 3.06Å; S220-Q223 PolarHBondContact OG-N 2.79Å; S220-L224 PolarHBondContact O-N 3Å
221D95.7Very high97.5Very high88 Ų8830.3 Ų30.347%0.47116%0.155SC..Hα-helixtrans-61.3-29.4173-172.264.9000111.8L151 G225 R228L151-D221 HydrophobicContact CD2-CB 4.1Å; D221-G225 WeakPolarHBondContact O-CA 3.44Å; D221-G225 PolarHBondContact O-N 2.83Å; D221-R228 IonicContact OD1-CZ 2.76Å; D221-R228 IonicContact OD1-NH1 3.9Å; D221-R228 PolarHBondContact OD1-NH1 3.2Å; D221-R228 IonicContact OD1-NH2 3.71Å
222K96.3Very high97.3Very high161 Ų16131.4 Ų31.470%0.716%0.16SC*.Hα-helixtrans-63.1-45.8172.8-178.9-173.3172.7-167.90111.2S220 G225 M226S220-K222 PolarHBondContact O-N 2.67Å; K222-G225 PolarHBondContact O-N 2.94Å; K222-M226 PolarHBondContact O-N 3.08Å
223Q97.3Very high97.1Very high11 Ų1131.9 Ų31.95%0.05116%0.163CC..Hα-helixtrans-65.4-45.9178.7-71.4175.7-36.400111.4H155 L158 T162 S220 G225 M226 F227H155-Q223 PolarHBondContact O-NE2 3.02Å; L158-Q223 HydrophobicContact CD2-CB 3.88Å; L158-Q223 HydrophobicContact CD2-CG 4.45Å; T162-Q223 HydrophobicContact CG2-CB 4.32Å; S220-Q223 PolarHBondContact O-N 2.85Å; S220-Q223 VanDerWaalsContact O-N 3.08Å; S220-Q223 WeakPolarHBondContact OG-CG 3.06Å; S220-Q223 PolarHBondContact OG-N 2.79Å; Q223-G225 VanDerWaalsContact C-N 3.28Å; Q223-G225 PolarHBondContact O-N 2.96Å; Q223-M226 WeakPolarHBondContact O-CB 3.45Å; Q223-M226 PolarHBondContact O-N 2.95Å; Q223-M226 VanDerWaalsContact O-N 3.15Å; Q223-F227 WeakPolarHBondContact O-CD2 3.25Å
224L96.7Very high96.9Very high1 Ų132.4 Ų32.41%0.00517%0.169CC..Hα-helixtrans-65.8-31.5174.6-76-179.9000112.9A116 L149 L151 V219 S220 M226 F227 R228A116-L224 HydrophobicContact CB-CD1 3.57Å; L149-L224 HydrophobicContact CD2-CD2 4.47Å; L151-L224 HydrophobicContact CD2-CD1 3.78Å; V219-L224 HydrophobicContact CG2-CD1 3.7Å; V219-L224 HydrophobicContact CG2-CD2 4.24Å; V219-L224 HydrophobicContact CG2-CG 3.72Å; S220-L224 PolarHBondContact O-N 3Å; L224-M226 PolarHBondContact O-N 3.04Å; L224-F227 HydrophobicContact CD2-CD2 4.39Å; L224-F227 WeakPolarHBondContact O-CB 3.14Å; L224-F227 PolarHBondContact O-N 2.93Å; L224-R228 PolarHBondContact O-N 2.83Å
225G96.1Very high96.6Very high22 Ų2236.1 Ų36.123%0.22719%0.187CC..Hα-helixtrans-54.2-34.3172.100000112.5D221 K222 Q223 R228 L229D221-G225 WeakPolarHBondContact O-CA 3.44Å; D221-G225 PolarHBondContact O-N 2.83Å; K222-G225 PolarHBondContact O-N 2.94Å; Q223-G225 VanDerWaalsContact C-N 3.28Å; Q223-G225 PolarHBondContact O-N 2.96Å; G225-R228 PolarHBondContact O-N 3.3Å; G225-L229 WeakPolarHBondContact O-CG 3.23Å; G225-L229 PolarHBondContact O-N 3.5Å
226M97.1Very high96.3Very high27 Ų2742 Ų4213%0.13322%0.215CC..Hα-helixtrans-66.2-36.5176.8-61.1-51.7-4900113.1T162 L165 Y166 K222 Q223 L224 L229T162-M226 HydrophobicContact CG2-CB 3.98Å; T162-M226 HydrophobicContact CG2-CG 4.23Å; L165-M226 HydrophobicContact CD1-CB 4.05Å; Y166-M226 HydrophobicContact CD1-CE 4.23Å; Y166-M226 HydrophobicContact CD2-CE 4.16Å; Y166-M226 HydrophobicContact CE1-CE 3.51Å; Y166-M226 HydrophobicContact CE2-CE 3.43Å; Y166-M226 VanDerWaalsContact CE2-CE 3.43Å; Y166-M226 WeakPolarHBondContact OH-CE 2.9Å; K222-M226 PolarHBondContact O-N 3.08Å; Q223-M226 WeakPolarHBondContact O-CB 3.45Å; Q223-M226 PolarHBondContact O-N 2.95Å; Q223-M226 VanDerWaalsContact O-N 3.15Å; L224-M226 PolarHBondContact O-N 3.04Å; M226-L229 HydrophobicContact CE-CD1 3.82Å; M226-L229 PolarHBondContact O-N 3.45Å; M226-L229 HydrophobicContact SD-CD1 4.12Å
227F97.8Very high95.9Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-65.2-41174.6-71.1-101.4000111.2V67 F96 W98 L158 I161 T162 L165 Q223 L224 L229 L230V67-F227 HydrophobicContact CG1-CD1 3.98Å; V67-F227 HydrophobicContact CG1-CE1 3.71Å; F96-F227 HydrophobicContact CB-CE1 4.21Å; F96-F227 HydrophobicContact CD1-CE1 4.36Å; F96-F227 AromaticContact CD2-CE1 3.57Å; F96-F227 HydrophobicContact CD2-CE1 3.57Å; F96-F227 HydrophobicContact CD2-CZ 4.17Å; F96-F227 HydrophobicContact CE1-CZ 4.45Å; F96-F227 AromaticContact CE2-CE1 3.88Å; F96-F227 HydrophobicContact CE2-CE1 3.88Å; F96-F227 HydrophobicContact CE2-CZ 4.05Å; F96-F227 AromaticContact CG-CE1 3.82Å; F96-F227 HydrophobicContact CG-CE1 3.82Å; F96-F227 HydrophobicContact CG-CZ 4.39Å; F96-F227 HydrophobicContact CZ-CE1 4.43Å; F96-F227 HydrophobicContact CZ-CZ 4.21Å; W98-F227 HydrophobicContact CD2-CB 3.95Å; W98-F227 HydrophobicContact CD2-CD1 4.39Å; W98-F227 HydrophobicContact CE3-CB 4.39Å; W98-F227 AromaticContact CE3-CD1 3.98Å; W98-F227 HydrophobicContact CE3-CD1 3.98Å; W98-F227 HydrophobicContact CG-CB 4.3Å; W98-F227 HydrophobicContact CH2-CD1 4.15Å; W98-F227 HydrophobicContact CZ2-CB 4.09Å; W98-F227 AromaticContact CZ3-CD1 3.87Å; W98-F227 HydrophobicContact CZ3-CD1 3.87Å; L158-F227 HydrophobicContact CD1-CE2 4.41Å; L158-F227 HydrophobicContact CD1-CZ 4.26Å; L158-F227 HydrophobicContact CD2-CE2 4.46Å; I161-F227 HydrophobicContact CG2-CE1 4.43Å; I161-F227 HydrophobicContact CG2-CZ 3.94Å; T162-F227 HydrophobicContact CG2-CD2 4.47Å; T162-F227 HydrophobicContact CG2-CE2 3.91Å; L165-F227 HydrophobicContact CD1-CB 4.45Å; L165-F227 HydrophobicContact CD1-CD1 4.01Å; L165-F227 HydrophobicContact CD1-CD2 3.82Å; L165-F227 HydrophobicContact CD1-CE1 4.19Å; L165-F227 HydrophobicContact CD1-CE2 4Å; L165-F227 HydrophobicContact CD1-CG 3.82Å; L165-F227 HydrophobicContact CD1-CZ 4.19Å; Q223-F227 WeakPolarHBondContact O-CD2 3.25Å; L224-F227 HydrophobicContact CD2-CD2 4.39Å; L224-F227 WeakPolarHBondContact O-CB 3.14Å; L224-F227 PolarHBondContact O-N 2.93Å; F227-L229 PolarHBondContact O-N 3.38Å; F227-L229 VanDerWaalsContact O-N 3.13Å; F227-L230 VanDerWaalsContact O-CB 3.29Å; F227-L230 WeakPolarHBondContact O-CB 3.16Å; F227-L230 VanDerWaalsContact O-CG 3.27Å; F227-L230 WeakPolarHBondContact O-CG 3.07Å; F227-L230 PolarHBondContact O-N 3.42Å; F227-L230 VanDerWaalsContact O-N 3.1Å
228R96.1Very high94.9Very high21 Ų2149.4 Ų49.48%0.07928%0.275CS..THydrogen-bonded Turntrans-66.6-12.3178.9-60.6168.4-175.7148.2-0.5113.7G99 E100 D221 L224 G225 E244G99-R228 PolarHBondContact O-NE 3.21Å; E100-R228 VanDerWaalsContact O-CD 3.27Å; E100-R228 WeakPolarHBondContact O-CD 3.24Å; E100-R228 PolarHBondContact O-NE 3.46Å; D221-R228 IonicContact OD1-CZ 2.76Å; D221-R228 IonicContact OD1-NH1 3.9Å; D221-R228 PolarHBondContact OD1-NH1 3.2Å; D221-R228 IonicContact OD1-NH2 3.71Å; L224-R228 PolarHBondContact O-N 2.83Å; G225-R228 PolarHBondContact O-N 3.3Å; R228-E244 HydrophobicContact CB-CG 4.35Å
229L95.8Very high94.3Very high67 Ų6755.3 Ų55.335%0.35129%0.291SS..THydrogen-bonded Turntrans-83.1-15.6174.7-63.7178.3000113.8K169 G225 M226 F227 Q231K169-L229 WeakPolarHBondContact CE-O 3.23Å; G225-L229 WeakPolarHBondContact O-CG 3.23Å; G225-L229 PolarHBondContact O-N 3.5Å; M226-L229 HydrophobicContact CE-CD1 3.82Å; M226-L229 PolarHBondContact O-N 3.45Å; M226-L229 HydrophobicContact SD-CD1 4.12Å; F227-L229 PolarHBondContact O-N 3.38Å; F227-L229 VanDerWaalsContact O-N 3.13Å; L229-Q231 PolarHBondContact O-NE2 2.77Å
230L97.8Very high93.8Very high2 Ų263.2 Ų63.21%0.0132%0.321CS..  trans-61.3159.8175.9-62.4177.2000110.7V67 W98 L165 V168 K169 F227 R242 M243V67-L230 HydrophobicContact CB-CD1 4Å; V67-L230 HydrophobicContact CG1-CD1 4.42Å; W98-L230 HydrophobicContact CH2-CD1 3.85Å; W98-L230 HydrophobicContact CZ2-CD1 3.95Å; L165-L230 HydrophobicContact CB-CD2 4.18Å; L165-L230 HydrophobicContact CD2-CD1 4.2Å; L165-L230 HydrophobicContact CD2-CD2 4.4Å; V168-L230 WeakPolarHBondContact O-CD2 3.29Å; K169-L230 CarbonylContact O-C 3.53Å; F227-L230 VanDerWaalsContact O-CB 3.29Å; F227-L230 WeakPolarHBondContact O-CB 3.16Å; F227-L230 VanDerWaalsContact O-CG 3.27Å; F227-L230 WeakPolarHBondContact O-CG 3.07Å; F227-L230 PolarHBondContact O-N 3.42Å; F227-L230 VanDerWaalsContact O-N 3.1Å; L230-R242 CarbonylContact O-C 3.57Å; L230-R242 WeakPolarHBondContact O-CA 3.19Å; L230-M243 HydrophobicContact CB-CB 3.9Å; L230-M243 HydrophobicContact CB-SD 4.34Å; L230-M243 HydrophobicContact CD1-SD 4.35Å; L230-M243 PolarHBondContact O-N 2.86Å
231Q97.2Very high93.5Very high13 Ų1366 Ų666%0.06133%0.334CS..BIsolated β-bridgetrans-118137.6179.7-57.5-66-55.400110.4N62 K169 F170 L229 M241N62-Q231 PolarHBondContact ND2-O 3.31Å; K169-Q231 HydrophobicContact CG-CG 4.34Å; K169-Q231 PolarHBondContact O-N 3.36Å; F170-Q231 HydrophobicContact CD1-CB 3.93Å; F170-Q231 HydrophobicContact CD1-CG 3.72Å; F170-Q231 HydrophobicContact CE1-CB 4.47Å; F170-Q231 HydrophobicContact CE1-CG 3.78Å; L229-Q231 PolarHBondContact O-NE2 2.77Å; Q231-M241 CarbonylContact C-O 3.56Å; Q231-M241 VanDerWaalsContact CA-O 3.29Å; Q231-M241 WeakPolarHBondContact CA-O 3.15Å; Q231-M241 VanDerWaalsContact OE1-C 3.23Å; Q231-M241 VanDerWaalsContact OE1-N 3.08Å; Q231-M241 PolarHBondContact OE1-O 2.96Å
232F95.8Very high93.4Very high23 Ų2368.3 Ų68.310%0.10134%0.336CS..SBendtrans-68.9-22.8166.2-74.7-60.1000112Y8 G64 K171 M241 R242 M243 N246Y8-F232 AromaticContact CD2-CE1 3.83Å; Y8-F232 HydrophobicContact CD2-CE1 3.83Å; Y8-F232 AromaticContact CD2-CZ 3.9Å; Y8-F232 HydrophobicContact CD2-CZ 3.9Å; Y8-F232 HydrophobicContact CE2-CE1 4.42Å; Y8-F232 HydrophobicContact CG-CZ 4.5Å; G64-F232 VanDerWaalsContact O-CD1 3.26Å; G64-F232 WeakPolarHBondContact O-CD1 3.32Å; K171-F232 WeakPolarHBondContact CB-O 3.31Å; K171-F232 WeakPolarHBondContact CD-O 3.34Å; F232-M241 HydrophobicContact CB-CE 3.6Å; F232-M241 HydrophobicContact CD2-CE 3.46Å; F232-M241 VanDerWaalsContact CD2-CE 3.46Å; F232-M241 HydrophobicContact CD2-CG 4.07Å; F232-M241 HydrophobicContact CD2-SD 4.45Å; F232-M241 HydrophobicContact CE2-CE 4.32Å; F232-M241 HydrophobicContact CG-CE 3.8Å; F232-M241 PolarHBondContact N-O 2.8Å; F232-R242 WeakPolarHBondContact CD2-O 2.98Å; F232-R242 WeakPolarHBondContact CE2-O 3.37Å; F232-M243 HydrophobicContact CD1-CB 4.27Å; F232-M243 HydrophobicContact CD1-CE 3.87Å; F232-M243 HydrophobicContact CD1-CG 3.83Å; F232-M243 HydrophobicContact CD2-CB 4.35Å; F232-M243 HydrophobicContact CE1-CB 4.32Å; F232-M243 HydrophobicContact CE1-CE 4.31Å; F232-M243 HydrophobicContact CE1-CG 3.56Å; F232-M243 HydrophobicContact CE1-SD 4.48Å; F232-M243 HydrophobicContact CE2-CB 4.41Å; F232-M243 HydrophobicContact CE2-CG 4.34Å; F232-M243 HydrophobicContact CG-CB 4.31Å; F232-M243 HydrophobicContact CG-CG 4.36Å; F232-M243 HydrophobicContact CZ-CB 4.39Å; F232-M243 HydrophobicContact CZ-CG 3.84Å; F232-N246 HydrophobicContact CE1-CB 4.02Å; F232-N246 HydrophobicContact CZ-CB 3.88Å
233S94.3Very high93.4Very high10 Ų1060.7 Ų60.77%0.0730%0.303CS..SBendtrans-96.4156.5-177.867.80000112.3K171 D237 R239K171-S233 PolarHBondContact N-O 2.84Å; S233-D237 WeakPolarHBondContact CA-OD2 3.47Å; S233-D237 WeakPolarHBondContact CB-OD2 3.39Å; S233-R239 WeakPolarHBondContact CB-O 3.42Å; S233-R239 PolarHBondContact OG-O 2.95Å
234G94.6Very high93.2Very high12 Ų1262.1 Ų62.112%0.12431%0.31CS..  trans-67.7169.6168.600000111.9D237G234-D237 PolarHBondContact N-OD2 2.57Å; G234-D237 PolarHBondContact O-N 2.93Å
235E92.1Very high93.2Very high136 Ų13665.1 Ų65.164%0.63633%0.326SS*.SBendtrans-68.4-37.8-178.8-175.7164.7-157.300112.6F170 D237F170-E235 HydrophobicContact CB-CB 4.19Å; F170-E235 HydrophobicContact CD1-CB 4.2Å; F170-E235 HydrophobicContact CD2-CB 3.81Å; F170-E235 HydrophobicContact CD2-CG 4.03Å; F170-E235 HydrophobicContact CE2-CB 4.19Å; F170-E235 HydrophobicContact CE2-CG 3.9Å; F170-E235 HydrophobicContact CG-CB 3.81Å; F170-E235 HydrophobicContact CG-CG 4.43Å; F170-E235 HydrophobicContact CZ-CG 4.21Å; E235-D237 VanDerWaalsContact C-N 3.32Å
236E92.1Very high93.3Very high195 Ų19564.1 Ų64.191%0.91132%0.315SS*.SBendtrans-84-5.5179.6-60.1-175.2171.500113.3G238E236-G238 PolarHBondContact O-N 3.17Å
237D88.8Confident93.3Very high86 Ų8665.2 Ų65.246%0.4632%0.319SS..  trans-69.4129.7179.9-72.7-14.1000110.5S233 G234 E235 R239S233-D237 WeakPolarHBondContact CA-OD2 3.47Å; S233-D237 WeakPolarHBondContact CB-OD2 3.39Å; G234-D237 PolarHBondContact N-OD2 2.57Å; G234-D237 PolarHBondContact O-N 2.93Å; E235-D237 VanDerWaalsContact C-N 3.32Å; D237-R239 PolarHBondContact O-N 3.06Å
238G79.4Confident93.3Very high94 Ų9465.3 Ų65.397%0.96932%0.32SS*.SBendtrans-64.3-12-176.100000115.4E236E236-G238 PolarHBondContact O-N 3.17Å
239R84.4Confident93.4Very high182 Ų18267.3 Ų67.369%0.68734%0.335SS*.SBendtrans-128.1107.9176.6-167.2179.880.6154.44.2111.2S233 D237S233-R239 WeakPolarHBondContact CB-O 3.42Å; S233-R239 PolarHBondContact OG-O 2.95Å; D237-R239 PolarHBondContact O-N 3.06Å
240R87.4Confident93.6Very high167 Ų16767 Ų6763%0.6334%0.337SS*.  trans-70.2131.7170.4-70-177.5-179.5176.7-1110.6
241M91Very high93.6Very high68 Ų6869 Ų6934%0.33535%0.346SS..  trans-135.9115.5176.6-169.9169.272.400108.1Q231 F232Q231-M241 CarbonylContact C-O 3.56Å; Q231-M241 VanDerWaalsContact CA-O 3.29Å; Q231-M241 WeakPolarHBondContact CA-O 3.15Å; Q231-M241 VanDerWaalsContact OE1-C 3.23Å; Q231-M241 VanDerWaalsContact OE1-N 3.08Å; Q231-M241 PolarHBondContact OE1-O 2.96Å; F232-M241 HydrophobicContact CB-CE 3.6Å; F232-M241 HydrophobicContact CD2-CE 3.46Å; F232-M241 VanDerWaalsContact CD2-CE 3.46Å; F232-M241 HydrophobicContact CD2-CG 4.07Å; F232-M241 HydrophobicContact CD2-SD 4.45Å; F232-M241 HydrophobicContact CE2-CE 4.32Å; F232-M241 HydrophobicContact CG-CE 3.8Å; F232-M241 PolarHBondContact N-O 2.8Å
242R94Very high93.7Very high137 Ų13772.5 Ų72.552%0.51737%0.37SS..BIsolated β-bridgetrans-59.6140.3176.6-71-174.2178.6-173.2-1109.9L230 F232 E244L230-R242 CarbonylContact O-C 3.57Å; L230-R242 WeakPolarHBondContact O-CA 3.19Å; F232-R242 WeakPolarHBondContact CD2-O 2.98Å; F232-R242 WeakPolarHBondContact CE2-O 3.37Å; R242-E244 VanDerWaalsContact C-N 3.31Å; R242-E244 HydrophobicContact CB-CG 4Å; R242-E244 WeakPolarHBondContact CD-OE1 3.39Å; R242-E244 IonicContact NH1-OE1 3.73Å; R242-E244 PolarHBondContact O-N 3.49Å
243M95.8Very high93.8Very high0 Ų074 Ų740%038%0.379CS..  trans-77.889.1173.3-170.6175.1-68.500107.8N62 S66 W98 L230 F232 N246N62-M243 VanDerWaalsContact OD1-CE 3.26Å; N62-M243 WeakPolarHBondContact OD1-CE 3.48Å; S66-M243 VanDerWaalsContact CA-SD 3.53Å; W98-M243 HydrophobicContact CH2-CG 4.02Å; W98-M243 HydrophobicContact CH2-SD 3.38Å; W98-M243 WeakPolarHBondContact CH2-SD 3.21Å; W98-M243 HydrophobicContact CZ2-CB 3.99Å; W98-M243 HydrophobicContact CZ2-CG 3.43Å; W98-M243 VanDerWaalsContact CZ2-CG 3.43Å; W98-M243 HydrophobicContact CZ2-SD 3.4Å; W98-M243 WeakPolarHBondContact CZ2-SD 3.13Å; W98-M243 PolarHBondContact NE1-O 3.31Å; L230-M243 HydrophobicContact CB-CB 3.9Å; L230-M243 HydrophobicContact CB-SD 4.34Å; L230-M243 HydrophobicContact CD1-SD 4.35Å; L230-M243 PolarHBondContact O-N 2.86Å; F232-M243 HydrophobicContact CD1-CB 4.27Å; F232-M243 HydrophobicContact CD1-CE 3.87Å; F232-M243 HydrophobicContact CD1-CG 3.83Å; F232-M243 HydrophobicContact CD2-CB 4.35Å; F232-M243 HydrophobicContact CE1-CB 4.32Å; F232-M243 HydrophobicContact CE1-CE 4.31Å; F232-M243 HydrophobicContact CE1-CG 3.56Å; F232-M243 HydrophobicContact CE1-SD 4.48Å; F232-M243 HydrophobicContact CE2-CB 4.41Å; F232-M243 HydrophobicContact CE2-CG 4.34Å; F232-M243 HydrophobicContact CG-CB 4.31Å; F232-M243 HydrophobicContact CG-CG 4.36Å; F232-M243 HydrophobicContact CZ-CB 4.39Å; F232-M243 HydrophobicContact CZ-CG 3.84Å; M243-N246 HydrophobicContact CG-CB 4.4Å
244E93.3Very high93.9Very high42 Ų4278.2 Ų78.220%0.19640%0.396CS..  trans-130.8147.4179-70.3165.5173.800107.6E100 R228 R242 N246E100-E244 HydrophobicContact CB-CB 4.18Å; E100-E244 HydrophobicContact CB-CG 4.41Å; E100-E244 HydrophobicContact CG-CG 4.41Å; R228-E244 HydrophobicContact CB-CG 4.35Å; R242-E244 VanDerWaalsContact C-N 3.31Å; R242-E244 HydrophobicContact CB-CG 4Å; R242-E244 WeakPolarHBondContact CD-OE1 3.39Å; R242-E244 IonicContact NH1-OE1 3.73Å; R242-E244 PolarHBondContact O-N 3.49Å; E244-N246 VanDerWaalsContact C-N 3.34Å; E244-N246 PolarHBondContact O-N 2.99Å
245N96.3Very high93.9Very high64 Ų6487.1 Ų87.134%0.34244%0.435SS..  trans55.944.8179.6-53-37000113.2W98 G99 E100 F247W98-N245 WeakPolarHBondContact O-CA 3.36Å; W98-N245 PolarHBondContact O-N 3.09Å; G99-N245 WeakPolarHBondContact CA-OD1 3.42Å; E100-N245 PolarHBondContact N-OD1 2.78Å; N245-F247 HydrophobicContact CB-CD1 4.33Å; N245-F247 HydrophobicContact CB-CE1 3.87Å; N245-F247 PolarHBondContact O-N 3.04Å; N245-F247 VanDerWaalsContact O-N 3.08Å
246N97.8Very high94.2Very high0 Ų082.1 Ų82.10%041%0.41CS..  trans-83.738.4179.771.3-34.4000112.4Y8 H65 F96 H97 W98 F232 M243 E244Y8-N246 HydrophobicContact CD2-CB 3.95Å; Y8-N246 HydrophobicContact CE2-CB 3.76Å; Y8-N246 VanDerWaalsContact CZ-C 3.43Å; Y8-N246 PolarHBondContact OH-O 2.99Å; Y8-N246 VanDerWaalsContact OH-O 3.13Å; H65-N246 WeakPolarHBondContact O-CB 3.25Å; H65-N246 PolarHBondContact O-ND2 2.95Å; F96-N246 PolarHBondContact O-ND2 2.78Å; H97-N246 PolarHBondContact ND1-O 2.84Å; W98-N246 WeakPolarHBondContact CZ3-ND2 3.46Å; W98-N246 PolarHBondContact N-OD1 3.06Å; W98-N246 PolarHBondContact O-N 2.81Å; W98-N246 PolarHBondContact O-OD1 2.76Å; W98-N246 VanDerWaalsContact O-OD1 3.09Å; F232-N246 HydrophobicContact CE1-CB 4.02Å; F232-N246 HydrophobicContact CZ-CB 3.88Å; M243-N246 HydrophobicContact CG-CB 4.4Å; E244-N246 VanDerWaalsContact C-N 3.34Å; E244-N246 PolarHBondContact O-N 2.99Å
247F97.9Very high94.4Very high50 Ų5076.4 Ų76.422%0.21939%0.385CS..  trans-121.6147.9-175.964.3-99.4000111.2H97 E104 E107 N245H97-F247 HydrophobicContact CB-CB 4.15Å; E104-F247 VanDerWaalsContact O-CE1 3.28Å; E104-F247 WeakPolarHBondContact O-CE1 3.28Å; E107-F247 HydrophobicContact CG-CB 3.65Å; N245-F247 HydrophobicContact CB-CD1 4.33Å; N245-F247 HydrophobicContact CB-CE1 3.87Å; N245-F247 PolarHBondContact O-N 3.04Å; N245-F247 VanDerWaalsContact O-N 3.08Å
248R98.4Very high94.8Very high3 Ų372.8 Ų72.81%0.01137%0.366CS..PPolyproline II helixtrans-89.7137.4173.7-166.5-167.7-174.9-177.34.2109.9P14 W17 A24 S30 P31 E107P14-R248 HydrophobicContact CB-CG 4.09Å; P14-R248 HydrophobicContact CG-CG 4.33Å; W17-R248 HydrophobicContact CH2-CB 4.36Å; W17-R248 HydrophobicContact CH2-CG 4.34Å; W17-R248 HydrophobicContact CZ3-CB 4.21Å; W17-R248 HydrophobicContact CZ3-CG 3.79Å; A24-R248 PolarHBondContact O-NH2 2.89Å; S30-R248 WeakPolarHBondContact O-CD 3.36Å; S30-R248 PolarHBondContact O-NH1 3.34Å; P31-R248 VanDerWaalsContact CG-O 3.28Å; P31-R248 WeakPolarHBondContact CG-O 3.17Å; E107-R248 WeakPolarHBondContact OE1-CB 3.19Å; E107-R248 PolarHBondContact OE1-N 2.6Å
249P98.1Very high95.7Very high63 Ų6372 Ų7241%0.40933%0.334SS..PPolyproline II helixtrans-62.3155.3173.5-23.733.6000113.1Q251P249-Q251 PolarHBondContact O-N 3.41Å; P249-Q251 PolarHBondContact O-NE2 3.03Å
250P98.6Very high96.4Very high60 Ų6063.5 Ų63.539%0.3930%0.302SS..PPolyproline II helixtrans-50135.9170.5-29.936.9000113.2T109T109-P250 HydrophobicContact CG2-CG 4.12Å
251Q98.7Very high96.9Very high43 Ų4356.5 Ų56.520%0.20128%0.279CS..PPolyproline II helixtrans-102.6156.8178.3-56.3-61.3-67.500110.2Q29 P31 P249 L253Q29-Q251 HydrophobicContact CB-CB 3.91Å; Q29-Q251 HydrophobicContact CB-CG 3.94Å; P31-Q251 WeakPolarHBondContact O-CB 3.4Å; P31-Q251 PolarHBondContact O-N 2.85Å; P249-Q251 PolarHBondContact O-N 3.41Å; P249-Q251 PolarHBondContact O-NE2 3.03Å; Q251-L253 PolarHBondContact O-N 2.95Å
252P98.4Very high96.9Very high87 Ų8757 Ų5757%0.56528%0.283SS*.PPolyproline II helixtrans-57.6130.8-179.6-26.635.7000112.9K254 R256P252-K254 VanDerWaalsContact C-N 3.27Å; P252-K254 HydrophobicContact CB-CG 4.12Å; P252-K254 PolarHBondContact O-N 2.88Å; P252-R256 PolarHBondContact O-NH2 3.45Å
253L97.7Very high97Very high54 Ų5453 Ų5328%0.28327%0.271SS..  trans-60.9-37.2177.2-17662.9000112I32 Q251 R256 V258I32-L253 HydrophobicContact CD1-CD1 3.69Å; I32-L253 HydrophobicContact CG2-CD1 4.45Å; Q251-L253 PolarHBondContact O-N 2.95Å; L253-R256 HydrophobicContact CD1-CB 3.97Å; L253-R256 HydrophobicContact CG-CB 4.46Å; L253-R256 WeakPolarHBondContact O-CB 3.28Å; L253-R256 PolarHBondContact O-N 3.03Å; L253-R256 PolarHBondContact O-NE 3.35Å; L253-V258 HydrophobicContact CD1-CG2 4.11Å
254K96.9Very high97.1Very high99 Ų9955.7 Ų55.743%0.4329%0.285SS..THydrogen-bonded Turntrans56.1-137.3-175-64.3176.7167.6-175.90110.3K25 G26 N27 P252 R256K25-K254 PolarHBondContact O-NZ 2.85Å; G26-K254 PolarHBondContact O-NZ 2.8Å; N27-K254 HydrophobicContact CB-CD 4.24Å; N27-K254 WeakPolarHBondContact O-CD 3.31Å; N27-K254 PolarHBondContact OD1-NZ 2.86Å; P252-K254 VanDerWaalsContact C-N 3.27Å; P252-K254 HydrophobicContact CB-CG 4.12Å; P252-K254 PolarHBondContact O-N 2.88Å; K254-R256 PolarHBondContact O-N 2.98Å
255E95.4Very high97.3Very high200 Ų20056.5 Ų56.594%0.93529%0.29SS*.THydrogen-bonded Turntrans-83.15.5-175.9-60.9176.5179.600113.4
256R97.3Very high97.4Very high30 Ų3056.1 Ų56.111%0.11329%0.287CS..  trans-74.7147.6-178.5-66176.9-73.2175-2.1110.9R28 Q29 L196 P252 L253 K254R28-R256 HydrophobicContact CG-CG 4.37Å; R28-R256 PolarHBondContact O-NH1 2.9Å; Q29-R256 VanDerWaalsContact O-CZ 3.28Å; Q29-R256 PolarHBondContact O-NH1 2.51Å; Q29-R256 PolarHBondContact O-NH2 3.09Å; L196-R256 WeakPolarHBondContact O-CD 3.19Å; L196-R256 PolarHBondContact O-NH1 2.93Å; P252-R256 PolarHBondContact O-NH2 3.45Å; L253-R256 HydrophobicContact CD1-CB 3.97Å; L253-R256 HydrophobicContact CG-CB 4.46Å; L253-R256 WeakPolarHBondContact O-CB 3.28Å; L253-R256 PolarHBondContact O-N 3.03Å; L253-R256 PolarHBondContact O-NE 3.35Å; K254-R256 PolarHBondContact O-N 2.98Å
257L96.2Very high97.3Very high75 Ų7559.6 Ų59.639%0.39331%0.305SS..  trans-107.9132.1171.8177.868.6000109.7R40 R259R40-L257 HydrophobicContact CB-CD1 4.26Å; R40-L257 HydrophobicContact CB-CD2 4.35Å; R40-L257 HydrophobicContact CG-CD1 3.84Å; R40-L257 HydrophobicContact CG-CD2 4.44Å; L257-R259 HydrophobicContact CD2-CG 4.26Å; L257-R259 HydrophobicContact CG-CG 4.44Å
258V98.6Very high97.3Very high10 Ų1060.2 Ų60.26%0.06131%0.311CS..  trans-86.6126.8166.2-176.30000108.6I32 I34 A39 R40 W193 L253I32-V258 HydrophobicContact CD1-CG2 3.57Å; I34-V258 HydrophobicContact CG2-CG1 4.32Å; A39-V258 WeakPolarHBondContact CA-O 2.98Å; A39-V258 HydrophobicContact CB-CB 4.4Å; A39-V258 HydrophobicContact CB-CG1 4.16Å; R40-V258 PolarHBondContact N-O 3.35Å; W193-V258 HydrophobicContact CB-CG1 3.82Å; W193-V258 HydrophobicContact CG-CG1 4.17Å; L253-V258 HydrophobicContact CD1-CG2 4.11Å
259R98.6Very high97.2Very high78 Ų7864.3 Ų64.329%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-103.2153.5175-59.4-176.9-67.3161.9-5.2110.5R40 D42 L45 W193 T194 L257R40-R259 CarbonylContact O-C 3.57Å; R40-R259 VanDerWaalsContact O-CA 3.28Å; R40-R259 WeakPolarHBondContact O-CA 3.48Å; D42-R259 HydrophobicContact CB-CB 4.26Å; D42-R259 WeakPolarHBondContact OD2-CD 3.29Å; D42-R259 IonicContact OD2-CZ 3.83Å; D42-R259 IonicContact OD2-NE 3.35Å; D42-R259 IonicContact OD2-NH1 3.21Å; D42-R259 PolarHBondContact OD2-NH1 3.27Å; L45-R259 HydrophobicContact CD1-CB 3.75Å; W193-R259 CarbonylContact C-O 3.52Å; W193-R259 VanDerWaalsContact CA-O 3.25Å; W193-R259 WeakPolarHBondContact CA-O 3.1Å; T194-R259 HydrophobicContact CG2-CB 3.99Å; T194-R259 PolarHBondContact N-O 3.39Å; T194-R259 PolarHBondContact O-N 2.87Å; L257-R259 HydrophobicContact CD2-CG 4.26Å; L257-R259 HydrophobicContact CG-CG 4.44Å
260S98.1Very high97.2Very high4 Ų464.4 Ų64.43%0.02833%0.326CS..EExtended strand (participates in β ladder)trans-128.1138.4-177.7-149.70000112.2R40 R41 D42 W193 K214 N262R40-S260 PolarHBondContact O-N 3.21Å; R41-S260 WeakPolarHBondContact CA-O 3.45Å; D42-S260 PolarHBondContact N-O 3.07Å; W193-S260 PolarHBondContact NE1-OG 2.83Å; K214-S260 WeakPolarHBondContact CE-OG 3.42Å; K214-S260 PolarHBondContact NZ-OG 2.7Å; S260-N262 VanDerWaalsContact C-N 3.32Å; S260-N262 PolarHBondContact O-N 3.19Å; S260-N262 PolarHBondContact OG-O 3.22Å
261S97.3Very high97Very high19 Ų1964.8 Ų64.813%0.13332%0.321CS..  trans-73.8-19.4-178.965.30000114.4H191 Y192H191-S261 WeakPolarHBondContact CA-OG 3.4Å; H191-S261 PolarHBondContact ND1-OG 2.68Å; Y192-S261 PolarHBondContact N-OG 2.65Å; Y192-S261 PolarHBondContact O-N 3.01Å; Y192-S261 PolarHBondContact O-OG 3.13Å
262N91.4Very high96.9Very high78 Ų7866.7 Ų66.742%0.41733%0.332SS..  trans-146.70-178.268-41.5000111.8R41 H191 K214 S260R41-N262 WeakPolarHBondContact CD-OXT 3.48Å; R41-N262 PolarHBondContact NE-OXT 2.85Å; H191-N262 WeakPolarHBondContact CB-OD1 3.17Å; H191-N262 PolarHBondContact CD2-ND2 2.98Å; K214-N262 WeakPolarHBondContact CD-OD1 3.17Å; K214-N262 WeakPolarHBondContact CE-OD1 3.24Å; K214-N262 PolarHBondContact NZ-O 3.41Å; K214-N262 PolarHBondContact NZ-OD1 3.09Å; S260-N262 VanDerWaalsContact C-N 3.32Å; S260-N262 PolarHBondContact O-N 3.19Å; S260-N262 PolarHBondContact OG-O 3.22Å

Retrieved 262 of 262 residues in 395.2 ms (Link to these results)

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