A0A3B3VI78_9TELE Loading...

Acyl-coenzyme A oxidase

AlphaFold DB , UniProt , Accession A0A3B3VI78, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 661 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
1M93.4Very high97.5Very high110 Ų11061.1 Ų61.154%0.54231%0.307SS..  0137.70-172.4173.7-72.500107.2I5 T6 R9 Y624 D625M1-I5 HydrophobicContact CG-CG2 3.84Å; M1-I5 HydrophobicContact SD-CG2 4.48Å; M1-T6 WeakPolarHBondContact CG-OG1 3.46Å; M1-T6 PolarHBondContact SD-OG1 2.82Å; M1-R9 VanDerWaalsContact CE-NH1 3.27Å; M1-R9 PolarHBondContact SD-NH1 3.2Å; M1-Y624 HydrophobicContact CE-CD1 3.84Å; M1-Y624 HydrophobicContact CE-CE1 3.47Å; M1-Y624 VanDerWaalsContact CE-CE1 3.47Å; M1-D625 CarbonylContact C-O 3.48Å; M1-D625 VanDerWaalsContact CA-O 3.29Å; M1-D625 WeakPolarHBondContact CA-O 3.47Å; M1-D625 WeakPolarHBondContact CG-O 3.32Å
2N97.9Very high97.5Very high26 Ų2658.6 Ų58.614%0.13930%0.302CS..  trans-60.2134.4178-179.9-50.6000110.1D4 I5 T6 D625 G626 N627N2-D4 VanDerWaalsContact C-N 3.3Å; N2-D4 PolarHBondContact O-N 3.48Å; N2-D4 WeakPolarHBondContact OD1-CB 3.28Å; N2-D4 PolarHBondContact OD1-N 3.43Å; N2-D4 PolarHBondContact OD1-OD2 3.21Å; N2-I5 HydrophobicContact CB-CG2 4.09Å; N2-I5 WeakPolarHBondContact O-CG2 3.38Å; N2-T6 PolarHBondContact O-N 3.2Å; N2-T6 PolarHBondContact O-OG1 2.94Å; N2-D625 PolarHBondContact N-O 3.05Å; N2-G626 WeakPolarHBondContact CB-O 3.43Å; N2-G626 PolarHBondContact ND2-O 3.4Å; N2-N627 PolarHBondContact N-OD1 2.7Å
3P98.2Very high97.6Very high97 Ų9759.8 Ų59.863%0.6332%0.319SS*.Hα-helixtrans-58.9-35.4179.7-25.935.2000114.4T6 R7P3-T6 WeakPolarHBondContact O-CB 3.45Å; P3-T6 PolarHBondContact O-N 3.3Å; P3-R7 PolarHBondContact O-N 2.86Å
4D98.2Very high97.6Very high30 Ų3056.8 Ų56.816%0.1630%0.302CS..Hα-helixtrans-67.3-49.3-177.2-64.4-48.4000111.6N2 T6 R7 E8 A305 H308N2-D4 VanDerWaalsContact C-N 3.3Å; N2-D4 PolarHBondContact O-N 3.48Å; N2-D4 WeakPolarHBondContact OD1-CB 3.28Å; N2-D4 PolarHBondContact OD1-N 3.43Å; N2-D4 PolarHBondContact OD1-OD2 3.21Å; D4-T6 PolarHBondContact O-N 3.42Å; D4-R7 WeakPolarHBondContact O-CB 3.41Å; D4-R7 PolarHBondContact O-N 3.09Å; D4-R7 IonicContact OD1-CZ 3.52Å; D4-R7 VanDerWaalsContact OD1-CZ 3.26Å; D4-R7 IonicContact OD1-NH1 2.8Å; D4-R7 PolarHBondContact OD1-NH1 3.25Å; D4-R7 IonicContact OD1-NH2 2.8Å; D4-R7 PolarHBondContact OD1-NH2 3.36Å; D4-E8 WeakPolarHBondContact O-CG 3.35Å; D4-E8 PolarHBondContact O-N 3.08Å; D4-E8 VanDerWaalsContact O-N 3.1Å; D4-A305 WeakPolarHBondContact CB-O 3.2Å; D4-H308 IonicContact OD1-NE2 3.85Å; D4-H308 IonicContact OD2-NE2 3.79Å; D4-H308 PolarHBondContact OD2-NE2 3.25Å
5I97.4Very high97.7Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-65.9-30.5176.9-158.7168.9000111.8M1 N2 E8 R9 R302 V306 V604M1-I5 HydrophobicContact CG-CG2 3.84Å; M1-I5 HydrophobicContact SD-CG2 4.48Å; N2-I5 HydrophobicContact CB-CG2 4.09Å; N2-I5 WeakPolarHBondContact O-CG2 3.38Å; I5-E8 PolarHBondContact O-N 3.38Å; I5-R9 WeakPolarHBondContact O-CG 3.46Å; I5-R9 PolarHBondContact O-N 3.47Å; I5-R9 VanDerWaalsContact O-N 3.15Å; I5-R302 HydrophobicContact CD1-CB 4.05Å; I5-R302 HydrophobicContact CD1-CG 3.93Å; I5-V306 HydrophobicContact CB-CG2 4.28Å; I5-V604 HydrophobicContact CD1-CG1 4.39Å; I5-V604 HydrophobicContact CG1-CG1 3.86Å
6T98.3Very high97.7Very high39 Ų3957 Ų5724%0.23931%0.305CS..Hα-helixtrans-65.2-44.9175-54.70000110.8M1 N2 P3 D4 E8 R9 Q10M1-T6 WeakPolarHBondContact CG-OG1 3.46Å; M1-T6 PolarHBondContact SD-OG1 2.82Å; N2-T6 PolarHBondContact O-N 3.2Å; N2-T6 PolarHBondContact O-OG1 2.94Å; P3-T6 WeakPolarHBondContact O-CB 3.45Å; P3-T6 PolarHBondContact O-N 3.3Å; D4-T6 PolarHBondContact O-N 3.42Å; T6-E8 VanDerWaalsContact C-N 3.3Å; T6-E8 PolarHBondContact O-N 3.24Å; T6-R9 PolarHBondContact O-N 3.41Å; T6-Q10 WeakPolarHBondContact O-CG 3.42Å; T6-Q10 PolarHBondContact O-N 3.44Å; T6-Q10 VanDerWaalsContact O-N 3.08Å
7R98.3Very high97.8Very high95 Ų9556.9 Ų56.936%0.35830%0.302SS..Hα-helixtrans-58.7-42.6175.3-178.2175.964.5-114.30.1111.2P3 D4 R9 Q10 N11P3-R7 PolarHBondContact O-N 2.86Å; D4-R7 WeakPolarHBondContact O-CB 3.41Å; D4-R7 PolarHBondContact O-N 3.09Å; D4-R7 IonicContact OD1-CZ 3.52Å; D4-R7 VanDerWaalsContact OD1-CZ 3.26Å; D4-R7 IonicContact OD1-NH1 2.8Å; D4-R7 PolarHBondContact OD1-NH1 3.25Å; D4-R7 IonicContact OD1-NH2 2.8Å; D4-R7 PolarHBondContact OD1-NH2 3.36Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.39Å; R7-Q10 PolarHBondContact O-N 2.8Å; R7-N11 VanDerWaalsContact O-CG 3.26Å; R7-N11 PolarHBondContact O-N 3.1Å; R7-N11 PolarHBondContact O-ND2 3.14Å
8E98.6Very high97.8Very high3 Ų358.8 Ų58.81%0.01431%0.307CS..Hα-helixtrans-62.7-38.2176.9-61.6-51.7160.700113.6D4 I5 T6 N11 A305 Q320 R600 V604D4-E8 WeakPolarHBondContact O-CG 3.35Å; D4-E8 PolarHBondContact O-N 3.08Å; D4-E8 VanDerWaalsContact O-N 3.1Å; I5-E8 PolarHBondContact O-N 3.38Å; T6-E8 VanDerWaalsContact C-N 3.3Å; T6-E8 PolarHBondContact O-N 3.24Å; E8-N11 PolarHBondContact O-N 2.89Å; E8-A305 HydrophobicContact CG-CB 3.89Å; E8-Q320 PolarHBondContact OE1-NE2 3.32Å; E8-Q320 PolarHBondContact OE1-OE1 3.45Å; E8-Q320 VanDerWaalsContact OE1-OE1 3.12Å; E8-R600 IonicContact OE1-CZ 2.69Å; E8-R600 IonicContact OE1-NH1 3.87Å; E8-R600 PolarHBondContact OE1-NH1 3.44Å; E8-R600 VanDerWaalsContact OE1-NH1 3.16Å; E8-R600 IonicContact OE1-NH2 2.77Å; E8-R600 PolarHBondContact OE1-NH2 3.41Å; E8-R600 IonicContact OE2-CZ 2.92Å; E8-R600 IonicContact OE2-NH1 2.85Å; E8-R600 PolarHBondContact OE2-NH1 2.77Å; E8-R600 IonicContact OE2-NH2 2.78Å; E8-V604 HydrophobicContact CB-CB 3.74Å; E8-V604 HydrophobicContact CB-CG1 4.3Å; E8-V604 HydrophobicContact CB-CG2 3.48Å; E8-V604 VanDerWaalsContact CB-CG2 3.48Å; E8-V604 HydrophobicContact CG-CG2 3.82Å
9R98.4Very high97.9Very high40 Ų4055.7 Ų55.715%0.15129%0.291CS..Hα-helixtrans-68.1-37.5176.7-72.7169.9170.9140.68.2112.6M1 I5 T6 R7 N11 A12 V604 D608 Y624M1-R9 VanDerWaalsContact CE-NH1 3.27Å; M1-R9 PolarHBondContact SD-NH1 3.2Å; I5-R9 WeakPolarHBondContact O-CG 3.46Å; I5-R9 PolarHBondContact O-N 3.47Å; I5-R9 VanDerWaalsContact O-N 3.15Å; T6-R9 PolarHBondContact O-N 3.41Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.39Å; R9-N11 PolarHBondContact O-N 3.28Å; R9-A12 VanDerWaalsContact O-CB 3.28Å; R9-A12 WeakPolarHBondContact O-CB 3.29Å; R9-A12 PolarHBondContact O-N 2.78Å; R9-V604 HydrophobicContact CG-CG1 3.94Å; R9-D608 IonicContact CZ-OD2 2.86Å; R9-D608 IonicContact NE-OD2 3.95Å; R9-D608 PolarHBondContact NE-OD2 2.73Å; R9-D608 IonicContact NH2-OD1 3.73Å; R9-D608 PolarHBondContact NH2-OD1 2.81Å; R9-D608 IonicContact NH2-OD2 3.32Å; R9-D608 PolarHBondContact NH2-OD2 3.5Å; R9-D608 VanDerWaalsContact NH2-OD2 3.1Å; R9-Y624 VanDerWaalsContact CZ-CZ 3.5Å; R9-Y624 VanDerWaalsContact CZ-O 3.27Å; R9-Y624 PolarHBondContact NH1-O 3.35Å; R9-Y624 PolarHBondContact NH2-O 3.32Å
10Q98.1Very high97.9Very high150 Ų15053 Ų5370%0.70128%0.277SS*.Hα-helixtrans-67.4-23.5178.2-71.4171.8-10.400112.7T6 R7 A12T6-Q10 WeakPolarHBondContact O-CG 3.42Å; T6-Q10 PolarHBondContact O-N 3.44Å; T6-Q10 VanDerWaalsContact O-N 3.08Å; R7-Q10 PolarHBondContact O-N 2.8Å; Q10-A12 VanDerWaalsContact C-N 3.27Å; Q10-A12 PolarHBondContact O-N 2.82Å
11N96.3Very high97.9Very high82 Ų8254 Ų5444%0.43928%0.278SS..THydrogen-bonded Turntrans-80.6-4.4177.6-67.5-25.4000113.8R7 E8 R9 S13 P601R7-N11 VanDerWaalsContact O-CG 3.26Å; R7-N11 PolarHBondContact O-N 3.1Å; R7-N11 PolarHBondContact O-ND2 3.14Å; E8-N11 PolarHBondContact O-N 2.89Å; R9-N11 PolarHBondContact O-N 3.28Å; N11-S13 PolarHBondContact O-N 3.32Å; N11-P601 HydrophobicContact CB-CB 4.15Å
12A97.4Very high98.1Very high31 Ų3150.5 Ų50.526%0.25626%0.261SS..  trans-60.9131.3-177.800000111.7R9 Q10 N602 A605R9-A12 VanDerWaalsContact O-CB 3.28Å; R9-A12 WeakPolarHBondContact O-CB 3.29Å; R9-A12 PolarHBondContact O-N 2.78Å; Q10-A12 VanDerWaalsContact C-N 3.27Å; Q10-A12 PolarHBondContact O-N 2.82Å; A12-N602 WeakPolarHBondContact CA-OD1 3.38Å; A12-A605 HydrophobicContact CB-CB 3.54Å
13S98.1Very high98.1Very high74 Ų7450.2 Ų50.252%0.51726%0.26SS..SBendtrans-94.17.3179.671.60000113.5N11 A550 N602N11-S13 PolarHBondContact O-N 3.32Å; S13-A550 WeakPolarHBondContact O-CB 3.38Å; S13-N602 PolarHBondContact N-OD1 3.06Å; S13-N602 PolarHBondContact OG-ND2 3.09Å; S13-N602 PolarHBondContact OG-OD1 2.88Å
14F98.5Very high98Very high18 Ų1847.3 Ų47.38%0.07924%0.239CC..SBendtrans-146162.9-177.170.7-83.5000110.9V16 L19 A550 I551 V554 N602 A605 L606F14-V16 HydrophobicContact CE2-CG2 4.24Å; F14-V16 PolarHBondContact O-N 3.32Å; F14-L19 HydrophobicContact CD2-CB 4.25Å; F14-L19 HydrophobicContact CD2-CD2 4.18Å; F14-L19 HydrophobicContact CE2-CB 3.98Å; F14-L19 HydrophobicContact CE2-CD2 3.46Å; F14-L19 VanDerWaalsContact CE2-CD2 3.46Å; F14-L19 HydrophobicContact CE2-CG 4.38Å; F14-L19 HydrophobicContact CZ-CD2 3.99Å; F14-A550 HydrophobicContact CB-CB 3.99Å; F14-I551 HydrophobicContact CB-CG1 4.16Å; F14-I551 HydrophobicContact CD2-CG1 4.22Å; F14-V554 HydrophobicContact CD1-CB 4.29Å; F14-V554 HydrophobicContact CD1-CG1 3.88Å; F14-V554 HydrophobicContact CD1-CG2 4.32Å; F14-V554 HydrophobicContact CE1-CG1 4.21Å; F14-V554 HydrophobicContact CE1-CG2 4.28Å; F14-V554 HydrophobicContact CG-CG1 4.07Å; F14-N602 WeakPolarHBondContact CD1-OD1 3.38Å; F14-N602 HydrophobicContact CE1-CB 4.07Å; F14-A605 HydrophobicContact CE1-CB 3.89Å; F14-A605 HydrophobicContact CZ-CB 3.79Å; F14-L606 HydrophobicContact CE1-CD2 4.01Å; F14-L606 HydrophobicContact CE1-CG 3.99Å; F14-L606 HydrophobicContact CZ-CD2 3.74Å; F14-L606 HydrophobicContact CZ-CG 3.93Å
15D98.4Very high97.8Very high74 Ų7448.5 Ų48.540%0.39626%0.258SS..  trans-82.2112.1176-173.6-23.6000110.5E17 K18 L19D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 PolarHBondContact O-N 3.34Å; D15-E17 WeakPolarHBondContact OD1-CB 3.38Å; D15-E17 PolarHBondContact OD1-N 3.15Å; D15-K18 HydrophobicContact CB-CB 4.18Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.1Å; D15-K18 PolarHBondContact O-N 2.7Å; D15-K18 PolarHBondContact OD1-N 2.77Å; D15-L19 PolarHBondContact O-N 2.77Å
16V98.5Very high97.7Very high43 Ų4349.4 Ų49.426%0.26127%0.267SS..Hα-helixtrans-57.9-41.6-179.7175.70000111.5F14 L19 T20 A605 D608 A609F14-V16 HydrophobicContact CE2-CG2 4.24Å; F14-V16 PolarHBondContact O-N 3.32Å; V16-L19 PolarHBondContact O-N 3.16Å; V16-T20 PolarHBondContact O-N 2.95Å; V16-T20 PolarHBondContact O-OG1 3.47Å; V16-A605 HydrophobicContact CG2-CB 3.81Å; V16-D608 HydrophobicContact CG1-CB 4.2Å; V16-A609 HydrophobicContact CG1-CB 3.98Å
17E98.4Very high97.7Very high55 Ų5550.7 Ų50.726%0.25728%0.276SS..Hα-helixtrans-67.4-42.3-174.6-179.669.1-177.400111D15 L19 T20 Y21 R34D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 PolarHBondContact O-N 3.34Å; D15-E17 WeakPolarHBondContact OD1-CB 3.38Å; D15-E17 PolarHBondContact OD1-N 3.15Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.4Å; E17-T20 WeakPolarHBondContact O-CB 3.42Å; E17-T20 PolarHBondContact O-N 3.1Å; E17-Y21 HydrophobicContact CG-CE1 3.82Å; E17-Y21 HydrophobicContact CG-CE2 4.13Å; E17-Y21 VanDerWaalsContact CG-CZ 3.48Å; E17-Y21 WeakPolarHBondContact CG-OH 3.41Å; E17-Y21 WeakPolarHBondContact O-CD1 3.39Å; E17-Y21 PolarHBondContact O-N 3.35Å; E17-Y21 WeakPolarHBondContact OE1-CE1 3.45Å; E17-Y21 VanDerWaalsContact OE1-CZ 3.29Å; E17-Y21 PolarHBondContact OE1-OH 3.13Å; E17-R34 IonicContact OE1-CZ 3.32Å; E17-R34 IonicContact OE1-NH1 2.8Å; E17-R34 PolarHBondContact OE1-NH1 3.31Å; E17-R34 IonicContact OE1-NH2 3.65Å; E17-R34 IonicContact OE2-CZ 3.1Å; E17-R34 VanDerWaalsContact OE2-CZ 3.32Å; E17-R34 IonicContact OE2-NH1 3.26Å; E17-R34 PolarHBondContact OE2-NH1 3.34Å; E17-R34 IonicContact OE2-NH2 2.7Å; E17-R34 PolarHBondContact OE2-NH2 3.11Å
18K98.4Very high97.6Very high91 Ų9152.6 Ų52.640%0.39629%0.289SS..Hα-helixtrans-63.8-34.7174.4-71.3-172.1-162.1179.80112.5D15 Y21 I22 D548 I551D15-K18 HydrophobicContact CB-CB 4.18Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.1Å; D15-K18 PolarHBondContact O-N 2.7Å; D15-K18 PolarHBondContact OD1-N 2.77Å; K18-Y21 WeakPolarHBondContact O-CB 3.08Å; K18-Y21 PolarHBondContact O-N 2.9Å; K18-I22 PolarHBondContact O-N 2.65Å; K18-D548 WeakPolarHBondContact CD-OD2 3.33Å; K18-D548 IonicContact NZ-OD2 2.76Å; K18-D548 PolarHBondContact NZ-OD2 2.91Å; K18-I551 HydrophobicContact CB-CD1 3.49Å; K18-I551 VanDerWaalsContact CB-CD1 3.49Å
19L98.7Very high97.5Very high0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-68.4-40.6174.3-179.553.3000110.8F14 D15 V16 E17 Y21 I22 L23 Y339 I551 L555 L606 A609F14-L19 HydrophobicContact CD2-CB 4.25Å; F14-L19 HydrophobicContact CD2-CD2 4.18Å; F14-L19 HydrophobicContact CE2-CB 3.98Å; F14-L19 HydrophobicContact CE2-CD2 3.46Å; F14-L19 VanDerWaalsContact CE2-CD2 3.46Å; F14-L19 HydrophobicContact CE2-CG 4.38Å; F14-L19 HydrophobicContact CZ-CD2 3.99Å; D15-L19 PolarHBondContact O-N 2.77Å; V16-L19 PolarHBondContact O-N 3.16Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.4Å; L19-Y21 VanDerWaalsContact C-N 3.26Å; L19-Y21 PolarHBondContact O-N 2.74Å; L19-I22 HydrophobicContact CD1-CB 4.48Å; L19-I22 WeakPolarHBondContact O-CB 3.45Å; L19-I22 PolarHBondContact O-N 2.95Å; L19-L23 HydrophobicContact CD1-CG 4.45Å; L19-L23 HydrophobicContact CG-CD1 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L23 VanDerWaalsContact O-N 3.09Å; L19-Y339 HydrophobicContact CD1-CE1 4.15Å; L19-Y339 HydrophobicContact CD2-CE1 3.98Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.41Å; L19-Y339 HydrophobicContact CG-CE1 4.3Å; L19-I551 HydrophobicContact CB-CD1 4.15Å; L19-I551 HydrophobicContact CD1-CG2 3.79Å; L19-L555 HydrophobicContact CD1-CD1 4.02Å; L19-L555 HydrophobicContact CD1-CD2 4.14Å; L19-L555 HydrophobicContact CD1-CG 4.35Å; L19-L606 HydrophobicContact CD2-CD2 3.95Å; L19-A609 HydrophobicContact CB-CB 4.03Å; L19-A609 HydrophobicContact CD2-CB 3.7Å; L19-A609 HydrophobicContact CG-CB 3.79Å
20T98.7Very high97.5Very high2 Ų254.9 Ų54.91%0.01230%0.3CS..Hα-helixtrans-55.4-42.1171.9-56.90000111.6V16 E17 I22 L23 D24 T30 A609 D611V16-T20 PolarHBondContact O-N 2.95Å; V16-T20 PolarHBondContact O-OG1 3.47Å; E17-T20 WeakPolarHBondContact O-CB 3.42Å; E17-T20 PolarHBondContact O-N 3.1Å; T20-I22 VanDerWaalsContact C-N 3.3Å; T20-I22 PolarHBondContact O-N 2.7Å; T20-L23 PolarHBondContact O-N 2.76Å; T20-L23 VanDerWaalsContact O-N 3.09Å; T20-D24 PolarHBondContact O-N 2.78Å; T20-T30 HydrophobicContact CG2-CG2 3.76Å; T20-A609 PolarHBondContact OG1-O 2.78Å; T20-D611 HydrophobicContact CG2-CB 3.72Å
21Y98.3Very high97.5Very high73 Ų7353.1 Ų53.129%0.28629%0.29SS..Hα-helixtrans-59-40175.4-59.6-16.9000112.5E17 K18 L19 L23 G25 G26 P27 T30E17-Y21 HydrophobicContact CG-CE1 3.82Å; E17-Y21 HydrophobicContact CG-CE2 4.13Å; E17-Y21 VanDerWaalsContact CG-CZ 3.48Å; E17-Y21 WeakPolarHBondContact CG-OH 3.41Å; E17-Y21 WeakPolarHBondContact O-CD1 3.39Å; E17-Y21 PolarHBondContact O-N 3.35Å; E17-Y21 WeakPolarHBondContact OE1-CE1 3.45Å; E17-Y21 VanDerWaalsContact OE1-CZ 3.29Å; E17-Y21 PolarHBondContact OE1-OH 3.13Å; K18-Y21 WeakPolarHBondContact O-CB 3.08Å; K18-Y21 PolarHBondContact O-N 2.9Å; L19-Y21 VanDerWaalsContact C-N 3.26Å; L19-Y21 PolarHBondContact O-N 2.74Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 3.14Å; Y21-G25 CarbonylContact O-C 3.48Å; Y21-G25 PolarHBondContact O-N 3.39Å; Y21-G26 WeakPolarHBondContact O-CA 3.43Å; Y21-G26 PolarHBondContact O-N 2.95Å; Y21-P27 HydrophobicContact CD1-CB 4.13Å; Y21-P27 HydrophobicContact CD2-CB 3.92Å; Y21-P27 HydrophobicContact CE1-CB 4.11Å; Y21-P27 HydrophobicContact CE2-CB 3.89Å; Y21-P27 HydrophobicContact CG-CB 4.05Å; Y21-T30 HydrophobicContact CD1-CG2 3.95Å; Y21-T30 WeakPolarHBondContact CD1-OG1 3.22Å; Y21-T30 HydrophobicContact CE1-CG2 3.89Å
22I97.6Very high97.5Very high38 Ų3853.3 Ų53.320%0.19529%0.285CS..Hα-helixtrans-66.2-36.9177.6-66.3163.6000111.1K18 L19 T20 F343 V546 I551K18-I22 PolarHBondContact O-N 2.65Å; L19-I22 HydrophobicContact CD1-CB 4.48Å; L19-I22 WeakPolarHBondContact O-CB 3.45Å; L19-I22 PolarHBondContact O-N 2.95Å; T20-I22 VanDerWaalsContact C-N 3.3Å; T20-I22 PolarHBondContact O-N 2.7Å; I22-F343 HydrophobicContact CG2-CE1 4.36Å; I22-V546 HydrophobicContact CD1-CG1 4.12Å; I22-I551 HydrophobicContact CD1-CD1 4.15Å; I22-I551 HydrophobicContact CD1-CG2 3.8Å
23L97.2Very high97.5Very high20 Ų2052.5 Ų52.511%0.10528%0.275CS..Hα-helixtrans-72.7-37.6-179.8-62.9176.9000112.7L19 T20 Y21 Y339 T342 F343 Q346 F610L19-L23 HydrophobicContact CD1-CG 4.45Å; L19-L23 HydrophobicContact CG-CD1 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L23 VanDerWaalsContact O-N 3.09Å; T20-L23 PolarHBondContact O-N 2.76Å; T20-L23 VanDerWaalsContact O-N 3.09Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 3.14Å; L23-Y339 HydrophobicContact CD1-CE1 3.99Å; L23-Y339 HydrophobicContact CD2-CD1 3.98Å; L23-Y339 HydrophobicContact CD2-CE1 3.82Å; L23-Y339 HydrophobicContact CG-CE1 4.39Å; L23-T342 HydrophobicContact CD2-CG2 4.06Å; L23-F343 HydrophobicContact CD2-CE1 4Å; L23-F343 HydrophobicContact CD2-CZ 4.24Å; L23-Q346 PolarHBondContact O-NE2 3.01Å; L23-F610 HydrophobicContact CD1-CD1 3.86Å; L23-F610 HydrophobicContact CD1-CE1 4.25Å
24D95.3Very high97.4Very high36 Ų3652.6 Ų52.619%0.19326%0.264CS..Hα-helixtrans-83.7-11.7176.7-71.2-37000113.3T20 K29 T30 R33T20-D24 PolarHBondContact O-N 2.78Å; D24-K29 HydrophobicContact CB-CB 4.3Å; D24-K29 WeakPolarHBondContact O-CB 3.11Å; D24-K29 WeakPolarHBondContact O-CD 3.44Å; D24-T30 VanDerWaalsContact CB-OG1 3.22Å; D24-T30 WeakPolarHBondContact CB-OG1 3.42Å; D24-T30 VanDerWaalsContact OD2-CA 3.28Å; D24-T30 WeakPolarHBondContact OD2-CA 3.36Å; D24-T30 VanDerWaalsContact OD2-CB 3.26Å; D24-T30 WeakPolarHBondContact OD2-CB 3.33Å; D24-T30 WeakPolarHBondContact OD2-CG2 3.38Å; D24-T30 PolarHBondContact OD2-OG1 3.41Å; D24-R33 IonicContact OD1-CZ 3.59Å; D24-R33 IonicContact OD1-NE 3.57Å; D24-R33 PolarHBondContact OD1-NE 3.18Å; D24-R33 IonicContact OD1-NH2 3.35Å; D24-R33 IonicContact OD2-CZ 3.43Å; D24-R33 IonicContact OD2-NE 3.93Å; D24-R33 PolarHBondContact OD2-NE 3.25Å; D24-R33 IonicContact OD2-NH2 3.91Å; D24-R33 PolarHBondContact OD2-NH2 3.19Å
25G94.1Very high97.4Very high55 Ų5556.1 Ų56.157%0.56728%0.281SS*.THydrogen-bonded Turntrans85.618.6-177.500000114.7Y21Y21-G25 CarbonylContact O-C 3.48Å; Y21-G25 PolarHBondContact O-N 3.39Å
26G96.1Very high97.3Very high18 Ų1852.6 Ų52.619%0.18626%0.262CS..SBendtrans142.8163.2168.700000113.6Y21 E28 K29 T30Y21-G26 WeakPolarHBondContact O-CA 3.43Å; Y21-G26 PolarHBondContact O-N 2.95Å; G26-E28 VanDerWaalsContact C-N 3.32Å; G26-E28 PolarHBondContact O-N 2.89Å; G26-K29 PolarHBondContact O-N 2.9Å; G26-T30 PolarHBondContact O-N 3.31Å; G26-T30 VanDerWaalsContact O-N 3.08Å; G26-T30 PolarHBondContact O-OG1 3.34Å
27P97.6Very high97.2Very high67 Ų6751.2 Ų51.244%0.43525%0.253SS..Hα-helixtrans-60.9-36.3-178.623.3-33.6000113.5Y21 T30 K31Y21-P27 HydrophobicContact CD1-CB 4.13Å; Y21-P27 HydrophobicContact CD2-CB 3.92Å; Y21-P27 HydrophobicContact CE1-CB 4.11Å; Y21-P27 HydrophobicContact CE2-CB 3.89Å; Y21-P27 HydrophobicContact CG-CB 4.05Å; P27-T30 PolarHBondContact O-N 3.46Å; P27-K31 WeakPolarHBondContact O-CB 3.44Å; P27-K31 PolarHBondContact O-N 2.91Å
28E97.5Very high97.1Very high134 Ų13451.4 Ų51.463%0.62626%0.264SS*.Hα-helixtrans-67.8-39.5178.3-63.7-52.6136.600112.1G26 K31 R32G26-E28 VanDerWaalsContact C-N 3.32Å; G26-E28 PolarHBondContact O-N 2.89Å; E28-K31 PolarHBondContact O-N 3.36Å; E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 PolarHBondContact O-N 3.44Å
29K95.9Very high96.9Very high92 Ų9249.4 Ų49.440%0.426%0.257SS..Hα-helixtrans-65.2-43.6175-74.1-165.2165.8-1470111.5D24 G26 K31 R32 R33 E83D24-K29 HydrophobicContact CB-CB 4.3Å; D24-K29 WeakPolarHBondContact O-CB 3.11Å; D24-K29 WeakPolarHBondContact O-CD 3.44Å; G26-K29 PolarHBondContact O-N 2.9Å; K29-K31 PolarHBondContact O-N 3.5Å; K29-R32 PolarHBondContact O-N 3.02Å; K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 PolarHBondContact O-N 3.4Å; K29-E83 IonicContact NZ-OE1 3.91Å; K29-E83 PolarHBondContact NZ-OE1 2.98Å; K29-E83 IonicContact NZ-OE2 3.4Å; K29-E83 PolarHBondContact NZ-OE2 3.47Å
30T97.8Very high96.8Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-58.9-48.5173.8-610000111.9T20 Y21 D24 G26 P27 R32 R33 R34T20-T30 HydrophobicContact CG2-CG2 3.76Å; Y21-T30 HydrophobicContact CD1-CG2 3.95Å; Y21-T30 WeakPolarHBondContact CD1-OG1 3.22Å; Y21-T30 HydrophobicContact CE1-CG2 3.89Å; D24-T30 VanDerWaalsContact CB-OG1 3.22Å; D24-T30 WeakPolarHBondContact CB-OG1 3.42Å; D24-T30 VanDerWaalsContact OD2-CA 3.28Å; D24-T30 WeakPolarHBondContact OD2-CA 3.36Å; D24-T30 VanDerWaalsContact OD2-CB 3.26Å; D24-T30 WeakPolarHBondContact OD2-CB 3.33Å; D24-T30 WeakPolarHBondContact OD2-CG2 3.38Å; D24-T30 PolarHBondContact OD2-OG1 3.41Å; G26-T30 PolarHBondContact O-N 3.31Å; G26-T30 VanDerWaalsContact O-N 3.08Å; G26-T30 PolarHBondContact O-OG1 3.34Å; P27-T30 PolarHBondContact O-N 3.46Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 3.24Å; T30-R33 PolarHBondContact O-N 2.96Å; T30-R34 WeakPolarHBondContact O-CG 3.34Å; T30-R34 PolarHBondContact O-N 3.3Å
31K98.1Very high96.7Very high113 Ų11350.6 Ų50.649%0.49126%0.262SS..Hα-helixtrans-58.7-45.9177.8-178.1-177.4177-173.30111.1P27 E28 K29 R34 Q35P27-K31 WeakPolarHBondContact O-CB 3.44Å; P27-K31 PolarHBondContact O-N 2.91Å; E28-K31 PolarHBondContact O-N 3.36Å; K29-K31 PolarHBondContact O-N 3.5Å; K31-R34 PolarHBondContact O-N 2.65Å; K31-Q35 VanDerWaalsContact O-CG 3.31Å; K31-Q35 WeakPolarHBondContact O-CG 3.39Å; K31-Q35 PolarHBondContact O-N 3.29Å
32R96.6Very high96.5Very high85 Ų8551.6 Ų51.632%0.32128%0.28SS..Hα-helixtrans-65.6-43.8179.7-175.155.7176.2162.94.8112.3E28 K29 T30 R34 Q35 I36 E84E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 PolarHBondContact O-N 3.44Å; K29-R32 PolarHBondContact O-N 3.02Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 3.24Å; R32-R34 VanDerWaalsContact C-N 3.35Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-Q35 WeakPolarHBondContact O-CB 3.36Å; R32-Q35 PolarHBondContact O-N 3.47Å; R32-I36 HydrophobicContact CG-CD1 4.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.47Å; R32-I36 PolarHBondContact O-N 3.27Å; R32-E84 WeakPolarHBondContact CG-OE1 3.46Å; R32-E84 IonicContact CZ-OE1 2.7Å; R32-E84 IonicContact CZ-OE2 2.95Å; R32-E84 VanDerWaalsContact NE-CD 3.26Å; R32-E84 IonicContact NE-OE1 3.71Å; R32-E84 PolarHBondContact NE-OE1 3.38Å; R32-E84 IonicContact NE-OE2 3.32Å; R32-E84 PolarHBondContact NE-OE2 3.33Å; R32-E84 IonicContact NH2-OE1 3.47Å; R32-E84 IonicContact NH2-OE2 2.76Å; R32-E84 PolarHBondContact NH2-OE2 3.19Å
33R96.8Very high96.4Very high14 Ų1450.4 Ų50.45%0.05327%0.274CS..Hα-helixtrans-56.4-47.9173.9180179.557.964.15111.4D24 K29 T30 Q35 I36 E37 D611D24-R33 IonicContact OD1-CZ 3.59Å; D24-R33 IonicContact OD1-NE 3.57Å; D24-R33 PolarHBondContact OD1-NE 3.18Å; D24-R33 IonicContact OD1-NH2 3.35Å; D24-R33 IonicContact OD2-CZ 3.43Å; D24-R33 IonicContact OD2-NE 3.93Å; D24-R33 PolarHBondContact OD2-NE 3.25Å; D24-R33 IonicContact OD2-NH2 3.91Å; D24-R33 PolarHBondContact OD2-NH2 3.19Å; K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 PolarHBondContact O-N 3.4Å; T30-R33 PolarHBondContact O-N 2.96Å; R33-Q35 VanDerWaalsContact C-N 3.35Å; R33-Q35 PolarHBondContact O-N 2.98Å; R33-I36 PolarHBondContact O-N 3.21Å; R33-E37 IonicContact CZ-OE1 2.8Å; R33-E37 IonicContact NH1-OE1 2.6Å; R33-E37 PolarHBondContact NH1-OE1 3.49Å; R33-E37 IonicContact NH1-OE2 3.49Å; R33-E37 WeakPolarHBondContact O-CG 3.38Å; R33-E37 PolarHBondContact O-N 3.22Å; R33-D611 IonicContact CZ-OD2 2.78Å; R33-D611 VanDerWaalsContact CZ-OD2 3.25Å; R33-D611 IonicContact NH1-OD2 3.91Å; R33-D611 PolarHBondContact NH1-OD2 3.44Å; R33-D611 IonicContact NH2-OD2 2.9Å; R33-D611 PolarHBondContact NH2-OD2 2.96Å
34R97.7Very high96.3Very high77 Ų7753.7 Ų53.729%0.29130%0.296SS..Hα-helixtrans-64.5-35.2177.8-73.8176.3173.1164-2.6113.1E17 T30 K31 R32 E37 A38 D611E17-R34 IonicContact OE1-CZ 3.32Å; E17-R34 IonicContact OE1-NH1 2.8Å; E17-R34 PolarHBondContact OE1-NH1 3.31Å; E17-R34 IonicContact OE1-NH2 3.65Å; E17-R34 IonicContact OE2-CZ 3.1Å; E17-R34 VanDerWaalsContact OE2-CZ 3.32Å; E17-R34 IonicContact OE2-NH1 3.26Å; E17-R34 PolarHBondContact OE2-NH1 3.34Å; E17-R34 IonicContact OE2-NH2 2.7Å; E17-R34 PolarHBondContact OE2-NH2 3.11Å; T30-R34 WeakPolarHBondContact O-CG 3.34Å; T30-R34 PolarHBondContact O-N 3.3Å; K31-R34 PolarHBondContact O-N 2.65Å; R32-R34 VanDerWaalsContact C-N 3.35Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-E37 PolarHBondContact O-N 2.64Å; R34-A38 WeakPolarHBondContact O-CB 3.39Å; R34-A38 PolarHBondContact O-N 3.34Å; R34-D611 IonicContact CZ-OD1 3.13Å; R34-D611 IonicContact CZ-OD2 4Å; R34-D611 IonicContact NE-OD1 3.33Å; R34-D611 PolarHBondContact NE-OD1 2.95Å; R34-D611 IonicContact NE-OD2 2.82Å; R34-D611 PolarHBondContact NE-OD2 3.31Å; R34-D611 VanDerWaalsContact NH2-CG 3.27Å; R34-D611 IonicContact NH2-OD1 2.65Å; R34-D611 PolarHBondContact NH2-OD1 3.34Å; R34-D611 IonicContact NH2-OD2 3.78Å; R34-D611 PolarHBondContact NH2-OD2 2.94Å
35Q97.1Very high96.3Very high91 Ų9154.8 Ų54.843%0.42530%0.302SS..Hα-helixtrans-62.7-45172.8-74.8172.1-7.800111.7K31 R32 R33 A38 L39K31-Q35 VanDerWaalsContact O-CG 3.31Å; K31-Q35 WeakPolarHBondContact O-CG 3.39Å; K31-Q35 PolarHBondContact O-N 3.29Å; R32-Q35 WeakPolarHBondContact O-CB 3.36Å; R32-Q35 PolarHBondContact O-N 3.47Å; R33-Q35 VanDerWaalsContact C-N 3.35Å; R33-Q35 PolarHBondContact O-N 2.98Å; Q35-A38 PolarHBondContact O-N 2.71Å; Q35-L39 WeakPolarHBondContact O-CB 3.49Å; Q35-L39 PolarHBondContact O-N 3.27Å
36I96.6Very high96.4Very high1 Ų152.8 Ų52.81%0.00528%0.278CS..Hα-helixtrans-63.2-43.6176.3-68.7167.7000110.6R32 R33 L39 V40 E84 H87 Y88R32-I36 HydrophobicContact CG-CD1 4.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.47Å; R32-I36 PolarHBondContact O-N 3.27Å; R33-I36 PolarHBondContact O-N 3.21Å; I36-L39 WeakPolarHBondContact O-CB 3.32Å; I36-L39 PolarHBondContact O-N 2.78Å; I36-V40 WeakPolarHBondContact O-CG2 3.5Å; I36-V40 PolarHBondContact O-N 3.08Å; I36-E84 HydrophobicContact CD1-CB 3.79Å; I36-E84 HydrophobicContact CD1-CG 3.89Å; I36-H87 HydrophobicContact CD1-CB 4.33Å; I36-H87 HydrophobicContact CG2-CB 4.38Å; I36-Y88 VanDerWaalsContact CG2-CA 3.5Å; I36-Y88 HydrophobicContact CG2-CD2 3.86Å; I36-Y88 HydrophobicContact CG2-CG 4.18Å
37E96Very high96.1Very high13 Ų1356.6 Ų56.66%0.06129%0.294CS..Hα-helixtrans-58.4-48.4174.9-77.7173.9-166.300111.7R33 R34 L39 V40 F41 C91R33-E37 IonicContact CZ-OE1 2.8Å; R33-E37 IonicContact NH1-OE1 2.6Å; R33-E37 PolarHBondContact NH1-OE1 3.49Å; R33-E37 IonicContact NH1-OE2 3.49Å; R33-E37 WeakPolarHBondContact O-CG 3.38Å; R33-E37 PolarHBondContact O-N 3.22Å; R34-E37 PolarHBondContact O-N 2.64Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.41Å; E37-V40 PolarHBondContact O-N 2.76Å; E37-F41 HydrophobicContact CB-CD2 4.07Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CG-CE2 4.01Å; E37-F41 HydrophobicContact CG-CZ 4.44Å; E37-F41 VanDerWaalsContact O-CB 3.24Å; E37-F41 WeakPolarHBondContact O-CB 3.2Å; E37-F41 WeakPolarHBondContact O-CD2 3.35Å; E37-F41 WeakPolarHBondContact O-CG 3.48Å; E37-F41 PolarHBondContact O-N 2.94Å; E37-C91 WeakPolarHBondContact CG-SG 3.5Å
38A96.1Very high95.8Very high59 Ų5956.2 Ų56.249%0.48829%0.287SS..Hα-helixtrans-61.4-41.1177.800000112R34 Q35 S42R34-A38 WeakPolarHBondContact O-CB 3.39Å; R34-A38 PolarHBondContact O-N 3.34Å; Q35-A38 PolarHBondContact O-N 2.71Å; A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.28Å; A38-S42 VanDerWaalsContact O-N 3.09Å; A38-S42 PolarHBondContact O-OG 3.47Å
39L95.9Very high95.6Very high49 Ų4955.2 Ų55.226%0.25729%0.285SS..Hα-helixtrans-59.7-49.1177.4-173.263000111.4Q35 I36 E37 S42 D43 Y77 I79 Y88Q35-L39 WeakPolarHBondContact O-CB 3.49Å; Q35-L39 PolarHBondContact O-N 3.27Å; I36-L39 WeakPolarHBondContact O-CB 3.32Å; I36-L39 PolarHBondContact O-N 2.78Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.41Å; L39-S42 PolarHBondContact O-OG 3.15Å; L39-D43 PolarHBondContact O-N 3.39Å; L39-Y77 HydrophobicContact CD1-CE1 4.1Å; L39-Y77 HydrophobicContact CD1-CE2 3.87Å; L39-Y77 HydrophobicContact CD2-CD2 3.6Å; L39-Y77 HydrophobicContact CD2-CE2 3.67Å; L39-Y77 HydrophobicContact CD2-CG 4.07Å; L39-Y77 HydrophobicContact CG-CD2 4.27Å; L39-Y77 HydrophobicContact CG-CE2 3.81Å; L39-I79 HydrophobicContact CD2-CD1 4.32Å; L39-Y88 HydrophobicContact CD2-CE2 3.94Å; L39-Y88 HydrophobicContact CG-CE2 4.4Å
40V96.4Very high95.5Very high3 Ų352.4 Ų52.42%0.01828%0.275CS..Hα-helixtrans-71.7-43.4-179.6176.60000111.9I36 E37 S42 D43 F46 Y88 C91 V92I36-V40 WeakPolarHBondContact O-CG2 3.5Å; I36-V40 PolarHBondContact O-N 3.08Å; E37-V40 PolarHBondContact O-N 2.76Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 3.33Å; V40-D43 PolarHBondContact O-N 2.72Å; V40-F46 HydrophobicContact CB-CD2 4.49Å; V40-F46 HydrophobicContact CG1-CD2 3.8Å; V40-F46 HydrophobicContact CG1-CE2 4.38Å; V40-F46 HydrophobicContact CG1-CG 4.28Å; V40-Y88 HydrophobicContact CG2-CD1 3.77Å; V40-Y88 HydrophobicContact CG2-CD2 3.75Å; V40-Y88 HydrophobicContact CG2-CE1 3.6Å; V40-Y88 HydrophobicContact CG2-CE2 3.58Å; V40-Y88 HydrophobicContact CG2-CG 3.84Å; V40-Y88 VanDerWaalsContact CG2-CZ 3.49Å; V40-C91 HydrophobicContact CB-CB 3.78Å; V40-C91 HydrophobicContact CG1-CB 3.67Å; V40-C91 HydrophobicContact CG2-CB 4.01Å; V40-V92 HydrophobicContact CG1-CG2 3.74Å; V40-V92 HydrophobicContact CG2-CG2 4.29Å
41F95.1Very high95.3Very high25 Ų2552.6 Ų52.611%0.1128%0.276CS..Hα-helixtrans-74.8-18.5-174.1-65.8-26.7000114.2E37 C91 H613 K615 K616E37-F41 HydrophobicContact CB-CD2 4.07Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CG-CE2 4.01Å; E37-F41 HydrophobicContact CG-CZ 4.44Å; E37-F41 VanDerWaalsContact O-CB 3.24Å; E37-F41 WeakPolarHBondContact O-CB 3.2Å; E37-F41 WeakPolarHBondContact O-CD2 3.35Å; E37-F41 WeakPolarHBondContact O-CG 3.48Å; E37-F41 PolarHBondContact O-N 2.94Å; F41-C91 HydrophobicContact CE1-CB 3.84Å; F41-C91 HydrophobicContact CZ-CB 4.07Å; F41-H613 HydrophobicContact CD2-CB 4.44Å; F41-H613 AromaticContact CD2-CE1 3.81Å; F41-H613 AromaticContact CD2-CG 3.84Å; F41-H613 AromaticContact CD2-ND1 3.55Å; F41-H613 HydrophobicContact CE2-CB 3.63Å; F41-H613 AromaticContact CE2-CG 3.5Å; F41-H613 AromaticContact CE2-ND1 3.42Å; F41-H613 WeakPolarHBondContact CE2-ND1 3.39Å; F41-H613 HydrophobicContact CZ-CB 4.33Å; F41-K615 HydrophobicContact CB-CD 3.89Å; F41-K615 HydrophobicContact CD1-CB 4Å; F41-K615 HydrophobicContact CD1-CD 3.75Å; F41-K615 HydrophobicContact CE1-CB 3.85Å; F41-K615 HydrophobicContact CE1-CD 4.46Å; F41-K615 HydrophobicContact CE2-CB 4.49Å; F41-K615 HydrophobicContact CG-CB 4.39Å; F41-K615 HydrophobicContact CG-CD 3.8Å; F41-K615 HydrophobicContact CZ-CB 4.13Å; F41-K615 PolarHBondContact O-NZ 2.95Å; F41-K616 HydrophobicContact CZ-CB 4.23Å
42S94.9Very high95.1Very high93 Ų9348.7 Ų48.765%0.6526%0.26SS*.Hα-helixtrans-91.7-13.6174.160.60000113.4A38 L39 V40 P44A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.28Å; A38-S42 VanDerWaalsContact O-N 3.09Å; A38-S42 PolarHBondContact O-OG 3.47Å; L39-S42 PolarHBondContact O-OG 3.15Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 3.33Å; S42-P44 WeakPolarHBondContact O-CD 3.49Å
43D96.3Very high95.2Very high13 Ų1346.9 Ų46.97%0.0726%0.255CS..  trans-81118.6-177.1-169.5-27.9000111.3L39 V40 D45 F46 K73L39-D43 PolarHBondContact O-N 3.39Å; V40-D43 PolarHBondContact O-N 2.72Å; D43-D45 PolarHBondContact O-N 3.33Å; D43-D45 VanDerWaalsContact OD1-CB 3.3Å; D43-D45 WeakPolarHBondContact OD1-CB 3.43Å; D43-D45 PolarHBondContact OD1-N 3.42Å; D43-F46 HydrophobicContact CB-CD2 3.8Å; D43-F46 HydrophobicContact CB-CE2 4.1Å; D43-F46 PolarHBondContact O-N 3.28Å; D43-K73 IonicContact OD1-NZ 3.93Å; D43-K73 WeakPolarHBondContact OD2-CD 3.39Å; D43-K73 WeakPolarHBondContact OD2-CE 3.41Å; D43-K73 IonicContact OD2-NZ 3.91Å; D43-K73 PolarHBondContact OD2-NZ 3.08Å
44P95Very high95.2Very high89 Ų8947.6 Ų47.658%0.57826%0.26SS*.G310 helixtrans-65.3-20.6-179.128.2-35.8000113.5S42 F46 N47S42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-F46 PolarHBondContact O-N 3.44Å; P44-N47 VanDerWaalsContact O-CB 3.31Å; P44-N47 WeakPolarHBondContact O-CB 3.25Å; P44-N47 PolarHBondContact O-N 3.23Å; P44-N47 VanDerWaalsContact O-N 3.1Å
45D94.9Very high95.2Very high59 Ų5946.7 Ų46.732%0.31627%0.266SS..G310 helixtrans-63.7-23.7177.3-68-34000111.7D43 R65 Q69 K73D43-D45 PolarHBondContact O-N 3.33Å; D43-D45 VanDerWaalsContact OD1-CB 3.3Å; D43-D45 WeakPolarHBondContact OD1-CB 3.43Å; D43-D45 PolarHBondContact OD1-N 3.42Å; D45-R65 PolarHBondContact O-NH1 2.88Å; D45-Q69 HydrophobicContact CB-CB 4.47Å; D45-Q69 HydrophobicContact CB-CG 4.36Å; D45-K73 WeakPolarHBondContact OD2-CE 3.26Å; D45-K73 IonicContact OD2-NZ 3.32Å; D45-K73 PolarHBondContact OD2-NZ 2.68Å
46F95.4Very high95.2Very high13 Ų1345.5 Ų45.56%0.05726%0.257CS..G310 helixtrans-97.73.3177.4-56.3-54000114.7V40 D43 P44 K66 Q69 M70 K73 Y88 V92V40-F46 HydrophobicContact CB-CD2 4.49Å; V40-F46 HydrophobicContact CG1-CD2 3.8Å; V40-F46 HydrophobicContact CG1-CE2 4.38Å; V40-F46 HydrophobicContact CG1-CG 4.28Å; D43-F46 HydrophobicContact CB-CD2 3.8Å; D43-F46 HydrophobicContact CB-CE2 4.1Å; D43-F46 PolarHBondContact O-N 3.28Å; P44-F46 PolarHBondContact O-N 3.44Å; F46-K66 HydrophobicContact CD1-CB 4.49Å; F46-K66 PolarHBondContact O-NZ 3.09Å; F46-K66 VanDerWaalsContact O-NZ 3.08Å; F46-Q69 HydrophobicContact CE1-CB 3.84Å; F46-Q69 HydrophobicContact CZ-CB 4.42Å; F46-M70 HydrophobicContact CE1-CB 4.18Å; F46-M70 HydrophobicContact CZ-CB 4.44Å; F46-K73 HydrophobicContact CE2-CG 4.33Å; F46-K73 HydrophobicContact CZ-CB 4.42Å; F46-K73 HydrophobicContact CZ-CG 3.95Å; F46-Y88 HydrophobicContact CE2-CE1 4.12Å; F46-Y88 WeakPolarHBondContact CE2-OH 3.23Å; F46-Y88 AromaticContact CZ-CE1 3.99Å; F46-Y88 HydrophobicContact CZ-CE1 3.99Å; F46-V92 HydrophobicContact CD1-CB 4.45Å; F46-V92 HydrophobicContact CD1-CG1 3.74Å; F46-V92 HydrophobicContact CD1-CG2 4Å; F46-V92 HydrophobicContact CD2-CG2 4.37Å; F46-V92 HydrophobicContact CE1-CG1 3.95Å; F46-V92 HydrophobicContact CE1-CG2 3.85Å; F46-V92 HydrophobicContact CE2-CG2 4.27Å; F46-V92 HydrophobicContact CG-CG1 4.49Å; F46-V92 HydrophobicContact CG-CG2 4.26Å; F46-V92 HydrophobicContact CZ-CG2 4.01Å
47N91.1Very high95.2Very high99 Ų9949.7 Ų49.753%0.52929%0.287SS..  trans-57.9143.3168.7-73.8-21.4000110P44 R65P44-N47 VanDerWaalsContact O-CB 3.31Å; P44-N47 WeakPolarHBondContact O-CB 3.25Å; P44-N47 PolarHBondContact O-N 3.23Å; P44-N47 VanDerWaalsContact O-N 3.1Å; N47-R65 PolarHBondContact O-NH2 3.4Å
48E91.2Very high95.3Very high59 Ų5953.8 Ų53.828%0.27631%0.306SS..  trans-144.4150.1-175.760.5175.6-155.400110.9Q62 K66 R96E48-Q62 HydrophobicContact CB-CG 4.38Å; E48-K66 HydrophobicContact CB-CD 4.39Å; E48-K66 IonicContact OE2-NZ 2.61Å; E48-K66 PolarHBondContact OE2-NZ 3.43Å; E48-R96 IonicContact OE1-CZ 2.71Å; E48-R96 IonicContact OE1-NH1 2.9Å; E48-R96 PolarHBondContact OE1-NH1 2.85Å; E48-R96 IonicContact OE1-NH2 3.82Å; E48-R96 PolarHBondContact OE1-NH2 3.36Å; E48-R96 IonicContact OE2-CZ 2.72Å; E48-R96 IonicContact OE2-NH2 2.71Å; E48-R96 PolarHBondContact OE2-NH2 3.18Å
49D92.3Very high95.4Very high112 Ų11252.4 Ų52.460%0.59929%0.288SS*.  trans-71.6148.8159.1-65.9-43.8000108.7P51 L54 Q62D49-P51 WeakPolarHBondContact O-CD 3.35Å; D49-L54 HydrophobicContact CB-CD1 4.23Å; D49-L54 HydrophobicContact CB-CD2 4.07Å; D49-L54 HydrophobicContact CB-CG 4.32Å; D49-Q62 VanDerWaalsContact N-OE1 3.12Å; D49-Q62 PolarHBondContact O-NE2 2.88Å
50D93.9Very high95.5Very high34 Ų3452.6 Ų52.618%0.18229%0.285CS..  trans-57.4116.6176.2-173.4-26.2000108.6N52 F53 W635D50-N52 PolarHBondContact O-N 2.86Å; D50-N52 VanDerWaalsContact OD1-CB 3.24Å; D50-N52 WeakPolarHBondContact OD1-CB 3.31Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 3.24Å; D50-F53 HydrophobicContact CB-CD2 3.93Å; D50-F53 HydrophobicContact CB-CE2 4.21Å; D50-F53 HydrophobicContact CB-CG 4.32Å; D50-F53 WeakPolarHBondContact O-CB 3.31Å; D50-F53 PolarHBondContact O-N 3.08Å; D50-W635 PolarHBondContact OD2-NE1 3.48Å
51P93.3Very high95.5Very high4 Ų457.6 Ų57.63%0.02631%0.312CS..G310 helixtrans-57.7-25.3-177.4-32.243.3000112.7D49 F53 L54 R59 R96D49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-F53 PolarHBondContact O-N 2.73Å; P51-F53 VanDerWaalsContact O-N 3.12Å; P51-L54 PolarHBondContact O-N 3.37Å; P51-R59 HydrophobicContact CB-CG 4.13Å; P51-R59 PolarHBondContact O-NE 3.12Å; P51-R59 PolarHBondContact O-NH2 2.91Å; P51-R96 VanDerWaalsContact CG-NH1 3.31Å
52N95.2Very high95.6Very high30 Ų3057.2 Ų57.216%0.1631%0.311CS..G310 helixtrans-62.8-16.6175.4-67.6-54.1000114.4D50 R403 D409 W635D50-N52 PolarHBondContact O-N 2.86Å; D50-N52 VanDerWaalsContact OD1-CB 3.24Å; D50-N52 WeakPolarHBondContact OD1-CB 3.31Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 3.24Å; N52-R403 HydrophobicContact CB-CB 4.22Å; N52-R403 WeakPolarHBondContact OD1-CD 3.24Å; N52-D409 PolarHBondContact ND2-OD2 3.1Å; N52-D409 PolarHBondContact OD1-OD1 2.93Å; N52-D409 PolarHBondContact OD1-OD2 3.1Å; N52-W635 HydrophobicContact CB-CZ2 4.24Å
53F97.1Very high95.7Very high47 Ų4753 Ų5321%0.20628%0.282CS..G310 helixtrans-100.7-3176.1-59.2-17.9000113.3D50 P51 W635 R638 P640D50-F53 HydrophobicContact CB-CD2 3.93Å; D50-F53 HydrophobicContact CB-CE2 4.21Å; D50-F53 HydrophobicContact CB-CG 4.32Å; D50-F53 WeakPolarHBondContact O-CB 3.31Å; D50-F53 PolarHBondContact O-N 3.08Å; P51-F53 PolarHBondContact O-N 2.73Å; P51-F53 VanDerWaalsContact O-N 3.12Å; F53-W635 HydrophobicContact CD1-CZ2 4.48Å; F53-W635 HydrophobicContact CE1-CD2 4.34Å; F53-W635 AromaticContact CE1-CE2 3.72Å; F53-W635 AromaticContact CE1-CH2 3.84Å; F53-W635 HydrophobicContact CE1-CH2 3.84Å; F53-W635 AromaticContact CE1-CZ2 3.46Å; F53-W635 HydrophobicContact CE1-CZ2 3.46Å; F53-W635 VanDerWaalsContact CE1-CZ2 3.46Å; F53-W635 HydrophobicContact CE1-CZ3 4.42Å; F53-W635 AromaticContact CZ-CD2 3.89Å; F53-W635 HydrophobicContact CZ-CD2 3.89Å; F53-W635 AromaticContact CZ-CE2 3.49Å; F53-W635 VanDerWaalsContact CZ-CE2 3.49Å; F53-W635 HydrophobicContact CZ-CE3 4.45Å; F53-W635 HydrophobicContact CZ-CG 4.26Å; F53-W635 HydrophobicContact CZ-CH2 4.36Å; F53-W635 AromaticContact CZ-CZ2 3.78Å; F53-W635 HydrophobicContact CZ-CZ2 3.78Å; F53-W635 AromaticContact CZ-NE1 3.61Å; F53-W635 WeakPolarHBondContact CZ-O 3.16Å; F53-R638 HydrophobicContact CE2-CB 4.15Å; F53-P640 HydrophobicContact CB-CG 3.68Å; F53-P640 HydrophobicContact CD1-CG 4.39Å; F53-P640 HydrophobicContact CG-CG 4.17Å; F53-P640 WeakPolarHBondContact O-CG 3.17Å
54L96.9Very high95.7Very high29 Ų2954.9 Ų54.915%0.15229%0.294CS..SBendtrans-101.7145.3-178.9-60.4-177.2000111.7D49 P51 E58 R59D49-L54 HydrophobicContact CB-CD1 4.23Å; D49-L54 HydrophobicContact CB-CD2 4.07Å; D49-L54 HydrophobicContact CB-CG 4.32Å; P51-L54 PolarHBondContact O-N 3.37Å; L54-E58 HydrophobicContact CB-CB 3.96Å; L54-E58 HydrophobicContact CD1-CB 4.37Å; L54-E58 HydrophobicContact CD2-CB 4.23Å; L54-E58 HydrophobicContact CG-CB 4.42Å; L54-R59 HydrophobicContact CB-CG 3.74Å; L54-R59 PolarHBondContact O-NE 2.9Å; L54-R59 VanDerWaalsContact O-NE 3.16Å
55S97.8Very high95.8Very high59 Ų5955 Ų5541%0.41328%0.283SS..  trans-64161.916572.60000111S57 E58 R59S55-S57 PolarHBondContact O-N 3.21Å; S55-E58 WeakPolarHBondContact CA-OE2 3.45Å; S55-E58 WeakPolarHBondContact CB-OE2 3.44Å; S55-E58 PolarHBondContact N-OE2 3.38Å; S55-E58 PolarHBondContact O-N 3.36Å; S55-E58 VanDerWaalsContact OG-CD 3.27Å; S55-E58 WeakPolarHBondContact OG-CG 3.26Å; S55-E58 PolarHBondContact OG-N 2.69Å; S55-E58 PolarHBondContact OG-OE2 2.89Å; S55-R59 VanDerWaalsContact O-CG 3.31Å; S55-R59 WeakPolarHBondContact O-CG 3.18Å; S55-R59 PolarHBondContact O-N 3.43Å
56R97.3Very high95.9Very high65 Ų6552.6 Ų52.625%0.24527%0.269CS..Hα-helixtrans-55.6-39178-179.6175.1176.9-121.7-1.7112.9R59 Y60 D225 G227 N233 V235R56-R59 PolarHBondContact O-N 3.35Å; R56-Y60 PolarHBondContact O-N 2.73Å; R56-D225 IonicContact CZ-OD1 3.69Å; R56-D225 IonicContact CZ-OD2 2.84Å; R56-D225 IonicContact NH1-OD1 2.73Å; R56-D225 IonicContact NH1-OD2 3.25Å; R56-D225 PolarHBondContact NH1-OD2 3.23Å; R56-D225 IonicContact NH2-OD1 2.7Å; R56-D225 PolarHBondContact NH2-OD1 3.06Å; R56-D225 IonicContact NH2-OD2 3.96Å; R56-D225 PolarHBondContact NH2-OD2 3.03Å; R56-G227 PolarHBondContact NH1-O 3.01Å; R56-N233 HydrophobicContact CG-CB 4.13Å; R56-N233 WeakPolarHBondContact CG-O 3.42Å; R56-N233 PolarHBondContact NE-O 2.91Å; R56-V235 PolarHBondContact NH2-O 3.27Å
57S98Very high95.8Very high90 Ų9052 Ų5263%0.62927%0.267SS*.Hα-helixtrans-66.1-44.1-179.4-167.20000111.5S55 R59 Y60 D61S55-S57 PolarHBondContact O-N 3.21Å; S57-R59 VanDerWaalsContact C-N 3.34Å; S57-Y60 PolarHBondContact O-N 3.32Å; S57-D61 PolarHBondContact O-N 2.73Å
58E97.9Very high95.9Very high99 Ų9949.7 Ų49.746%0.46326%0.261SS..Hα-helixtrans-66.4-37.1177.6-69.2159.2145.100111.4L54 S55 D61 Q62L54-E58 HydrophobicContact CB-CB 3.96Å; L54-E58 HydrophobicContact CD1-CB 4.37Å; L54-E58 HydrophobicContact CD2-CB 4.23Å; L54-E58 HydrophobicContact CG-CB 4.42Å; S55-E58 WeakPolarHBondContact CA-OE2 3.45Å; S55-E58 WeakPolarHBondContact CB-OE2 3.44Å; S55-E58 PolarHBondContact N-OE2 3.38Å; S55-E58 PolarHBondContact O-N 3.36Å; S55-E58 VanDerWaalsContact OG-CD 3.27Å; S55-E58 WeakPolarHBondContact OG-CG 3.26Å; S55-E58 PolarHBondContact OG-N 2.69Å; S55-E58 PolarHBondContact OG-OE2 2.89Å; E58-D61 PolarHBondContact O-N 3.01Å; E58-Q62 VanDerWaalsContact O-CB 3.31Å; E58-Q62 WeakPolarHBondContact O-CB 3.16Å; E58-Q62 PolarHBondContact O-N 3.21Å
59R96.9Very high96.1Very high30 Ų3049.7 Ų49.711%0.11326%0.261CS..Hα-helixtrans-61.2-46173.4-68.6179.9-172.1-141.62.5112.4P51 L54 S55 R56 S57 A63 E234P51-R59 HydrophobicContact CB-CG 4.13Å; P51-R59 PolarHBondContact O-NE 3.12Å; P51-R59 PolarHBondContact O-NH2 2.91Å; L54-R59 HydrophobicContact CB-CG 3.74Å; L54-R59 PolarHBondContact O-NE 2.9Å; L54-R59 VanDerWaalsContact O-NE 3.16Å; S55-R59 VanDerWaalsContact O-CG 3.31Å; S55-R59 WeakPolarHBondContact O-CG 3.18Å; S55-R59 PolarHBondContact O-N 3.43Å; R56-R59 PolarHBondContact O-N 3.35Å; S57-R59 VanDerWaalsContact C-N 3.34Å; R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 3.21Å; R59-E234 HydrophobicContact CB-CG 4.17Å; R59-E234 WeakPolarHBondContact CD-OE1 3.34Å; R59-E234 IonicContact NH1-OE1 2.69Å
60Y98Very high96.3Very high52 Ų5244.3 Ų44.320%0.20423%0.233CC..Hα-helixtrans-62.1-47.9176.6170.7-106.2000111.3R56 S57 Q62 A63 V64 P99 K182 T183 E234 D236R56-Y60 PolarHBondContact O-N 2.73Å; S57-Y60 PolarHBondContact O-N 3.32Å; Y60-Q62 PolarHBondContact O-N 3.46Å; Y60-A63 PolarHBondContact O-N 3.1Å; Y60-A63 VanDerWaalsContact O-N 3.14Å; Y60-V64 HydrophobicContact CD1-CG2 4.46Å; Y60-V64 HydrophobicContact CD2-CG2 4.09Å; Y60-V64 HydrophobicContact CE1-CG2 3.99Å; Y60-V64 HydrophobicContact CE2-CG2 3.56Å; Y60-V64 WeakPolarHBondContact O-CG2 3.43Å; Y60-V64 PolarHBondContact O-N 3.33Å; Y60-P99 HydrophobicContact CD2-CG 4.07Å; Y60-P99 HydrophobicContact CE2-CB 4.2Å; Y60-P99 HydrophobicContact CE2-CG 3.87Å; Y60-K182 HydrophobicContact CE1-CB 4.32Å; Y60-K182 WeakPolarHBondContact OH-CB 3.45Å; Y60-T183 PolarHBondContact OH-OG1 2.85Å; Y60-E234 WeakPolarHBondContact CD2-O 3.47Å; Y60-D236 HydrophobicContact CD2-CB 4.21Å; Y60-D236 HydrophobicContact CE2-CB 3.74Å; Y60-D236 WeakPolarHBondContact CE2-OD1 3.38Å
61D97.6Very high96.1Very high109 Ų10943.6 Ų43.658%0.58323%0.228SC*.Hα-helixtrans-56.9-50.1177.5-179.376.9000111.8S57 E58 A63 V64 R65S57-D61 PolarHBondContact O-N 2.73Å; E58-D61 PolarHBondContact O-N 3.01Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 3.35Å; D61-V64 PolarHBondContact O-N 2.75Å; D61-R65 WeakPolarHBondContact O-CB 3.12Å; D61-R65 PolarHBondContact O-N 2.99Å
62Q96.8Very high96.1Very high17 Ų1748 Ų488%0.07925%0.251CS..Hα-helixtrans-59.4-40175.9-179.8168.1-98.700112.2E48 D49 E58 Y60 K66E48-Q62 HydrophobicContact CB-CG 4.38Å; D49-Q62 VanDerWaalsContact N-OE1 3.12Å; D49-Q62 PolarHBondContact O-NE2 2.88Å; E58-Q62 VanDerWaalsContact O-CB 3.31Å; E58-Q62 WeakPolarHBondContact O-CB 3.16Å; E58-Q62 PolarHBondContact O-N 3.21Å; Y60-Q62 PolarHBondContact O-N 3.46Å; Q62-K66 HydrophobicContact CG-CD 4.19Å; Q62-K66 WeakPolarHBondContact O-CB 3.45Å; Q62-K66 WeakPolarHBondContact O-CG 3.45Å; Q62-K66 PolarHBondContact O-N 3.37Å
63A97Very high96.1Very high5 Ų547.8 Ų47.84%0.04125%0.249CC..Hα-helixtrans-66.2-43.3177.900000112.1R59 Y60 D61 K66 S67 H93 P99 E234R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 3.21Å; Y60-A63 PolarHBondContact O-N 3.1Å; Y60-A63 VanDerWaalsContact O-N 3.14Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 3.35Å; A63-K66 PolarHBondContact O-N 2.73Å; A63-S67 VanDerWaalsContact O-CB 3.29Å; A63-S67 WeakPolarHBondContact O-CB 3.43Å; A63-S67 PolarHBondContact O-N 2.88Å; A63-S67 PolarHBondContact O-OG 2.94Å; A63-S67 VanDerWaalsContact O-OG 3.09Å; A63-H93 PolarHBondContact O-CE1 3.44Å; A63-P99 HydrophobicContact CB-CG 4.17Å; A63-E234 HydrophobicContact CB-CB 3.97Å; A63-E234 HydrophobicContact CB-CG 4.36Å
64V96.5Very high95.9Very high52 Ų5246.1 Ų46.132%0.31524%0.242SC..Hα-helixtrans-62-48.4175.5173.20000110.6Y60 D61 K66 S67 A68 P99Y60-V64 HydrophobicContact CD1-CG2 4.46Å; Y60-V64 HydrophobicContact CD2-CG2 4.09Å; Y60-V64 HydrophobicContact CE1-CG2 3.99Å; Y60-V64 HydrophobicContact CE2-CG2 3.56Å; Y60-V64 WeakPolarHBondContact O-CG2 3.43Å; Y60-V64 PolarHBondContact O-N 3.33Å; D61-V64 PolarHBondContact O-N 2.75Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.71Å; V64-S67 PolarHBondContact O-N 3.18Å; V64-A68 PolarHBondContact O-N 2.87Å; V64-P99 HydrophobicContact CG2-CB 4.27Å; V64-P99 HydrophobicContact CG2-CG 3.81Å
65R96.4Very high95.6Very high92 Ų9250.1 Ų50.135%0.34726%0.255SS..Hα-helixtrans-53.1-51176.6-179.8-175.664.777.2-5.3111.3D45 N47 D61 A68 Q69D45-R65 PolarHBondContact O-NH1 2.88Å; N47-R65 PolarHBondContact O-NH2 3.4Å; D61-R65 WeakPolarHBondContact O-CB 3.12Å; D61-R65 PolarHBondContact O-N 2.99Å; R65-A68 PolarHBondContact O-N 3.21Å; R65-Q69 WeakPolarHBondContact O-CG 3.43Å; R65-Q69 PolarHBondContact O-N 3.32Å; R65-Q69 VanDerWaalsContact O-N 3.07Å
66K96.4Very high95.4Very high7 Ų753.7 Ų53.73%0.0327%0.265CS..Hα-helixtrans-66.3-38.9-179.7-73.3-178.258.5161.60112.5F46 E48 Q62 A63 V64 Q69 M70 V92F46-K66 HydrophobicContact CD1-CB 4.49Å; F46-K66 PolarHBondContact O-NZ 3.09Å; F46-K66 VanDerWaalsContact O-NZ 3.08Å; E48-K66 HydrophobicContact CB-CD 4.39Å; E48-K66 IonicContact OE2-NZ 2.61Å; E48-K66 PolarHBondContact OE2-NZ 3.43Å; Q62-K66 HydrophobicContact CG-CD 4.19Å; Q62-K66 WeakPolarHBondContact O-CB 3.45Å; Q62-K66 WeakPolarHBondContact O-CG 3.45Å; Q62-K66 PolarHBondContact O-N 3.37Å; A63-K66 PolarHBondContact O-N 2.73Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.71Å; K66-Q69 PolarHBondContact O-N 3.27Å; K66-M70 VanDerWaalsContact O-CB 3.31Å; K66-M70 WeakPolarHBondContact O-CB 3.45Å; K66-M70 PolarHBondContact O-N 2.98Å; K66-V92 HydrophobicContact CB-CG1 3.9Å; K66-V92 WeakPolarHBondContact CE-O 3.44Å; K66-V92 PolarHBondContact NZ-O 3.26Å
67S95.1Very high95.2Very high2 Ų254.7 Ų54.71%0.01427%0.27CS..Hα-helixtrans-64.7-39.3175.8-74.30000112.5A63 V64 M70 I71 H93 S98A63-S67 VanDerWaalsContact O-CB 3.29Å; A63-S67 WeakPolarHBondContact O-CB 3.43Å; A63-S67 PolarHBondContact O-N 2.88Å; A63-S67 PolarHBondContact O-OG 2.94Å; A63-S67 VanDerWaalsContact O-OG 3.09Å; V64-S67 PolarHBondContact O-N 3.18Å; S67-M70 WeakPolarHBondContact O-CB 3.48Å; S67-I71 VanDerWaalsContact O-CG1 3.26Å; S67-I71 WeakPolarHBondContact O-CG1 3.37Å; S67-I71 PolarHBondContact O-N 2.97Å; S67-H93 PolarHBondContact OG-CE1 3.43Å; S67-H93 PolarHBondContact OG-NE2 2.8Å; S67-S98 PolarHBondContact OG-OG 3.27Å
68A92.9Very high94.9Very high49 Ų4953.2 Ų53.241%0.40527%0.269SS..Hα-helixtrans-64.2-47.8174.300000111.5V64 R65 M70 I71 L72V64-A68 PolarHBondContact O-N 2.87Å; R65-A68 PolarHBondContact O-N 3.21Å; A68-M70 VanDerWaalsContact C-N 3.34Å; A68-M70 PolarHBondContact O-N 3.48Å; A68-I71 PolarHBondContact O-N 3.39Å; A68-L72 PolarHBondContact O-N 2.95Å
69Q95.4Very high94.7Very high59 Ų5949 Ų4928%0.27625%0.249SC..Hα-helixtrans-62-40.9177.1-70-58.5-23.500112.4D45 F46 R65 K66 I71 L72 K73D45-Q69 HydrophobicContact CB-CB 4.47Å; D45-Q69 HydrophobicContact CB-CG 4.36Å; F46-Q69 HydrophobicContact CE1-CB 3.84Å; F46-Q69 HydrophobicContact CZ-CB 4.42Å; R65-Q69 WeakPolarHBondContact O-CG 3.43Å; R65-Q69 PolarHBondContact O-N 3.32Å; R65-Q69 VanDerWaalsContact O-N 3.07Å; K66-Q69 PolarHBondContact O-N 3.27Å; Q69-I71 PolarHBondContact O-N 2.65Å; Q69-L72 PolarHBondContact O-N 2.85Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.28Å; Q69-K73 PolarHBondContact O-N 3.22Å
70M95.1Very high94.2Very high0 Ų050.6 Ų50.60%027%0.269CS..Hα-helixtrans-52.1-44.2176.3177.2-177.470.200111.2F46 K66 S67 A68 K73 L74 Y88 K89 V92 L104F46-M70 HydrophobicContact CE1-CB 4.18Å; F46-M70 HydrophobicContact CZ-CB 4.44Å; K66-M70 VanDerWaalsContact O-CB 3.31Å; K66-M70 WeakPolarHBondContact O-CB 3.45Å; K66-M70 PolarHBondContact O-N 2.98Å; S67-M70 WeakPolarHBondContact O-CB 3.48Å; A68-M70 VanDerWaalsContact C-N 3.34Å; A68-M70 PolarHBondContact O-N 3.48Å; M70-K73 PolarHBondContact O-N 3.23Å; M70-L74 HydrophobicContact CG-CD1 3.9Å; M70-L74 HydrophobicContact CG-CG 4.29Å; M70-L74 WeakPolarHBondContact O-CB 3.4Å; M70-L74 VanDerWaalsContact O-CG 3.23Å; M70-L74 WeakPolarHBondContact O-CG 3.46Å; M70-L74 PolarHBondContact O-N 2.93Å; M70-Y88 HydrophobicContact CB-CE1 4.48Å; M70-Y88 HydrophobicContact CG-CD1 3.73Å; M70-Y88 HydrophobicContact CG-CE1 3.83Å; M70-Y88 HydrophobicContact SD-CD1 4.42Å; M70-K89 HydrophobicContact CE-CG 4.4Å; M70-K89 VanDerWaalsContact SD-CA 3.6Å; M70-K89 HydrophobicContact SD-CB 3.74Å; M70-K89 HydrophobicContact SD-CG 3.97Å; M70-V92 HydrophobicContact CB-CG1 4.3Å; M70-V92 HydrophobicContact CB-CG2 4.17Å; M70-V92 HydrophobicContact CG-CG2 4.01Å; M70-V92 HydrophobicContact SD-CB 4.27Å; M70-V92 HydrophobicContact SD-CG2 4.2Å; M70-L104 HydrophobicContact CE-CD1 4.39Å
71I91.1Very high93.7Very high18 Ų1851.6 Ų51.69%0.09228%0.278CS..Hα-helixtrans-73.2-39.4-174.4-61.4-85.6000111.1S67 A68 Q69 K73 L74 R75 L100 L130S67-I71 VanDerWaalsContact O-CG1 3.26Å; S67-I71 WeakPolarHBondContact O-CG1 3.37Å; S67-I71 PolarHBondContact O-N 2.97Å; A68-I71 PolarHBondContact O-N 3.39Å; Q69-I71 PolarHBondContact O-N 2.65Å; I71-K73 VanDerWaalsContact C-N 3.33Å; I71-K73 PolarHBondContact O-N 3.42Å; I71-L74 HydrophobicContact CD1-CD1 4.41Å; I71-L74 PolarHBondContact O-N 3.09Å; I71-R75 WeakPolarHBondContact O-CG 3.29Å; I71-R75 PolarHBondContact O-N 3.33Å; I71-L100 HydrophobicContact CD1-CD1 4.48Å; I71-L100 HydrophobicContact CG1-CD1 4.17Å; I71-L130 HydrophobicContact CB-CD1 3.79Å; I71-L130 HydrophobicContact CD1-CD1 3.83Å; I71-L130 HydrophobicContact CD1-CG 4.46Å; I71-L130 HydrophobicContact CG1-CD1 3.47Å; I71-L130 VanDerWaalsContact CG1-CD1 3.47Å; I71-L130 HydrophobicContact CG2-CD1 3.6Å; I71-L130 HydrophobicContact CG2-CG 4.03Å
72L92.8Very high93Very high96 Ų9651.2 Ų51.250%0.50328%0.281SS..Hα-helixtrans-58.7-46.7173.2-64.3175.8000110.9A68 Q69 R75 E76A68-L72 PolarHBondContact O-N 2.95Å; Q69-L72 PolarHBondContact O-N 2.85Å; L72-R75 PolarHBondContact O-N 3.09Å; L72-E76 PolarHBondContact O-N 3.04Å
73K94.9Very high92.5Very high27 Ų2754.5 Ų54.512%0.11730%0.297CS..Hα-helixtrans-67.5-41.6179.3-62.6-70.9-179162.40112.9D43 D45 F46 Q69 M70 I71 R75 E76 Y77 Y88D43-K73 IonicContact OD1-NZ 3.93Å; D43-K73 WeakPolarHBondContact OD2-CD 3.39Å; D43-K73 WeakPolarHBondContact OD2-CE 3.41Å; D43-K73 IonicContact OD2-NZ 3.91Å; D43-K73 PolarHBondContact OD2-NZ 3.08Å; D45-K73 WeakPolarHBondContact OD2-CE 3.26Å; D45-K73 IonicContact OD2-NZ 3.32Å; D45-K73 PolarHBondContact OD2-NZ 2.68Å; F46-K73 HydrophobicContact CE2-CG 4.33Å; F46-K73 HydrophobicContact CZ-CB 4.42Å; F46-K73 HydrophobicContact CZ-CG 3.95Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.28Å; Q69-K73 PolarHBondContact O-N 3.22Å; M70-K73 PolarHBondContact O-N 3.23Å; I71-K73 VanDerWaalsContact C-N 3.33Å; I71-K73 PolarHBondContact O-N 3.42Å; K73-R75 PolarHBondContact O-N 3.25Å; K73-E76 PolarHBondContact O-N 2.94Å; K73-Y77 HydrophobicContact CB-CD2 4.08Å; K73-Y77 HydrophobicContact CB-CE2 3.83Å; K73-Y77 HydrophobicContact CD-CE2 4.13Å; K73-Y77 HydrophobicContact CG-CE2 4.44Å; K73-Y77 WeakPolarHBondContact O-CB 3.36Å; K73-Y77 WeakPolarHBondContact O-CD2 3.34Å; K73-Y77 PolarHBondContact O-N 3.28Å; K73-Y88 VanDerWaalsContact CB-OH 3.26Å; K73-Y88 WeakPolarHBondContact CB-OH 3.4Å
74L92.8Very high92.3Very high12 Ų1256.3 Ų56.36%0.06330%0.304CS..Hα-helixtrans-56-40175.2-76.8171.3000111.1M70 I71 G78 I79 I85 Y88M70-L74 HydrophobicContact CG-CD1 3.9Å; M70-L74 HydrophobicContact CG-CG 4.29Å; M70-L74 WeakPolarHBondContact O-CB 3.4Å; M70-L74 VanDerWaalsContact O-CG 3.23Å; M70-L74 WeakPolarHBondContact O-CG 3.46Å; M70-L74 PolarHBondContact O-N 2.93Å; I71-L74 HydrophobicContact CD1-CD1 4.41Å; I71-L74 PolarHBondContact O-N 3.09Å; L74-G78 PolarHBondContact O-N 3.24Å; L74-G78 VanDerWaalsContact O-N 3.1Å; L74-I79 HydrophobicContact CD2-CB 3.67Å; L74-I79 HydrophobicContact CD2-CD1 4.19Å; L74-I79 HydrophobicContact CD2-CG2 3.63Å; L74-I79 PolarHBondContact O-N 3.49Å; L74-I85 HydrophobicContact CD1-CG1 4.45Å; L74-I85 HydrophobicContact CD1-CG2 4.22Å; L74-I85 HydrophobicContact CD2-CG1 4.26Å; L74-Y88 HydrophobicContact CD2-CD1 4Å; L74-Y88 HydrophobicContact CD2-CD2 3.9Å; L74-Y88 HydrophobicContact CD2-CE2 4.44Å; L74-Y88 HydrophobicContact CD2-CG 3.66Å; L74-Y88 HydrophobicContact CG-CD1 4.26Å; L74-Y88 HydrophobicContact CG-CG 4.41Å
75R90.2Very high92Very high112 Ų11255.2 Ų55.242%0.42330%0.296SS..Hα-helixtrans-70.2-46.2175-68.6-177.7-171.215818.8112.8I71 L72 K73 Y77 G78 W128 N129I71-R75 WeakPolarHBondContact O-CG 3.29Å; I71-R75 PolarHBondContact O-N 3.33Å; L72-R75 PolarHBondContact O-N 3.09Å; K73-R75 PolarHBondContact O-N 3.25Å; R75-Y77 VanDerWaalsContact C-N 3.25Å; R75-Y77 PolarHBondContact O-N 2.94Å; R75-G78 PolarHBondContact O-N 3.14Å; R75-G78 VanDerWaalsContact O-N 3.08Å; R75-W128 PolarHBondContact NH2-O 3.08Å; R75-W128 VanDerWaalsContact NH2-O 3.14Å; R75-N129 PolarHBondContact NH1-O 3.2Å; R75-N129 PolarHBondContact NH2-O 2.82Å
76E93.7Very high91.6Very high134 Ų13453.2 Ų53.263%0.62629%0.289SS*.Hα-helixtrans-55.1-43.8177.2-175.7-176.4166.400111.4L72 K73 G78L72-E76 PolarHBondContact O-N 3.04Å; K73-E76 PolarHBondContact O-N 2.94Å; E76-G78 VanDerWaalsContact C-N 3.34Å
77Y93.9Very high91.4Very high86 Ų8654.5 Ų54.534%0.33730%0.295SS..THydrogen-bonded Turntrans-84.9-3.6179.8-58.7-46000114.2L39 K73 R75 I79 Y88L39-Y77 HydrophobicContact CD1-CE1 4.1Å; L39-Y77 HydrophobicContact CD1-CE2 3.87Å; L39-Y77 HydrophobicContact CD2-CD2 3.6Å; L39-Y77 HydrophobicContact CD2-CE2 3.67Å; L39-Y77 HydrophobicContact CD2-CG 4.07Å; L39-Y77 HydrophobicContact CG-CD2 4.27Å; L39-Y77 HydrophobicContact CG-CE2 3.81Å; K73-Y77 HydrophobicContact CB-CD2 4.08Å; K73-Y77 HydrophobicContact CB-CE2 3.83Å; K73-Y77 HydrophobicContact CD-CE2 4.13Å; K73-Y77 HydrophobicContact CG-CE2 4.44Å; K73-Y77 WeakPolarHBondContact O-CB 3.36Å; K73-Y77 WeakPolarHBondContact O-CD2 3.34Å; K73-Y77 PolarHBondContact O-N 3.28Å; R75-Y77 VanDerWaalsContact C-N 3.25Å; R75-Y77 PolarHBondContact O-N 2.94Å; Y77-I79 HydrophobicContact CD2-CD1 4.48Å; Y77-I79 PolarHBondContact O-N 3.29Å; Y77-Y88 HydrophobicContact CD2-CE2 4.24Å; Y77-Y88 HydrophobicContact CE2-CE2 4.49Å
78G92.4Very high91.4Very high60 Ų6054.4 Ų54.462%0.61929%0.294SS*.THydrogen-bonded Turntrans62.827.7-177.600000114.1L74 R75 E76 A80L74-G78 PolarHBondContact O-N 3.24Å; L74-G78 VanDerWaalsContact O-N 3.1Å; R75-G78 PolarHBondContact O-N 3.14Å; R75-G78 VanDerWaalsContact O-N 3.08Å; E76-G78 VanDerWaalsContact C-N 3.34Å; G78-A80 PolarHBondContact O-N 2.93Å
79I92.3Very high91.5Very high10 Ų1053.9 Ų53.95%0.05128%0.283CS..  trans-80.599.4178.9-60.8173000108.4L39 L74 Y77 E84 I85 Y88L39-I79 HydrophobicContact CD2-CD1 4.32Å; L74-I79 HydrophobicContact CD2-CB 3.67Å; L74-I79 HydrophobicContact CD2-CD1 4.19Å; L74-I79 HydrophobicContact CD2-CG2 3.63Å; L74-I79 PolarHBondContact O-N 3.49Å; Y77-I79 HydrophobicContact CD2-CD1 4.48Å; Y77-I79 PolarHBondContact O-N 3.29Å; I79-E84 HydrophobicContact CG2-CB 3.65Å; I79-I85 HydrophobicContact CG2-CG1 4.15Å; I79-Y88 HydrophobicContact CD1-CD2 3.68Å; I79-Y88 HydrophobicContact CD1-CE2 3.96Å
80A87.4Confident91.3Very high63 Ų6352 Ų5252%0.52128%0.276SS..  trans-114.1-13.6-179.100000113.7G78G78-A80 PolarHBondContact O-N 2.93Å
81D87.9Confident91.3Very high74 Ų7452.2 Ų52.240%0.39628%0.278SS..  trans-67129.4178.5176.4-90.8000110.9E83 E84 I85D81-E83 VanDerWaalsContact C-N 3.34Å; D81-E83 PolarHBondContact O-N 2.75Å; D81-E83 WeakPolarHBondContact OD1-CA 3.47Å; D81-E83 VanDerWaalsContact OD1-CB 3.24Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.38Å; D81-E84 HydrophobicContact CB-CB 4.08Å; D81-E84 HydrophobicContact CB-CG 3.93Å; D81-E84 PolarHBondContact O-N 3.31Å; D81-E84 PolarHBondContact OD1-N 3.04Å; D81-I85 VanDerWaalsContact O-CG1 3.3Å; D81-I85 WeakPolarHBondContact O-CG1 3.46Å; D81-I85 PolarHBondContact O-N 2.88Å
82P83.1Confident91.5Very high100 Ų10051.3 Ų51.365%0.64927%0.273SS*.Hα-helixtrans-61.2-34.7-177.1-26.135.2000115Y86P82-Y86 WeakPolarHBondContact O-CB 3.12Å; P82-Y86 PolarHBondContact O-N 2.86Å
83E85.1Confident91.5Very high87 Ų8747.2 Ų47.241%0.40725%0.251SS..Hα-helixtrans-68.9-43.8177.6-172.1177.4-176.700109.4K29 D81 Y86 H87K29-E83 IonicContact NZ-OE1 3.91Å; K29-E83 PolarHBondContact NZ-OE1 2.98Å; K29-E83 IonicContact NZ-OE2 3.4Å; K29-E83 PolarHBondContact NZ-OE2 3.47Å; D81-E83 VanDerWaalsContact C-N 3.34Å; D81-E83 PolarHBondContact O-N 2.75Å; D81-E83 WeakPolarHBondContact OD1-CA 3.47Å; D81-E83 VanDerWaalsContact OD1-CB 3.24Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.38Å; E83-Y86 PolarHBondContact O-N 3.09Å; E83-H87 PolarHBondContact O-CD2 3.47Å; E83-H87 PolarHBondContact O-N 3.2Å
84E92.5Very high91.3Very high43 Ų4346.4 Ų46.420%0.20125%0.249CC..Hα-helixtrans-64.4-43174.8-63.9-167.1172.800113.1R32 I36 I79 D81 Y86 H87 Y88R32-E84 WeakPolarHBondContact CG-OE1 3.46Å; R32-E84 IonicContact CZ-OE1 2.7Å; R32-E84 IonicContact CZ-OE2 2.95Å; R32-E84 VanDerWaalsContact NE-CD 3.26Å; R32-E84 IonicContact NE-OE1 3.71Å; R32-E84 PolarHBondContact NE-OE1 3.38Å; R32-E84 IonicContact NE-OE2 3.32Å; R32-E84 PolarHBondContact NE-OE2 3.33Å; R32-E84 IonicContact NH2-OE1 3.47Å; R32-E84 IonicContact NH2-OE2 2.76Å; R32-E84 PolarHBondContact NH2-OE2 3.19Å; I36-E84 HydrophobicContact CD1-CB 3.79Å; I36-E84 HydrophobicContact CD1-CG 3.89Å; I79-E84 HydrophobicContact CG2-CB 3.65Å; D81-E84 HydrophobicContact CB-CB 4.08Å; D81-E84 HydrophobicContact CB-CG 3.93Å; D81-E84 PolarHBondContact O-N 3.31Å; D81-E84 PolarHBondContact OD1-N 3.04Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 3.3Å; E84-H87 PolarHBondContact O-N 3.03Å; E84-Y88 WeakPolarHBondContact O-CB 3.36Å; E84-Y88 PolarHBondContact O-N 3.27Å
85I91.1Very high90.6Very high28 Ų2847.8 Ų47.814%0.14427%0.266CS..Hα-helixtrans-59.3-44.4175.1-70.3167.6000110L74 I79 D81 Y88 K89 W128L74-I85 HydrophobicContact CD1-CG1 4.45Å; L74-I85 HydrophobicContact CD1-CG2 4.22Å; L74-I85 HydrophobicContact CD2-CG1 4.26Å; I79-I85 HydrophobicContact CG2-CG1 4.15Å; D81-I85 VanDerWaalsContact O-CG1 3.3Å; D81-I85 WeakPolarHBondContact O-CG1 3.46Å; D81-I85 PolarHBondContact O-N 2.88Å; I85-Y88 PolarHBondContact O-N 2.89Å; I85-K89 VanDerWaalsContact O-CB 3.26Å; I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.21Å; I85-W128 HydrophobicContact CD1-CH2 4.15Å
86Y88.6Confident90.6Very high51 Ų5144.1 Ų44.120%0.225%0.252CS..Hα-helixtrans-60.9-45.3176.2174.2-89.2000111.3P82 E83 E84 K89 S90 M284 E288 R291P82-Y86 WeakPolarHBondContact O-CB 3.12Å; P82-Y86 PolarHBondContact O-N 2.86Å; E83-Y86 PolarHBondContact O-N 3.09Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 3.3Å; Y86-K89 PolarHBondContact O-N 3.12Å; Y86-S90 WeakPolarHBondContact O-CB 3.43Å; Y86-S90 PolarHBondContact O-N 3.1Å; Y86-M284 HydrophobicContact CD2-CE 4.2Å; Y86-M284 HydrophobicContact CE2-CE 4.13Å; Y86-E288 WeakPolarHBondContact CE2-OE1 3.09Å; Y86-E288 PolarHBondContact OH-OE1 2.76Å; Y86-R291 VanDerWaalsContact OH-CZ 3.26Å; Y86-R291 PolarHBondContact OH-NE 3.03Å; Y86-R291 PolarHBondContact OH-NH1 3.26Å
87H91.9Very high90.4Very high33 Ų3338.1 Ų38.115%0.15323%0.225CC..Hα-helixtrans-61.2-47.3176.1-74.5-53.5000112.3I36 E83 E84 K89 S90 C91I36-H87 HydrophobicContact CD1-CB 4.33Å; I36-H87 HydrophobicContact CG2-CB 4.38Å; E83-H87 PolarHBondContact O-CD2 3.47Å; E83-H87 PolarHBondContact O-N 3.2Å; E84-H87 PolarHBondContact O-N 3.03Å; H87-K89 PolarHBondContact O-N 3.32Å; H87-S90 PolarHBondContact O-N 2.8Å; H87-S90 PolarHBondContact O-OG 3.35Å; H87-C91 PolarHBondContact O-N 3.33Å; H87-C91 PolarHBondContact O-SG 3.34Å
88Y95.1Very high90.4Very high0 Ų034 Ų340%021%0.209CC..Hα-helixtrans-58.2-51.2178.4-163.9-72.8000110.7I36 L39 V40 F46 M70 K73 L74 Y77 I79 E84 I85 S90 C91 V92I36-Y88 VanDerWaalsContact CG2-CA 3.5Å; I36-Y88 HydrophobicContact CG2-CD2 3.86Å; I36-Y88 HydrophobicContact CG2-CG 4.18Å; L39-Y88 HydrophobicContact CD2-CE2 3.94Å; L39-Y88 HydrophobicContact CG-CE2 4.4Å; V40-Y88 HydrophobicContact CG2-CD1 3.77Å; V40-Y88 HydrophobicContact CG2-CD2 3.75Å; V40-Y88 HydrophobicContact CG2-CE1 3.6Å; V40-Y88 HydrophobicContact CG2-CE2 3.58Å; V40-Y88 HydrophobicContact CG2-CG 3.84Å; V40-Y88 VanDerWaalsContact CG2-CZ 3.49Å; F46-Y88 HydrophobicContact CE2-CE1 4.12Å; F46-Y88 WeakPolarHBondContact CE2-OH 3.23Å; F46-Y88 AromaticContact CZ-CE1 3.99Å; F46-Y88 HydrophobicContact CZ-CE1 3.99Å; M70-Y88 HydrophobicContact CB-CE1 4.48Å; M70-Y88 HydrophobicContact CG-CD1 3.73Å; M70-Y88 HydrophobicContact CG-CE1 3.83Å; M70-Y88 HydrophobicContact SD-CD1 4.42Å; K73-Y88 VanDerWaalsContact CB-OH 3.26Å; K73-Y88 WeakPolarHBondContact CB-OH 3.4Å; L74-Y88 HydrophobicContact CD2-CD1 4Å; L74-Y88 HydrophobicContact CD2-CD2 3.9Å; L74-Y88 HydrophobicContact CD2-CE2 4.44Å; L74-Y88 HydrophobicContact CD2-CG 3.66Å; L74-Y88 HydrophobicContact CG-CD1 4.26Å; L74-Y88 HydrophobicContact CG-CG 4.41Å; Y77-Y88 HydrophobicContact CD2-CE2 4.24Å; Y77-Y88 HydrophobicContact CE2-CE2 4.49Å; I79-Y88 HydrophobicContact CD1-CD2 3.68Å; I79-Y88 HydrophobicContact CD1-CE2 3.96Å; E84-Y88 WeakPolarHBondContact O-CB 3.36Å; E84-Y88 PolarHBondContact O-N 3.27Å; I85-Y88 PolarHBondContact O-N 2.89Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.07Å; Y88-C91 WeakPolarHBondContact O-CB 3.45Å; Y88-C91 PolarHBondContact O-N 3.44Å; Y88-V92 HydrophobicContact CD1-CG2 3.7Å; Y88-V92 HydrophobicContact CE1-CG2 3.59Å; Y88-V92 PolarHBondContact O-N 3.5Å
89K93.8Very high90.5Very high39 Ų3931.3 Ų31.317%0.1718%0.181CC..Hα-helixtrans-56.1-43.5175.5-179.7-168.5170.7-1640112.2M70 I85 Y86 H87 C91 V92 H93 D101 L104M70-K89 HydrophobicContact CE-CG 4.4Å; M70-K89 VanDerWaalsContact SD-CA 3.6Å; M70-K89 HydrophobicContact SD-CB 3.74Å; M70-K89 HydrophobicContact SD-CG 3.97Å; I85-K89 VanDerWaalsContact O-CB 3.26Å; I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.21Å; Y86-K89 PolarHBondContact O-N 3.12Å; H87-K89 PolarHBondContact O-N 3.32Å; K89-C91 PolarHBondContact O-N 3.06Å; K89-V92 PolarHBondContact O-N 2.92Å; K89-H93 PolarHBondContact O-N 2.79Å; K89-D101 WeakPolarHBondContact CE-OD1 3.3Å; K89-D101 IonicContact NZ-OD1 3.67Å; K89-D101 PolarHBondContact NZ-OD1 3.25Å; K89-L104 HydrophobicContact CD-CD1 4.3Å
90S91.8Very high90.6Very high19 Ų1931.3 Ų31.313%0.13318%0.18CC..Hα-helixtrans-64.5-18.5178.983.20000113.7Y86 H87 Y88 P94 K616Y86-S90 WeakPolarHBondContact O-CB 3.43Å; Y86-S90 PolarHBondContact O-N 3.1Å; H87-S90 PolarHBondContact O-N 2.8Å; H87-S90 PolarHBondContact O-OG 3.35Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.07Å; S90-P94 WeakPolarHBondContact O-CA 3.31Å; S90-K616 WeakPolarHBondContact OG-CE 3.22Å; S90-K616 PolarHBondContact OG-NZ 2.8Å
91C94.5Very high90.8Very high4 Ų430 Ų303%0.02717%0.165CC..Hα-helixtrans-90.8-37174.5-57.30000111.5E37 V40 F41 H87 Y88 K89E37-C91 WeakPolarHBondContact CG-SG 3.5Å; V40-C91 HydrophobicContact CB-CB 3.78Å; V40-C91 HydrophobicContact CG1-CB 3.67Å; V40-C91 HydrophobicContact CG2-CB 4.01Å; F41-C91 HydrophobicContact CE1-CB 3.84Å; F41-C91 HydrophobicContact CZ-CB 4.07Å; H87-C91 PolarHBondContact O-N 3.33Å; H87-C91 PolarHBondContact O-SG 3.34Å; Y88-C91 WeakPolarHBondContact O-CB 3.45Å; Y88-C91 PolarHBondContact O-N 3.44Å; K89-C91 PolarHBondContact O-N 3.06Å
92V95.6Very high91.2Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-66.4-43.8175.6176.20000110.5V40 F46 K66 M70 Y88 K89 P94V40-V92 HydrophobicContact CG1-CG2 3.74Å; V40-V92 HydrophobicContact CG2-CG2 4.29Å; F46-V92 HydrophobicContact CD1-CB 4.45Å; F46-V92 HydrophobicContact CD1-CG1 3.74Å; F46-V92 HydrophobicContact CD1-CG2 4Å; F46-V92 HydrophobicContact CD2-CG2 4.37Å; F46-V92 HydrophobicContact CE1-CG1 3.95Å; F46-V92 HydrophobicContact CE1-CG2 3.85Å; F46-V92 HydrophobicContact CE2-CG2 4.27Å; F46-V92 HydrophobicContact CG-CG1 4.49Å; F46-V92 HydrophobicContact CG-CG2 4.26Å; F46-V92 HydrophobicContact CZ-CG2 4.01Å; K66-V92 HydrophobicContact CB-CG1 3.9Å; K66-V92 WeakPolarHBondContact CE-O 3.44Å; K66-V92 PolarHBondContact NZ-O 3.26Å; M70-V92 HydrophobicContact CB-CG1 4.3Å; M70-V92 HydrophobicContact CB-CG2 4.17Å; M70-V92 HydrophobicContact CG-CG2 4.01Å; M70-V92 HydrophobicContact SD-CB 4.27Å; M70-V92 HydrophobicContact SD-CG2 4.2Å; Y88-V92 HydrophobicContact CD1-CG2 3.7Å; Y88-V92 HydrophobicContact CE1-CG2 3.59Å; Y88-V92 PolarHBondContact O-N 3.5Å; K89-V92 PolarHBondContact O-N 2.92Å; V92-P94 VanDerWaalsContact C-CD 3.44Å; V92-P94 WeakPolarHBondContact O-CD 3.49Å
93H93.9Very high91.7Very high10 Ų1023.8 Ų23.85%0.04613%0.126CC..SBendtrans-115.274179.1-61.4-78000110.2A63 S67 K89 G95 R96A63-H93 PolarHBondContact O-CE1 3.44Å; S67-H93 PolarHBondContact OG-CE1 3.43Å; S67-H93 PolarHBondContact OG-NE2 2.8Å; K89-H93 PolarHBondContact O-N 2.79Å; H93-G95 PolarHBondContact O-N 3.25Å; H93-R96 PolarHBondContact O-N 3.21Å
94P89.8Confident92Very high9 Ų921.5 Ų21.56%0.05812%0.116CC..THydrogen-bonded Turntrans-64.8101.3-170.525.7-34.9000112.7S90 V92 R96 K615 K616S90-P94 WeakPolarHBondContact O-CA 3.31Å; V92-P94 VanDerWaalsContact C-CD 3.44Å; V92-P94 WeakPolarHBondContact O-CD 3.49Å; P94-R96 PolarHBondContact O-N 2.9Å; P94-K615 VanDerWaalsContact CB-O 3.3Å; P94-K615 WeakPolarHBondContact CB-O 3.49Å; P94-K616 HydrophobicContact CB-CG 4.41Å
95G78.9Confident91.8Very high42 Ų4221.2 Ų21.243%0.43312%0.121SC..THydrogen-bonded Turntrans66.620177.800000114.6H93H93-G95 PolarHBondContact O-N 3.25Å
96R88.8Confident91.8Very high34 Ų3420.3 Ų20.313%0.12812%0.116CC..SBendtrans-127.7148.6178.6-66.9-179.5-58.8-120.5-1.7109.7E48 P51 H93 P94E48-R96 IonicContact OE1-CZ 2.71Å; E48-R96 IonicContact OE1-NH1 2.9Å; E48-R96 PolarHBondContact OE1-NH1 2.85Å; E48-R96 IonicContact OE1-NH2 3.82Å; E48-R96 PolarHBondContact OE1-NH2 3.36Å; E48-R96 IonicContact OE2-CZ 2.72Å; E48-R96 IonicContact OE2-NH2 2.71Å; E48-R96 PolarHBondContact OE2-NH2 3.18Å; P51-R96 VanDerWaalsContact CG-NH1 3.31Å; H93-R96 PolarHBondContact O-N 3.21Å; P94-R96 PolarHBondContact O-N 2.9Å
97P90.8Very high92.2Very high9 Ų917.9 Ų17.96%0.05811%0.107CC..  trans-72.9161.6177.933.8-37.7000111.4D101 F232 V235 E413P97-D101 WeakPolarHBondContact CA-OD2 3.41Å; P97-D101 WeakPolarHBondContact CB-OD2 3.45Å; P97-F232 HydrophobicContact CB-CD1 3.7Å; P97-F232 HydrophobicContact CB-CE1 3.59Å; P97-F232 HydrophobicContact CB-CG 4.43Å; P97-F232 HydrophobicContact CB-CZ 4.25Å; P97-F232 HydrophobicContact CG-CB 4.28Å; P97-F232 HydrophobicContact CG-CD1 3.54Å; P97-F232 HydrophobicContact CG-CD2 4.33Å; P97-F232 HydrophobicContact CG-CE1 3.86Å; P97-F232 HydrophobicContact CG-CG 3.79Å; P97-F232 HydrophobicContact CG-CZ 4.39Å; P97-V235 HydrophobicContact CB-CG2 3.56Å; P97-V235 HydrophobicContact CG-CG2 3.8Å; P97-E413 WeakPolarHBondContact CD-OE2 3.27Å; P97-E413 VanDerWaalsContact CG-OE2 3.31Å; P97-E413 WeakPolarHBondContact CG-OE2 3.29Å
98S92.8Very high92.2Very high0 Ų016.7 Ų16.70%010%0.102CC..  trans-124.4147.9179.3156.60000111.6S67 L100 D101S67-S98 PolarHBondContact OG-OG 3.27Å; S98-L100 PolarHBondContact O-N 3.21Å; S98-L100 VanDerWaalsContact O-N 3.08Å; S98-L100 PolarHBondContact OG-N 2.81Å; S98-L100 VanDerWaalsContact OG-N 3.15Å; S98-D101 WeakPolarHBondContact CB-OD1 3.34Å; S98-D101 VanDerWaalsContact N-CG 3.27Å; S98-D101 PolarHBondContact N-OD1 3.13Å; S98-D101 PolarHBondContact N-OD2 2.95Å; S98-D101 VanDerWaalsContact O-CB 3.25Å; S98-D101 WeakPolarHBondContact O-CB 3.19Å; S98-D101 PolarHBondContact O-N 3.1Å
99P93.8Very high91.9Very high3 Ų317.6 Ų17.62%0.01911%0.108CC..THydrogen-bonded Turntrans-54.5-24.3172.9-25.633.1000115Y60 A63 V64 T183 E234Y60-P99 HydrophobicContact CD2-CG 4.07Å; Y60-P99 HydrophobicContact CE2-CB 4.2Å; Y60-P99 HydrophobicContact CE2-CG 3.87Å; A63-P99 HydrophobicContact CB-CG 4.17Å; V64-P99 HydrophobicContact CG2-CB 4.27Å; V64-P99 HydrophobicContact CG2-CG 3.81Å; P99-T183 HydrophobicContact CB-CG2 3.9Å; P99-T183 WeakPolarHBondContact CB-OG1 3.18Å; P99-E234 WeakPolarHBondContact CG-O 3.33Å
100L94.4Very high91.7Very high9 Ų915.8 Ų15.85%0.04710%0.099CC..THydrogen-bonded Turntrans-91.55.6178.7-61.5-174.3000113.6I71 S98 L102 H103 L104 L130 I133 T183I71-L100 HydrophobicContact CD1-CD1 4.48Å; I71-L100 HydrophobicContact CG1-CD1 4.17Å; S98-L100 PolarHBondContact O-N 3.21Å; S98-L100 VanDerWaalsContact O-N 3.08Å; S98-L100 PolarHBondContact OG-N 2.81Å; S98-L100 VanDerWaalsContact OG-N 3.15Å; L100-L102 PolarHBondContact O-N 3.01Å; L100-H103 WeakPolarHBondContact O-CB 3.5Å; L100-H103 PolarHBondContact O-N 3.3Å; L100-H103 VanDerWaalsContact O-N 3.16Å; L100-L104 PolarHBondContact O-N 2.85Å; L100-L130 HydrophobicContact CD1-CD1 3.98Å; L100-I133 HydrophobicContact CD2-CG2 3.72Å; L100-T183 HydrophobicContact CD2-CG2 4.06Å
101D93Very high91.8Very high35 Ų3514.9 Ų14.919%0.1879%0.093CC..Hα-helixtrans-56.8-51.1-176.1-76.2-9.1000112.4K89 P97 S98 H103 L104 A105K89-D101 WeakPolarHBondContact CE-OD1 3.3Å; K89-D101 IonicContact NZ-OD1 3.67Å; K89-D101 PolarHBondContact NZ-OD1 3.25Å; P97-D101 WeakPolarHBondContact CA-OD2 3.41Å; P97-D101 WeakPolarHBondContact CB-OD2 3.45Å; S98-D101 WeakPolarHBondContact CB-OD1 3.34Å; S98-D101 VanDerWaalsContact N-CG 3.27Å; S98-D101 PolarHBondContact N-OD1 3.13Å; S98-D101 PolarHBondContact N-OD2 2.95Å; S98-D101 VanDerWaalsContact O-CB 3.25Å; S98-D101 WeakPolarHBondContact O-CB 3.19Å; S98-D101 PolarHBondContact O-N 3.1Å; D101-H103 VanDerWaalsContact C-N 3.31Å; D101-H103 PolarHBondContact O-N 2.83Å; D101-L104 PolarHBondContact O-N 3.09Å; D101-A105 WeakPolarHBondContact O-CB 3.05Å; D101-A105 PolarHBondContact O-N 2.82Å
102L95.3Very high91.5Very high42 Ų4218.9 Ų18.922%0.2211%0.114CC..Hα-helixtrans-72.9-24.8179.4-68.5-163.1000113L100 M106 F107 T135 P177L100-L102 PolarHBondContact O-N 3.01Å; L102-M106 HydrophobicContact CD2-CB 4.36Å; L102-M106 HydrophobicContact CD2-CG 3.83Å; L102-M106 CarbonylContact O-C 3.58Å; L102-M106 WeakPolarHBondContact O-CA 3.14Å; L102-M106 WeakPolarHBondContact O-CB 3.27Å; L102-M106 PolarHBondContact O-N 3.46Å; L102-F107 PolarHBondContact O-N 3.2Å; L102-T135 WeakPolarHBondContact CD1-OG1 3.3Å; L102-P177 HydrophobicContact CD1-CB 4.27Å
103H95.3Very high90.9Very high2 Ų221.6 Ų21.61%0.00913%0.129CC..Iπ-helixtrans-61.6-51.1172.4178.872.5000110.6L100 D101 F107 L108 A127 L130 I132 G134L100-H103 WeakPolarHBondContact O-CB 3.5Å; L100-H103 PolarHBondContact O-N 3.3Å; L100-H103 VanDerWaalsContact O-N 3.16Å; D101-H103 VanDerWaalsContact C-N 3.31Å; D101-H103 PolarHBondContact O-N 2.83Å; H103-F107 AromaticContact ND1-CD1 3.87Å; H103-F107 WeakPolarHBondContact O-CB 3.34Å; H103-F107 PolarHBondContact O-N 2.95Å; H103-L108 WeakPolarHBondContact O-CG 3.37Å; H103-L108 PolarHBondContact O-N 2.86Å; H103-A127 PolarHBondContact CE1-O 2.91Å; H103-A127 VanDerWaalsContact CE1-O 3.26Å; H103-A127 PolarHBondContact NE2-O 3.46Å; H103-A127 VanDerWaalsContact NE2-O 3.15Å; H103-L130 VanDerWaalsContact CD2-CD2 3.49Å; H103-L130 WeakPolarHBondContact CD2-CD2 3.16Å; H103-L130 WeakPolarHBondContact NE2-CD2 3.33Å; H103-I132 PolarHBondContact CE1-O 3.07Å; H103-I132 VanDerWaalsContact CE1-O 3.32Å; H103-G134 WeakPolarHBondContact CA-O 3.11Å; H103-G134 WeakPolarHBondContact CB-O 3.27Å; H103-G134 PolarHBondContact N-O 3.3Å; H103-G134 PolarHBondContact ND1-N 3.22Å
104L89.8Confident90.6Very high40 Ų4022 Ų2221%0.20913%0.13CC..Iπ-helixtrans-77.2-38.9-176.8-62173.9000113.1M70 K89 L100 D101 L108 P109M70-L104 HydrophobicContact CE-CD1 4.39Å; K89-L104 HydrophobicContact CD-CD1 4.3Å; L100-L104 PolarHBondContact O-N 2.85Å; D101-L104 PolarHBondContact O-N 3.09Å; L104-L108 HydrophobicContact CD2-CD1 4.01Å; L104-P109 VanDerWaalsContact O-CD 3.25Å; L104-P109 WeakPolarHBondContact O-CD 3.46Å; L104-P109 WeakPolarHBondContact O-CG 3.38Å
105A88.7Confident90.7Very high36 Ų3621.8 Ų21.830%0.29813%0.13SC..Iπ-helixtrans-92.1-22.2-171.600000114.4D101 P109D101-A105 WeakPolarHBondContact O-CB 3.05Å; D101-A105 PolarHBondContact O-N 2.82Å; A105-P109 WeakPolarHBondContact O-CG 3.34Å
106M92.2Very high91.3Very high10 Ų1021.2 Ų21.25%0.04912%0.119CC..Iπ-helixtrans-127.4-48.4-175.4-68.8-67.7-84.400113.1L102 T110 Y136 T277 V281L102-M106 HydrophobicContact CD2-CB 4.36Å; L102-M106 HydrophobicContact CD2-CG 3.83Å; L102-M106 CarbonylContact O-C 3.58Å; L102-M106 WeakPolarHBondContact O-CA 3.14Å; L102-M106 WeakPolarHBondContact O-CB 3.27Å; L102-M106 PolarHBondContact O-N 3.46Å; M106-T110 WeakPolarHBondContact O-CB 3.18Å; M106-T110 PolarHBondContact O-N 2.93Å; M106-T110 PolarHBondContact O-OG1 3.34Å; M106-Y136 HydrophobicContact CB-CG 4.26Å; M106-Y136 HydrophobicContact CE-CD1 3.53Å; M106-Y136 HydrophobicContact CE-CE1 3.77Å; M106-Y136 HydrophobicContact CE-CG 3.98Å; M106-T277 HydrophobicContact CE-CG2 4.31Å; M106-T277 HydrophobicContact SD-CG2 3.6Å; M106-V281 HydrophobicContact SD-CG2 3.48Å; M106-V281 WeakPolarHBondContact SD-CG2 3.48Å
107F95.2Very high91.5Very high0 Ų024.6 Ų24.60%015%0.145CC..Iπ-helixtrans-66.4-57.6-175.3-171.2-96.8000111.7L102 H103 T110 L111 A127 I132 T135 H186 I188L102-F107 PolarHBondContact O-N 3.2Å; H103-F107 AromaticContact ND1-CD1 3.87Å; H103-F107 WeakPolarHBondContact O-CB 3.34Å; H103-F107 PolarHBondContact O-N 2.95Å; F107-T110 PolarHBondContact O-N 3.02Å; F107-L111 HydrophobicContact CD1-CD1 3.99Å; F107-L111 HydrophobicContact CE1-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD1 4.39Å; F107-L111 WeakPolarHBondContact O-CG 3.22Å; F107-L111 PolarHBondContact O-N 2.63Å; F107-A127 HydrophobicContact CD1-CB 4.22Å; F107-A127 HydrophobicContact CE1-CB 3.72Å; F107-I132 HydrophobicContact CE1-CG2 3.92Å; F107-I132 HydrophobicContact CZ-CG2 3.91Å; F107-T135 WeakPolarHBondContact CD2-O 3.44Å; F107-H186 HydrophobicContact CE2-CB 4.3Å; F107-H186 HydrophobicContact CZ-CB 4.13Å; F107-I188 HydrophobicContact CD2-CB 4.41Å; F107-I188 HydrophobicContact CD2-CD1 3.63Å; F107-I188 HydrophobicContact CD2-CG1 3.66Å; F107-I188 HydrophobicContact CE2-CD1 3.97Å; F107-I188 HydrophobicContact CE2-CG1 3.65Å; F107-I188 HydrophobicContact CG-CD1 4.25Å
108L92.3Very high91.5Very high8 Ų827.7 Ų27.74%0.04217%0.171CC..Hα-helixtrans-61.3-46.6177.9-65.5174.4000112.7H103 L104 T110 L111 L112 F124 A127 W128H103-L108 WeakPolarHBondContact O-CG 3.37Å; H103-L108 PolarHBondContact O-N 2.86Å; L104-L108 HydrophobicContact CD2-CD1 4.01Å; L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 PolarHBondContact O-N 3.46Å; L108-L111 WeakPolarHBondContact O-CB 3.04Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-L112 PolarHBondContact O-N 2.89Å; L108-F124 HydrophobicContact CB-CE2 4.36Å; L108-F124 HydrophobicContact CD2-CD2 4.2Å; L108-F124 HydrophobicContact CD2-CE2 4Å; L108-A127 HydrophobicContact CD2-CB 3.62Å; L108-W128 HydrophobicContact CD1-CE3 3.96Å; L108-W128 HydrophobicContact CD1-CZ3 4.27Å
109P88.9Confident91.6Very high19 Ų1928 Ų2812%0.12317%0.173CC..Hα-helixtrans-63.1-33176.5-27.939.8000113.3L104 A105 L112 N113 T277L104-P109 VanDerWaalsContact O-CD 3.25Å; L104-P109 WeakPolarHBondContact O-CD 3.46Å; L104-P109 WeakPolarHBondContact O-CG 3.38Å; A105-P109 WeakPolarHBondContact O-CG 3.34Å; P109-L112 PolarHBondContact O-N 3.07Å; P109-N113 VanDerWaalsContact O-CB 3.25Å; P109-N113 WeakPolarHBondContact O-CB 3.1Å; P109-N113 PolarHBondContact O-N 2.91Å; P109-N113 PolarHBondContact O-ND2 3.18Å; P109-T277 HydrophobicContact CB-CG2 4.33Å
110T90.8Very high91.5Very high0 Ų029.8 Ų29.80%018%0.182CC..Hα-helixtrans-69.6-38.4176-61.20000111.4M106 F107 L108 N113 Q114 I188 M253M106-T110 WeakPolarHBondContact O-CB 3.18Å; M106-T110 PolarHBondContact O-N 2.93Å; M106-T110 PolarHBondContact O-OG1 3.34Å; F107-T110 PolarHBondContact O-N 3.02Å; L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 PolarHBondContact O-N 3.46Å; T110-N113 PolarHBondContact O-N 3.17Å; T110-Q114 HydrophobicContact CG2-CB 4.41Å; T110-Q114 HydrophobicContact CG2-CG 4.28Å; T110-Q114 WeakPolarHBondContact O-CA 3.41Å; T110-Q114 VanDerWaalsContact O-CB 3.3Å; T110-Q114 WeakPolarHBondContact O-CB 3.31Å; T110-Q114 PolarHBondContact O-N 3.05Å; T110-I188 HydrophobicContact CG2-CD1 3.73Å; T110-I188 HydrophobicContact CG2-CG2 4.46Å; T110-M253 HydrophobicContact CG2-CE 4.39Å; T110-M253 WeakPolarHBondContact O-CE 3.44Å
111L92.6Very high91.3Very high0 Ų035.5 Ų35.50%021%0.212CC..Hα-helixtrans-58.4-55.6170.6-67.5175000110.4F107 L108 N113 Q114 A115 M120 F123 F124 A127 I206 M253F107-L111 HydrophobicContact CD1-CD1 3.99Å; F107-L111 HydrophobicContact CE1-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD1 4.39Å; F107-L111 WeakPolarHBondContact O-CG 3.22Å; F107-L111 PolarHBondContact O-N 2.63Å; L108-L111 WeakPolarHBondContact O-CB 3.04Å; L108-L111 PolarHBondContact O-N 3.42Å; L111-N113 VanDerWaalsContact C-N 3.26Å; L111-N113 PolarHBondContact O-N 3.31Å; L111-Q114 PolarHBondContact O-N 3.27Å; L111-A115 WeakPolarHBondContact O-CB 3.26Å; L111-A115 PolarHBondContact O-N 3.49Å; L111-M120 VanDerWaalsContact C-SD 3.51Å; L111-M120 HydrophobicContact CB-SD 4.19Å; L111-F123 HydrophobicContact CD1-CB 4.29Å; L111-F123 HydrophobicContact CD2-CB 4.11Å; L111-F124 HydrophobicContact CB-CD2 4.04Å; L111-F124 HydrophobicContact CD1-CD2 4.35Å; L111-A127 HydrophobicContact CD1-CB 4.15Å; L111-I206 HydrophobicContact CD2-CD1 3.62Å; L111-I206 HydrophobicContact CD2-CG1 4.46Å; L111-M253 HydrophobicContact CD2-CE 4.04Å; L111-M253 HydrophobicContact CD2-SD 4.33Å
112L87.9Confident91.3Very high89 Ų8939.8 Ų39.847%0.46623%0.226SC..Hα-helixtrans-54.1-41.8179.6-72.7163.8000113.1L108 P109 M120 F124L108-L112 PolarHBondContact O-N 2.89Å; P109-L112 PolarHBondContact O-N 3.07Å; L112-M120 HydrophobicContact CD2-CE 3.61Å; L112-M120 HydrophobicContact CG-CE 4.29Å; L112-F124 HydrophobicContact CD1-CE2 3.84Å; L112-F124 HydrophobicContact CD1-CZ 4.17Å; L112-F124 HydrophobicContact CD2-CD2 4.28Å; L112-F124 HydrophobicContact CD2-CE2 3.68Å; L112-F124 HydrophobicContact CD2-CZ 3.8Å; L112-F124 HydrophobicContact CG-CD2 4.15Å; L112-F124 HydrophobicContact CG-CE2 3.49Å; L112-F124 VanDerWaalsContact CG-CE2 3.49Å; L112-F124 HydrophobicContact CG-CZ 4.05Å
113N84.1Confident91.3Very high57 Ų5738.2 Ų38.231%0.30522%0.217SC..Hα-helixtrans-89.7-23.2-171.7-72.8-60.9000114.4P109 T110 L111 K255 Y256P109-N113 VanDerWaalsContact O-CB 3.25Å; P109-N113 WeakPolarHBondContact O-CB 3.1Å; P109-N113 PolarHBondContact O-N 2.91Å; P109-N113 PolarHBondContact O-ND2 3.18Å; T110-N113 PolarHBondContact O-N 3.17Å; L111-N113 VanDerWaalsContact C-N 3.26Å; L111-N113 PolarHBondContact O-N 3.31Å; N113-K255 WeakPolarHBondContact O-CD 3.41Å; N113-K255 PolarHBondContact O-NZ 3.35Å; N113-K255 VanDerWaalsContact O-NZ 3.1Å; N113-Y256 WeakPolarHBondContact O-CE2 3.43Å; N113-Y256 PolarHBondContact O-OH 2.88Å
114Q88Confident91.2Very high17 Ų1739.4 Ų39.48%0.07922%0.222CC..Hα-helixtrans-129.9-9.6-169.7-51.3-172.227.400114.7T110 L111 M253 K255 Y256T110-Q114 HydrophobicContact CG2-CB 4.41Å; T110-Q114 HydrophobicContact CG2-CG 4.28Å; T110-Q114 WeakPolarHBondContact O-CA 3.41Å; T110-Q114 VanDerWaalsContact O-CB 3.3Å; T110-Q114 WeakPolarHBondContact O-CB 3.31Å; T110-Q114 PolarHBondContact O-N 3.05Å; L111-Q114 PolarHBondContact O-N 3.27Å; Q114-M253 VanDerWaalsContact C-CE 3.48Å; Q114-M253 HydrophobicContact CB-CB 4.37Å; Q114-M253 HydrophobicContact CB-CE 3.86Å; Q114-K255 VanDerWaalsContact C-CB 3.5Å; Q114-K255 WeakPolarHBondContact O-CB 3.32Å; Q114-K255 PolarHBondContact O-N 2.96Å; Q114-Y256 HydrophobicContact CG-CE2 4.42Å
115A91.1Very high91.1Very high6 Ų642.2 Ų42.25%0.0524%0.235CC..  trans-77.1146.1175.800000110.8L111 Q119 M120 M253L111-A115 WeakPolarHBondContact O-CB 3.26Å; L111-A115 PolarHBondContact O-N 3.49Å; A115-Q119 HydrophobicContact CB-CB 3.84Å; A115-M120 HydrophobicContact CB-CG 3.77Å; A115-M120 HydrophobicContact CB-SD 3.69Å; A115-M253 HydrophobicContact CB-CE 3.76Å; A115-M253 VanDerWaalsContact N-CE 3.29Å
116S92.1Very high91.3Very high29 Ų2941.9 Ų41.920%0.20323%0.23CC..  trans-71.3162.9161.664.50000110.9A118 Q119 M120S116-A118 VanDerWaalsContact C-N 3.32Å; S116-A118 PolarHBondContact O-N 2.86Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 3.28Å; S116-Q119 VanDerWaalsContact OG-CG 3.27Å; S116-Q119 WeakPolarHBondContact OG-CG 3.22Å; S116-Q119 PolarHBondContact OG-OE1 3.2Å; S116-M120 PolarHBondContact O-N 2.92Å
117P92.1Very high91.3Very high106 Ų10641.4 Ų41.469%0.68823%0.228SC*.Hα-helixtrans-53-45177.9-2936.4000113.8Q119 M120 D121P117-Q119 VanDerWaalsContact C-N 3.27Å; P117-Q119 PolarHBondContact O-N 3.46Å; P117-M120 WeakPolarHBondContact O-CB 3.19Å; P117-M120 PolarHBondContact O-N 2.68Å; P117-M120 VanDerWaalsContact O-N 3.13Å; P117-D121 PolarHBondContact O-N 3.46Å
118A92.2Very high90.9Very high73 Ų7346.2 Ų46.260%0.60325%0.246SC*.Hα-helixtrans-63.3-32.3177.500000113.3S116 R122S116-A118 VanDerWaalsContact C-N 3.32Å; S116-A118 PolarHBondContact O-N 2.86Å; A118-R122 WeakPolarHBondContact O-CB 3.39Å; A118-R122 PolarHBondContact O-N 3.42Å
119Q94.1Very high90.5Very high8 Ų848.5 Ų48.54%0.03726%0.259CS..Hα-helixtrans-75.4-33.9175.4-70.3173.1-57.600112.1A115 S116 P117 R122 F123 E250 M252A115-Q119 HydrophobicContact CB-CB 3.84Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 3.28Å; S116-Q119 VanDerWaalsContact OG-CG 3.27Å; S116-Q119 WeakPolarHBondContact OG-CG 3.22Å; S116-Q119 PolarHBondContact OG-OE1 3.2Å; P117-Q119 VanDerWaalsContact C-N 3.27Å; P117-Q119 PolarHBondContact O-N 3.46Å; Q119-R122 PolarHBondContact O-N 3.01Å; Q119-F123 HydrophobicContact CB-CD2 4.38Å; Q119-F123 WeakPolarHBondContact O-CD2 3.49Å; Q119-F123 PolarHBondContact O-N 3.24Å; Q119-E250 PolarHBondContact NE2-O 3.01Å; Q119-M252 PolarHBondContact NE2-O 3.15Å
120M92.3Very high90.5Very high40 Ų4049.4 Ų49.420%0.19726%0.262CS..Iπ-helixtrans-59.6-49.4171.4-72.8-63.2-65.900110.3L111 L112 A115 S116 P117 R122 F123 F124L111-M120 VanDerWaalsContact C-SD 3.51Å; L111-M120 HydrophobicContact CB-SD 4.19Å; L112-M120 HydrophobicContact CD2-CE 3.61Å; L112-M120 HydrophobicContact CG-CE 4.29Å; A115-M120 HydrophobicContact CB-CG 3.77Å; A115-M120 HydrophobicContact CB-SD 3.69Å; S116-M120 PolarHBondContact O-N 2.92Å; P117-M120 WeakPolarHBondContact O-CB 3.19Å; P117-M120 PolarHBondContact O-N 2.68Å; P117-M120 VanDerWaalsContact O-N 3.13Å; M120-R122 VanDerWaalsContact C-N 3.26Å; M120-R122 PolarHBondContact O-N 3.04Å; M120-F123 PolarHBondContact O-N 2.89Å; M120-F124 HydrophobicContact CB-CB 4.49Å; M120-F124 HydrophobicContact CE-CB 3.59Å; M120-F124 HydrophobicContact CE-CD1 3.86Å; M120-F124 HydrophobicContact CE-CD2 3.57Å; M120-F124 HydrophobicContact CE-CE1 4.45Å; M120-F124 HydrophobicContact CE-CE2 4.21Å; M120-F124 HydrophobicContact CE-CG 3.37Å; M120-F124 WeakPolarHBondContact O-CA 3.5Å; M120-F124 WeakPolarHBondContact O-CB 3.45Å; M120-F124 PolarHBondContact O-N 3.39Å; M120-F124 HydrophobicContact SD-CB 3.99Å; M120-F124 HydrophobicContact SD-CD2 4.27Å; M120-F124 HydrophobicContact SD-CG 4.26Å
121D89.7Confident90.5Very high128 Ų12854.8 Ų54.868%0.68429%0.287SS*.Iπ-helixtrans-59.2-39.2178.8-63.9-23.8000112P117P117-D121 PolarHBondContact O-N 3.46Å
122R93.3Very high90.6Very high126 Ų12655.4 Ų55.448%0.47529%0.29SS..Iπ-helixtrans-76.1-42.7-177.8-175.5173.9178.4-177.7-1114.2A118 Q119 M120 P126A118-R122 WeakPolarHBondContact O-CB 3.39Å; A118-R122 PolarHBondContact O-N 3.42Å; Q119-R122 PolarHBondContact O-N 3.01Å; M120-R122 VanDerWaalsContact C-N 3.26Å; M120-R122 PolarHBondContact O-N 3.04Å; R122-P126 WeakPolarHBondContact O-CG 3.43Å
123F94.8Very high91.1Very high8 Ų853 Ų534%0.03528%0.277CS..Iπ-helixtrans-112.8-30.7-167.9-63.7-69.4000113.8L111 Q119 M120 A127 I132 I206L111-F123 HydrophobicContact CD1-CB 4.29Å; L111-F123 HydrophobicContact CD2-CB 4.11Å; Q119-F123 HydrophobicContact CB-CD2 4.38Å; Q119-F123 WeakPolarHBondContact O-CD2 3.49Å; Q119-F123 PolarHBondContact O-N 3.24Å; M120-F123 PolarHBondContact O-N 2.89Å; F123-A127 WeakPolarHBondContact O-CB 3.37Å; F123-A127 PolarHBondContact O-N 2.85Å; F123-A127 VanDerWaalsContact O-N 3.08Å; F123-I132 HydrophobicContact CD1-CD1 4.17Å; F123-I206 HydrophobicContact CB-CD1 4.16Å; F123-I206 HydrophobicContact CD1-CD1 4.23Å; F123-I206 HydrophobicContact CD1-CG2 4.02Å; F123-I206 HydrophobicContact CD2-CD1 3.33Å; F123-I206 HydrophobicContact CE1-CD1 4.47Å; F123-I206 HydrophobicContact CE1-CG2 3.84Å; F123-I206 HydrophobicContact CE2-CD1 3.63Å; F123-I206 HydrophobicContact CG-CD1 3.66Å; F123-I206 HydrophobicContact CZ-CB 4.42Å; F123-I206 HydrophobicContact CZ-CD1 4.2Å; F123-I206 HydrophobicContact CZ-CG2 4.17Å
124F92.3Very high91.7Very high28 Ų2850.3 Ų50.312%0.12326%0.263CS..Iπ-helixtrans-71.4-48.9-172.5-174.6-97.1000112L108 L111 L112 M120 A127 W128L108-F124 HydrophobicContact CB-CE2 4.36Å; L108-F124 HydrophobicContact CD2-CD2 4.2Å; L108-F124 HydrophobicContact CD2-CE2 4Å; L111-F124 HydrophobicContact CB-CD2 4.04Å; L111-F124 HydrophobicContact CD1-CD2 4.35Å; L112-F124 HydrophobicContact CD1-CE2 3.84Å; L112-F124 HydrophobicContact CD1-CZ 4.17Å; L112-F124 HydrophobicContact CD2-CD2 4.28Å; L112-F124 HydrophobicContact CD2-CE2 3.68Å; L112-F124 HydrophobicContact CD2-CZ 3.8Å; L112-F124 HydrophobicContact CG-CD2 4.15Å; L112-F124 HydrophobicContact CG-CE2 3.49Å; L112-F124 VanDerWaalsContact CG-CE2 3.49Å; L112-F124 HydrophobicContact CG-CZ 4.05Å; M120-F124 HydrophobicContact CB-CB 4.49Å; M120-F124 HydrophobicContact CE-CB 3.59Å; M120-F124 HydrophobicContact CE-CD1 3.86Å; M120-F124 HydrophobicContact CE-CD2 3.57Å; M120-F124 HydrophobicContact CE-CE1 4.45Å; M120-F124 HydrophobicContact CE-CE2 4.21Å; M120-F124 HydrophobicContact CE-CG 3.37Å; M120-F124 WeakPolarHBondContact O-CA 3.5Å; M120-F124 WeakPolarHBondContact O-CB 3.45Å; M120-F124 PolarHBondContact O-N 3.39Å; M120-F124 HydrophobicContact SD-CB 3.99Å; M120-F124 HydrophobicContact SD-CD2 4.27Å; M120-F124 HydrophobicContact SD-CG 4.26Å; F124-A127 CarbonylContact O-C 3.6Å; F124-A127 PolarHBondContact O-N 3.49Å; F124-W128 HydrophobicContact CE1-CB 4.33Å; F124-W128 HydrophobicContact CE1-CE3 4.46Å; F124-W128 HydrophobicContact CZ-CE3 4Å; F124-W128 VanDerWaalsContact O-CB 3.3Å; F124-W128 WeakPolarHBondContact O-CB 3.24Å; F124-W128 PolarHBondContact O-N 2.93Å
125M88.8Confident92.2Very high98 Ų9849.5 Ų49.548%0.48326%0.26SS..Hα-helixtrans-64-45.5-178.8-70.4-54-5800112.9A127 W128 N129M125-A127 VanDerWaalsContact C-N 3.28Å; M125-A127 PolarHBondContact O-N 3.07Å; M125-W128 PolarHBondContact O-N 3.1Å; M125-N129 VanDerWaalsContact O-CB 3.3Å; M125-N129 WeakPolarHBondContact O-CB 3.44Å; M125-N129 VanDerWaalsContact O-CG 3.27Å; M125-N129 PolarHBondContact O-N 2.88Å
126P92.2Very high92.5Very high30 Ų3050.4 Ų50.420%0.19526%0.262CS..Hα-helixtrans-61.3-35.3172.5-26.336.8000113.2R122 N129 L130 E131 I132R122-P126 WeakPolarHBondContact O-CG 3.43Å; P126-N129 PolarHBondContact O-N 3.18Å; P126-L130 PolarHBondContact O-N 3.01Å; P126-E131 HydrophobicContact CB-CB 4.21Å; P126-E131 WeakPolarHBondContact O-CB 3.39Å; P126-E131 PolarHBondContact O-N 3.24Å; P126-I132 HydrophobicContact CB-CB 4.48Å; P126-I132 HydrophobicContact CB-CD1 3.87Å; P126-I132 HydrophobicContact CB-CG1 3.94Å; P126-I132 PolarHBondContact O-N 2.89Å
127A93.3Very high92.8Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-69.4-45.3176.300000112.3H103 F107 L108 L111 F123 F124 M125 N129 L130 I132H103-A127 PolarHBondContact CE1-O 2.91Å; H103-A127 VanDerWaalsContact CE1-O 3.26Å; H103-A127 PolarHBondContact NE2-O 3.46Å; H103-A127 VanDerWaalsContact NE2-O 3.15Å; F107-A127 HydrophobicContact CD1-CB 4.22Å; F107-A127 HydrophobicContact CE1-CB 3.72Å; L108-A127 HydrophobicContact CD2-CB 3.62Å; L111-A127 HydrophobicContact CD1-CB 4.15Å; F123-A127 WeakPolarHBondContact O-CB 3.37Å; F123-A127 PolarHBondContact O-N 2.85Å; F123-A127 VanDerWaalsContact O-N 3.08Å; F124-A127 CarbonylContact O-C 3.6Å; F124-A127 PolarHBondContact O-N 3.49Å; M125-A127 VanDerWaalsContact C-N 3.28Å; M125-A127 PolarHBondContact O-N 3.07Å; A127-N129 PolarHBondContact O-N 3.44Å; A127-L130 PolarHBondContact O-N 2.93Å; A127-I132 WeakPolarHBondContact CA-O 3.46Å; A127-I132 HydrophobicContact CB-CB 4.21Å; A127-I132 HydrophobicContact CB-CG2 4.28Å
128W86.3Confident93.1Very high101 Ų10145.3 Ų45.338%0.38323%0.226SC..Hα-helixtrans-58.9-36.3173.8-174.5-101000111.6R75 I85 L108 F124 M125 L130R75-W128 PolarHBondContact NH2-O 3.08Å; R75-W128 VanDerWaalsContact NH2-O 3.14Å; I85-W128 HydrophobicContact CD1-CH2 4.15Å; L108-W128 HydrophobicContact CD1-CE3 3.96Å; L108-W128 HydrophobicContact CD1-CZ3 4.27Å; F124-W128 HydrophobicContact CE1-CB 4.33Å; F124-W128 HydrophobicContact CE1-CE3 4.46Å; F124-W128 HydrophobicContact CZ-CE3 4Å; F124-W128 VanDerWaalsContact O-CB 3.3Å; F124-W128 WeakPolarHBondContact O-CB 3.24Å; F124-W128 PolarHBondContact O-N 2.93Å; M125-W128 PolarHBondContact O-N 3.1Å; W128-L130 PolarHBondContact O-N 3.1Å
129N84.8Confident93.3Very high56 Ų5643.8 Ų43.830%0.29921%0.209SC..THydrogen-bonded Turntrans-78-1.4176.1-71.2-12000114.2R75 M125 P126 A127 E131R75-N129 PolarHBondContact NH1-O 3.2Å; R75-N129 PolarHBondContact NH2-O 2.82Å; M125-N129 VanDerWaalsContact O-CB 3.3Å; M125-N129 WeakPolarHBondContact O-CB 3.44Å; M125-N129 VanDerWaalsContact O-CG 3.27Å; M125-N129 PolarHBondContact O-N 2.88Å; P126-N129 PolarHBondContact O-N 3.18Å; A127-N129 PolarHBondContact O-N 3.44Å; N129-E131 HydrophobicContact CB-CG 4.06Å; N129-E131 WeakPolarHBondContact CB-OE1 3.34Å; N129-E131 PolarHBondContact ND2-OE1 2.71Å; N129-E131 PolarHBondContact O-N 3.4Å
130L87.8Confident93.5Very high38 Ų3843.6 Ų43.620%0.19921%0.208CC..THydrogen-bonded Turntrans54.519.8-172-64.1-166.2000114.6I71 L100 H103 P126 A127 W128 I132I71-L130 HydrophobicContact CB-CD1 3.79Å; I71-L130 HydrophobicContact CD1-CD1 3.83Å; I71-L130 HydrophobicContact CD1-CG 4.46Å; I71-L130 HydrophobicContact CG1-CD1 3.47Å; I71-L130 VanDerWaalsContact CG1-CD1 3.47Å; I71-L130 HydrophobicContact CG2-CD1 3.6Å; I71-L130 HydrophobicContact CG2-CG 4.03Å; L100-L130 HydrophobicContact CD1-CD1 3.98Å; H103-L130 VanDerWaalsContact CD2-CD2 3.49Å; H103-L130 WeakPolarHBondContact CD2-CD2 3.16Å; H103-L130 WeakPolarHBondContact NE2-CD2 3.33Å; P126-L130 PolarHBondContact O-N 3.01Å; A127-L130 PolarHBondContact O-N 2.93Å; W128-L130 PolarHBondContact O-N 3.1Å; L130-I132 VanDerWaalsContact C-N 3.29Å
131E90.4Very high93.8Very high112 Ų11245.9 Ų45.952%0.52322%0.219SC..SBendtrans-65.7-44.5163.1-61.5167-136.800107.8P126 N129 N185 M212P126-E131 HydrophobicContact CB-CB 4.21Å; P126-E131 WeakPolarHBondContact O-CB 3.39Å; P126-E131 PolarHBondContact O-N 3.24Å; N129-E131 HydrophobicContact CB-CG 4.06Å; N129-E131 WeakPolarHBondContact CB-OE1 3.34Å; N129-E131 PolarHBondContact ND2-OE1 2.71Å; N129-E131 PolarHBondContact O-N 3.4Å; E131-N185 PolarHBondContact O-ND2 2.8Å; E131-N185 VanDerWaalsContact O-ND2 3.17Å; E131-M212 WeakPolarHBondContact O-CE 3.25Å
132I95.7Very high94.2Very high13 Ų1341.9 Ų41.97%0.06721%0.208CC..SBendtrans-96.2122.2167.5-67.1179.4000109.5H103 F107 F123 P126 A127 L130 H186 M212H103-I132 PolarHBondContact CE1-O 3.07Å; H103-I132 VanDerWaalsContact CE1-O 3.32Å; F107-I132 HydrophobicContact CE1-CG2 3.92Å; F107-I132 HydrophobicContact CZ-CG2 3.91Å; F123-I132 HydrophobicContact CD1-CD1 4.17Å; P126-I132 HydrophobicContact CB-CB 4.48Å; P126-I132 HydrophobicContact CB-CD1 3.87Å; P126-I132 HydrophobicContact CB-CG1 3.94Å; P126-I132 PolarHBondContact O-N 2.89Å; A127-I132 WeakPolarHBondContact CA-O 3.46Å; A127-I132 HydrophobicContact CB-CB 4.21Å; A127-I132 HydrophobicContact CB-CG2 4.28Å; L130-I132 VanDerWaalsContact C-N 3.29Å; I132-H186 HydrophobicContact CG2-CB 3.75Å; I132-M212 HydrophobicContact CG1-CE 4.08Å
133I97.2Very high94.5Very high38 Ų3838.2 Ų38.220%0.19520%0.196CC..  trans-106.3119.8168.5-55.6177.6000107.6L100 T183 S184 N185 H186L100-I133 HydrophobicContact CD2-CG2 3.72Å; I133-T183 HydrophobicContact CG2-CG2 3.99Å; I133-S184 CarbonylContact O-C 3.45Å; I133-S184 WeakPolarHBondContact O-CA 3.27Å; I133-S184 WeakPolarHBondContact O-CB 3.48Å; I133-N185 PolarHBondContact N-OD1 3.18Å; I133-N185 PolarHBondContact O-N 3.21Å; I133-N185 PolarHBondContact O-OD1 2.71Å; I133-N185 VanDerWaalsContact O-OD1 3.08Å; I133-H186 PolarHBondContact O-N 3.26Å
134G98Very high94.5Very high1 Ų139.6 Ų39.61%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-118.4150.2-166.200000113.4H103 H186H103-G134 WeakPolarHBondContact CA-O 3.11Å; H103-G134 WeakPolarHBondContact CB-O 3.27Å; H103-G134 PolarHBondContact N-O 3.3Å; H103-G134 PolarHBondContact ND1-N 3.22Å; G134-H186 VanDerWaalsContact CA-O 3.32Å; G134-H186 WeakPolarHBondContact CA-O 3.26Å
135T98.5Very high94.5Very high0 Ų042.2 Ų42.20%023%0.232CC..EExtended strand (participates in β ladder)trans-133.6172.9170.3-172.90000111.2L102 F107 G178 L180 S184 H186 A187 I188L102-T135 WeakPolarHBondContact CD1-OG1 3.3Å; F107-T135 WeakPolarHBondContact CD2-O 3.44Å; T135-G178 WeakPolarHBondContact CB-O 3.42Å; T135-G178 PolarHBondContact OG1-O 2.81Å; T135-L180 HydrophobicContact CG2-CB 3.93Å; T135-L180 HydrophobicContact CG2-CD1 3.84Å; T135-L180 HydrophobicContact CG2-CG 4.45Å; T135-S184 WeakPolarHBondContact CB-OG 3.26Å; T135-H186 PolarHBondContact N-O 3.15Å; T135-H186 VanDerWaalsContact N-O 3.16Å; T135-A187 HydrophobicContact CG2-CB 3.87Å; T135-A187 WeakPolarHBondContact O-CA 3.39Å; T135-I188 PolarHBondContact O-N 3.39Å
136Y97.6Very high94.7Very high25 Ų2542.2 Ų42.210%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-117.1105.2-179.3-173.8-96.8000111M106 Q138 P177 I188M106-Y136 HydrophobicContact CB-CG 4.26Å; M106-Y136 HydrophobicContact CE-CD1 3.53Å; M106-Y136 HydrophobicContact CE-CE1 3.77Å; M106-Y136 HydrophobicContact CE-CG 3.98Å; Y136-Q138 HydrophobicContact CD1-CB 4.02Å; Y136-Q138 HydrophobicContact CE1-CB 3.5Å; Y136-Q138 HydrophobicContact CE1-CG 4.3Å; Y136-Q138 PolarHBondContact OH-OE1 3.39Å; Y136-Q138 VanDerWaalsContact OH-OE1 3.04Å; Y136-P177 WeakPolarHBondContact O-CB 3.23Å; Y136-I188 HydrophobicContact CD2-CB 3.95Å; Y136-I188 HydrophobicContact CD2-CG2 3.72Å; Y136-I188 HydrophobicContact CE2-CG2 3.77Å
137A98.2Very high94.6Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-100.483.7-173.200000112.2K174 P177 A187 I188 V189 L190A137-K174 HydrophobicContact CB-CB 4.34Å; A137-K174 HydrophobicContact CB-CD 4.48Å; A137-K174 HydrophobicContact CB-CG 4.12Å; A137-K174 WeakPolarHBondContact O-CE 3.46Å; A137-P177 HydrophobicContact CB-CG 3.99Å; A137-A187 HydrophobicContact CB-CB 4.32Å; A137-I188 PolarHBondContact N-O 3.12Å; A137-V189 HydrophobicContact CB-CG2 4.21Å; A137-L190 PolarHBondContact O-N 3.39Å
138Q96.9Very high94.5Very high29 Ų2951.3 Ų51.314%0.13626%0.262CS..  trans-100-61.8177.9175.5174.8-71.400112.4Y136 L147 L150 K174 L190Y136-Q138 HydrophobicContact CD1-CB 4.02Å; Y136-Q138 HydrophobicContact CE1-CB 3.5Å; Y136-Q138 HydrophobicContact CE1-CG 4.3Å; Y136-Q138 PolarHBondContact OH-OE1 3.39Å; Y136-Q138 VanDerWaalsContact OH-OE1 3.04Å; Q138-L147 HydrophobicContact CG-CD2 3.89Å; Q138-L150 HydrophobicContact CG-CD1 4.45Å; Q138-L150 WeakPolarHBondContact O-CD2 3.43Å; Q138-K174 PolarHBondContact O-NZ 3.48Å; Q138-L190 HydrophobicContact CB-CB 4.31Å; Q138-L190 HydrophobicContact CB-CD2 4.48Å; Q138-L190 HydrophobicContact CG-CB 4.38Å; Q138-L190 HydrophobicContact CG-CD2 3.74Å
139T97.8Very high94.9Very high40 Ų4047.5 Ų47.525%0.24525%0.254CS..  trans-60138.7-174.9-56.50000111.6K174 W175T139-K174 CarbonylContact O-C 3.57Å; T139-K174 VanDerWaalsContact O-CA 3.27Å; T139-K174 WeakPolarHBondContact O-CA 3.3Å; T139-K174 WeakPolarHBondContact O-CD 3.41Å; T139-W175 VanDerWaalsContact CB-O 3.28Å; T139-W175 WeakPolarHBondContact CB-O 3.49Å; T139-W175 WeakPolarHBondContact CG2-O 3.37Å; T139-W175 PolarHBondContact O-N 2.74Å
140E98.8Very high95.6Very high4 Ų445 Ų452%0.01924%0.241CC..BIsolated β-bridgetrans-112.9160.6171.9-73.2172.7-170.700110.2G142 H143 L150 E151 T152 S171 S172 I173 K174E140-G142 PolarHBondContact O-N 3.38Å; E140-H143 HydrophobicContact CB-CB 4.44Å; E140-H143 PolarHBondContact N-O 2.93Å; E140-H143 CarbonylContact O-C 3.46Å; E140-H143 PolarHBondContact O-N 3.49Å; E140-H143 VanDerWaalsContact O-N 3.09Å; E140-L150 HydrophobicContact CB-CD2 3.79Å; E140-L150 HydrophobicContact CG-CD2 3.51Å; E140-L150 WeakPolarHBondContact OE2-CA 3.48Å; E140-E151 PolarHBondContact OE1-N 3.5Å; E140-E151 PolarHBondContact OE2-N 3.27Å; E140-T152 WeakPolarHBondContact OE1-CB 3.47Å; E140-T152 PolarHBondContact OE1-N 2.98Å; E140-T152 PolarHBondContact OE1-OG1 2.86Å; E140-S171 WeakPolarHBondContact CB-O 3.43Å; E140-S172 WeakPolarHBondContact CG-O 3.44Å; E140-I173 CarbonylContact C-O 3.34Å; E140-I173 WeakPolarHBondContact CA-O 2.97Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 3.71Å; E140-K174 PolarHBondContact OE1-NZ 3.42Å
141M98.6Very high96.1Very high89 Ų8945.4 Ų45.444%0.43824%0.242SC..SBendtrans-54.1-40.2177.1-176.1-174.1-66.200112V170 S171 I173 W175M141-V170 HydrophobicContact CE-CG1 4.17Å; M141-V170 HydrophobicContact SD-CG1 3.87Å; M141-S171 PolarHBondContact N-O 2.89Å; M141-I173 PolarHBondContact N-O 3.2Å; M141-W175 HydrophobicContact CB-CB 4.35Å; M141-W175 HydrophobicContact CB-CE3 4.49Å; M141-W175 HydrophobicContact CE-CD2 4.16Å; M141-W175 HydrophobicContact CE-CE3 3.35Å; M141-W175 HydrophobicContact CE-CH2 3.91Å; M141-W175 HydrophobicContact CE-CZ3 3.21Å
142G98.1Very high96.5Very high44 Ų4440.1 Ų40.145%0.45422%0.217SC..SBendtrans-84.9-18.2177.900000115.1E140 S171E140-G142 PolarHBondContact O-N 3.38Å; G142-S171 PolarHBondContact N-O 3.23Å
143H97.9Very high96.6Very high48 Ų4840.8 Ų40.822%0.22222%0.222CC..  trans-145109.4-167-62.4105.9000112.7E140 G149 L150 E151E140-H143 HydrophobicContact CB-CB 4.44Å; E140-H143 PolarHBondContact N-O 2.93Å; E140-H143 CarbonylContact O-C 3.46Å; E140-H143 PolarHBondContact O-N 3.49Å; E140-H143 VanDerWaalsContact O-N 3.09Å; H143-G149 PolarHBondContact CE1-O 3.33Å; H143-G149 PolarHBondContact ND1-O 2.89Å; H143-G149 VanDerWaalsContact ND1-O 3.14Å; H143-G149 PolarHBondContact NE2-O 2.85Å; H143-L150 HydrophobicContact CB-CD2 3.8Å; H143-L150 HydrophobicContact CB-CG 4.41Å; H143-E151 IonicContact CE1-OE1 3.38Å; H143-E151 PolarHBondContact CE1-OE1 3.23Å; H143-E151 IonicContact ND1-OE1 3.39Å; H143-E151 PolarHBondContact ND1-OE1 2.86Å
144G94.7Very high96.7Very high38 Ų3839 Ų3939%0.39221%0.212SC..SBendtrans-109.2-59.7167.700000112.5L147G144-L147 VanDerWaalsContact O-CD2 3.27Å; G144-L147 WeakPolarHBondContact O-CD2 3.35Å
145T92.2Very high96.8Very high83 Ų8342 Ų4251%0.50923%0.231SC..SBendtrans-74.6-47.7-177.7-57.60000112.8L147 V426T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.37Å; T145-V426 HydrophobicContact CG2-CB 4.09Å; T145-V426 HydrophobicContact CG2-CG1 3.7Å; T145-V426 HydrophobicContact CG2-CG2 3.71Å
146H92.9Very high96.8Very high97 Ų9742.5 Ų42.545%0.44923%0.233SC..  trans-84.872.8-174.8-172.3-121.1000111.1R148 G149H146-R148 PolarHBondContact NE2-NE 3.02Å; H146-R148 PolarHBondContact NE2-NH2 3.3Å; H146-R148 VanDerWaalsContact NE2-NH2 3.19Å; H146-R148 PolarHBondContact O-N 3.15Å; H146-R148 VanDerWaalsContact O-N 3.15Å; H146-G149 PolarHBondContact O-N 2.78Å
147L90.5Very high96.8Very high24 Ų2443.2 Ų43.213%0.12624%0.238CC..G310 helixtrans-54.7-37.4-174.2-61.3-178.9000113.3Q138 G144 T145 G149 L150 L202 Y275 M278Q138-L147 HydrophobicContact CG-CD2 3.89Å; G144-L147 VanDerWaalsContact O-CD2 3.27Å; G144-L147 WeakPolarHBondContact O-CD2 3.35Å; T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.37Å; L147-G149 PolarHBondContact O-N 2.85Å; L147-L150 HydrophobicContact CB-CD1 4.45Å; L147-L150 HydrophobicContact CD2-CD1 4.17Å; L147-L150 WeakPolarHBondContact O-CB 3.4Å; L147-L150 WeakPolarHBondContact O-CG 3.46Å; L147-L150 PolarHBondContact O-N 3.1Å; L147-L202 HydrophobicContact CB-CD1 3.7Å; L147-L202 WeakPolarHBondContact O-CD1 3.4Å; L147-Y275 HydrophobicContact CD1-CE1 4.31Å; L147-M278 HydrophobicContact CD1-CE 4.33Å
148R91.2Very high96.7Very high198 Ų19846 Ų4675%0.74726%0.256SS*.G310 helixtrans-59.4-21.2177.8-62.1-179.3-58.3175.54.5113.5H146 Q192H146-R148 PolarHBondContact NE2-NE 3.02Å; H146-R148 PolarHBondContact NE2-NH2 3.3Å; H146-R148 VanDerWaalsContact NE2-NH2 3.19Å; H146-R148 PolarHBondContact O-N 3.15Å; H146-R148 VanDerWaalsContact O-N 3.15Å; R148-Q192 PolarHBondContact O-NE2 3.49Å; R148-Q192 VanDerWaalsContact O-NE2 3.09Å
149G96Very high96.7Very high20 Ų2049 Ų4921%0.20629%0.286CS..G310 helixtrans-86.8-4.9176.800000114.7H143 H146 L147 E151H143-G149 PolarHBondContact CE1-O 3.33Å; H143-G149 PolarHBondContact ND1-O 2.89Å; H143-G149 VanDerWaalsContact ND1-O 3.14Å; H143-G149 PolarHBondContact NE2-O 2.85Å; H146-G149 PolarHBondContact O-N 2.78Å; L147-G149 PolarHBondContact O-N 2.85Å; G149-E151 PolarHBondContact O-N 3.4Å
150L97.9Very high96.7Very high4 Ų450.4 Ų50.42%0.02130%0.295CS..  trans-52.9139.4176.3-69.6169.4000110.5Q138 E140 H143 L147 L190 Q192 L202Q138-L150 HydrophobicContact CG-CD1 4.45Å; Q138-L150 WeakPolarHBondContact O-CD2 3.43Å; E140-L150 HydrophobicContact CB-CD2 3.79Å; E140-L150 HydrophobicContact CG-CD2 3.51Å; E140-L150 WeakPolarHBondContact OE2-CA 3.48Å; H143-L150 HydrophobicContact CB-CD2 3.8Å; H143-L150 HydrophobicContact CB-CG 4.41Å; L147-L150 HydrophobicContact CB-CD1 4.45Å; L147-L150 HydrophobicContact CD2-CD1 4.17Å; L147-L150 WeakPolarHBondContact O-CB 3.4Å; L147-L150 WeakPolarHBondContact O-CG 3.46Å; L147-L150 PolarHBondContact O-N 3.1Å; L150-L190 HydrophobicContact CD1-CD2 4.08Å; L150-Q192 WeakPolarHBondContact O-CG 3.41Å; L150-Q192 PolarHBondContact O-NE2 3.17Å; L150-L202 HydrophobicContact CB-CD2 3.98Å; L150-L202 HydrophobicContact CD1-CD1 3.97Å; L150-L202 HydrophobicContact CD1-CD2 3.72Å; L150-L202 HydrophobicContact CG-CD2 4.43Å
151E98.8Very high96.7Very high47 Ų4754.5 Ų54.522%0.2231%0.314CS..  trans-107.2-20.4-165.8-63.5173.4-110.100112.5E140 H143 G149 T153 P168 T169 S171 S172E140-E151 PolarHBondContact OE1-N 3.5Å; E140-E151 PolarHBondContact OE2-N 3.27Å; H143-E151 IonicContact CE1-OE1 3.38Å; H143-E151 PolarHBondContact CE1-OE1 3.23Å; H143-E151 IonicContact ND1-OE1 3.39Å; H143-E151 PolarHBondContact ND1-OE1 2.86Å; G149-E151 PolarHBondContact O-N 3.4Å; E151-T153 WeakPolarHBondContact O-CG2 3.46Å; E151-T153 PolarHBondContact O-N 3.29Å; E151-P168 HydrophobicContact CB-CG 4.44Å; E151-P168 WeakPolarHBondContact O-CD 3.4Å; E151-P168 WeakPolarHBondContact O-CG 3.32Å; E151-T169 PolarHBondContact OE2-OG1 3.23Å; E151-S171 VanDerWaalsContact CD-OG 3.25Å; E151-S171 WeakPolarHBondContact OE1-CB 3.37Å; E151-S171 PolarHBondContact OE1-OG 3.34Å; E151-S171 PolarHBondContact OE2-OG 2.77Å; E151-S172 VanDerWaalsContact CB-CB 3.42Å
152T98.9Very high96.7Very high0 Ų052.7 Ų52.70%031%0.305CS..  trans-58.1128.2174.5-57.10000109.3E140 N166 S172 K174 V189 A191 Q192 L242E140-T152 WeakPolarHBondContact OE1-CB 3.47Å; E140-T152 PolarHBondContact OE1-N 2.98Å; E140-T152 PolarHBondContact OE1-OG1 2.86Å; T152-N166 WeakPolarHBondContact CA-O 3.48Å; T152-S172 PolarHBondContact OG1-O 3.04Å; T152-K174 WeakPolarHBondContact OG1-CE 3.35Å; T152-K174 PolarHBondContact OG1-NZ 3.48Å; T152-V189 HydrophobicContact CG2-CG1 4.21Å; T152-A191 HydrophobicContact CG2-CB 3.83Å; T152-A191 CarbonylContact O-C 3.58Å; T152-A191 WeakPolarHBondContact O-CA 3.43Å; T152-A191 WeakPolarHBondContact O-CB 3.35Å; T152-Q192 PolarHBondContact O-N 3.31Å; T152-L242 HydrophobicContact CG2-CD1 4.26Å
153T98.8Very high96.8Very high27 Ų2750.6 Ų50.617%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-107152.7-179.962.50000111.4E151 L165 N166 Y194E151-T153 WeakPolarHBondContact O-CG2 3.46Å; E151-T153 PolarHBondContact O-N 3.29Å; T153-L165 VanDerWaalsContact O-CA 3.25Å; T153-L165 WeakPolarHBondContact O-CA 3.4Å; T153-N166 PolarHBondContact N-O 3.32Å; T153-N166 PolarHBondContact O-N 3.33Å; T153-N166 VanDerWaalsContact O-N 3.09Å; T153-Y194 HydrophobicContact CG2-CD2 4.33Å; T153-Y194 HydrophobicContact CG2-CE2 3.78Å
154A98.8Very high96.8Very high0 Ų049.5 Ų49.50%028%0.279CS..EExtended strand (participates in β ladder)trans-131.598.4167.400000108L165 A191 Q192 Y194 F205A154-L165 HydrophobicContact CB-CG 4.12Å; A154-A191 HydrophobicContact CB-CB 3.93Å; A154-Q192 PolarHBondContact N-O 3.18Å; A154-Y194 PolarHBondContact O-N 2.84Å; A154-F205 HydrophobicContact CB-CD1 4.38Å; A154-F205 HydrophobicContact CB-CD2 4.02Å; A154-F205 HydrophobicContact CB-CE1 3.86Å; A154-F205 HydrophobicContact CB-CE2 3.47Å; A154-F205 VanDerWaalsContact CB-CE2 3.47Å; A154-F205 HydrophobicContact CB-CG 4.46Å; A154-F205 HydrophobicContact CB-CZ 3.37Å
155T98.8Very high97Very high65 Ų6547.7 Ų47.740%0.39926%0.261SS..EExtended strand (participates in β ladder)trans-96.7122-176-55.90000110.2F163 V164T155-F163 WeakPolarHBondContact O-CA 3.33Å; T155-V164 PolarHBondContact N-O 2.85Å; T155-V164 PolarHBondContact O-N 2.69Å
156Y98.8Very high97.3Very high11 Ų1145.5 Ų45.54%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-74.3132.5178.2-170.7-117.7000111.5P158 E162 F163 Y194 R249 V259 P261 G263Y156-P158 HydrophobicContact CD1-CG 3.94Å; Y156-P158 HydrophobicContact CE1-CB 4.11Å; Y156-P158 HydrophobicContact CE1-CG 3.92Å; Y156-E162 WeakPolarHBondContact CD2-O 3.48Å; Y156-F163 AromaticContact CD2-CD1 3.95Å; Y156-F163 HydrophobicContact CD2-CD1 3.95Å; Y156-F163 HydrophobicContact CD2-CD2 4.48Å; Y156-F163 AromaticContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE2 4.2Å; Y156-F163 HydrophobicContact CD2-CG 4.37Å; Y156-F163 AromaticContact CD2-CZ 3.76Å; Y156-F163 HydrophobicContact CD2-CZ 3.76Å; Y156-F163 HydrophobicContact CE2-CZ 4.45Å; Y156-F163 HydrophobicContact CG-CD1 4.43Å; Y156-F163 AromaticContact CG-CE1 4Å; Y156-F163 HydrophobicContact CG-CE1 4Å; Y156-F163 HydrophobicContact CG-CZ 4.43Å; Y156-Y194 WeakPolarHBondContact CB-O 3.33Å; Y156-Y194 PolarHBondContact N-O 3.18Å; Y156-R249 HydrophobicContact CE2-CB 3.99Å; Y156-R249 HydrophobicContact CE2-CG 3.71Å; Y156-R249 WeakPolarHBondContact OH-CD 3.05Å; Y156-V259 HydrophobicContact CD1-CG1 3.91Å; Y156-V259 HydrophobicContact CD2-CG1 4.2Å; Y156-V259 HydrophobicContact CE1-CG1 4.09Å; Y156-V259 HydrophobicContact CE2-CG1 4.37Å; Y156-V259 HydrophobicContact CG-CG1 3.98Å; Y156-P261 WeakPolarHBondContact OH-CA 3.27Å; Y156-P261 PolarHBondContact OH-O 3.22Å; Y156-G263 VanDerWaalsContact CE1-CA 3.42Å
157D98.3Very high97.6Very high39 Ų3941.1 Ų41.121%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-112.1100.3175179.7-3.7000109.2A159 T160 Q161 E162 R246D157-A159 PolarHBondContact O-N 3.34Å; D157-A159 WeakPolarHBondContact OD1-CB 2.85Å; D157-A159 PolarHBondContact OD1-N 2.91Å; D157-A159 VanDerWaalsContact OD1-N 3.11Å; D157-T160 WeakPolarHBondContact CB-OG1 3.34Å; D157-T160 PolarHBondContact O-N 3.29Å; D157-T160 PolarHBondContact OD2-OG1 3.03Å; D157-Q161 WeakPolarHBondContact O-CA 3.48Å; D157-Q161 PolarHBondContact O-N 3.43Å; D157-E162 PolarHBondContact N-O 2.99Å; D157-E162 PolarHBondContact O-N 3.27Å; D157-R246 IonicContact OD2-CZ 3.18Å; D157-R246 IonicContact OD2-NH1 3.67Å; D157-R246 PolarHBondContact OD2-NH1 3Å; D157-R246 IonicContact OD2-NH2 2.94Å; D157-R246 PolarHBondContact OD2-NH2 3.07Å
158P96.3Very high98Very high59 Ų5943.4 Ų43.438%0.38324%0.242SC..THydrogen-bonded Turntrans-63.6-23.7-178.1-22.633000114.2Y156 T160Y156-P158 HydrophobicContact CD1-CG 3.94Å; Y156-P158 HydrophobicContact CE1-CB 4.11Å; Y156-P158 HydrophobicContact CE1-CG 3.92Å; P158-T160 VanDerWaalsContact C-N 3.33Å
159A97.4Very high98.3Very high93 Ų9336.6 Ų36.677%0.76922%0.223SC*.THydrogen-bonded Turntrans-71.6-32.2-177.400000112D157D157-A159 PolarHBondContact O-N 3.34Å; D157-A159 WeakPolarHBondContact OD1-CB 2.85Å; D157-A159 PolarHBondContact OD1-N 2.91Å; D157-A159 VanDerWaalsContact OD1-N 3.11Å
160T97.9Very high98.5Very high69 Ų6940.5 Ų40.542%0.42324%0.242SC..THydrogen-bonded Turntrans-107.6-11.8-179.751.40000112.8D157 P158 E162 R246D157-T160 WeakPolarHBondContact CB-OG1 3.34Å; D157-T160 PolarHBondContact O-N 3.29Å; D157-T160 PolarHBondContact OD2-OG1 3.03Å; P158-T160 VanDerWaalsContact C-N 3.33Å; T160-E162 VanDerWaalsContact C-N 3.31Å; T160-E162 PolarHBondContact OG1-OE2 2.86Å; T160-R246 PolarHBondContact OG1-NH1 3.41Å; T160-R246 VanDerWaalsContact OG1-NH1 3.1Å
161Q98.3Very high98.5Very high89 Ų8942.2 Ų42.242%0.41626%0.255SS..THydrogen-bonded Turntrans55.546.5-171.1-58.2-178.346.200111.9D157 R249D157-Q161 WeakPolarHBondContact O-CA 3.48Å; D157-Q161 PolarHBondContact O-N 3.43Å; Q161-R249 VanDerWaalsContact O-CB 3.3Å; Q161-R249 WeakPolarHBondContact O-CB 3.46Å; Q161-R249 PolarHBondContact O-N 2.99Å
162E98.8Very high98.5Very high52 Ų5240 Ų4024%0.24325%0.245CC..EExtended strand (participates in β ladder)trans-126.4157.8-178.9-65.2-178.4136.300111.2Y156 D157 T160 R246 I247Y156-E162 WeakPolarHBondContact CD2-O 3.48Å; D157-E162 PolarHBondContact N-O 2.99Å; D157-E162 PolarHBondContact O-N 3.27Å; T160-E162 VanDerWaalsContact C-N 3.31Å; T160-E162 PolarHBondContact OG1-OE2 2.86Å; E162-R246 WeakPolarHBondContact OE2-CD 3.41Å; E162-R246 IonicContact OE2-CZ 2.69Å; E162-R246 IonicContact OE2-NE 3.05Å; E162-R246 IonicContact OE2-NH1 3.54Å; E162-R246 PolarHBondContact OE2-NH1 3.42Å; E162-I247 CarbonylContact C-O 3.58Å; E162-I247 WeakPolarHBondContact CA-O 3.49Å; E162-I247 WeakPolarHBondContact CB-O 3.45Å
163F98.8Very high98.5Very high0 Ų041 Ų410%025%0.25CS..EExtended strand (participates in β ladder)trans-98.8134.1162.3-67.6-77.5000109.8T155 Y156 L165 L193 F205 R246 I247 R249 M252 V259T155-F163 WeakPolarHBondContact O-CA 3.33Å; Y156-F163 AromaticContact CD2-CD1 3.95Å; Y156-F163 HydrophobicContact CD2-CD1 3.95Å; Y156-F163 HydrophobicContact CD2-CD2 4.48Å; Y156-F163 AromaticContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE1 3.62Å; Y156-F163 HydrophobicContact CD2-CE2 4.2Å; Y156-F163 HydrophobicContact CD2-CG 4.37Å; Y156-F163 AromaticContact CD2-CZ 3.76Å; Y156-F163 HydrophobicContact CD2-CZ 3.76Å; Y156-F163 HydrophobicContact CE2-CZ 4.45Å; Y156-F163 HydrophobicContact CG-CD1 4.43Å; Y156-F163 AromaticContact CG-CE1 4Å; Y156-F163 HydrophobicContact CG-CE1 4Å; Y156-F163 HydrophobicContact CG-CZ 4.43Å; F163-L165 HydrophobicContact CB-CD1 4.13Å; F163-L193 HydrophobicContact CD1-CD1 4.14Å; F163-L193 HydrophobicContact CE1-CD1 3.4Å; F163-L193 HydrophobicContact CZ-CD1 4.18Å; F163-F205 AromaticContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD2-CD1 4.09Å; F163-F205 AromaticContact CD2-CE1 3.87Å; F163-F205 HydrophobicContact CD2-CE1 3.87Å; F163-F205 AromaticContact CE1-CE1 3.95Å; F163-F205 HydrophobicContact CE1-CE1 3.95Å; F163-F205 HydrophobicContact CE2-CD1 4.44Å; F163-F205 AromaticContact CE2-CE1 3.96Å; F163-F205 HydrophobicContact CE2-CE1 3.96Å; F163-F205 HydrophobicContact CG-CD1 4.21Å; F163-F205 AromaticContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CZ-CE1 4.01Å; F163-R246 WeakPolarHBondContact O-CA 3.35Å; F163-I247 HydrophobicContact CB-CD1 4.41Å; F163-I247 HydrophobicContact CB-CG1 3.88Å; F163-I247 PolarHBondContact N-O 3.18Å; F163-I247 PolarHBondContact O-N 3.18Å; F163-R249 HydrophobicContact CE2-CB 4.37Å; F163-R249 HydrophobicContact CE2-CG 4.1Å; F163-R249 WeakPolarHBondContact CE2-O 3.4Å; F163-M252 HydrophobicContact CD2-CB 4.29Å; F163-M252 HydrophobicContact CE1-SD 4.47Å; F163-M252 HydrophobicContact CE2-CB 3.55Å; F163-M252 HydrophobicContact CE2-CG 4.41Å; F163-M252 HydrophobicContact CE2-SD 4.18Å; F163-M252 HydrophobicContact CZ-CB 4.03Å; F163-M252 HydrophobicContact CZ-CG 4.42Å; F163-M252 HydrophobicContact CZ-SD 3.66Å; F163-V259 HydrophobicContact CZ-CB 4.11Å; F163-V259 HydrophobicContact CZ-CG1 4.32Å; F163-V259 HydrophobicContact CZ-CG2 4.14Å
164V98.8Very high98.5Very high24 Ų2439.8 Ų39.815%0.14524%0.242CC..EExtended strand (participates in β ladder)trans-98.3110170-173.10000108.4T155 N244 R246T155-V164 PolarHBondContact N-O 2.85Å; T155-V164 PolarHBondContact O-N 2.69Å; V164-N244 HydrophobicContact CG1-CB 3.96Å; V164-R246 HydrophobicContact CG2-CG 4.06Å
165L98.8Very high98.5Very high0 Ų042.9 Ų42.90%025%0.254CS..EExtended strand (participates in β ladder)trans-92135176.8-72.388.5000111.5T153 A154 F163 V189 F205 V207 L242 N244 V245 I247T153-L165 VanDerWaalsContact O-CA 3.25Å; T153-L165 WeakPolarHBondContact O-CA 3.4Å; A154-L165 HydrophobicContact CB-CG 4.12Å; F163-L165 HydrophobicContact CB-CD1 4.13Å; L165-V189 HydrophobicContact CD2-CB 4.31Å; L165-V189 HydrophobicContact CD2-CG1 4.22Å; L165-F205 HydrophobicContact CD2-CB 4.36Å; L165-V207 HydrophobicContact CD2-CG2 3.61Å; L165-L242 HydrophobicContact CB-CB 4.46Å; L165-L242 HydrophobicContact CB-CD1 3.77Å; L165-L242 HydrophobicContact CD2-CD1 3.81Å; L165-L242 HydrophobicContact CG-CD1 4.46Å; L165-N244 CarbonylContact O-C 3.6Å; L165-N244 VanDerWaalsContact O-CA 3.28Å; L165-N244 WeakPolarHBondContact O-CA 3.42Å; L165-N244 PolarHBondContact O-N 3.48Å; L165-V245 PolarHBondContact N-O 3.21Å; L165-V245 PolarHBondContact O-N 2.89Å; L165-I247 HydrophobicContact CD1-CD1 3.36Å; L165-I247 HydrophobicContact CD1-CG1 3.53Å; L165-I247 HydrophobicContact CD1-CG2 4.29Å
166N98.9Very high98.5Very high37 Ų3746.1 Ų46.120%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-144.5141.8-178.3-168.461.9000112.5T152 T153 P168 L242 N244T152-N166 WeakPolarHBondContact CA-O 3.48Å; T153-N166 PolarHBondContact N-O 3.32Å; T153-N166 PolarHBondContact O-N 3.33Å; T153-N166 VanDerWaalsContact O-N 3.09Å; N166-P168 VanDerWaalsContact O-CD 3.3Å; N166-P168 WeakPolarHBondContact O-CD 3.34Å; N166-L242 CarbonylContact C-O 3.6Å; N166-L242 WeakPolarHBondContact CA-O 3.13Å; N166-L242 PolarHBondContact OD1-O 3.02Å; N166-N244 PolarHBondContact OD1-N 3.37Å; N166-N244 PolarHBondContact OD1-OD1 2.91Å
167S98.9Very high98.5Very high5 Ų545.9 Ų45.94%0.03526%0.259CS..  trans-102.690.4169.3-64.30000108.6T169 S172 L242S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.22Å; S167-S172 WeakPolarHBondContact CA-OG 3.38Å; S167-S172 VanDerWaalsContact CB-OG 3.3Å; S167-S172 WeakPolarHBondContact CB-OG 3.4Å; S167-L242 PolarHBondContact N-O 2.98Å; S167-L242 PolarHBondContact OG-N 3.37Å
168P98.4Very high98.5Very high72 Ų7244.4 Ų44.447%0.46825%0.252SS..  trans-66.9-23.6-169.526.9-36.8000114.4E151 N166 S172E151-P168 HydrophobicContact CB-CG 4.44Å; E151-P168 WeakPolarHBondContact O-CD 3.4Å; E151-P168 WeakPolarHBondContact O-CG 3.32Å; N166-P168 VanDerWaalsContact O-CD 3.3Å; N166-P168 WeakPolarHBondContact O-CD 3.34Å; P168-S172 WeakPolarHBondContact CD-OG 3.47Å
169T98.8Very high98.5Very high56 Ų5641.6 Ų41.634%0.34423%0.234SC..SBendtrans-136.1165.1-172.463.50000110.7E151 S167 S171 S172E151-T169 PolarHBondContact OE2-OG1 3.23Å; S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.22Å; T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact O-N 3.06Å; T169-S171 PolarHBondContact OG1-OG 3.1Å; T169-S172 PolarHBondContact N-OG 3.29Å; T169-S172 VanDerWaalsContact N-OG 3.1Å; T169-S172 PolarHBondContact O-N 3.24Å; T169-S172 PolarHBondContact O-OG 3.34Å; T169-S172 VanDerWaalsContact OG1-CB 3.32Å; T169-S172 WeakPolarHBondContact OG1-CB 3.38Å; T169-S172 PolarHBondContact OG1-N 2.67Å; T169-S172 PolarHBondContact OG1-OG 3.34Å
170V98.8Very high98.6Very high101 Ų10137.1 Ų37.161%0.61220%0.198SC*.SBendtrans-62.3-37.3170.6174.50000111.1M141 S172 I173M141-V170 HydrophobicContact CE-CG1 4.17Å; M141-V170 HydrophobicContact SD-CG1 3.87Å; V170-S172 PolarHBondContact O-N 2.85Å; V170-I173 HydrophobicContact CG1-CD1 4.35Å; V170-I173 WeakPolarHBondContact O-CB 3.44Å; V170-I173 VanDerWaalsContact O-CG1 3.32Å; V170-I173 WeakPolarHBondContact O-CG1 3.19Å; V170-I173 PolarHBondContact O-N 3.48Å
171S98.7Very high98.6Very high41 Ų4133.9 Ų33.929%0.28718%0.177SC..THydrogen-bonded Turntrans-66.1-26.4177.651.40000113.1E140 M141 G142 E151 T169 I173E140-S171 WeakPolarHBondContact CB-O 3.43Å; M141-S171 PolarHBondContact N-O 2.89Å; G142-S171 PolarHBondContact N-O 3.23Å; E151-S171 VanDerWaalsContact CD-OG 3.25Å; E151-S171 WeakPolarHBondContact OE1-CB 3.37Å; E151-S171 PolarHBondContact OE1-OG 3.34Å; E151-S171 PolarHBondContact OE2-OG 2.77Å; T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact O-N 3.06Å; T169-S171 PolarHBondContact OG1-OG 3.1Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 2.98Å
172S98.8Very high98.6Very high0 Ų034.6 Ų34.60%018%0.179CC..THydrogen-bonded Turntrans-75.7-9.717676.20000115E140 E151 T152 S167 P168 T169 V170 K174E140-S172 WeakPolarHBondContact CG-O 3.44Å; E151-S172 VanDerWaalsContact CB-CB 3.42Å; T152-S172 PolarHBondContact OG1-O 3.04Å; S167-S172 WeakPolarHBondContact CA-OG 3.38Å; S167-S172 VanDerWaalsContact CB-OG 3.3Å; S167-S172 WeakPolarHBondContact CB-OG 3.4Å; P168-S172 WeakPolarHBondContact CD-OG 3.47Å; T169-S172 PolarHBondContact N-OG 3.29Å; T169-S172 VanDerWaalsContact N-OG 3.1Å; T169-S172 PolarHBondContact O-N 3.24Å; T169-S172 PolarHBondContact O-OG 3.34Å; T169-S172 VanDerWaalsContact OG1-CB 3.32Å; T169-S172 WeakPolarHBondContact OG1-CB 3.38Å; T169-S172 PolarHBondContact OG1-N 2.67Å; T169-S172 PolarHBondContact OG1-OG 3.34Å; V170-S172 PolarHBondContact O-N 2.85Å; S172-K174 PolarHBondContact O-N 3.06Å
173I98.9Very high98.6Very high22 Ų2232.7 Ų32.711%0.11317%0.171CC..SBendtrans-62126178.2-64.9177000108E140 M141 V170 S171 W175 F239 K241E140-I173 CarbonylContact C-O 3.34Å; E140-I173 WeakPolarHBondContact CA-O 2.97Å; M141-I173 PolarHBondContact N-O 3.2Å; V170-I173 HydrophobicContact CG1-CD1 4.35Å; V170-I173 WeakPolarHBondContact O-CB 3.44Å; V170-I173 VanDerWaalsContact O-CG1 3.32Å; V170-I173 WeakPolarHBondContact O-CG1 3.19Å; V170-I173 PolarHBondContact O-N 3.48Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 2.98Å; I173-W175 HydrophobicContact CG2-CE3 4.32Å; I173-W175 PolarHBondContact O-N 2.85Å; I173-F239 HydrophobicContact CG2-CB 3.93Å; I173-F239 HydrophobicContact CG2-CD2 4.47Å; I173-K241 HydrophobicContact CD1-CB 4.26Å; I173-K241 HydrophobicContact CD1-CD 4.37Å; I173-K241 HydrophobicContact CD1-CG 4.36Å; I173-K241 HydrophobicContact CG1-CB 3.98Å; I173-K241 HydrophobicContact CG1-CG 4.07Å; I173-K241 HydrophobicContact CG2-CB 4.49Å
174K98.9Very high98.6Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-59.3138.2173.8-63.3-59.7-178-162.30108.8A137 Q138 T139 E140 T152 S172 L190 F239 L240A137-K174 HydrophobicContact CB-CB 4.34Å; A137-K174 HydrophobicContact CB-CD 4.48Å; A137-K174 HydrophobicContact CB-CG 4.12Å; A137-K174 WeakPolarHBondContact O-CE 3.46Å; Q138-K174 PolarHBondContact O-NZ 3.48Å; T139-K174 CarbonylContact O-C 3.57Å; T139-K174 VanDerWaalsContact O-CA 3.27Å; T139-K174 WeakPolarHBondContact O-CA 3.3Å; T139-K174 WeakPolarHBondContact O-CD 3.41Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 3.71Å; E140-K174 PolarHBondContact OE1-NZ 3.42Å; T152-K174 WeakPolarHBondContact OG1-CE 3.35Å; T152-K174 PolarHBondContact OG1-NZ 3.48Å; S172-K174 PolarHBondContact O-N 3.06Å; K174-L190 VanDerWaalsContact CE-O 3.29Å; K174-L190 WeakPolarHBondContact CE-O 3.44Å; K174-L190 PolarHBondContact NZ-O 2.89Å; K174-F239 CarbonylContact O-C 3.54Å; K174-F239 WeakPolarHBondContact O-CA 3.33Å; K174-L240 HydrophobicContact CB-CB 4.07Å; K174-L240 PolarHBondContact N-O 3.36Å; K174-L240 PolarHBondContact O-N 3.47Å
175W98.8Very high98.6Very high65 Ų6532.1 Ų32.125%0.24617%0.168CC..EExtended strand (participates in β ladder)trans-148.6135.2-172-159.3-78000110.7T139 M141 I173 P177 I226 F239T139-W175 VanDerWaalsContact CB-O 3.28Å; T139-W175 WeakPolarHBondContact CB-O 3.49Å; T139-W175 WeakPolarHBondContact CG2-O 3.37Å; T139-W175 PolarHBondContact O-N 2.74Å; M141-W175 HydrophobicContact CB-CB 4.35Å; M141-W175 HydrophobicContact CB-CE3 4.49Å; M141-W175 HydrophobicContact CE-CD2 4.16Å; M141-W175 HydrophobicContact CE-CE3 3.35Å; M141-W175 HydrophobicContact CE-CH2 3.91Å; M141-W175 HydrophobicContact CE-CZ3 3.21Å; I173-W175 HydrophobicContact CG2-CE3 4.32Å; I173-W175 PolarHBondContact O-N 2.85Å; W175-P177 VanDerWaalsContact O-CD 3.28Å; W175-P177 WeakPolarHBondContact O-CD 3.47Å; W175-I226 HydrophobicContact CD2-CG2 3.95Å; W175-I226 HydrophobicContact CG-CG2 4.32Å; W175-I226 HydrophobicContact CH2-CG2 4.37Å; W175-I226 HydrophobicContact CZ2-CB 3.75Å; W175-I226 HydrophobicContact CZ2-CG2 3.79Å; W175-F239 HydrophobicContact CD2-CB 4.32Å; W175-F239 HydrophobicContact CE3-CB 3.56Å; W175-F239 HydrophobicContact CZ3-CB 3.71Å; W175-F239 HydrophobicContact CZ3-CD1 4.32Å; W175-F239 HydrophobicContact CZ3-CG 4.21Å
176W98.6Very high98.6Very high134 Ų13432.8 Ų32.851%0.50817%0.171SC..  trans93.6-24.7-176.7-63.7106.8000119.9G178 I226 K229 N237 G238W176-G178 PolarHBondContact O-N 2.81Å; W176-I226 HydrophobicContact CD2-CD1 3.83Å; W176-I226 HydrophobicContact CE3-CD1 3.36Å; W176-I226 HydrophobicContact CH2-CD1 3.94Å; W176-I226 HydrophobicContact CZ2-CD1 4.35Å; W176-I226 HydrophobicContact CZ3-CD1 3.44Å; W176-I226 VanDerWaalsContact CZ3-CD1 3.44Å; W176-K229 HydrophobicContact CH2-CD 4.47Å; W176-K229 HydrophobicContact CZ3-CD 3.68Å; W176-K229 HydrophobicContact CZ3-CG 4.2Å; W176-N237 HydrophobicContact CE3-CB 4.42Å; W176-N237 WeakPolarHBondContact O-CB 3.46Å; W176-N237 PolarHBondContact O-ND2 3.4Å; W176-G238 PolarHBondContact N-O 2.85Å
177P98.4Very high98.6Very high6 Ų631 Ų314%0.03916%0.161CC..  trans-52.5121.1-175.5-29.134.4000112.5L102 Y136 A137 W175 L180 N237 G238L102-P177 HydrophobicContact CD1-CB 4.27Å; Y136-P177 WeakPolarHBondContact O-CB 3.23Å; A137-P177 HydrophobicContact CB-CG 3.99Å; W175-P177 VanDerWaalsContact O-CD 3.28Å; W175-P177 WeakPolarHBondContact O-CD 3.47Å; P177-L180 HydrophobicContact CB-CB 3.88Å; P177-L180 HydrophobicContact CB-CD2 3.79Å; P177-L180 HydrophobicContact CB-CG 4.46Å; P177-L180 HydrophobicContact CG-CD2 3.79Å; P177-L180 WeakPolarHBondContact O-CB 3.48Å; P177-L180 PolarHBondContact O-N 3.08Å; P177-N237 WeakPolarHBondContact O-CA 3.42Å; P177-G238 PolarHBondContact O-N 3.07Å
178G97.9Very high98.6Very high7 Ų730.8 Ų30.87%0.07216%0.16CC..THydrogen-bonded Turntrans-63.8140176.100000111.1T135 W176 L180T135-G178 WeakPolarHBondContact CB-O 3.42Å; T135-G178 PolarHBondContact OG1-O 2.81Å; W176-G178 PolarHBondContact O-N 2.81Å; G178-L180 PolarHBondContact O-N 3.33Å
179G98.1Very high98.6Very high0 Ų027.4 Ų27.40%014%0.137CC..THydrogen-bonded Turntrans77.9-6.1-175.400000114.5T183 S184 D236G179-T183 CarbonylContact O-C 3.58Å; G179-T183 WeakPolarHBondContact O-CB 3.45Å; G179-T183 PolarHBondContact O-N 3.4Å; G179-S184 VanDerWaalsContact O-CB 3.24Å; G179-S184 WeakPolarHBondContact O-CB 3.27Å; G179-S184 PolarHBondContact O-N 2.99Å; G179-S184 PolarHBondContact O-OG 3.23Å; G179-D236 VanDerWaalsContact C-OD2 3.3Å; G179-D236 VanDerWaalsContact CA-OD1 3.29Å; G179-D236 WeakPolarHBondContact CA-OD1 3.47Å; G179-D236 WeakPolarHBondContact CA-OD2 3.46Å; G179-D236 PolarHBondContact N-O 2.89Å
180L98.8Very high98.5Very high0 Ų025 Ų250%012%0.122CC..THydrogen-bonded Turntrans-76.2-31.8-178.1179.361.2000112.4T135 P177 G178 K182 A187 I209 V223 D236 L240T135-L180 HydrophobicContact CG2-CB 3.93Å; T135-L180 HydrophobicContact CG2-CD1 3.84Å; T135-L180 HydrophobicContact CG2-CG 4.45Å; P177-L180 HydrophobicContact CB-CB 3.88Å; P177-L180 HydrophobicContact CB-CD2 3.79Å; P177-L180 HydrophobicContact CB-CG 4.46Å; P177-L180 HydrophobicContact CG-CD2 3.79Å; P177-L180 WeakPolarHBondContact O-CB 3.48Å; P177-L180 PolarHBondContact O-N 3.08Å; G178-L180 PolarHBondContact O-N 3.33Å; L180-K182 PolarHBondContact O-N 3.36Å; L180-A187 HydrophobicContact CD1-CB 4.43Å; L180-I209 HydrophobicContact CD1-CD1 3.62Å; L180-V223 HydrophobicContact CD1-CG2 4.22Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.45Å; L180-D236 PolarHBondContact N-O 2.66Å; L180-L240 HydrophobicContact CD1-CB 4.1Å; L180-L240 HydrophobicContact CD1-CD2 4.23Å; L180-L240 HydrophobicContact CD2-CB 3.77Å; L180-L240 HydrophobicContact CG-CB 4.29Å
181G98.5Very high98.5Very high0 Ų020.1 Ų20.10%09%0.093CC..THydrogen-bonded Turntrans-64.7-43.1-169.100000112.8R210 G224 D236G181-R210 PolarHBondContact O-NH2 3.5Å; G181-G224 WeakPolarHBondContact CA-O 3.43Å; G181-D236 PolarHBondContact N-O 2.79Å; G181-D236 PolarHBondContact N-OD2 2.9Å
182K98.4Very high98.5Very high104 Ų10419.1 Ų19.145%0.4528%0.084SC..THydrogen-bonded Turntrans-145.8-22.5-169.7-60.3-62.9169.1-175.20113.9Y60 L180 H215 D236Y60-K182 HydrophobicContact CE1-CB 4.32Å; Y60-K182 WeakPolarHBondContact OH-CB 3.45Å; L180-K182 PolarHBondContact O-N 3.36Å; K182-H215 PolarHBondContact O-NE2 3.43Å; K182-D236 WeakPolarHBondContact CA-OD2 3.33Å; K182-D236 HydrophobicContact CB-CB 4.27Å; K182-D236 HydrophobicContact CG-CB 4.45Å; K182-D236 PolarHBondContact N-OD2 3.07Å
183T98.3Very high98.4Very high13 Ų1319.1 Ų19.18%0.088%0.084CC..THydrogen-bonded Turntrans-88.9-46-170.2-54.80000113.6Y60 P99 L100 I133 G179 H215 D236Y60-T183 PolarHBondContact OH-OG1 2.85Å; P99-T183 HydrophobicContact CB-CG2 3.9Å; P99-T183 WeakPolarHBondContact CB-OG1 3.18Å; L100-T183 HydrophobicContact CD2-CG2 4.06Å; I133-T183 HydrophobicContact CG2-CG2 3.99Å; G179-T183 CarbonylContact O-C 3.58Å; G179-T183 WeakPolarHBondContact O-CB 3.45Å; G179-T183 PolarHBondContact O-N 3.4Å; T183-H215 PolarHBondContact O-CE1 2.98Å; T183-D236 WeakPolarHBondContact CB-OD2 3.43Å; T183-D236 PolarHBondContact N-OD2 3.44Å; T183-D236 PolarHBondContact OG1-OD1 2.9Å; T183-D236 PolarHBondContact OG1-OD2 3.43Å
184S98.6Very high98.4Very high1 Ų122.1 Ų22.11%0.0079%0.094CC..  trans-84.5139.7-169.3-54.30000112.4I133 T135 G179 H186 R210I133-S184 CarbonylContact O-C 3.45Å; I133-S184 WeakPolarHBondContact O-CA 3.27Å; I133-S184 WeakPolarHBondContact O-CB 3.48Å; T135-S184 WeakPolarHBondContact CB-OG 3.26Å; G179-S184 VanDerWaalsContact O-CB 3.24Å; G179-S184 WeakPolarHBondContact O-CB 3.27Å; G179-S184 PolarHBondContact O-N 2.99Å; G179-S184 PolarHBondContact O-OG 3.23Å; S184-H186 WeakPolarHBondContact CB-O 3.3Å; S184-R210 VanDerWaalsContact O-CD 3.22Å; S184-R210 WeakPolarHBondContact O-CD 3.41Å; S184-R210 PolarHBondContact O-NE 3.25Å
185N98.5Very high98.4Very high11 Ų1122.1 Ų22.16%0.0599%0.094CC..SBendtrans-99.9-14.9170.85928.9000112.7E131 I133 I209 R210 M212E131-N185 PolarHBondContact O-ND2 2.8Å; E131-N185 VanDerWaalsContact O-ND2 3.17Å; I133-N185 PolarHBondContact N-OD1 3.18Å; I133-N185 PolarHBondContact O-N 3.21Å; I133-N185 PolarHBondContact O-OD1 2.71Å; I133-N185 VanDerWaalsContact O-OD1 3.08Å; N185-I209 VanDerWaalsContact C-CG1 3.46Å; N185-I209 VanDerWaalsContact O-CG1 3.23Å; N185-I209 WeakPolarHBondContact O-CG1 3.38Å; N185-I209 PolarHBondContact O-N 2.88Å; N185-R210 HydrophobicContact CB-CB 4.09Å; N185-R210 PolarHBondContact O-N 3.09Å; N185-M212 HydrophobicContact CB-SD 4.14Å
186H98.8Very high98.2Very high14 Ų1424.2 Ų24.27%0.06511%0.11CC..EExtended strand (participates in β ladder)trans-127.9154.1171.5-70.970.2000111.5F107 I132 I133 G134 T135 S184 V207 M212F107-H186 HydrophobicContact CE2-CB 4.3Å; F107-H186 HydrophobicContact CZ-CB 4.13Å; I132-H186 HydrophobicContact CG2-CB 3.75Å; I133-H186 PolarHBondContact O-N 3.26Å; G134-H186 VanDerWaalsContact CA-O 3.32Å; G134-H186 WeakPolarHBondContact CA-O 3.26Å; T135-H186 PolarHBondContact N-O 3.15Å; T135-H186 VanDerWaalsContact N-O 3.16Å; S184-H186 WeakPolarHBondContact CB-O 3.3Å; H186-V207 WeakPolarHBondContact CA-O 3.45Å; H186-M212 VanDerWaalsContact CE1-SD 3.57Å
187A98.7Very high98Very high0 Ų021.4 Ų21.40%012%0.123CC..EExtended strand (participates in β ladder)trans-136137.9170.200000110.5T135 A137 L180 V189 V207 I209T135-A187 HydrophobicContact CG2-CB 3.87Å; T135-A187 WeakPolarHBondContact O-CA 3.39Å; A137-A187 HydrophobicContact CB-CB 4.32Å; L180-A187 HydrophobicContact CD1-CB 4.43Å; A187-V189 HydrophobicContact CB-CG2 4.1Å; A187-V189 PolarHBondContact O-N 3.01Å; A187-V207 PolarHBondContact N-O 3.01Å; A187-V207 PolarHBondContact O-N 3.12Å; A187-I209 HydrophobicContact CB-CD1 4.28Å; A187-I209 HydrophobicContact CB-CG2 4.29Å
188I98.4Very high97.9Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-79.8108.5159.8-69.9168.7000106.9F107 T110 T135 Y136 A137 A204 F205 I206F107-I188 HydrophobicContact CD2-CB 4.41Å; F107-I188 HydrophobicContact CD2-CD1 3.63Å; F107-I188 HydrophobicContact CD2-CG1 3.66Å; F107-I188 HydrophobicContact CE2-CD1 3.97Å; F107-I188 HydrophobicContact CE2-CG1 3.65Å; F107-I188 HydrophobicContact CG-CD1 4.25Å; T110-I188 HydrophobicContact CG2-CD1 3.73Å; T110-I188 HydrophobicContact CG2-CG2 4.46Å; T135-I188 PolarHBondContact O-N 3.39Å; Y136-I188 HydrophobicContact CD2-CB 3.95Å; Y136-I188 HydrophobicContact CD2-CG2 3.72Å; Y136-I188 HydrophobicContact CE2-CG2 3.77Å; A137-I188 PolarHBondContact N-O 3.12Å; I188-A204 HydrophobicContact CG2-CB 3.8Å; I188-F205 CarbonylContact C-O 3.39Å; I188-F205 VanDerWaalsContact CA-O 3.3Å; I188-F205 WeakPolarHBondContact CA-O 3.39Å; I188-I206 HydrophobicContact CG1-CG1 4.11Å
189V98.6Very high97.9Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-96.8128.4-179.6-1790000109.3A137 T152 L165 A187 F205 V207 L240 L242A137-V189 HydrophobicContact CB-CG2 4.21Å; T152-V189 HydrophobicContact CG2-CG1 4.21Å; L165-V189 HydrophobicContact CD2-CB 4.31Å; L165-V189 HydrophobicContact CD2-CG1 4.22Å; A187-V189 HydrophobicContact CB-CG2 4.1Å; A187-V189 PolarHBondContact O-N 3.01Å; V189-F205 PolarHBondContact N-O 3.09Å; V189-F205 PolarHBondContact O-N 2.93Å; V189-V207 HydrophobicContact CB-CG2 3.92Å; V189-V207 HydrophobicContact CG2-CB 3.98Å; V189-V207 HydrophobicContact CG2-CG2 3.57Å; V189-L240 HydrophobicContact CG2-CD2 4.02Å; V189-L242 HydrophobicContact CG1-CD1 4.14Å; V189-L242 HydrophobicContact CG2-CD1 4.48Å
190L97.6Very high97.7Very high5 Ų531.3 Ų31.33%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-89.5120.9171.1-156.275.4000109.8A137 Q138 L150 K174 L202 H203 A204A137-L190 PolarHBondContact O-N 3.39Å; Q138-L190 HydrophobicContact CB-CB 4.31Å; Q138-L190 HydrophobicContact CB-CD2 4.48Å; Q138-L190 HydrophobicContact CG-CB 4.38Å; Q138-L190 HydrophobicContact CG-CD2 3.74Å; L150-L190 HydrophobicContact CD1-CD2 4.08Å; K174-L190 VanDerWaalsContact CE-O 3.29Å; K174-L190 WeakPolarHBondContact CE-O 3.44Å; K174-L190 PolarHBondContact NZ-O 2.89Å; L190-L202 HydrophobicContact CD1-CB 4.44Å; L190-L202 HydrophobicContact CD2-CB 4.11Å; L190-L202 HydrophobicContact CD2-CD1 3.79Å; L190-L202 HydrophobicContact CD2-CD2 4.3Å; L190-L202 HydrophobicContact CD2-CG 4.3Å; L190-L202 HydrophobicContact CG-CB 4.09Å; L190-L202 HydrophobicContact CG-CD2 4.26Å; L190-H203 WeakPolarHBondContact CA-O 3.31Å; L190-A204 HydrophobicContact CD1-CB 4.18Å
191A98.3Very high97.5Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-140.6156.3-175.100000112T152 A154 L193 L202 H203 F205T152-A191 HydrophobicContact CG2-CB 3.83Å; T152-A191 CarbonylContact O-C 3.58Å; T152-A191 WeakPolarHBondContact O-CA 3.43Å; T152-A191 WeakPolarHBondContact O-CB 3.35Å; A154-A191 HydrophobicContact CB-CB 3.93Å; A191-L193 PolarHBondContact O-N 3.3Å; A191-L202 WeakPolarHBondContact O-CA 3.27Å; A191-H203 PolarHBondContact N-O 3.18Å; A191-H203 PolarHBondContact O-N 2.9Å; A191-F205 HydrophobicContact CB-CD2 4.13Å; A191-F205 HydrophobicContact CB-CE2 4.05Å
192Q98.2Very high97.3Very high20 Ų2034.1 Ų34.19%0.09320%0.197CC..EExtended strand (participates in β ladder)trans-69.8113172.2-59.2-69.62.900109.1R148 L150 T152 A154 Y194 L202R148-Q192 PolarHBondContact O-NE2 3.49Å; R148-Q192 VanDerWaalsContact O-NE2 3.09Å; L150-Q192 WeakPolarHBondContact O-CG 3.41Å; L150-Q192 PolarHBondContact O-NE2 3.17Å; T152-Q192 PolarHBondContact O-N 3.31Å; A154-Q192 PolarHBondContact N-O 3.18Å; Q192-Y194 HydrophobicContact CB-CD2 4.38Å; Q192-Y194 HydrophobicContact CB-CE2 3.73Å; Q192-Y194 WeakPolarHBondContact O-CD2 3.48Å; Q192-L202 HydrophobicContact CG-CD2 4.42Å
193L98.2Very high97.1Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-76.5123.6179.3169.660.6000110.2F163 A191 C199 H200 G201 H203 F205 M252 V259 Y265F163-L193 HydrophobicContact CD1-CD1 4.14Å; F163-L193 HydrophobicContact CE1-CD1 3.4Å; F163-L193 HydrophobicContact CZ-CD1 4.18Å; A191-L193 PolarHBondContact O-N 3.3Å; L193-C199 CarbonylContact O-C 3.4Å; L193-C199 WeakPolarHBondContact O-CA 3.18Å; L193-H200 HydrophobicContact CB-CB 4.4Å; L193-H200 HydrophobicContact CD2-CB 4.06Å; L193-H200 HydrophobicContact CG-CB 4.2Å; L193-H200 PolarHBondContact O-N 3.35Å; L193-G201 PolarHBondContact N-O 3.41Å; L193-H203 HydrophobicContact CB-CB 4.15Å; L193-H203 WeakPolarHBondContact CB-ND1 3.26Å; L193-H203 HydrophobicContact CD2-CB 4.46Å; L193-F205 HydrophobicContact CB-CZ 4.29Å; L193-F205 HydrophobicContact CD1-CZ 4.09Å; L193-M252 HydrophobicContact CD2-CE 3.74Å; L193-M252 HydrophobicContact CD2-SD 4.16Å; L193-V259 HydrophobicContact CD1-CG2 4.19Å; L193-V259 HydrophobicContact CD2-CG2 3.83Å; L193-Y265 HydrophobicContact CD2-CD2 3.86Å; L193-Y265 HydrophobicContact CD2-CE2 3.84Å
194Y98.5Very high97Very high84 Ų8429.7 Ų29.733%0.32918%0.178SC..EExtended strand (participates in β ladder)trans-113.1127.2169.4-69.8-99.1000110.4T153 A154 Y156 Q192 N198 C199T153-Y194 HydrophobicContact CG2-CD2 4.33Å; T153-Y194 HydrophobicContact CG2-CE2 3.78Å; A154-Y194 PolarHBondContact O-N 2.84Å; Y156-Y194 WeakPolarHBondContact CB-O 3.33Å; Y156-Y194 PolarHBondContact N-O 3.18Å; Q192-Y194 HydrophobicContact CB-CD2 4.38Å; Q192-Y194 HydrophobicContact CB-CE2 3.73Å; Q192-Y194 WeakPolarHBondContact O-CD2 3.48Å; Y194-N198 CarbonylContact C-O 3.5Å; Y194-N198 VanDerWaalsContact CA-O 3.26Å; Y194-N198 WeakPolarHBondContact CA-O 3.25Å; Y194-C199 HydrophobicContact CD1-CB 3.97Å; Y194-C199 HydrophobicContact CE1-CB 3.56Å
195S97.9Very high96.9Very high1 Ų129.7 Ų29.71%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-141.8139170.7-166.90000110.8G197 N198 G263S195-G197 PolarHBondContact O-N 3.18Å; S195-G197 VanDerWaalsContact O-N 3.1Å; S195-N198 PolarHBondContact N-O 3.01Å; S195-N198 PolarHBondContact O-N 3Å; S195-G263 WeakPolarHBondContact CB-O 3.46Å; S195-G263 WeakPolarHBondContact OG-CA 3.25Å; S195-G263 PolarHBondContact OG-O 3.12Å
196L95.8Very high96.9Very high108 Ų10829.1 Ų29.157%0.56518%0.175SC*.THydrogen-bonded Turntrans48.338.9-176.6-57.2177000113N198L196-N198 VanDerWaalsContact C-N 3.28Å; L196-N198 PolarHBondContact O-N 3.2Å; L196-N198 PolarHBondContact O-ND2 3.33Å
197G93.1Very high96.9Very high76 Ų7628.5 Ų28.578%0.78417%0.172SC*.THydrogen-bonded Turntrans78.2-2-179.200000116S195S195-G197 PolarHBondContact O-N 3.18Å; S195-G197 VanDerWaalsContact O-N 3.1Å
198N96.9Very high96.9Very high98 Ų9830.3 Ų30.352%0.52418%0.184SC..EExtended strand (participates in β ladder)trans-104.2139.5-178-63-67.8000112Y194 S195 L196Y194-N198 CarbonylContact C-O 3.5Å; Y194-N198 VanDerWaalsContact CA-O 3.26Å; Y194-N198 WeakPolarHBondContact CA-O 3.25Å; S195-N198 PolarHBondContact N-O 3.01Å; S195-N198 PolarHBondContact O-N 3Å; L196-N198 VanDerWaalsContact C-N 3.28Å; L196-N198 PolarHBondContact O-N 3.2Å; L196-N198 PolarHBondContact O-ND2 3.33Å
199C97.1Very high96.9Very high65 Ų6530.3 Ų30.344%0.43918%0.184SC..EExtended strand (participates in β ladder)trans-86124.6170.2-174.60000110.3L193 Y194L193-C199 CarbonylContact O-C 3.4Å; L193-C199 WeakPolarHBondContact O-CA 3.18Å; Y194-C199 HydrophobicContact CD1-CB 3.97Å; Y194-C199 HydrophobicContact CE1-CB 3.56Å
200H95.4Very high97Very high58 Ų5831.1 Ų31.127%0.26919%0.187SC..EExtended strand (participates in β ladder)trans-103.78179.5-60.1-62.6000113L193 H203 Y265L193-H200 HydrophobicContact CB-CB 4.4Å; L193-H200 HydrophobicContact CD2-CB 4.06Å; L193-H200 HydrophobicContact CG-CB 4.2Å; L193-H200 PolarHBondContact O-N 3.35Å; H200-H203 PolarHBondContact O-CE1 3.5Å; H200-Y265 HydrophobicContact CB-CD1 4.26Å; H200-Y265 HydrophobicContact CB-CD2 4.21Å; H200-Y265 HydrophobicContact CB-CE1 4.13Å; H200-Y265 HydrophobicContact CB-CE2 4.08Å; H200-Y265 HydrophobicContact CB-CG 4.29Å; H200-Y265 AromaticContact CD2-CG 3.87Å; H200-Y265 AromaticContact CE1-CD1 3.92Å; H200-Y265 AromaticContact CE1-CG 3.94Å; H200-Y265 AromaticContact CG-CD1 3.79Å; H200-Y265 AromaticContact CG-CG 3.71Å; H200-Y265 AromaticContact ND1-CD1 3.5Å; H200-Y265 WeakPolarHBondContact ND1-CD1 3.22Å; H200-Y265 AromaticContact ND1-CG 3.77Å
201G93.8Very high97Very high24 Ų2433.6 Ų33.625%0.24720%0.2CC..EExtended strand (participates in β ladder)trans79.2-164.5-178.400000113.2L193 H203L193-G201 PolarHBondContact N-O 3.41Å; G201-H203 PolarHBondContact O-N 2.91Å; G201-H203 PolarHBondContact O-ND1 3.48Å
202L93.8Very high96.9Very high35 Ų3538.2 Ų38.218%0.18322%0.223CC..EExtended strand (participates in β ladder)trans-71.2128.4-170.8-65.4173.6000113.7L147 L150 L190 A191 Q192L147-L202 HydrophobicContact CB-CD1 3.7Å; L147-L202 WeakPolarHBondContact O-CD1 3.4Å; L150-L202 HydrophobicContact CB-CD2 3.98Å; L150-L202 HydrophobicContact CD1-CD1 3.97Å; L150-L202 HydrophobicContact CD1-CD2 3.72Å; L150-L202 HydrophobicContact CG-CD2 4.43Å; L190-L202 HydrophobicContact CD1-CB 4.44Å; L190-L202 HydrophobicContact CD2-CB 4.11Å; L190-L202 HydrophobicContact CD2-CD1 3.79Å; L190-L202 HydrophobicContact CD2-CD2 4.3Å; L190-L202 HydrophobicContact CD2-CG 4.3Å; L190-L202 HydrophobicContact CG-CB 4.09Å; L190-L202 HydrophobicContact CG-CD2 4.26Å; A191-L202 WeakPolarHBondContact O-CA 3.27Å; Q192-L202 HydrophobicContact CG-CD2 4.42Å
203H94.8Very high96.7Very high17 Ų1743.5 Ų43.58%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-135.1155.3173.6-70.879.6000110.7L190 A191 L193 H200 G201 F205 M252 S257 Y265L190-H203 WeakPolarHBondContact CA-O 3.31Å; A191-H203 PolarHBondContact N-O 3.18Å; A191-H203 PolarHBondContact O-N 2.9Å; L193-H203 HydrophobicContact CB-CB 4.15Å; L193-H203 WeakPolarHBondContact CB-ND1 3.26Å; L193-H203 HydrophobicContact CD2-CB 4.46Å; H200-H203 PolarHBondContact O-CE1 3.5Å; G201-H203 PolarHBondContact O-N 2.91Å; G201-H203 PolarHBondContact O-ND1 3.48Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.84Å; H203-F205 VanDerWaalsContact O-CD2 3.32Å; H203-F205 WeakPolarHBondContact O-CD2 3.41Å; H203-F205 VanDerWaalsContact O-CE2 3.27Å; H203-F205 WeakPolarHBondContact O-CE2 3.49Å; H203-M252 HydrophobicContact CB-CE 4.32Å; H203-M252 VanDerWaalsContact CD2-CE 3.41Å; H203-M252 WeakPolarHBondContact CD2-CE 3.31Å; H203-S257 PolarHBondContact NE2-OG 3.45Å; H203-Y265 AromaticContact CE1-CE2 3.78Å; H203-Y265 AromaticContact CE1-CZ 3.9Å; H203-Y265 PolarHBondContact CE1-OH 3.42Å; H203-Y265 AromaticContact NE2-CE2 3.52Å; H203-Y265 AromaticContact NE2-CZ 3.75Å; H203-Y265 PolarHBondContact NE2-OH 3.47Å; H203-Y265 VanDerWaalsContact NE2-OH 3.14Å
204A95.5Very high96.7Very high7 Ų747.5 Ų47.56%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-97134.9-179.100000110.6I188 L190 M253I188-A204 HydrophobicContact CG2-CB 3.8Å; L190-A204 HydrophobicContact CD1-CB 4.18Å; A204-M253 HydrophobicContact CB-CB 4.14Å; A204-M253 HydrophobicContact CB-CG 3.73Å; A204-M253 WeakPolarHBondContact O-CG 3.45Å; A204-M253 PolarHBondContact O-N 2.9Å
205F98.1Very high96.7Very high0 Ų046.8 Ų46.80%028%0.281CS..EExtended strand (participates in β ladder)trans-132132.9-178-58.7-92.9000110.2A154 F163 L165 I188 V189 A191 L193 H203 V207 I247 N251 M252A154-F205 HydrophobicContact CB-CD1 4.38Å; A154-F205 HydrophobicContact CB-CD2 4.02Å; A154-F205 HydrophobicContact CB-CE1 3.86Å; A154-F205 HydrophobicContact CB-CE2 3.47Å; A154-F205 VanDerWaalsContact CB-CE2 3.47Å; A154-F205 HydrophobicContact CB-CG 4.46Å; A154-F205 HydrophobicContact CB-CZ 3.37Å; F163-F205 AromaticContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD2-CD1 4.09Å; F163-F205 AromaticContact CD2-CE1 3.87Å; F163-F205 HydrophobicContact CD2-CE1 3.87Å; F163-F205 AromaticContact CE1-CE1 3.95Å; F163-F205 HydrophobicContact CE1-CE1 3.95Å; F163-F205 HydrophobicContact CE2-CD1 4.44Å; F163-F205 AromaticContact CE2-CE1 3.96Å; F163-F205 HydrophobicContact CE2-CE1 3.96Å; F163-F205 HydrophobicContact CG-CD1 4.21Å; F163-F205 AromaticContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CZ-CE1 4.01Å; L165-F205 HydrophobicContact CD2-CB 4.36Å; I188-F205 CarbonylContact C-O 3.39Å; I188-F205 VanDerWaalsContact CA-O 3.3Å; I188-F205 WeakPolarHBondContact CA-O 3.39Å; V189-F205 PolarHBondContact N-O 3.09Å; V189-F205 PolarHBondContact O-N 2.93Å; A191-F205 HydrophobicContact CB-CD2 4.13Å; A191-F205 HydrophobicContact CB-CE2 4.05Å; L193-F205 HydrophobicContact CB-CZ 4.29Å; L193-F205 HydrophobicContact CD1-CZ 4.09Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.84Å; H203-F205 VanDerWaalsContact O-CD2 3.32Å; H203-F205 WeakPolarHBondContact O-CD2 3.41Å; H203-F205 VanDerWaalsContact O-CE2 3.27Å; H203-F205 WeakPolarHBondContact O-CE2 3.49Å; F205-V207 HydrophobicContact CB-CG2 4.35Å; F205-V207 PolarHBondContact O-N 3.28Å; F205-I247 HydrophobicContact CB-CD1 3.84Å; F205-I247 HydrophobicContact CD1-CD1 4.16Å; F205-I247 HydrophobicContact CG-CD1 4.4Å; F205-N251 CarbonylContact C-O 3.41Å; F205-N251 WeakPolarHBondContact CA-O 3.29Å; F205-M252 HydrophobicContact CD1-CB 3.71Å; F205-M252 HydrophobicContact CD1-CG 4.14Å; F205-M252 HydrophobicContact CE1-CB 3.66Å; F205-M252 HydrophobicContact CE1-CG 3.74Å; F205-M252 HydrophobicContact CE1-SD 4.23Å; F205-M252 HydrophobicContact CZ-CG 4.31Å
206I98.3Very high96.7Very high0 Ų052.7 Ų52.70%031%0.308CS..EExtended strand (participates in β ladder)trans-81.7115.4173.1-59168.8000108.5L111 F123 I188 N251 M253L111-I206 HydrophobicContact CD2-CD1 3.62Å; L111-I206 HydrophobicContact CD2-CG1 4.46Å; F123-I206 HydrophobicContact CB-CD1 4.16Å; F123-I206 HydrophobicContact CD1-CD1 4.23Å; F123-I206 HydrophobicContact CD1-CG2 4.02Å; F123-I206 HydrophobicContact CD2-CD1 3.33Å; F123-I206 HydrophobicContact CE1-CD1 4.47Å; F123-I206 HydrophobicContact CE1-CG2 3.84Å; F123-I206 HydrophobicContact CE2-CD1 3.63Å; F123-I206 HydrophobicContact CG-CD1 3.66Å; F123-I206 HydrophobicContact CZ-CB 4.42Å; F123-I206 HydrophobicContact CZ-CD1 4.2Å; F123-I206 HydrophobicContact CZ-CG2 4.17Å; I188-I206 HydrophobicContact CG1-CG1 4.11Å; I206-N251 PolarHBondContact N-O 3.49Å; I206-N251 WeakPolarHBondContact O-CB 3.39Å; I206-N251 PolarHBondContact O-ND2 3.42Å; I206-M253 HydrophobicContact CD1-SD 3.69Å; I206-M253 HydrophobicContact CG1-SD 3.86Å
207V98.8Very high96.8Very high0 Ų050 Ų500%030%0.297CS..EExtended strand (participates in β ladder)trans-117115.8-177.1-172.70000108.9L165 H186 A187 V189 F205 I209 L242 V245 I247L165-V207 HydrophobicContact CD2-CG2 3.61Å; H186-V207 WeakPolarHBondContact CA-O 3.45Å; A187-V207 PolarHBondContact N-O 3.01Å; A187-V207 PolarHBondContact O-N 3.12Å; V189-V207 HydrophobicContact CB-CG2 3.92Å; V189-V207 HydrophobicContact CG2-CB 3.98Å; V189-V207 HydrophobicContact CG2-CG2 3.57Å; F205-V207 HydrophobicContact CB-CG2 4.35Å; F205-V207 PolarHBondContact O-N 3.28Å; V207-I209 HydrophobicContact CB-CG2 4.46Å; V207-I209 HydrophobicContact CG1-CG2 4.11Å; V207-I209 PolarHBondContact O-N 2.84Å; V207-L242 HydrophobicContact CG1-CD2 4.39Å; V207-V245 HydrophobicContact CG1-CG1 4.3Å; V207-I247 HydrophobicContact CG1-CG2 4.37Å; V207-I247 HydrophobicContact CG2-CD1 4.27Å
208P98.4Very high97.1Very high39 Ų3948.9 Ų48.925%0.25327%0.273SS..EExtended strand (participates in β ladder)trans-63.2127.2163.6-17.231.3000108.8L218P208-L218 HydrophobicContact CB-CD1 3.7Å
209I98.8Very high97.2Very high0 Ų050 Ų500%029%0.285CS..  trans-116.4-18.4-176.456168.1000112.9L180 N185 A187 V207 P217 L218 I221 L240L180-I209 HydrophobicContact CD1-CD1 3.62Å; N185-I209 VanDerWaalsContact C-CG1 3.46Å; N185-I209 VanDerWaalsContact O-CG1 3.23Å; N185-I209 WeakPolarHBondContact O-CG1 3.38Å; N185-I209 PolarHBondContact O-N 2.88Å; A187-I209 HydrophobicContact CB-CD1 4.28Å; A187-I209 HydrophobicContact CB-CG2 4.29Å; V207-I209 HydrophobicContact CB-CG2 4.46Å; V207-I209 HydrophobicContact CG1-CG2 4.11Å; V207-I209 PolarHBondContact O-N 2.84Å; I209-P217 WeakPolarHBondContact O-CA 3.37Å; I209-L218 PolarHBondContact O-N 2.87Å; I209-I221 HydrophobicContact CB-CG2 4.17Å; I209-I221 HydrophobicContact CG2-CD1 4.2Å; I209-I221 WeakPolarHBondContact O-CG2 3.43Å; I209-L240 HydrophobicContact CG2-CD1 4.01Å; I209-L240 HydrophobicContact CG2-CD2 4.05Å
210R98.8Very high97.3Very high16 Ų1648 Ų486%0.0628%0.276CS..BIsolated β-bridgetrans-135.8150.2176.6-61.6176.6-179.2-78.1-5.4110.7G181 S184 N185 H215 Q216G181-R210 PolarHBondContact O-NH2 3.5Å; S184-R210 VanDerWaalsContact O-CD 3.22Å; S184-R210 WeakPolarHBondContact O-CD 3.41Å; S184-R210 PolarHBondContact O-NE 3.25Å; N185-R210 HydrophobicContact CB-CB 4.09Å; N185-R210 PolarHBondContact O-N 3.09Å; R210-H215 WeakPolarHBondContact CD-CE1 3.4Å; R210-H215 WeakPolarHBondContact CD-ND1 3.34Å; R210-H215 WeakPolarHBondContact CD-NE2 3.4Å; R210-H215 WeakPolarHBondContact CD-O 3.24Å; R210-H215 PolarHBondContact NH1-O 3.48Å; R210-Q216 CarbonylContact C-O 3.59Å; R210-Q216 VanDerWaalsContact CA-O 3.27Å; R210-Q216 WeakPolarHBondContact CA-O 3.45Å
211D98.3Very high97.4Very high57 Ų5745.9 Ų45.931%0.30527%0.267SS..  trans-62.2137.3168.9175-107.1000110.3T213 T214 H215 Q216 L218D211-T213 PolarHBondContact O-N 3.02Å; D211-T213 PolarHBondContact OD1-N 3.33Å; D211-T213 VanDerWaalsContact OD1-N 3.12Å; D211-T214 WeakPolarHBondContact CB-OG1 3.14Å; D211-T214 WeakPolarHBondContact OD1-CB 3.47Å; D211-T214 PolarHBondContact OD1-N 2.86Å; D211-T214 PolarHBondContact OD1-OG1 2.51Å; D211-H215 WeakPolarHBondContact O-CA 3.5Å; D211-H215 PolarHBondContact O-N 3.1Å; D211-Q216 PolarHBondContact N-O 2.66Å; D211-L218 HydrophobicContact CB-CD2 4.07Å
212M95.6Very high97.7Very high97 Ų9747.7 Ų47.748%0.47827%0.273SS..THydrogen-bonded Turntrans-71.6-19.7-171.8-65.5-65.7-71.600113.2E131 I132 N185 H186E131-M212 WeakPolarHBondContact O-CE 3.25Å; I132-M212 HydrophobicContact CG1-CE 4.08Å; N185-M212 HydrophobicContact CB-SD 4.14Å; H186-M212 VanDerWaalsContact CE1-SD 3.57Å
213T95.4Very high97.9Very high132 Ų13246.9 Ų46.981%0.8127%0.269SS*.THydrogen-bonded Turntrans-101.4-47.7-176.7-53.30000111.7D211D211-T213 PolarHBondContact O-N 3.02Å; D211-T213 PolarHBondContact OD1-N 3.33Å; D211-T213 VanDerWaalsContact OD1-N 3.12Å
214T97.6Very high98.1Very high84 Ų8446.3 Ų46.352%0.51527%0.268SS..THydrogen-bonded Turntrans-95.8-13.8-173.564.80000113D211 Q216D211-T214 WeakPolarHBondContact CB-OG1 3.14Å; D211-T214 WeakPolarHBondContact OD1-CB 3.47Å; D211-T214 PolarHBondContact OD1-N 2.86Å; D211-T214 PolarHBondContact OD1-OG1 2.51Å; T214-Q216 PolarHBondContact O-N 2.94Å; T214-Q216 PolarHBondContact OG1-N 2.94Å
215H98.1Very high98.2Very high68 Ų6847.9 Ų47.932%0.31528%0.276SS..  trans59.510.9-175-151.459.6000114.6K182 T183 R210 D211K182-H215 PolarHBondContact O-NE2 3.43Å; T183-H215 PolarHBondContact O-CE1 2.98Å; R210-H215 WeakPolarHBondContact CD-CE1 3.4Å; R210-H215 WeakPolarHBondContact CD-ND1 3.34Å; R210-H215 WeakPolarHBondContact CD-NE2 3.4Å; R210-H215 WeakPolarHBondContact CD-O 3.24Å; R210-H215 PolarHBondContact NH1-O 3.48Å; D211-H215 WeakPolarHBondContact O-CA 3.5Å; D211-H215 PolarHBondContact O-N 3.1Å
216Q98.6Very high98.3Very high126 Ų12649.4 Ų49.459%0.58928%0.283SS*.PPolyproline II helixtrans-68.5143.6173.8-67.1-61.6-27.100109.9R210 D211 T214 L218R210-Q216 CarbonylContact C-O 3.59Å; R210-Q216 VanDerWaalsContact CA-O 3.27Å; R210-Q216 WeakPolarHBondContact CA-O 3.45Å; D211-Q216 PolarHBondContact N-O 2.66Å; T214-Q216 PolarHBondContact O-N 2.94Å; T214-Q216 PolarHBondContact OG1-N 2.94Å; Q216-L218 PolarHBondContact O-N 3.37Å
217P98.8Very high98.3Very high51 Ų5150.1 Ų50.133%0.33129%0.291SS..BIsolated β-bridgetrans-54.1136.9172.7-24.434.7000111.7I209 I221 V223I209-P217 WeakPolarHBondContact O-CA 3.37Å; P217-I221 HydrophobicContact CB-CB 4.33Å; P217-I221 HydrophobicContact CB-CG2 4.31Å; P217-V223 HydrophobicContact CB-CG1 4.06Å; P217-V223 HydrophobicContact CG-CG1 3.83Å
218L98.8Very high98.2Very high53 Ų5355.7 Ų55.728%0.27733%0.327SS..PPolyproline II helixtrans-70160.3175.6-68.5172.9000111.2P208 I209 D211 Q216 G220 I221P208-L218 HydrophobicContact CB-CD1 3.7Å; I209-L218 PolarHBondContact O-N 2.87Å; D211-L218 HydrophobicContact CB-CD2 4.07Å; Q216-L218 PolarHBondContact O-N 3.37Å; L218-G220 PolarHBondContact O-N 3.43Å; L218-I221 HydrophobicContact CB-CG1 4.02Å; L218-I221 VanDerWaalsContact O-CB 3.24Å; L218-I221 WeakPolarHBondContact O-CB 3.4Å; L218-I221 WeakPolarHBondContact O-CG1 3.43Å; L218-I221 PolarHBondContact O-N 2.9Å
219P98.6Very high98.2Very high120 Ų12055.9 Ų55.978%0.77932%0.324SS*.THydrogen-bonded Turntrans-52.5134.3176.5-27.435.8000112.7I221P219-I221 VanDerWaalsContact C-N 3.26Å; P219-I221 PolarHBondContact O-N 3.12Å
220G98.4Very high98.2Very high25 Ų2562.5 Ų62.526%0.25835%0.353SS..THydrogen-bonded Turntrans77.71.9-176.600000115L218 E243 V245L218-G220 PolarHBondContact O-N 3.43Å; G220-E243 PolarHBondContact O-N 2.85Å; G220-V245 WeakPolarHBondContact O-CG2 3.35Å
221I98.9Very high98.1Very high12 Ų1261.9 Ų61.96%0.06235%0.351CS..EExtended strand (participates in β ladder)trans-100.3124.2175.3-56.3-66.9000110.6I209 P217 L218 P219 V223 L240 L242 V245I209-I221 HydrophobicContact CB-CG2 4.17Å; I209-I221 HydrophobicContact CG2-CD1 4.2Å; I209-I221 WeakPolarHBondContact O-CG2 3.43Å; P217-I221 HydrophobicContact CB-CB 4.33Å; P217-I221 HydrophobicContact CB-CG2 4.31Å; L218-I221 HydrophobicContact CB-CG1 4.02Å; L218-I221 VanDerWaalsContact O-CB 3.24Å; L218-I221 WeakPolarHBondContact O-CB 3.4Å; L218-I221 WeakPolarHBondContact O-CG1 3.43Å; L218-I221 PolarHBondContact O-N 2.9Å; P219-I221 VanDerWaalsContact C-N 3.26Å; P219-I221 PolarHBondContact O-N 3.12Å; I221-V223 HydrophobicContact CG2-CB 4.08Å; I221-V223 HydrophobicContact CG2-CG1 3.94Å; I221-L240 HydrophobicContact CD1-CD1 4.4Å; I221-L240 HydrophobicContact CG2-CD1 3.63Å; I221-L242 HydrophobicContact CD1-CD2 3.33Å; I221-V245 HydrophobicContact CD1-CG1 4.2Å; I221-V245 HydrophobicContact CD1-CG2 3.69Å; I221-V245 HydrophobicContact CG1-CG2 4.41Å
222V98.8Very high97.9Very high63 Ų6360.8 Ų60.838%0.38234%0.344SS..EExtended strand (participates in β ladder)trans-115.5114.8166.3-168.30000108.7F239 L240 K241V222-F239 HydrophobicContact CG1-CE2 4.31Å; V222-L240 WeakPolarHBondContact O-CA 3.5Å; V222-K241 HydrophobicContact CB-CB 4.12Å; V222-K241 PolarHBondContact N-O 3.48Å; V222-K241 PolarHBondContact O-N 3.18Å
223V98.8Very high97.9Very high17 Ų1757.7 Ų57.710%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-139.9141.6-171.661.50000111.8L180 P217 I221 F239 L240L180-V223 HydrophobicContact CD1-CG2 4.22Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.45Å; P217-V223 HydrophobicContact CB-CG1 4.06Å; P217-V223 HydrophobicContact CG-CG1 3.83Å; I221-V223 HydrophobicContact CG2-CB 4.08Å; I221-V223 HydrophobicContact CG2-CG1 3.94Å; V223-F239 WeakPolarHBondContact CA-O 3.39Å; V223-F239 WeakPolarHBondContact CG2-O 3.36Å; V223-L240 HydrophobicContact CB-CD1 4.19Å
224G98.7Very high97.9Very high5 Ų551.7 Ų51.75%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-172.6176.9179.800000113.6G181 G238 F239G181-G224 WeakPolarHBondContact CA-O 3.43Å; G224-G238 CarbonylContact O-C 3.59Å; G224-G238 WeakPolarHBondContact O-CA 3.25Å; G224-F239 VanDerWaalsContact C-CE1 3.47Å; G224-F239 PolarHBondContact N-O 3.36Å; G224-F239 WeakPolarHBondContact O-CD1 3.46Å; G224-F239 PolarHBondContact O-N 2.86Å
225D98.8Very high97.9Very high41 Ų4147.9 Ų47.922%0.21927%0.269CS..EExtended strand (participates in β ladder)trans-79.4145.5178.117776.7000111.2R56 G227 F239R56-D225 IonicContact CZ-OD1 3.69Å; R56-D225 IonicContact CZ-OD2 2.84Å; R56-D225 IonicContact NH1-OD1 2.73Å; R56-D225 IonicContact NH1-OD2 3.25Å; R56-D225 PolarHBondContact NH1-OD2 3.23Å; R56-D225 IonicContact NH2-OD1 2.7Å; R56-D225 PolarHBondContact NH2-OD1 3.06Å; R56-D225 IonicContact NH2-OD2 3.96Å; R56-D225 PolarHBondContact NH2-OD2 3.03Å; D225-G227 VanDerWaalsContact C-N 3.32Å; D225-G227 PolarHBondContact O-N 3.35Å; D225-G227 VanDerWaalsContact OD2-CA 3.3Å; D225-G227 WeakPolarHBondContact OD2-CA 3.5Å; D225-G227 PolarHBondContact OD2-N 3.48Å; D225-F239 WeakPolarHBondContact O-CE1 3.49Å
226I98.6Very high97.9Very high31 Ų3144.8 Ų44.816%0.15926%0.255CS..  trans-83.4-3.8-17869.9179.5000114.3W175 W176 K229 N237 G238 F239W175-I226 HydrophobicContact CD2-CG2 3.95Å; W175-I226 HydrophobicContact CG-CG2 4.32Å; W175-I226 HydrophobicContact CH2-CG2 4.37Å; W175-I226 HydrophobicContact CZ2-CB 3.75Å; W175-I226 HydrophobicContact CZ2-CG2 3.79Å; W176-I226 HydrophobicContact CD2-CD1 3.83Å; W176-I226 HydrophobicContact CE3-CD1 3.36Å; W176-I226 HydrophobicContact CH2-CD1 3.94Å; W176-I226 HydrophobicContact CZ2-CD1 4.35Å; W176-I226 HydrophobicContact CZ3-CD1 3.44Å; W176-I226 VanDerWaalsContact CZ3-CD1 3.44Å; I226-K229 HydrophobicContact CD1-CD 4.42Å; I226-N237 HydrophobicContact CD1-CB 3.59Å; I226-N237 HydrophobicContact CG1-CB 3.97Å; I226-N237 WeakPolarHBondContact CG1-O 3.5Å; I226-N237 PolarHBondContact N-O 3.48Å; I226-G238 VanDerWaalsContact CG2-C 3.4Å; I226-G238 WeakPolarHBondContact CG2-O 3.49Å; I226-F239 HydrophobicContact CG2-CB 4.28Å; I226-F239 HydrophobicContact CG2-CD1 4.43Å
227G98.1Very high97.9Very high16 Ų1639.6 Ų39.617%0.16523%0.231CC..  trans99.3-174.6-179.200000114.7R56 D225R56-G227 PolarHBondContact NH1-O 3.01Å; D225-G227 VanDerWaalsContact C-N 3.32Å; D225-G227 PolarHBondContact O-N 3.35Å; D225-G227 VanDerWaalsContact OD2-CA 3.3Å; D225-G227 WeakPolarHBondContact OD2-CA 3.5Å; D225-G227 PolarHBondContact OD2-N 3.48Å
228P98.1Very high97.9Very high116 Ų11637.2 Ų37.275%0.75322%0.215SC*.  trans-66.9151.718029.7-35000111.6
229K98.2Very high97.9Very high44 Ų4437.2 Ų37.219%0.19121%0.213CC..  trans-131.7-177.7-177.4-56.9172.2-65.3-83.30109.2W176 I226 G231 F232 V235 N237W176-K229 HydrophobicContact CH2-CD 4.47Å; W176-K229 HydrophobicContact CZ3-CD 3.68Å; W176-K229 HydrophobicContact CZ3-CG 4.2Å; I226-K229 HydrophobicContact CD1-CD 4.42Å; K229-G231 WeakPolarHBondContact CB-O 3.33Å; K229-G231 WeakPolarHBondContact CE-O 3.43Å; K229-F232 HydrophobicContact CD-CB 4.48Å; K229-F232 VanDerWaalsContact CE-CB 3.41Å; K229-F232 WeakPolarHBondContact CE-O 3.33Å; K229-F232 PolarHBondContact NZ-O 2.99Å; K229-V235 PolarHBondContact NZ-O 2.86Å; K229-N237 HydrophobicContact CD-CB 4.47Å; K229-N237 WeakPolarHBondContact CE-OD1 3.28Å; K229-N237 PolarHBondContact NZ-OD1 3.23Å
230F98.3Very high97.9Very high138 Ų13831.5 Ų31.561%0.60518%0.176SC*.SBendtrans-67-40.3176.9-168.7-163.7000112.8Y411 V412 T415F230-Y411 HydrophobicContact CE1-CD1 4.31Å; F230-Y411 AromaticContact CE1-CE1 3.83Å; F230-Y411 HydrophobicContact CE1-CE1 3.83Å; F230-Y411 HydrophobicContact CZ-CD1 4.32Å; F230-Y411 HydrophobicContact CZ-CE1 4.04Å; F230-V412 HydrophobicContact CD1-CG1 4.23Å; F230-V412 HydrophobicContact CD2-CB 4.48Å; F230-V412 HydrophobicContact CD2-CG1 3.7Å; F230-V412 HydrophobicContact CE1-CG1 4.08Å; F230-V412 HydrophobicContact CE2-CG1 3.53Å; F230-V412 HydrophobicContact CG-CB 4.46Å; F230-V412 HydrophobicContact CG-CG1 4.06Å; F230-V412 HydrophobicContact CZ-CG1 3.73Å; F230-T415 HydrophobicContact CD1-CG2 4.09Å; F230-T415 HydrophobicContact CE1-CG2 4.36Å
231G96.3Very high98Very high3 Ų333.4 Ų33.43%0.03118%0.177CC..SBendtrans-141.3-151.3171.700000109.8K229 N233K229-G231 WeakPolarHBondContact CB-O 3.33Å; K229-G231 WeakPolarHBondContact CE-O 3.43Å; G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.45Å
232F95.3Very high98Very high34 Ų3432.9 Ų32.915%0.14918%0.175CC..  trans55.739.3178.2-83.4-110000112.6P97 K229 E234 V235 E413 P416 Y420P97-F232 HydrophobicContact CB-CD1 3.7Å; P97-F232 HydrophobicContact CB-CE1 3.59Å; P97-F232 HydrophobicContact CB-CG 4.43Å; P97-F232 HydrophobicContact CB-CZ 4.25Å; P97-F232 HydrophobicContact CG-CB 4.28Å; P97-F232 HydrophobicContact CG-CD1 3.54Å; P97-F232 HydrophobicContact CG-CD2 4.33Å; P97-F232 HydrophobicContact CG-CE1 3.86Å; P97-F232 HydrophobicContact CG-CG 3.79Å; P97-F232 HydrophobicContact CG-CZ 4.39Å; K229-F232 HydrophobicContact CD-CB 4.48Å; K229-F232 VanDerWaalsContact CE-CB 3.41Å; K229-F232 WeakPolarHBondContact CE-O 3.33Å; K229-F232 PolarHBondContact NZ-O 2.99Å; F232-E234 VanDerWaalsContact C-N 3.27Å; F232-E234 PolarHBondContact O-N 3.42Å; F232-V235 HydrophobicContact CD1-CB 4.36Å; F232-V235 HydrophobicContact CD1-CG2 4.23Å; F232-V235 PolarHBondContact O-N 2.89Å; F232-E413 VanDerWaalsContact CA-OE2 3.25Å; F232-E413 WeakPolarHBondContact CA-OE2 3.46Å; F232-E413 WeakPolarHBondContact CD2-OE2 3.24Å; F232-E413 WeakPolarHBondContact CE2-O 3.38Å; F232-E413 PolarHBondContact N-OE1 2.69Å; F232-E413 PolarHBondContact N-OE2 2.77Å; F232-P416 HydrophobicContact CD2-CG 3.91Å; F232-P416 HydrophobicContact CE2-CB 4.17Å; F232-P416 HydrophobicContact CE2-CG 3.69Å; F232-Y420 HydrophobicContact CZ-CE1 4.2Å
233N94.9Very high98Very high32 Ų3234 Ų3417%0.17118%0.176CC..THydrogen-bonded Turntrans-73.1-25.4-172.7-75.5-52000112.4R56 G231 V235R56-N233 HydrophobicContact CG-CB 4.13Å; R56-N233 WeakPolarHBondContact CG-O 3.42Å; R56-N233 PolarHBondContact NE-O 2.91Å; G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.45Å; N233-V235 VanDerWaalsContact C-N 3.3Å
234E96.2Very high97.9Very high6 Ų638.3 Ų38.33%0.02820%0.198CC..THydrogen-bonded Turntrans-77.4-12.8177.6-61.871.8-163.500112.7R59 Y60 A63 P99 F232R59-E234 HydrophobicContact CB-CG 4.17Å; R59-E234 WeakPolarHBondContact CD-OE1 3.34Å; R59-E234 IonicContact NH1-OE1 2.69Å; Y60-E234 WeakPolarHBondContact CD2-O 3.47Å; A63-E234 HydrophobicContact CB-CB 3.97Å; A63-E234 HydrophobicContact CB-CG 4.36Å; P99-E234 WeakPolarHBondContact CG-O 3.33Å; F232-E234 VanDerWaalsContact C-N 3.27Å; F232-E234 PolarHBondContact O-N 3.42Å
235V96.9Very high97.9Very high5 Ų538.8 Ų38.83%0.0320%0.2CC..SBendtrans-105.8128.7178.2-178.40000111R56 P97 K229 F232 N233 N237R56-V235 PolarHBondContact NH2-O 3.27Å; P97-V235 HydrophobicContact CB-CG2 3.56Å; P97-V235 HydrophobicContact CG-CG2 3.8Å; K229-V235 PolarHBondContact NZ-O 2.86Å; F232-V235 HydrophobicContact CD1-CB 4.36Å; F232-V235 HydrophobicContact CD1-CG2 4.23Å; F232-V235 PolarHBondContact O-N 2.89Å; N233-V235 VanDerWaalsContact C-N 3.3Å; V235-N237 VanDerWaalsContact C-N 3.26Å; V235-N237 PolarHBondContact O-N 3.3Å; V235-N237 VanDerWaalsContact O-N 3.09Å; V235-N237 PolarHBondContact O-OD1 3.13Å
236D98.1Very high97.9Very high3 Ų342.5 Ų42.52%0.01621%0.211CC..  trans-82.564.8173.162.1-53000110.9Y60 G179 L180 G181 K182 T183 G238Y60-D236 HydrophobicContact CD2-CB 4.21Å; Y60-D236 HydrophobicContact CE2-CB 3.74Å; Y60-D236 WeakPolarHBondContact CE2-OD1 3.38Å; G179-D236 VanDerWaalsContact C-OD2 3.3Å; G179-D236 VanDerWaalsContact CA-OD1 3.29Å; G179-D236 WeakPolarHBondContact CA-OD1 3.47Å; G179-D236 WeakPolarHBondContact CA-OD2 3.46Å; G179-D236 PolarHBondContact N-O 2.89Å; L180-D236 PolarHBondContact N-O 2.66Å; G181-D236 PolarHBondContact N-O 2.79Å; G181-D236 PolarHBondContact N-OD2 2.9Å; K182-D236 WeakPolarHBondContact CA-OD2 3.33Å; K182-D236 HydrophobicContact CB-CB 4.27Å; K182-D236 HydrophobicContact CG-CB 4.45Å; K182-D236 PolarHBondContact N-OD2 3.07Å; T183-D236 WeakPolarHBondContact CB-OD2 3.43Å; T183-D236 PolarHBondContact N-OD2 3.44Å; T183-D236 PolarHBondContact OG1-OD1 2.9Å; T183-D236 PolarHBondContact OG1-OD2 3.43Å; D236-G238 PolarHBondContact O-N 3.29Å
237N98.8Very high97.9Very high17 Ų1741.2 Ų41.29%0.09120%0.204CC..  trans-54.3125.5169.8-61.395.1000109W176 P177 I226 K229 V235W176-N237 HydrophobicContact CE3-CB 4.42Å; W176-N237 WeakPolarHBondContact O-CB 3.46Å; W176-N237 PolarHBondContact O-ND2 3.4Å; P177-N237 WeakPolarHBondContact O-CA 3.42Å; I226-N237 HydrophobicContact CD1-CB 3.59Å; I226-N237 HydrophobicContact CG1-CB 3.97Å; I226-N237 WeakPolarHBondContact CG1-O 3.5Å; I226-N237 PolarHBondContact N-O 3.48Å; K229-N237 HydrophobicContact CD-CB 4.47Å; K229-N237 WeakPolarHBondContact CE-OD1 3.28Å; K229-N237 PolarHBondContact NZ-OD1 3.23Å; V235-N237 VanDerWaalsContact C-N 3.26Å; V235-N237 PolarHBondContact O-N 3.3Å; V235-N237 VanDerWaalsContact O-N 3.09Å; V235-N237 PolarHBondContact O-OD1 3.13Å
238G98.8Very high98Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-114167.6-167.800000115.1W176 P177 G224 I226 D236W176-G238 PolarHBondContact N-O 2.85Å; P177-G238 PolarHBondContact O-N 3.07Å; G224-G238 CarbonylContact O-C 3.59Å; G224-G238 WeakPolarHBondContact O-CA 3.25Å; I226-G238 VanDerWaalsContact CG2-C 3.4Å; I226-G238 WeakPolarHBondContact CG2-O 3.49Å; D236-G238 PolarHBondContact O-N 3.29Å
239F98.9Very high98Very high53 Ų5338.7 Ų38.723%0.23218%0.18CC..EExtended strand (participates in β ladder)trans-110.6151.7160.766.9-100.6000110.9I173 K174 W175 V222 V223 G224 D225 I226I173-F239 HydrophobicContact CG2-CB 3.93Å; I173-F239 HydrophobicContact CG2-CD2 4.47Å; K174-F239 CarbonylContact O-C 3.54Å; K174-F239 WeakPolarHBondContact O-CA 3.33Å; W175-F239 HydrophobicContact CD2-CB 4.32Å; W175-F239 HydrophobicContact CE3-CB 3.56Å; W175-F239 HydrophobicContact CZ3-CB 3.71Å; W175-F239 HydrophobicContact CZ3-CD1 4.32Å; W175-F239 HydrophobicContact CZ3-CG 4.21Å; V222-F239 HydrophobicContact CG1-CE2 4.31Å; V223-F239 WeakPolarHBondContact CA-O 3.39Å; V223-F239 WeakPolarHBondContact CG2-O 3.36Å; G224-F239 VanDerWaalsContact C-CE1 3.47Å; G224-F239 PolarHBondContact N-O 3.36Å; G224-F239 WeakPolarHBondContact O-CD1 3.46Å; G224-F239 PolarHBondContact O-N 2.86Å; D225-F239 WeakPolarHBondContact O-CE1 3.49Å; I226-F239 HydrophobicContact CG2-CB 4.28Å; I226-F239 HydrophobicContact CG2-CD1 4.43Å
240L98.9Very high97.9Very high0 Ų040.1 Ų40.10%019%0.188CC..EExtended strand (participates in β ladder)trans-143.3120.7174.9170.771.8000110.7K174 L180 V189 I209 I221 V222 V223 L242K174-L240 HydrophobicContact CB-CB 4.07Å; K174-L240 PolarHBondContact N-O 3.36Å; K174-L240 PolarHBondContact O-N 3.47Å; L180-L240 HydrophobicContact CD1-CB 4.1Å; L180-L240 HydrophobicContact CD1-CD2 4.23Å; L180-L240 HydrophobicContact CD2-CB 3.77Å; L180-L240 HydrophobicContact CG-CB 4.29Å; V189-L240 HydrophobicContact CG2-CD2 4.02Å; I209-L240 HydrophobicContact CG2-CD1 4.01Å; I209-L240 HydrophobicContact CG2-CD2 4.05Å; I221-L240 HydrophobicContact CD1-CD1 4.4Å; I221-L240 HydrophobicContact CG2-CD1 3.63Å; V222-L240 WeakPolarHBondContact O-CA 3.5Å; V223-L240 HydrophobicContact CB-CD1 4.19Å; L240-L242 HydrophobicContact CD1-CD2 3.86Å; L240-L242 HydrophobicContact CD2-CD2 4.07Å; L240-L242 HydrophobicContact CG-CD2 3.93Å; L240-L242 HydrophobicContact CG-CG 4.29Å
241K98.9Very high97.9Very high66 Ų6633.7 Ų33.729%0.28716%0.16SC..EExtended strand (participates in β ladder)trans-110.3132.6170.1-174.1-166.8-179.9-161.90108.6I173 V222 E243I173-K241 HydrophobicContact CD1-CB 4.26Å; I173-K241 HydrophobicContact CD1-CD 4.37Å; I173-K241 HydrophobicContact CD1-CG 4.36Å; I173-K241 HydrophobicContact CG1-CB 3.98Å; I173-K241 HydrophobicContact CG1-CG 4.07Å; I173-K241 HydrophobicContact CG2-CB 4.49Å; V222-K241 HydrophobicContact CB-CB 4.12Å; V222-K241 PolarHBondContact N-O 3.48Å; V222-K241 PolarHBondContact O-N 3.18Å; K241-E243 HydrophobicContact CD-CG 4.33Å; K241-E243 WeakPolarHBondContact CE-OE1 3.24Å; K241-E243 HydrophobicContact CG-CG 4.48Å; K241-E243 IonicContact NZ-OE1 3.03Å; K241-E243 PolarHBondContact NZ-OE1 2.99Å
242L98.9Very high97.9Very high0 Ų033.5 Ų33.50%016%0.158CC..EExtended strand (participates in β ladder)trans-109.4125.4179.1-56.7173.4000109T152 L165 N166 S167 V189 V207 I221 L240 V245T152-L242 HydrophobicContact CG2-CD1 4.26Å; L165-L242 HydrophobicContact CB-CB 4.46Å; L165-L242 HydrophobicContact CB-CD1 3.77Å; L165-L242 HydrophobicContact CD2-CD1 3.81Å; L165-L242 HydrophobicContact CG-CD1 4.46Å; N166-L242 CarbonylContact C-O 3.6Å; N166-L242 WeakPolarHBondContact CA-O 3.13Å; N166-L242 PolarHBondContact OD1-O 3.02Å; S167-L242 PolarHBondContact N-O 2.98Å; S167-L242 PolarHBondContact OG-N 3.37Å; V189-L242 HydrophobicContact CG1-CD1 4.14Å; V189-L242 HydrophobicContact CG2-CD1 4.48Å; V207-L242 HydrophobicContact CG1-CD2 4.39Å; I221-L242 HydrophobicContact CD1-CD2 3.33Å; L240-L242 HydrophobicContact CD1-CD2 3.86Å; L240-L242 HydrophobicContact CD2-CD2 4.07Å; L240-L242 HydrophobicContact CG-CD2 3.93Å; L240-L242 HydrophobicContact CG-CG 4.29Å; L242-V245 HydrophobicContact CB-CG2 4.15Å; L242-V245 HydrophobicContact CD2-CG2 4.13Å
243E98.6Very high97.9Very high87 Ų8732.4 Ų32.441%0.40715%0.154SC..SBendtrans-112.886.5-179.6-60.1-175.416100109.6G220 K241 V245G220-E243 PolarHBondContact O-N 2.85Å; K241-E243 HydrophobicContact CD-CG 4.33Å; K241-E243 WeakPolarHBondContact CE-OE1 3.24Å; K241-E243 HydrophobicContact CG-CG 4.48Å; K241-E243 IonicContact NZ-OE1 3.03Å; K241-E243 PolarHBondContact NZ-OE1 2.99Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.46Å
244N98.4Very high97.9Very high108 Ų10831.8 Ų31.858%0.57815%0.15SC*.SBendtrans49.646.1-177.5-57.8-59.4000114.2V164 L165 N166 R246V164-N244 HydrophobicContact CG1-CB 3.96Å; L165-N244 CarbonylContact O-C 3.6Å; L165-N244 VanDerWaalsContact O-CA 3.28Å; L165-N244 WeakPolarHBondContact O-CA 3.42Å; L165-N244 PolarHBondContact O-N 3.48Å; N166-N244 PolarHBondContact OD1-N 3.37Å; N166-N244 PolarHBondContact OD1-OD1 2.91Å; N244-R246 PolarHBondContact O-N 3.45Å
245V98.8Very high97.6Very high14 Ų1435.6 Ų35.69%0.08517%0.166CC..EExtended strand (participates in β ladder)trans-73.9122.6-177.4175.80000110L165 V207 G220 I221 L242 E243 I247L165-V245 PolarHBondContact N-O 3.21Å; L165-V245 PolarHBondContact O-N 2.89Å; V207-V245 HydrophobicContact CG1-CG1 4.3Å; G220-V245 WeakPolarHBondContact O-CG2 3.35Å; I221-V245 HydrophobicContact CD1-CG1 4.2Å; I221-V245 HydrophobicContact CD1-CG2 3.69Å; I221-V245 HydrophobicContact CG1-CG2 4.41Å; L242-V245 HydrophobicContact CB-CG2 4.15Å; L242-V245 HydrophobicContact CD2-CG2 4.13Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.46Å; V245-I247 HydrophobicContact CG1-CG2 4.41Å
246R98.8Very high97.1Very high119 Ų11938.2 Ų38.245%0.44918%0.176SC..EExtended strand (participates in β ladder)trans-90.2131.1178.2-76.6171.8171-81.9-2.4111.2D157 T160 E162 F163 V164 N244D157-R246 IonicContact OD2-CZ 3.18Å; D157-R246 IonicContact OD2-NH1 3.67Å; D157-R246 PolarHBondContact OD2-NH1 3Å; D157-R246 IonicContact OD2-NH2 2.94Å; D157-R246 PolarHBondContact OD2-NH2 3.07Å; T160-R246 PolarHBondContact OG1-NH1 3.41Å; T160-R246 VanDerWaalsContact OG1-NH1 3.1Å; E162-R246 WeakPolarHBondContact OE2-CD 3.41Å; E162-R246 IonicContact OE2-CZ 2.69Å; E162-R246 IonicContact OE2-NE 3.05Å; E162-R246 IonicContact OE2-NH1 3.54Å; E162-R246 PolarHBondContact OE2-NH1 3.42Å; F163-R246 WeakPolarHBondContact O-CA 3.35Å; V164-R246 HydrophobicContact CG2-CG 4.06Å; N244-R246 PolarHBondContact O-N 3.45Å
247I98.7Very high96.8Very high4 Ų438.6 Ų38.62%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-131150171.766.2176.6000110.4E162 F163 L165 F205 V207 V245 N251E162-I247 CarbonylContact C-O 3.58Å; E162-I247 WeakPolarHBondContact CA-O 3.49Å; E162-I247 WeakPolarHBondContact CB-O 3.45Å; F163-I247 HydrophobicContact CB-CD1 4.41Å; F163-I247 HydrophobicContact CB-CG1 3.88Å; F163-I247 PolarHBondContact N-O 3.18Å; F163-I247 PolarHBondContact O-N 3.18Å; L165-I247 HydrophobicContact CD1-CD1 3.36Å; L165-I247 HydrophobicContact CD1-CG1 3.53Å; L165-I247 HydrophobicContact CD1-CG2 4.29Å; F205-I247 HydrophobicContact CB-CD1 3.84Å; F205-I247 HydrophobicContact CD1-CD1 4.16Å; F205-I247 HydrophobicContact CG-CD1 4.4Å; V207-I247 HydrophobicContact CG1-CG2 4.37Å; V207-I247 HydrophobicContact CG2-CD1 4.27Å; V245-I247 HydrophobicContact CG1-CG2 4.41Å; I247-N251 HydrophobicContact CB-CB 4.22Å; I247-N251 HydrophobicContact CD1-CB 3.74Å; I247-N251 HydrophobicContact CG1-CB 4.15Å
248P98.4Very high96.6Very high43 Ų4342.4 Ų42.428%0.27919%0.194SC..EExtended strand (participates in β ladder)trans-57.4151.4174.9-24.934.3000112.7E250 N251P248-E250 PolarHBondContact O-N 3.11Å; P248-N251 VanDerWaalsContact O-CB 3.31Å; P248-N251 WeakPolarHBondContact O-CB 3.21Å; P248-N251 PolarHBondContact O-N 3.41Å
249R98Very high96.6Very high37 Ų3742.4 Ų42.414%0.1419%0.194CC..G310 helixtrans-51.5-39.8174.2-173.6-174.567.595.57.4112.4Y156 Q161 F163 N251 M252 M254 V259Y156-R249 HydrophobicContact CE2-CB 3.99Å; Y156-R249 HydrophobicContact CE2-CG 3.71Å; Y156-R249 WeakPolarHBondContact OH-CD 3.05Å; Q161-R249 VanDerWaalsContact O-CB 3.3Å; Q161-R249 WeakPolarHBondContact O-CB 3.46Å; Q161-R249 PolarHBondContact O-N 2.99Å; F163-R249 HydrophobicContact CE2-CB 4.37Å; F163-R249 HydrophobicContact CE2-CG 4.1Å; F163-R249 WeakPolarHBondContact CE2-O 3.4Å; R249-N251 PolarHBondContact O-N 3.25Å; R249-M252 PolarHBondContact O-N 3.1Å; R249-M252 VanDerWaalsContact O-N 3.13Å; R249-M254 HydrophobicContact CG-CE 3.82Å; R249-M254 WeakPolarHBondContact O-CE 3.26Å; R249-V259 WeakPolarHBondContact CD-O 3.37Å; R249-V259 PolarHBondContact NH1-O 3.38Å
250E96.9Very high96.5Very high74 Ų7443.3 Ų43.335%0.34620%0.199SC..G310 helixtrans-66.8-6.8-178.5-63.567.5-144.400113.5Q119 P248Q119-E250 PolarHBondContact NE2-O 3.01Å; P248-E250 PolarHBondContact O-N 3.11Å
251N98Very high96.4Very high2 Ų246 Ų461%0.01122%0.217CC..G310 helixtrans-82.9-12.3174.2-72.738.8000113.2F205 I206 I247 P248 R249F205-N251 CarbonylContact C-O 3.41Å; F205-N251 WeakPolarHBondContact CA-O 3.29Å; I206-N251 PolarHBondContact N-O 3.49Å; I206-N251 WeakPolarHBondContact O-CB 3.39Å; I206-N251 PolarHBondContact O-ND2 3.42Å; I247-N251 HydrophobicContact CB-CB 4.22Å; I247-N251 HydrophobicContact CD1-CB 3.74Å; I247-N251 HydrophobicContact CG1-CB 4.15Å; P248-N251 VanDerWaalsContact O-CB 3.31Å; P248-N251 WeakPolarHBondContact O-CB 3.21Å; P248-N251 PolarHBondContact O-N 3.41Å; R249-N251 PolarHBondContact O-N 3.25Å
252M97.6Very high96.3Very high0 Ų047.5 Ų47.50%023%0.228CC..BIsolated β-bridgetrans-73.4131.7169.5175.3-175.4166.900110.3Q119 F163 L193 H203 F205 R249 M254 V259Q119-M252 PolarHBondContact NE2-O 3.15Å; F163-M252 HydrophobicContact CD2-CB 4.29Å; F163-M252 HydrophobicContact CE1-SD 4.47Å; F163-M252 HydrophobicContact CE2-CB 3.55Å; F163-M252 HydrophobicContact CE2-CG 4.41Å; F163-M252 HydrophobicContact CE2-SD 4.18Å; F163-M252 HydrophobicContact CZ-CB 4.03Å; F163-M252 HydrophobicContact CZ-CG 4.42Å; F163-M252 HydrophobicContact CZ-SD 3.66Å; L193-M252 HydrophobicContact CD2-CE 3.74Å; L193-M252 HydrophobicContact CD2-SD 4.16Å; H203-M252 HydrophobicContact CB-CE 4.32Å; H203-M252 VanDerWaalsContact CD2-CE 3.41Å; H203-M252 WeakPolarHBondContact CD2-CE 3.31Å; F205-M252 HydrophobicContact CD1-CB 3.71Å; F205-M252 HydrophobicContact CD1-CG 4.14Å; F205-M252 HydrophobicContact CE1-CB 3.66Å; F205-M252 HydrophobicContact CE1-CG 3.74Å; F205-M252 HydrophobicContact CE1-SD 4.23Å; F205-M252 HydrophobicContact CZ-CG 4.31Å; R249-M252 PolarHBondContact O-N 3.1Å; R249-M252 VanDerWaalsContact O-N 3.13Å; M252-M254 HydrophobicContact CB-CE 3.86Å; M252-M254 HydrophobicContact CB-CG 4.41Å; M252-M254 HydrophobicContact CG-CE 4.23Å; M252-M254 HydrophobicContact CG-CG 4.21Å; M252-M254 VanDerWaalsContact O-CG 3.3Å; M252-M254 WeakPolarHBondContact O-CG 3.48Å; M252-M254 PolarHBondContact O-N 3.12Å; M252-M254 VanDerWaalsContact O-N 3.12Å; M252-M254 HydrophobicContact SD-CE 3.94Å; M252-M254 HydrophobicContact SD-CG 4.42Å; M252-V259 HydrophobicContact CE-CG2 4.07Å; M252-V259 HydrophobicContact SD-CB 4.17Å; M252-V259 HydrophobicContact SD-CG2 3.62Å
253M94.8Very high96.2Very high11 Ų1147.6 Ų47.65%0.05423%0.229CC..  trans-67.2108.5179.4-61.5-59.6-73.900111.7T110 L111 Q114 A115 A204 I206T110-M253 HydrophobicContact CG2-CE 4.39Å; T110-M253 WeakPolarHBondContact O-CE 3.44Å; L111-M253 HydrophobicContact CD2-CE 4.04Å; L111-M253 HydrophobicContact CD2-SD 4.33Å; Q114-M253 VanDerWaalsContact C-CE 3.48Å; Q114-M253 HydrophobicContact CB-CB 4.37Å; Q114-M253 HydrophobicContact CB-CE 3.86Å; A115-M253 HydrophobicContact CB-CE 3.76Å; A115-M253 VanDerWaalsContact N-CE 3.29Å; A204-M253 HydrophobicContact CB-CB 4.14Å; A204-M253 HydrophobicContact CB-CG 3.73Å; A204-M253 WeakPolarHBondContact O-CG 3.45Å; A204-M253 PolarHBondContact O-N 2.9Å; I206-M253 HydrophobicContact CD1-SD 3.69Å; I206-M253 HydrophobicContact CG1-SD 3.86Å
254M94.3Very high96.2Very high19 Ų1946.5 Ų46.59%0.09423%0.228CC..  trans-111.316.6-163-80.6-167.6-158.600116.9R249 M252 S257 K258 V259R249-M254 HydrophobicContact CG-CE 3.82Å; R249-M254 WeakPolarHBondContact O-CE 3.26Å; M252-M254 HydrophobicContact CB-CE 3.86Å; M252-M254 HydrophobicContact CB-CG 4.41Å; M252-M254 HydrophobicContact CG-CE 4.23Å; M252-M254 HydrophobicContact CG-CG 4.21Å; M252-M254 VanDerWaalsContact O-CG 3.3Å; M252-M254 WeakPolarHBondContact O-CG 3.48Å; M252-M254 PolarHBondContact O-N 3.12Å; M252-M254 VanDerWaalsContact O-N 3.12Å; M252-M254 HydrophobicContact SD-CE 3.94Å; M252-M254 HydrophobicContact SD-CG 4.42Å; M254-S257 CarbonylContact C-O 3.6Å; M254-S257 WeakPolarHBondContact CA-O 3.35Å; M254-K258 HydrophobicContact CB-CG 4.36Å; M254-K258 HydrophobicContact SD-CB 4.27Å; M254-V259 HydrophobicContact CE-CB 4.33Å
255K90.4Very high96.1Very high86 Ų8644.1 Ų44.137%0.37421%0.212SC..SBendtrans-65.5-41.4178.8-172.2-178.4-179.2177.90113.1N113 Q114N113-K255 WeakPolarHBondContact O-CD 3.41Å; N113-K255 PolarHBondContact O-NZ 3.35Å; N113-K255 VanDerWaalsContact O-NZ 3.1Å; Q114-K255 VanDerWaalsContact C-CB 3.5Å; Q114-K255 WeakPolarHBondContact O-CB 3.32Å; Q114-K255 PolarHBondContact O-N 2.96Å
256Y86.8Confident95.9Very high60 Ų6046.4 Ų46.424%0.23523%0.225CC..SBendtrans-107.6-37.6-175.3-58.2-61.7000113.6N113 Q114 P268 L273N113-Y256 WeakPolarHBondContact O-CE2 3.43Å; N113-Y256 PolarHBondContact O-OH 2.88Å; Q114-Y256 HydrophobicContact CG-CE2 4.42Å; Y256-P268 WeakPolarHBondContact O-CA 3.36Å; Y256-P268 WeakPolarHBondContact O-CB 3.47Å; Y256-L273 HydrophobicContact CD1-CD1 3.88Å; Y256-L273 HydrophobicContact CD2-CB 4.24Å; Y256-L273 HydrophobicContact CE1-CD1 3.98Å; Y256-L273 HydrophobicContact CE2-CB 4.3Å; Y256-L273 HydrophobicContact CG-CB 4.41Å; Y256-L273 HydrophobicContact CG-CD1 4.37Å
257S91.9Very high95.6Very high10 Ų1048.9 Ų48.97%0.0724%0.239CC..  trans-116.9152.6175.4-54.70000109.6H203 M254 Y265 V266 P268H203-S257 PolarHBondContact NE2-OG 3.45Å; M254-S257 CarbonylContact C-O 3.6Å; M254-S257 WeakPolarHBondContact CA-O 3.35Å; S257-Y265 PolarHBondContact OG-OH 3.03Å; S257-V266 CarbonylContact C-O 3.49Å; S257-V266 VanDerWaalsContact CA-O 3.3Å; S257-V266 WeakPolarHBondContact CA-O 3.33Å; S257-P268 WeakPolarHBondContact OG-CD 3.3Å
258K94.6Very high95Very high97 Ų9750 Ų5042%0.42225%0.247SC..EExtended strand (participates in β ladder)trans-136.3153.8177.7-53.5-179.4-178.9178.80112.1M254 Y265 V266M254-K258 HydrophobicContact CB-CG 4.36Å; M254-K258 HydrophobicContact SD-CB 4.27Å; K258-Y265 CarbonylContact O-C 3.54Å; K258-Y265 WeakPolarHBondContact O-CA 3.48Å; K258-Y265 WeakPolarHBondContact O-CD2 3.43Å; K258-V266 HydrophobicContact CB-CB 4.05Å; K258-V266 HydrophobicContact CB-CG2 4.29Å; K258-V266 PolarHBondContact N-O 3.37Å; K258-V266 PolarHBondContact O-N 2.9Å
259V97.3Very high94.2Very high0 Ų053 Ų530%027%0.266CS..EExtended strand (participates in β ladder)trans-122114.7163.2176.40000106.7Y156 F163 L193 R249 M252 M254 T264 Y265Y156-V259 HydrophobicContact CD1-CG1 3.91Å; Y156-V259 HydrophobicContact CD2-CG1 4.2Å; Y156-V259 HydrophobicContact CE1-CG1 4.09Å; Y156-V259 HydrophobicContact CE2-CG1 4.37Å; Y156-V259 HydrophobicContact CG-CG1 3.98Å; F163-V259 HydrophobicContact CZ-CB 4.11Å; F163-V259 HydrophobicContact CZ-CG1 4.32Å; F163-V259 HydrophobicContact CZ-CG2 4.14Å; L193-V259 HydrophobicContact CD1-CG2 4.19Å; L193-V259 HydrophobicContact CD2-CG2 3.83Å; R249-V259 WeakPolarHBondContact CD-O 3.37Å; R249-V259 PolarHBondContact NH1-O 3.38Å; M252-V259 HydrophobicContact CE-CG2 4.07Å; M252-V259 HydrophobicContact SD-CB 4.17Å; M252-V259 HydrophobicContact SD-CG2 3.62Å; M254-V259 HydrophobicContact CE-CB 4.33Å; V259-T264 WeakPolarHBondContact CA-O 3.39Å; V259-Y265 HydrophobicContact CG2-CD2 4.15Å
260E97.3Very high93.1Very high72 Ų7252.5 Ų52.534%0.33627%0.269SS..  trans-70.4162.1177.9-62.8-58.8161.100111D262 G263 T264 V266E260-D262 WeakPolarHBondContact CB-OD1 3.29Å; E260-D262 PolarHBondContact O-N 2.97Å; E260-D262 VanDerWaalsContact O-N 3.12Å; E260-G263 WeakPolarHBondContact O-CA 3.3Å; E260-G263 PolarHBondContact O-N 3.48Å; E260-T264 PolarHBondContact N-O 3.01Å; E260-V266 HydrophobicContact CG-CG2 4.46Å
261P97.4Very high92Very high56 Ų5653.5 Ų53.536%0.36428%0.284SS..THydrogen-bonded Turntrans-54-32.6-178.3-29.937.4000114.5Y156 G263Y156-P261 WeakPolarHBondContact OH-CA 3.27Å; Y156-P261 PolarHBondContact OH-O 3.22Å; P261-G263 VanDerWaalsContact C-N 3.25Å; P261-G263 PolarHBondContact O-N 3.43Å
262D96.9Very high90.6Very high99 Ų9957.4 Ų57.453%0.52930%0.3SS..THydrogen-bonded Turntrans-77.5-6.2177.469.7-10.1000114.1E260 T264E260-D262 WeakPolarHBondContact CB-OD1 3.29Å; E260-D262 PolarHBondContact O-N 2.97Å; E260-D262 VanDerWaalsContact O-N 3.12Å; D262-T264 VanDerWaalsContact CG-OG1 3.28Å; D262-T264 VanDerWaalsContact OD1-CB 3.22Å; D262-T264 WeakPolarHBondContact OD1-CB 3.27Å; D262-T264 PolarHBondContact OD1-N 3.49Å; D262-T264 PolarHBondContact OD1-OG1 3.02Å; D262-T264 PolarHBondContact OD2-OG1 3.48Å
263G96.5Very high89.5Confident1 Ų158 Ų581%0.0130%0.304CS..  trans95.61.4-177.100000114.7Y156 S195 E260 P261 Y265Y156-G263 VanDerWaalsContact CE1-CA 3.42Å; S195-G263 WeakPolarHBondContact CB-O 3.46Å; S195-G263 WeakPolarHBondContact OG-CA 3.25Å; S195-G263 PolarHBondContact OG-O 3.12Å; E260-G263 WeakPolarHBondContact O-CA 3.3Å; E260-G263 PolarHBondContact O-N 3.48Å; P261-G263 VanDerWaalsContact C-N 3.25Å; P261-G263 PolarHBondContact O-N 3.43Å; G263-Y265 PolarHBondContact O-N 3.29Å
264T97.7Very high88.1Confident64 Ų6459.9 Ų59.939%0.39332%0.316SS..  trans-65126.2178.2-62.20000111.3V259 E260 D262V259-T264 WeakPolarHBondContact CA-O 3.39Å; E260-T264 PolarHBondContact N-O 3.01Å; D262-T264 VanDerWaalsContact CG-OG1 3.28Å; D262-T264 VanDerWaalsContact OD1-CB 3.22Å; D262-T264 WeakPolarHBondContact OD1-CB 3.27Å; D262-T264 PolarHBondContact OD1-N 3.49Å; D262-T264 PolarHBondContact OD1-OG1 3.02Å; D262-T264 PolarHBondContact OD2-OG1 3.48Å
265Y97.3Very high87Confident59 Ų5963 Ų6323%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-90.8131.8178.3176.9-105.4000112.6L193 H200 H203 S257 K258 V259 G263 K267L193-Y265 HydrophobicContact CD2-CD2 3.86Å; L193-Y265 HydrophobicContact CD2-CE2 3.84Å; H200-Y265 HydrophobicContact CB-CD1 4.26Å; H200-Y265 HydrophobicContact CB-CD2 4.21Å; H200-Y265 HydrophobicContact CB-CE1 4.13Å; H200-Y265 HydrophobicContact CB-CE2 4.08Å; H200-Y265 HydrophobicContact CB-CG 4.29Å; H200-Y265 AromaticContact CD2-CG 3.87Å; H200-Y265 AromaticContact CE1-CD1 3.92Å; H200-Y265 AromaticContact CE1-CG 3.94Å; H200-Y265 AromaticContact CG-CD1 3.79Å; H200-Y265 AromaticContact CG-CG 3.71Å; H200-Y265 AromaticContact ND1-CD1 3.5Å; H200-Y265 WeakPolarHBondContact ND1-CD1 3.22Å; H200-Y265 AromaticContact ND1-CG 3.77Å; H203-Y265 AromaticContact CE1-CE2 3.78Å; H203-Y265 AromaticContact CE1-CZ 3.9Å; H203-Y265 PolarHBondContact CE1-OH 3.42Å; H203-Y265 AromaticContact NE2-CE2 3.52Å; H203-Y265 AromaticContact NE2-CZ 3.75Å; H203-Y265 PolarHBondContact NE2-OH 3.47Å; H203-Y265 VanDerWaalsContact NE2-OH 3.14Å; S257-Y265 PolarHBondContact OG-OH 3.03Å; K258-Y265 CarbonylContact O-C 3.54Å; K258-Y265 WeakPolarHBondContact O-CA 3.48Å; K258-Y265 WeakPolarHBondContact O-CD2 3.43Å; V259-Y265 HydrophobicContact CG2-CD2 4.15Å; G263-Y265 PolarHBondContact O-N 3.29Å; Y265-K267 HydrophobicContact CE1-CB 4.13Å
266V95.5Very high86.1Confident62 Ų6260.4 Ų60.438%0.37632%0.324SS..EExtended strand (participates in β ladder)trans-112.7121.9175.7-173.90000109.8S257 K258 E260S257-V266 CarbonylContact C-O 3.49Å; S257-V266 VanDerWaalsContact CA-O 3.3Å; S257-V266 WeakPolarHBondContact CA-O 3.33Å; K258-V266 HydrophobicContact CB-CB 4.05Å; K258-V266 HydrophobicContact CB-CG2 4.29Å; K258-V266 PolarHBondContact N-O 3.37Å; K258-V266 PolarHBondContact O-N 2.9Å; E260-V266 HydrophobicContact CG-CG2 4.46Å
267K91.3Very high85.6Confident170 Ų17057.8 Ų57.874%0.73932%0.315SS*.  trans-78.2153.4-175.866.8-176.8177.8-177.30113.5Y265Y265-K267 HydrophobicContact CE1-CB 4.13Å
268P86Confident85.1Confident28 Ų2858.4 Ų58.418%0.18232%0.317CS..  trans-78.5160.7177.133.6-35.4000113.1Y256 S257 S270Y256-P268 WeakPolarHBondContact O-CA 3.36Å; Y256-P268 WeakPolarHBondContact O-CB 3.47Å; S257-P268 WeakPolarHBondContact OG-CD 3.3Å; P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 2.8Å
269P81.3Confident84.6Confident106 Ų10653.9 Ų53.969%0.68830%0.297SS*.SBendtrans-61.7-33.1175.1-2333.5000113.4
270S76.5Confident83.9Confident27 Ų2756.7 Ų56.719%0.18931%0.31CS..  trans-144.7131.9177173.60000110P268 K272 L273P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 2.8Å; S270-K272 PolarHBondContact O-N 3.45Å; S270-K272 PolarHBondContact OG-N 2.82Å; S270-L273 PolarHBondContact O-N 2.92Å
271S71.9Confident83.5Confident94 Ų9454.3 Ų54.366%0.65730%0.3SS*.THydrogen-bonded Turntrans-68.3-10.3175.457.50000113.6
272K69.8Low83.2Confident84 Ų8451.9 Ų51.937%0.36528%0.284SS..THydrogen-bonded Turntrans-85-14.3179.2-64.3-178.7-178.7177.70113.7S270 T274 Y275 L367S270-K272 PolarHBondContact O-N 3.45Å; S270-K272 PolarHBondContact OG-N 2.82Å; K272-T274 PolarHBondContact O-N 3.23Å; K272-Y275 WeakPolarHBondContact O-CD2 3.47Å; K272-Y275 PolarHBondContact O-N 3.43Å; K272-L367 HydrophobicContact CB-CD2 3.78Å; K272-L367 HydrophobicContact CD-CD2 4.45Å
273L73.2Confident82.8Confident13 Ų1347.3 Ų47.37%0.06826%0.26CS..G310 helixtrans-65.6-26.2-177.3-72.3165.6000112.8Y256 S270 Y275 G276 I359 F364Y256-L273 HydrophobicContact CD1-CD1 3.88Å; Y256-L273 HydrophobicContact CD2-CB 4.24Å; Y256-L273 HydrophobicContact CE1-CD1 3.98Å; Y256-L273 HydrophobicContact CE2-CB 4.3Å; Y256-L273 HydrophobicContact CG-CB 4.41Å; Y256-L273 HydrophobicContact CG-CD1 4.37Å; S270-L273 PolarHBondContact O-N 2.92Å; L273-Y275 PolarHBondContact O-N 3.09Å; L273-Y275 VanDerWaalsContact O-N 3.11Å; L273-G276 PolarHBondContact O-N 3.29Å; L273-G276 VanDerWaalsContact O-N 3.16Å; L273-I359 HydrophobicContact CD2-CG2 4.07Å; L273-F364 HydrophobicContact CD1-CE1 3.98Å; L273-F364 HydrophobicContact CD1-CZ 4.36Å; L273-F364 HydrophobicContact CD2-CD1 4.08Å; L273-F364 HydrophobicContact CD2-CE1 3.66Å; L273-F364 HydrophobicContact CG-CE1 4.24Å
274T66.8Low82.6Confident51 Ų5149.8 Ų49.831%0.31327%0.271SS..G310 helixtrans-59.6-20.8173.4-42.50000112.9K272K272-T274 PolarHBondContact O-N 3.23Å
275Y69.8Low82.5Confident85 Ų8546.9 Ų46.933%0.33325%0.254SS..G310 helixtrans-95.41.7-179.6-54.3-73.3000114.5L147 K272 L273 T277 M278 V279L147-Y275 HydrophobicContact CD1-CE1 4.31Å; K272-Y275 WeakPolarHBondContact O-CD2 3.47Å; K272-Y275 PolarHBondContact O-N 3.43Å; L273-Y275 PolarHBondContact O-N 3.09Å; L273-Y275 VanDerWaalsContact O-N 3.11Å; Y275-T277 PolarHBondContact O-N 3.14Å; Y275-M278 HydrophobicContact CD1-CE 3.93Å; Y275-M278 HydrophobicContact CD1-SD 4.2Å; Y275-M278 WeakPolarHBondContact O-CB 3.4Å; Y275-M278 PolarHBondContact O-N 2.88Å; Y275-V279 PolarHBondContact O-N 3.36Å; Y275-V279 VanDerWaalsContact O-N 3.09Å
276G72.4Confident82.5Confident30 Ų3044.1 Ų44.131%0.30924%0.243SC..Hα-helixtrans-55.1-46.1-174.500000113.6L273 M278 V279 F280L273-G276 PolarHBondContact O-N 3.29Å; L273-G276 VanDerWaalsContact O-N 3.16Å; G276-M278 VanDerWaalsContact C-N 3.32Å; G276-M278 PolarHBondContact O-N 3.18Å; G276-V279 PolarHBondContact O-N 3.48Å; G276-F280 PolarHBondContact O-N 3.41Å
277T75.4Confident82.5Confident6 Ų641.7 Ų41.74%0.03723%0.231CC..Hα-helixtrans-62.9-37.6176.6-45.50000112M106 P109 Y275 V279 F280 V281M106-T277 HydrophobicContact CE-CG2 4.31Å; M106-T277 HydrophobicContact SD-CG2 3.6Å; P109-T277 HydrophobicContact CB-CG2 4.33Å; Y275-T277 PolarHBondContact O-N 3.14Å; T277-V279 PolarHBondContact O-N 2.86Å; T277-F280 WeakPolarHBondContact O-CB 3.45Å; T277-F280 PolarHBondContact O-N 3.33Å; T277-V281 PolarHBondContact O-N 2.83Å
278M82Confident82.7Confident22 Ų2236.5 Ų36.511%0.10821%0.209CC..Hα-helixtrans-67-38.5180-169.6-173.6-65.200112.1L147 Y275 G276 F280 V281 R282 E421L147-M278 HydrophobicContact CD1-CE 4.33Å; Y275-M278 HydrophobicContact CD1-CE 3.93Å; Y275-M278 HydrophobicContact CD1-SD 4.2Å; Y275-M278 WeakPolarHBondContact O-CB 3.4Å; Y275-M278 PolarHBondContact O-N 2.88Å; G276-M278 VanDerWaalsContact C-N 3.32Å; G276-M278 PolarHBondContact O-N 3.18Å; M278-F280 VanDerWaalsContact C-N 3.31Å; M278-F280 PolarHBondContact O-N 3.13Å; M278-V281 PolarHBondContact O-N 3.44Å; M278-R282 WeakPolarHBondContact O-CG 3.17Å; M278-R282 PolarHBondContact O-N 3.06Å; M278-R282 PolarHBondContact SD-NH2 2.98Å; M278-E421 VanDerWaalsContact CG-OE2 3.24Å; M278-E421 WeakPolarHBondContact CG-OE2 3.48Å
279V83.4Confident83.3Confident3 Ų335.1 Ų35.12%0.01820%0.2CC..Hα-helixtrans-64.3-38.5175.9173.20000111.1Y275 G276 T277 R282 S283 Y352 L370Y275-V279 PolarHBondContact O-N 3.36Å; Y275-V279 VanDerWaalsContact O-N 3.09Å; G276-V279 PolarHBondContact O-N 3.48Å; T277-V279 PolarHBondContact O-N 2.86Å; V279-R282 PolarHBondContact O-N 3.35Å; V279-S283 PolarHBondContact O-N 3.14Å; V279-S283 VanDerWaalsContact O-N 3.1Å; V279-Y352 HydrophobicContact CG1-CD2 4.2Å; V279-Y352 HydrophobicContact CG1-CE2 4.45Å; V279-L370 HydrophobicContact CG1-CD1 4.03Å; V279-L370 HydrophobicContact CG1-CD2 3.68Å; V279-L370 HydrophobicContact CG1-CG 3.57Å
280F83.9Confident84.1Confident58 Ų5830.2 Ų30.225%0.25417%0.168SC..Hα-helixtrans-58.7-51.9174176.4-114.2000111.8G276 T277 M278 R282 S283 M284 Y352G276-F280 PolarHBondContact O-N 3.41Å; T277-F280 WeakPolarHBondContact O-CB 3.45Å; T277-F280 PolarHBondContact O-N 3.33Å; M278-F280 VanDerWaalsContact C-N 3.31Å; M278-F280 PolarHBondContact O-N 3.13Å; F280-R282 VanDerWaalsContact C-N 3.32Å; F280-R282 PolarHBondContact O-N 2.9Å; F280-S283 VanDerWaalsContact O-CB 3.29Å; F280-S283 WeakPolarHBondContact O-CB 3.42Å; F280-S283 PolarHBondContact O-N 3.21Å; F280-S283 VanDerWaalsContact O-N 3.1Å; F280-M284 HydrophobicContact CE1-CG 4.36Å; F280-M284 HydrophobicContact CE2-CG 4.29Å; F280-M284 HydrophobicContact CE2-SD 4.45Å; F280-M284 HydrophobicContact CZ-CG 4.12Å; F280-M284 HydrophobicContact CZ-SD 4.4Å; F280-M284 PolarHBondContact O-N 3.12Å; F280-M284 VanDerWaalsContact O-N 3.11Å; F280-Y352 HydrophobicContact CB-CD2 4.46Å; F280-Y352 HydrophobicContact CB-CE1 4.35Å; F280-Y352 HydrophobicContact CB-CE2 3.65Å; F280-Y352 AromaticContact CD2-CD1 3.9Å; F280-Y352 HydrophobicContact CD2-CD1 3.9Å; F280-Y352 AromaticContact CD2-CE1 3.4Å; F280-Y352 HydrophobicContact CD2-CE1 3.4Å; F280-Y352 HydrophobicContact CD2-CE2 4.16Å; F280-Y352 HydrophobicContact CD2-CG 4.47Å; F280-Y352 AromaticContact CD2-CZ 3.55Å; F280-Y352 HydrophobicContact CE2-CE1 4.1Å; F280-Y352 HydrophobicContact CG-CE1 4.25Å; F280-Y352 HydrophobicContact CG-CE2 4.39Å; F280-Y352 AromaticContact CG-CZ 3.95Å
281V88.4Confident85.1Confident22 Ų2233.5 Ų33.513%0.13318%0.177CC..Hα-helixtrans-63.4-38.8-178.8-173.90000111.4M106 T277 M278 S283 M284 I285 E421M106-V281 HydrophobicContact SD-CG2 3.48Å; M106-V281 WeakPolarHBondContact SD-CG2 3.48Å; T277-V281 PolarHBondContact O-N 2.83Å; M278-V281 PolarHBondContact O-N 3.44Å; V281-S283 VanDerWaalsContact C-N 3.3Å; V281-S283 PolarHBondContact O-N 2.9Å; V281-M284 WeakPolarHBondContact O-CB 3.46Å; V281-M284 PolarHBondContact O-N 3.12Å; V281-M284 VanDerWaalsContact O-N 3.14Å; V281-I285 HydrophobicContact CG1-CD1 4.17Å; V281-I285 HydrophobicContact CG1-CG1 4.42Å; V281-I285 WeakPolarHBondContact O-CG1 3.31Å; V281-I285 PolarHBondContact O-N 3.08Å; V281-E421 HydrophobicContact CB-CG 4.05Å; V281-E421 HydrophobicContact CG1-CG 3.55Å
282R91.5Very high86.3Confident5 Ų529.6 Ų29.62%0.01915%0.15CC..Hα-helixtrans-58.9-40.8173.9-73.7176.1178.5143.89.7112.8M278 V279 F280 M284 I285 V286 K378 E421 M427M278-R282 WeakPolarHBondContact O-CG 3.17Å; M278-R282 PolarHBondContact O-N 3.06Å; M278-R282 PolarHBondContact SD-NH2 2.98Å; V279-R282 PolarHBondContact O-N 3.35Å; F280-R282 VanDerWaalsContact C-N 3.32Å; F280-R282 PolarHBondContact O-N 2.9Å; R282-M284 VanDerWaalsContact C-N 3.34Å; R282-I285 PolarHBondContact O-N 2.74Å; R282-V286 PolarHBondContact O-N 2.9Å; R282-K378 HydrophobicContact CB-CB 4.32Å; R282-K378 HydrophobicContact CG-CB 4.42Å; R282-K378 HydrophobicContact CG-CG 4.31Å; R282-E421 HydrophobicContact CG-CB 4.16Å; R282-E421 PolarHBondContact NE-O 2.87Å; R282-E421 PolarHBondContact NH2-O 3.43Å; R282-M427 PolarHBondContact NH2-SD 3.47Å
283S88.8Confident87.7Confident4 Ų425.6 Ų25.63%0.02813%0.133CC..Hα-helixtrans-59.4-46.2174.5-171.10000111.1V279 F280 V281 I285 V286 M348V279-S283 PolarHBondContact O-N 3.14Å; V279-S283 VanDerWaalsContact O-N 3.1Å; F280-S283 VanDerWaalsContact O-CB 3.29Å; F280-S283 WeakPolarHBondContact O-CB 3.42Å; F280-S283 PolarHBondContact O-N 3.21Å; F280-S283 VanDerWaalsContact O-N 3.1Å; V281-S283 VanDerWaalsContact C-N 3.3Å; V281-S283 PolarHBondContact O-N 2.9Å; S283-I285 PolarHBondContact O-N 2.87Å; S283-V286 WeakPolarHBondContact O-CB 3.49Å; S283-V286 PolarHBondContact O-N 3.21Å; S283-M348 VanDerWaalsContact OG-C 3.27Å; S283-M348 WeakPolarHBondContact OG-CB 3.12Å; S283-M348 PolarHBondContact OG-O 3.42Å
284M90.9Very high88.9Confident52 Ų5225.2 Ų25.226%0.25613%0.131SC..Hα-helixtrans-61.9-40.3177.7-66.6-60.9-6700112.9Y86 F280 V281 R282 V286 G287 E288Y86-M284 HydrophobicContact CD2-CE 4.2Å; Y86-M284 HydrophobicContact CE2-CE 4.13Å; F280-M284 HydrophobicContact CE1-CG 4.36Å; F280-M284 HydrophobicContact CE2-CG 4.29Å; F280-M284 HydrophobicContact CE2-SD 4.45Å; F280-M284 HydrophobicContact CZ-CG 4.12Å; F280-M284 HydrophobicContact CZ-SD 4.4Å; F280-M284 PolarHBondContact O-N 3.12Å; F280-M284 VanDerWaalsContact O-N 3.11Å; V281-M284 WeakPolarHBondContact O-CB 3.46Å; V281-M284 PolarHBondContact O-N 3.12Å; V281-M284 VanDerWaalsContact O-N 3.14Å; R282-M284 VanDerWaalsContact C-N 3.34Å; M284-V286 PolarHBondContact O-N 2.95Å; M284-G287 WeakPolarHBondContact O-CA 3.46Å; M284-G287 PolarHBondContact O-N 3.29Å; M284-E288 PolarHBondContact O-N 2.81Å
285I96.2Very high90.5Very high4 Ų423.9 Ų23.92%0.02112%0.121CC..Hα-helixtrans-60-34.4179.1-68.9164.3000112V281 R282 S283 G287 E288 S289 K378 T382 T417 Y420 E421V281-I285 HydrophobicContact CG1-CD1 4.17Å; V281-I285 HydrophobicContact CG1-CG1 4.42Å; V281-I285 WeakPolarHBondContact O-CG1 3.31Å; V281-I285 PolarHBondContact O-N 3.08Å; R282-I285 PolarHBondContact O-N 2.74Å; S283-I285 PolarHBondContact O-N 2.87Å; I285-G287 VanDerWaalsContact C-N 3.3Å; I285-G287 PolarHBondContact O-N 2.99Å; I285-E288 WeakPolarHBondContact O-CB 3.43Å; I285-E288 PolarHBondContact O-N 3.37Å; I285-E288 VanDerWaalsContact O-N 3.14Å; I285-S289 PolarHBondContact O-N 2.83Å; I285-S289 PolarHBondContact O-OG 3.19Å; I285-K378 HydrophobicContact CB-CG 4.21Å; I285-K378 HydrophobicContact CD1-CG 4.21Å; I285-K378 HydrophobicContact CG2-CG 3.87Å; I285-T382 HydrophobicContact CG2-CG2 3.43Å; I285-T382 VanDerWaalsContact CG2-CG2 3.43Å; I285-T417 HydrophobicContact CG2-CG2 4.29Å; I285-Y420 HydrophobicContact CD1-CD2 3.97Å; I285-Y420 HydrophobicContact CD1-CE2 3.55Å; I285-Y420 HydrophobicContact CG1-CE2 4.06Å; I285-E421 HydrophobicContact CD1-CB 3.66Å; I285-E421 HydrophobicContact CD1-CG 3.62Å
286V96.9Very high91.8Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-61-42.2175.31770000110.7R282 S283 M284 S289 A290 V344 M348 L377 T381R282-V286 PolarHBondContact O-N 2.9Å; S283-V286 WeakPolarHBondContact O-CB 3.49Å; S283-V286 PolarHBondContact O-N 3.21Å; M284-V286 PolarHBondContact O-N 2.95Å; V286-S289 WeakPolarHBondContact O-CB 3.34Å; V286-S289 PolarHBondContact O-N 3.2Å; V286-A290 PolarHBondContact O-N 3.19Å; V286-V344 HydrophobicContact CG1-CB 4.46Å; V286-V344 HydrophobicContact CG1-CG1 3.89Å; V286-M348 HydrophobicContact CG1-CG 4.43Å; V286-M348 HydrophobicContact CG2-CG 4.46Å; V286-L377 HydrophobicContact CG2-CB 4.04Å; V286-T381 HydrophobicContact CG1-CG2 4.16Å
287G95.1Very high93.1Very high12 Ų1218.4 Ų18.412%0.1249%0.09CC..Hα-helixtrans-66-38172.300000113.1M284 I285 S289 A290 R291M284-G287 WeakPolarHBondContact O-CA 3.46Å; M284-G287 PolarHBondContact O-N 3.29Å; I285-G287 VanDerWaalsContact C-N 3.3Å; I285-G287 PolarHBondContact O-N 2.99Å; G287-S289 VanDerWaalsContact C-N 3.35Å; G287-S289 PolarHBondContact O-N 3.24Å; G287-A290 WeakPolarHBondContact O-CB 3.31Å; G287-A290 PolarHBondContact O-N 3.04Å; G287-R291 WeakPolarHBondContact O-CG 3.32Å; G287-R291 PolarHBondContact O-N 2.91Å
288E95.7Very high94.2Very high60 Ų6018.1 Ų18.128%0.289%0.089SC..Hα-helixtrans-61.9-40.1174.1-64.6-54.7149.800112.5Y86 M284 I285 A290 R291 A292Y86-E288 WeakPolarHBondContact CE2-OE1 3.09Å; Y86-E288 PolarHBondContact OH-OE1 2.76Å; M284-E288 PolarHBondContact O-N 2.81Å; I285-E288 WeakPolarHBondContact O-CB 3.43Å; I285-E288 PolarHBondContact O-N 3.37Å; I285-E288 VanDerWaalsContact O-N 3.14Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 3.43Å; E288-R291 PolarHBondContact O-N 2.92Å; E288-R291 IonicContact OE1-NH1 3.26Å; E288-R291 PolarHBondContact OE1-NH1 3.03Å; E288-R291 IonicContact OE2-NH1 2.71Å; E288-A292 WeakPolarHBondContact O-CB 3.23Å; E288-A292 PolarHBondContact O-N 2.72Å
289S98.5Very high95Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-54.5-47.4172.7-62.40000111.1I285 V286 G287 R291 L293 T381 T385 F414I285-S289 PolarHBondContact O-N 2.83Å; I285-S289 PolarHBondContact O-OG 3.19Å; V286-S289 WeakPolarHBondContact O-CB 3.34Å; V286-S289 PolarHBondContact O-N 3.2Å; G287-S289 VanDerWaalsContact C-N 3.35Å; G287-S289 PolarHBondContact O-N 3.24Å; S289-R291 PolarHBondContact O-N 3.1Å; S289-L293 VanDerWaalsContact O-CB 3.29Å; S289-L293 WeakPolarHBondContact O-CB 3.45Å; S289-L293 PolarHBondContact O-N 3.21Å; S289-T381 PolarHBondContact OG-OG1 3.42Å; S289-T385 WeakPolarHBondContact CB-OG1 3.39Å; S289-T385 WeakPolarHBondContact O-CG2 3.4Å; S289-T385 PolarHBondContact O-OG1 3.4Å; S289-F414 VanDerWaalsContact CA-CE2 3.48Å; S289-F414 WeakPolarHBondContact OG-CZ 3.32Å
290A98.3Very high95.8Very high3 Ų317 Ų173%0.0258%0.083CC..Hα-helixtrans-61.6-44.817700000112.4V286 G287 E288 S294 F341V286-A290 PolarHBondContact O-N 3.19Å; G287-A290 WeakPolarHBondContact O-CB 3.31Å; G287-A290 PolarHBondContact O-N 3.04Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 3.43Å; A290-S294 VanDerWaalsContact O-CB 3.27Å; A290-S294 WeakPolarHBondContact O-CB 3.4Å; A290-S294 PolarHBondContact O-N 2.74Å; A290-S294 PolarHBondContact O-OG 3.27Å; A290-F341 HydrophobicContact CB-CB 3.8Å
291R97.4Very high96.5Very high96 Ų9614.2 Ų14.236%0.3627%0.071SC..Hα-helixtrans-66-45.8-179.2-68.1175.5-168.41133.4112.3Y86 G287 E288 S289 L293 S294 K295Y86-R291 VanDerWaalsContact OH-CZ 3.26Å; Y86-R291 PolarHBondContact OH-NE 3.03Å; Y86-R291 PolarHBondContact OH-NH1 3.26Å; G287-R291 WeakPolarHBondContact O-CG 3.32Å; G287-R291 PolarHBondContact O-N 2.91Å; E288-R291 PolarHBondContact O-N 2.92Å; E288-R291 IonicContact OE1-NH1 3.26Å; E288-R291 PolarHBondContact OE1-NH1 3.03Å; E288-R291 IonicContact OE2-NH1 2.71Å; S289-R291 PolarHBondContact O-N 3.1Å; R291-L293 VanDerWaalsContact C-N 3.35Å; R291-S294 PolarHBondContact O-N 3.12Å; R291-K295 WeakPolarHBondContact O-CG 3.4Å; R291-K295 PolarHBondContact O-N 3.13Å
292A98.5Very high97Very high12 Ų1213.3 Ų13.310%0.0997%0.065CC..Hα-helixtrans-63.5-41.6178.600000111.6E288 S296 T385 I389 I410 F414E288-A292 WeakPolarHBondContact O-CB 3.23Å; E288-A292 PolarHBondContact O-N 2.72Å; A292-S296 WeakPolarHBondContact O-CB 3.19Å; A292-S296 PolarHBondContact O-N 3.07Å; A292-S296 VanDerWaalsContact O-N 3.09Å; A292-S296 PolarHBondContact O-OG 3.33Å; A292-T385 HydrophobicContact CB-CG2 4.22Å; A292-I389 HydrophobicContact CB-CD1 4.26Å; A292-I410 HydrophobicContact CB-CG2 4.25Å; A292-F414 HydrophobicContact CB-CB 4.3Å; A292-F414 HydrophobicContact CB-CD2 3.49Å; A292-F414 VanDerWaalsContact CB-CD2 3.49Å; A292-F414 HydrophobicContact CB-CE2 4.02Å; A292-F414 HydrophobicContact CB-CG 3.95Å
293L98.8Very high97.3Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-65.6-45.1175.3-172.450.6000111.8S289 R291 K295 S296 C297 L334 M337 A338 F341 T385 A388S289-L293 VanDerWaalsContact O-CB 3.29Å; S289-L293 WeakPolarHBondContact O-CB 3.45Å; S289-L293 PolarHBondContact O-N 3.21Å; R291-L293 VanDerWaalsContact C-N 3.35Å; L293-K295 PolarHBondContact O-N 3.25Å; L293-S296 PolarHBondContact O-N 3.33Å; L293-S296 VanDerWaalsContact O-N 3.12Å; L293-C297 WeakPolarHBondContact O-CB 3.5Å; L293-C297 PolarHBondContact O-N 3.07Å; L293-C297 PolarHBondContact O-SG 3.22Å; L293-L334 HydrophobicContact CD1-CB 4.39Å; L293-M337 HydrophobicContact CD1-CE 4.48Å; L293-M337 HydrophobicContact CD2-CB 4.01Å; L293-M337 HydrophobicContact CD2-CE 3.54Å; L293-M337 HydrophobicContact CD2-CG 3.75Å; L293-M337 HydrophobicContact CD2-SD 4.44Å; L293-A338 HydrophobicContact CB-CB 4.34Å; L293-A338 HydrophobicContact CD2-CB 4.09Å; L293-A338 HydrophobicContact CG-CB 3.87Å; L293-F341 HydrophobicContact CD2-CD2 4.27Å; L293-T385 HydrophobicContact CB-CG2 3.95Å; L293-A388 HydrophobicContact CD1-CB 3.44Å; L293-A388 VanDerWaalsContact CD1-CB 3.44Å
294S98.8Very high97.8Very high5 Ų513.1 Ų13.14%0.0356%0.064CC..Hα-helixtrans-60-44.1178.8-58.80000111.8A290 R291 S296 T298 F610A290-S294 VanDerWaalsContact O-CB 3.27Å; A290-S294 WeakPolarHBondContact O-CB 3.4Å; A290-S294 PolarHBondContact O-N 2.74Å; A290-S294 PolarHBondContact O-OG 3.27Å; R291-S294 PolarHBondContact O-N 3.12Å; S294-S296 PolarHBondContact O-N 3.14Å; S294-T298 VanDerWaalsContact O-CB 3.32Å; S294-T298 WeakPolarHBondContact O-CB 3.4Å; S294-T298 PolarHBondContact O-N 3.38Å; S294-T298 PolarHBondContact O-OG1 2.88Å; S294-F610 WeakPolarHBondContact OG-CE1 3.45Å; S294-F610 WeakPolarHBondContact OG-CZ 3.45Å
295K98.8Very high98.2Very high23 Ų2310.7 Ų10.710%0.15%0.051CC..Hα-helixtrans-58.4-47.3172.7-75.2-176.4-179.4-160.30111.6R291 L293 T298 I299 I410 I612 K616 L617R291-K295 WeakPolarHBondContact O-CG 3.4Å; R291-K295 PolarHBondContact O-N 3.13Å; L293-K295 PolarHBondContact O-N 3.25Å; K295-T298 WeakPolarHBondContact O-CB 3.39Å; K295-T298 PolarHBondContact O-N 2.89Å; K295-I299 WeakPolarHBondContact O-CD1 3.47Å; K295-I299 WeakPolarHBondContact O-CG1 3.49Å; K295-I299 PolarHBondContact O-N 3.09Å; K295-I410 HydrophobicContact CB-CD1 3.98Å; K295-I612 HydrophobicContact CG-CD1 3.88Å; K295-I612 HydrophobicContact CG-CG2 4.45Å; K295-K616 PolarHBondContact NZ-O 3.35Å; K295-L617 HydrophobicContact CB-CD1 3.93Å; K295-L617 HydrophobicContact CG-CD1 4.03Å
296S98.9Very high98.3Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-65-44.7-177.2-57.70000112.3A292 L293 S294 T298 I299 A300A292-S296 WeakPolarHBondContact O-CB 3.19Å; A292-S296 PolarHBondContact O-N 3.07Å; A292-S296 VanDerWaalsContact O-N 3.09Å; A292-S296 PolarHBondContact O-OG 3.33Å; L293-S296 PolarHBondContact O-N 3.33Å; L293-S296 VanDerWaalsContact O-N 3.12Å; S294-S296 PolarHBondContact O-N 3.14Å; S296-T298 VanDerWaalsContact C-N 3.34Å; S296-I299 PolarHBondContact O-N 2.77Å; S296-A300 WeakPolarHBondContact O-CB 3.25Å; S296-A300 PolarHBondContact O-N 3.37Å
297C98.9Very high98.4Very high0 Ų013.4 Ų13.40%06%0.062CC..Hα-helixtrans-62.5-41.2173.4-70.60000111.5L293 I299 A300 I301 L335 V607L293-C297 WeakPolarHBondContact O-CB 3.5Å; L293-C297 PolarHBondContact O-N 3.07Å; L293-C297 PolarHBondContact O-SG 3.22Å; C297-I299 PolarHBondContact O-N 3.39Å; C297-A300 PolarHBondContact O-N 3.43Å; C297-I301 HydrophobicContact CB-CD1 4.38Å; C297-I301 VanDerWaalsContact O-CB 3.22Å; C297-I301 WeakPolarHBondContact O-CB 3.41Å; C297-I301 VanDerWaalsContact O-CG1 3.29Å; C297-I301 WeakPolarHBondContact O-CG1 3.15Å; C297-I301 PolarHBondContact O-N 3.29Å; C297-L335 HydrophobicContact CB-CD1 4.4Å; C297-V607 HydrophobicContact CB-CG1 4.47Å
298T98.9Very high98.6Very high0 Ų015.6 Ų15.60%07%0.069CC..Hα-helixtrans-57.9-48.9177.1-59.60000111.3S294 K295 S296 R302 V607 L617S294-T298 VanDerWaalsContact O-CB 3.32Å; S294-T298 WeakPolarHBondContact O-CB 3.4Å; S294-T298 PolarHBondContact O-N 3.38Å; S294-T298 PolarHBondContact O-OG1 2.88Å; K295-T298 WeakPolarHBondContact O-CB 3.39Å; K295-T298 PolarHBondContact O-N 2.89Å; S296-T298 VanDerWaalsContact C-N 3.34Å; T298-R302 HydrophobicContact CG2-CG 4.44Å; T298-R302 VanDerWaalsContact O-CB 3.27Å; T298-R302 WeakPolarHBondContact O-CB 3.49Å; T298-R302 VanDerWaalsContact O-CG 3.26Å; T298-R302 WeakPolarHBondContact O-CG 3.47Å; T298-R302 PolarHBondContact O-N 3.3Å; T298-V607 HydrophobicContact CG2-CB 4.25Å; T298-V607 HydrophobicContact CG2-CG2 4.45Å; T298-L617 HydrophobicContact CG2-CD1 4.45Å; T298-L617 HydrophobicContact CG2-CD2 4.04Å
299I98.9Very high98.7Very high0 Ų016.6 Ų16.60%07%0.074CC..Hα-helixtrans-61.4-53.4178.2-64.7156.9000110.4K295 S296 C297 I301 Y303 S405 A406 L407 I410 L617 S619 L621K295-I299 WeakPolarHBondContact O-CD1 3.47Å; K295-I299 WeakPolarHBondContact O-CG1 3.49Å; K295-I299 PolarHBondContact O-N 3.09Å; S296-I299 PolarHBondContact O-N 2.77Å; C297-I299 PolarHBondContact O-N 3.39Å; I299-I301 PolarHBondContact O-N 3.21Å; I299-Y303 WeakPolarHBondContact O-CB 3.5Å; I299-Y303 PolarHBondContact O-N 2.89Å; I299-S405 WeakPolarHBondContact CD1-O 3.27Å; I299-A406 HydrophobicContact CD1-CB 4.18Å; I299-L407 HydrophobicContact CB-CD1 4.49Å; I299-L407 HydrophobicContact CB-CD2 4.37Å; I299-L407 HydrophobicContact CB-CG 4.46Å; I299-L407 HydrophobicContact CD1-CD2 4.1Å; I299-L407 HydrophobicContact CD1-CG 4.24Å; I299-L407 HydrophobicContact CG2-CD1 3.85Å; I299-L407 HydrophobicContact CG2-CG 4.09Å; I299-I410 HydrophobicContact CD1-CD1 3.6Å; I299-L617 HydrophobicContact CD1-CD1 3.9Å; I299-L617 HydrophobicContact CD1-CG 4.1Å; I299-L617 HydrophobicContact CG1-CD1 3.75Å; I299-L617 HydrophobicContact CG1-CD2 3.87Å; I299-L617 HydrophobicContact CG1-CG 3.77Å; I299-S619 WeakPolarHBondContact CG2-OG 3.49Å; I299-L621 HydrophobicContact CG2-CB 4.11Å
300A98.9Very high98.6Very high0 Ų019.9 Ų19.90%010%0.097CC..Hα-helixtrans-66.5-38.8-173.500000112.9S296 C297 S304 L331 C392S296-A300 WeakPolarHBondContact O-CB 3.25Å; S296-A300 PolarHBondContact O-N 3.37Å; C297-A300 PolarHBondContact O-N 3.43Å; A300-S304 WeakPolarHBondContact O-CB 3.2Å; A300-S304 PolarHBondContact O-N 3.46Å; A300-S304 PolarHBondContact O-OG 3.14Å; A300-L331 HydrophobicContact CB-CD1 4.23Å; A300-L331 HydrophobicContact CB-CD2 3.71Å; A300-C392 HydrophobicContact CB-CB 3.85Å
301I98.9Very high98.6Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-73.9-46.1-179.8-68.6173.9000110.9C297 I299 Y303 S304 A305 L322 L331 F332 L335 A603 V604 V607C297-I301 HydrophobicContact CB-CD1 4.38Å; C297-I301 VanDerWaalsContact O-CB 3.22Å; C297-I301 WeakPolarHBondContact O-CB 3.41Å; C297-I301 VanDerWaalsContact O-CG1 3.29Å; C297-I301 WeakPolarHBondContact O-CG1 3.15Å; C297-I301 PolarHBondContact O-N 3.29Å; I299-I301 PolarHBondContact O-N 3.21Å; I301-Y303 VanDerWaalsContact C-N 3.34Å; I301-Y303 PolarHBondContact O-N 2.87Å; I301-S304 PolarHBondContact O-N 2.97Å; I301-A305 PolarHBondContact O-N 3.25Å; I301-L322 HydrophobicContact CG2-CD2 4.46Å; I301-L331 HydrophobicContact CD1-CB 4.42Å; I301-L331 HydrophobicContact CG1-CB 4.07Å; I301-L331 HydrophobicContact CG1-CD1 3.96Å; I301-F332 HydrophobicContact CD1-CD1 4.41Å; I301-L335 HydrophobicContact CD1-CB 4.14Å; I301-L335 HydrophobicContact CD1-CD1 4.38Å; I301-L335 HydrophobicContact CD1-CD2 3.87Å; I301-L335 HydrophobicContact CD1-CG 4.37Å; I301-A603 HydrophobicContact CG2-CB 3.98Å; I301-V604 HydrophobicContact CG2-CG2 4.33Å; I301-V607 HydrophobicContact CB-CG1 4.16Å; I301-V607 HydrophobicContact CB-CG2 4.43Å; I301-V607 HydrophobicContact CD1-CG1 3.72Å; I301-V607 HydrophobicContact CG1-CG1 4.46Å; I301-V607 HydrophobicContact CG2-CG1 4.39Å; I301-V607 HydrophobicContact CG2-CG2 4.19Å
302R98.9Very high98.5Very high4 Ų425 Ų252%0.01513%0.126CC..Hα-helixtrans-59.9-45.8175.2-71.6-177.5176.6161.25.4111.2I5 T298 S304 A305 V306 V607 D608 D614 G622I5-R302 HydrophobicContact CD1-CB 4.05Å; I5-R302 HydrophobicContact CD1-CG 3.93Å; T298-R302 HydrophobicContact CG2-CG 4.44Å; T298-R302 VanDerWaalsContact O-CB 3.27Å; T298-R302 WeakPolarHBondContact O-CB 3.49Å; T298-R302 VanDerWaalsContact O-CG 3.26Å; T298-R302 WeakPolarHBondContact O-CG 3.47Å; T298-R302 PolarHBondContact O-N 3.3Å; R302-S304 VanDerWaalsContact C-N 3.32Å; R302-S304 PolarHBondContact O-N 3.09Å; R302-A305 PolarHBondContact O-N 2.94Å; R302-V306 PolarHBondContact O-N 3.3Å; R302-V607 HydrophobicContact CG-CG2 4.17Å; R302-D608 IonicContact CZ-OD1 2.61Å; R302-D608 VanDerWaalsContact CZ-OD1 3.26Å; R302-D608 IonicContact NE-OD1 2.85Å; R302-D608 PolarHBondContact NE-OD1 2.91Å; R302-D608 IonicContact NH2-OD1 3.73Å; R302-D608 PolarHBondContact NH2-OD1 3.15Å; R302-D614 IonicContact NH1-OD1 3.53Å; R302-G622 WeakPolarHBondContact CD-O 3.24Å; R302-G622 PolarHBondContact NH1-O 3.46Å
303Y98.9Very high98.4Very high5 Ų531.7 Ų31.72%0.0215%0.149CC..Hα-helixtrans-62-39.9175.9-178-108.8000112.1I299 I301 A305 V306 R307 C396 H399 L621 V628I299-Y303 WeakPolarHBondContact O-CB 3.5Å; I299-Y303 PolarHBondContact O-N 2.89Å; I301-Y303 VanDerWaalsContact C-N 3.34Å; I301-Y303 PolarHBondContact O-N 2.87Å; Y303-A305 VanDerWaalsContact C-N 3.26Å; Y303-A305 PolarHBondContact O-N 2.9Å; Y303-V306 PolarHBondContact O-N 3.18Å; Y303-V306 VanDerWaalsContact O-N 3.08Å; Y303-R307 HydrophobicContact CD1-CB 4.37Å; Y303-R307 HydrophobicContact CE1-CB 3.95Å; Y303-R307 HydrophobicContact CE1-CG 4.13Å; Y303-R307 HydrophobicContact CE2-CB 4.26Å; Y303-R307 VanDerWaalsContact O-CB 3.3Å; Y303-R307 WeakPolarHBondContact O-CB 3.34Å; Y303-R307 PolarHBondContact O-N 3.37Å; Y303-C396 HydrophobicContact CD1-CB 3.81Å; Y303-C396 HydrophobicContact CE1-CB 4.02Å; Y303-C396 WeakPolarHBondContact CE1-O 3.35Å; Y303-H399 AromaticContact CZ-ND1 3.77Å; Y303-H399 PolarHBondContact OH-ND1 3.42Å; Y303-L621 HydrophobicContact CD2-CB 3.86Å; Y303-L621 HydrophobicContact CD2-CD1 4.23Å; Y303-L621 HydrophobicContact CD2-CD2 4.04Å; Y303-L621 HydrophobicContact CD2-CG 4.25Å; Y303-L621 HydrophobicContact CE2-CD1 4.35Å; Y303-L621 HydrophobicContact CE2-CD2 3.94Å; Y303-L621 HydrophobicContact CG-CB 4.14Å; Y303-L621 HydrophobicContact CG-CD1 4.35Å; Y303-V628 HydrophobicContact CD2-CG1 4.14Å; Y303-V628 HydrophobicContact CD2-CG2 4.39Å; Y303-V628 HydrophobicContact CE2-CG1 4.03Å
304S98.9Very high98.2Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-65.9-27.4177.8-620000113.6A300 I301 R302 I321 L322 Q327 L331A300-S304 WeakPolarHBondContact O-CB 3.2Å; A300-S304 PolarHBondContact O-N 3.46Å; A300-S304 PolarHBondContact O-OG 3.14Å; I301-S304 PolarHBondContact O-N 2.97Å; R302-S304 VanDerWaalsContact C-N 3.32Å; R302-S304 PolarHBondContact O-N 3.09Å; S304-I321 WeakPolarHBondContact O-CG1 3.49Å; S304-I321 PolarHBondContact O-N 2.89Å; S304-L322 WeakPolarHBondContact O-CB 3.44Å; S304-L322 PolarHBondContact O-N 3.18Å; S304-Q327 PolarHBondContact OG-NE2 3.33Å; S304-L331 WeakPolarHBondContact OG-CD1 3.19Å
305A98.8Very high98Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-76.8-22.6172.800000113D4 E8 I301 R302 Y303 Q320 L322 V604D4-A305 WeakPolarHBondContact CB-O 3.2Å; E8-A305 HydrophobicContact CG-CB 3.89Å; I301-A305 PolarHBondContact O-N 3.25Å; R302-A305 PolarHBondContact O-N 2.94Å; Y303-A305 VanDerWaalsContact C-N 3.26Å; Y303-A305 PolarHBondContact O-N 2.9Å; A305-Q320 WeakPolarHBondContact O-CG 3.19Å; A305-Q320 PolarHBondContact O-NE2 3.48Å; A305-L322 HydrophobicContact CB-CD2 4.26Å; A305-V604 HydrophobicContact CB-CG2 3.89Å
306V98.7Very high97.9Very high4 Ų444.7 Ų44.72%0.02424%0.241CC..Hα-helixtrans-97.8-28.3179.4170.80000112.1I5 R302 Y303 H308 V628 Y629I5-V306 HydrophobicContact CB-CG2 4.28Å; R302-V306 PolarHBondContact O-N 3.3Å; Y303-V306 PolarHBondContact O-N 3.18Å; Y303-V306 VanDerWaalsContact O-N 3.08Å; V306-H308 PolarHBondContact O-N 2.76Å; V306-V628 HydrophobicContact CB-CG2 4.44Å; V306-V628 HydrophobicContact CG1-CB 4.35Å; V306-V628 HydrophobicContact CG1-CG2 4Å; V306-Y629 HydrophobicContact CG1-CE2 4.5Å
307R98.8Very high97.8Very high57 Ų5750.4 Ų50.422%0.21528%0.278CS..  trans-80.6118.1-177-179.558.2-178.4-165.24.6110.2Y303 Q320 I321 Y629Y303-R307 HydrophobicContact CD1-CB 4.37Å; Y303-R307 HydrophobicContact CE1-CB 3.95Å; Y303-R307 HydrophobicContact CE1-CG 4.13Å; Y303-R307 HydrophobicContact CE2-CB 4.26Å; Y303-R307 VanDerWaalsContact O-CB 3.3Å; Y303-R307 WeakPolarHBondContact O-CB 3.34Å; Y303-R307 PolarHBondContact O-N 3.37Å; R307-Q320 CarbonylContact O-C 3.48Å; R307-Q320 WeakPolarHBondContact O-CA 3.22Å; R307-I321 HydrophobicContact CB-CD1 3.86Å; R307-I321 HydrophobicContact CB-CG1 4.03Å; R307-I321 HydrophobicContact CG-CD1 3.9Å; R307-I321 HydrophobicContact CG-CG1 4.29Å; R307-I321 HydrophobicContact CG-CG2 4.01Å; R307-I321 PolarHBondContact O-N 2.9Å; R307-Y629 WeakPolarHBondContact CD-OH 3.32Å; R307-Y629 PolarHBondContact NH1-OH 3.05Å
308H98.6Very high97.8Very high58 Ų5854.8 Ų54.827%0.26930%0.299SS..BIsolated β-bridgetrans-97.8135.4167.4-70.3-134.2000109.1D4 V306 E318 P319 Q320D4-H308 IonicContact OD1-NE2 3.85Å; D4-H308 IonicContact OD2-NE2 3.79Å; D4-H308 PolarHBondContact OD2-NE2 3.25Å; V306-H308 PolarHBondContact O-N 2.76Å; H308-E318 HydrophobicContact CB-CB 4.15Å; H308-E318 PolarHBondContact ND1-O 2.82Å; H308-P319 VanDerWaalsContact CA-O 3.25Å; H308-P319 WeakPolarHBondContact CA-O 3.42Å; H308-Q320 VanDerWaalsContact NE2-CG 3.26Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.29Å
309Q98.3Very high97.8Very high82 Ų8255.8 Ų55.838%0.38331%0.306SS..  trans-163.3141.8176.3-1656916.900111.9E318 P319 I321 Y324Q309-E318 WeakPolarHBondContact CA-OE2 3.31Å; Q309-P319 PolarHBondContact N-O 3.17Å; Q309-I321 HydrophobicContact CB-CG2 3.74Å; Q309-Y324 PolarHBondContact O-OH 2.91Å
310S97.6Very high97.8Very high69 Ų6956.2 Ų56.248%0.48331%0.308SS..SBendtrans66.4-162.2175.3-52.70000111.8E318 P319 Y324S310-E318 PolarHBondContact N-OE2 2.64Å; S310-E318 VanDerWaalsContact O-CA 3.31Å; S310-E318 WeakPolarHBondContact O-CA 3.17Å; S310-E318 WeakPolarHBondContact O-CB 3.49Å; S310-E318 WeakPolarHBondContact O-CG 3.42Å; S310-P319 VanDerWaalsContact O-CD 3.23Å; S310-P319 WeakPolarHBondContact O-CD 3.33Å; S310-Y324 WeakPolarHBondContact CB-OH 3.34Å
311E96.6Very high97.8Very high115 Ų11557.3 Ų57.354%0.53731%0.313SS..  trans-135146.7-177-61.4178.7-172.700110.5Y324E311-Y324 PolarHBondContact N-OH 3.17Å; E311-Y324 VanDerWaalsContact N-OH 3.13Å; E311-Y324 PolarHBondContact O-OH 3.03Å; E311-Y324 VanDerWaalsContact O-OH 3.07Å
312I96Very high97.7Very high92 Ų9257.3 Ų57.347%0.47231%0.313SS..SBendtrans-98.9-44.2165.7-69.4167.6000109.4P319 D323 Y324I312-P319 HydrophobicContact CB-CG 4.46Å; I312-P319 HydrophobicContact CD1-CB 4.06Å; I312-P319 HydrophobicContact CD1-CG 3.76Å; I312-P319 HydrophobicContact CG1-CG 3.81Å; I312-D323 HydrophobicContact CD1-CB 3.97Å; I312-Y324 HydrophobicContact CD1-CD1 4.29Å; I312-Y324 HydrophobicContact CD1-CE1 4.1Å; I312-Y324 HydrophobicContact CG1-CD1 3.91Å; I312-Y324 HydrophobicContact CG1-CE1 3.34Å
313R96.3Very high97.7Very high152 Ų15259.8 Ų59.857%0.57433%0.327SS*.SBendtrans-120.2126.1177.9-68173-175.7173.84.7108.6G315 E316R313-G315 PolarHBondContact O-N 3.48Å; R313-E316 HydrophobicContact CB-CB 4.4Å; R313-E316 HydrophobicContact CB-CG 4.04Å; R313-E316 VanDerWaalsContact CD-CD 3.45Å; R313-E316 WeakPolarHBondContact CD-OE1 3.25Å; R313-E316 WeakPolarHBondContact CD-OE2 3.4Å; R313-E316 IonicContact CZ-OE1 3.7Å; R313-E316 IonicContact NH1-OE1 2.95Å; R313-E316 PolarHBondContact NH1-OE1 2.95Å; R313-E316 VanDerWaalsContact NH1-OE1 3.13Å; R313-E316 PolarHBondContact O-N 3.28Å
314P95.6Very high97.7Very high125 Ų12562 Ų6281%0.81234%0.335SS*.THydrogen-bonded Turntrans-56130.1179.3-26.534.8000112E316P314-E316 VanDerWaalsContact C-N 3.35Å
315G94.3Very high97.7Very high79 Ų7966.5 Ų66.581%0.81436%0.356SS*.THydrogen-bonded Turntrans83.8-2.4177.300000116R313R313-G315 PolarHBondContact O-N 3.48Å
316E96.5Very high97.7Very high96 Ų9671.2 Ų71.245%0.44939%0.385SS..SBendtrans-84.5156164.9-68.7-174.4-174.500110.3R313 P314R313-E316 HydrophobicContact CB-CB 4.4Å; R313-E316 HydrophobicContact CB-CG 4.04Å; R313-E316 VanDerWaalsContact CD-CD 3.45Å; R313-E316 WeakPolarHBondContact CD-OE1 3.25Å; R313-E316 WeakPolarHBondContact CD-OE2 3.4Å; R313-E316 IonicContact CZ-OE1 3.7Å; R313-E316 IonicContact NH1-OE1 2.95Å; R313-E316 PolarHBondContact NH1-OE1 2.95Å; R313-E316 VanDerWaalsContact NH1-OE1 3.13Å; R313-E316 PolarHBondContact O-N 3.28Å; P314-E316 VanDerWaalsContact C-N 3.35Å
317P96.9Very high97.7Very high120 Ų12071.7 Ų71.778%0.77939%0.387SS*.PPolyproline II helixtrans-56.1151.3173-23.934.2000112.2
318E98.3Very high97.7Very high93 Ų9369.6 Ų69.644%0.43538%0.38SS..PPolyproline II helixtrans-54.2125176.5-60.4-171.4-10600109.7H308 Q309 S310H308-E318 HydrophobicContact CB-CB 4.15Å; H308-E318 PolarHBondContact ND1-O 2.82Å; Q309-E318 WeakPolarHBondContact CA-OE2 3.31Å; S310-E318 PolarHBondContact N-OE2 2.64Å; S310-E318 VanDerWaalsContact O-CA 3.31Å; S310-E318 WeakPolarHBondContact O-CA 3.17Å; S310-E318 WeakPolarHBondContact O-CB 3.49Å; S310-E318 WeakPolarHBondContact O-CG 3.42Å
319P98.3Very high97.7Very high21 Ų2171.4 Ų71.414%0.13639%0.385CS..PPolyproline II helixtrans-80.1165.7-177.732.1-32000110.9H308 Q309 S310 I312 I321 D323 Y324H308-P319 VanDerWaalsContact CA-O 3.25Å; H308-P319 WeakPolarHBondContact CA-O 3.42Å; Q309-P319 PolarHBondContact N-O 3.17Å; S310-P319 VanDerWaalsContact O-CD 3.23Å; S310-P319 WeakPolarHBondContact O-CD 3.33Å; I312-P319 HydrophobicContact CB-CG 4.46Å; I312-P319 HydrophobicContact CD1-CB 4.06Å; I312-P319 HydrophobicContact CD1-CG 3.76Å; I312-P319 HydrophobicContact CG1-CG 3.81Å; P319-I321 PolarHBondContact O-N 3.22Å; P319-D323 HydrophobicContact CB-CB 4.41Å; P319-Y324 HydrophobicContact CG-CE2 4.15Å
320Q98.8Very high97.7Very high9 Ų972 Ų724%0.04239%0.386CS..BIsolated β-bridgetrans-59.2136.9168.3-65.6165-76.700108.3E8 A305 R307 H308 L322 D323E8-Q320 PolarHBondContact OE1-NE2 3.32Å; E8-Q320 PolarHBondContact OE1-OE1 3.45Å; E8-Q320 VanDerWaalsContact OE1-OE1 3.12Å; A305-Q320 WeakPolarHBondContact O-CG 3.19Å; A305-Q320 PolarHBondContact O-NE2 3.48Å; R307-Q320 CarbonylContact O-C 3.48Å; R307-Q320 WeakPolarHBondContact O-CA 3.22Å; H308-Q320 VanDerWaalsContact NE2-CG 3.26Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.29Å; Q320-L322 PolarHBondContact O-N 3.4Å; Q320-D323 VanDerWaalsContact O-CB 3.31Å; Q320-D323 WeakPolarHBondContact O-CB 3.44Å; Q320-D323 PolarHBondContact O-N 3.23Å
321I98.9Very high97.8Very high22 Ų2268.7 Ų68.711%0.11336%0.363CS..G310 helixtrans-63-21.2179.563.8172.8000111.9S304 R307 Q309 P319 D323 Y324 Q327S304-I321 WeakPolarHBondContact O-CG1 3.49Å; S304-I321 PolarHBondContact O-N 2.89Å; R307-I321 HydrophobicContact CB-CD1 3.86Å; R307-I321 HydrophobicContact CB-CG1 4.03Å; R307-I321 HydrophobicContact CG-CD1 3.9Å; R307-I321 HydrophobicContact CG-CG1 4.29Å; R307-I321 HydrophobicContact CG-CG2 4.01Å; R307-I321 PolarHBondContact O-N 2.9Å; Q309-I321 HydrophobicContact CB-CG2 3.74Å; P319-I321 PolarHBondContact O-N 3.22Å; I321-D323 PolarHBondContact O-N 3.14Å; I321-Y324 HydrophobicContact CB-CD2 4.42Å; I321-Y324 WeakPolarHBondContact O-CD2 3.42Å; I321-Y324 PolarHBondContact O-N 3.36Å; I321-Q327 WeakPolarHBondContact O-CB 3.3Å; I321-Q327 WeakPolarHBondContact O-CG 3.42Å
322L98.8Very high97.9Very high0 Ų063.2 Ų63.20%034%0.338CS..G310 helixtrans-65.3-14.7172.7-163.559.5000113.7I301 S304 A305 Q320 Y324 Q328 F332 R600 A603I301-L322 HydrophobicContact CG2-CD2 4.46Å; S304-L322 WeakPolarHBondContact O-CB 3.44Å; S304-L322 PolarHBondContact O-N 3.18Å; A305-L322 HydrophobicContact CB-CD2 4.26Å; Q320-L322 PolarHBondContact O-N 3.4Å; L322-Y324 VanDerWaalsContact C-N 3.34Å; L322-Q328 WeakPolarHBondContact O-CG 3.45Å; L322-Q328 PolarHBondContact O-NE2 2.87Å; L322-F332 HydrophobicContact CD1-CE1 3.81Å; L322-F332 HydrophobicContact CD1-CZ 3.89Å; L322-F332 HydrophobicContact CG-CZ 4.37Å; L322-R600 WeakPolarHBondContact O-CD 3.32Å; L322-R600 PolarHBondContact O-NE 3.09Å; L322-A603 HydrophobicContact CD2-CB 4.41Å
323D98.6Very high98.1Very high57 Ų5759 Ų5931%0.30532%0.316SS..G310 helixtrans-78.9-19.5177.5-62.8-21.2000112.6I312 P319 Q320 I321 Q325 R600I312-D323 HydrophobicContact CD1-CB 3.97Å; P319-D323 HydrophobicContact CB-CB 4.41Å; Q320-D323 VanDerWaalsContact O-CB 3.31Å; Q320-D323 WeakPolarHBondContact O-CB 3.44Å; Q320-D323 PolarHBondContact O-N 3.23Å; I321-D323 PolarHBondContact O-N 3.14Å; D323-Q325 PolarHBondContact O-N 3.29Å; D323-R600 IonicContact OD1-CZ 3.41Å; D323-R600 VanDerWaalsContact OD1-CZ 3.3Å; D323-R600 IonicContact OD1-NE 3.16Å; D323-R600 PolarHBondContact OD1-NE 2.63Å; D323-R600 VanDerWaalsContact OD1-NE 3.1Å; D323-R600 IonicContact OD1-NH2 2.77Å; D323-R600 PolarHBondContact OD1-NH2 2.93Å
324Y98.8Very high98.2Very high52 Ų5252.7 Ų52.720%0.20429%0.294CS..SBendtrans-72.9127.6175.1-65.8-73.7000111.3Q309 S310 E311 I312 P319 I321 L322 T326 Q327 Q328Q309-Y324 PolarHBondContact O-OH 2.91Å; S310-Y324 WeakPolarHBondContact CB-OH 3.34Å; E311-Y324 PolarHBondContact N-OH 3.17Å; E311-Y324 VanDerWaalsContact N-OH 3.13Å; E311-Y324 PolarHBondContact O-OH 3.03Å; E311-Y324 VanDerWaalsContact O-OH 3.07Å; I312-Y324 HydrophobicContact CD1-CD1 4.29Å; I312-Y324 HydrophobicContact CD1-CE1 4.1Å; I312-Y324 HydrophobicContact CG1-CD1 3.91Å; I312-Y324 HydrophobicContact CG1-CE1 3.34Å; P319-Y324 HydrophobicContact CG-CE2 4.15Å; I321-Y324 HydrophobicContact CB-CD2 4.42Å; I321-Y324 WeakPolarHBondContact O-CD2 3.42Å; I321-Y324 PolarHBondContact O-N 3.36Å; L322-Y324 VanDerWaalsContact C-N 3.34Å; Y324-T326 PolarHBondContact O-N 3.05Å; Y324-T326 VanDerWaalsContact O-N 3.1Å; Y324-Q327 WeakPolarHBondContact O-CB 3.39Å; Y324-Q327 PolarHBondContact O-N 2.92Å; Y324-Q328 PolarHBondContact O-N 3.33Å; Y324-Q328 VanDerWaalsContact O-N 3.07Å
325Q98.4Very high98.3Very high94 Ų9446.8 Ų46.844%0.43926%0.255SS..Hα-helixtrans-55.4-32.3176.9-175.1175.593.600112.4D323 Q328 Y329 L596D323-Q325 PolarHBondContact O-N 3.29Å; Q325-Q328 PolarHBondContact O-N 3.43Å; Q325-Y329 VanDerWaalsContact O-CB 3.26Å; Q325-Y329 WeakPolarHBondContact O-CB 3.42Å; Q325-Y329 PolarHBondContact O-N 3.15Å; Q325-L596 HydrophobicContact CG-CD1 4.22Å
326T98.6Very high98.6Very high98 Ų9843 Ų4360%0.60122%0.216SC*.Hα-helixtrans-68.4-35.7176.4510000112.6Y324 K330Y324-T326 PolarHBondContact O-N 3.05Å; Y324-T326 VanDerWaalsContact O-N 3.1Å; T326-K330 VanDerWaalsContact O-CG 3.27Å; T326-K330 WeakPolarHBondContact O-CG 3.29Å; T326-K330 PolarHBondContact O-N 2.96Å; T326-K330 VanDerWaalsContact O-N 3.1Å
327Q98.9Very high98.7Very high15 Ų1538.8 Ų38.87%0.0720%0.197CC..Hα-helixtrans-70.5-42.7174.8-168.672.3-800110.8S304 I321 Y324 Y329 K330 L331 S395S304-Q327 PolarHBondContact OG-NE2 3.33Å; I321-Q327 WeakPolarHBondContact O-CB 3.3Å; I321-Q327 WeakPolarHBondContact O-CG 3.42Å; Y324-Q327 WeakPolarHBondContact O-CB 3.39Å; Y324-Q327 PolarHBondContact O-N 2.92Å; Q327-Y329 PolarHBondContact O-N 3.43Å; Q327-K330 PolarHBondContact O-N 2.88Å; Q327-L331 HydrophobicContact CG-CD1 4.15Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.14Å; Q327-L331 VanDerWaalsContact O-N 3.09Å; Q327-S395 PolarHBondContact NE2-O 3.43Å
328Q98.9Very high98.8Very high13 Ų1333 Ų336%0.06116%0.16CC..Hα-helixtrans-60.7-45.5174.6-62.4175.913.100111.5L322 Y324 Q325 K330 L331 F332 L596L322-Q328 WeakPolarHBondContact O-CG 3.45Å; L322-Q328 PolarHBondContact O-NE2 2.87Å; Y324-Q328 PolarHBondContact O-N 3.33Å; Y324-Q328 VanDerWaalsContact O-N 3.07Å; Q325-Q328 PolarHBondContact O-N 3.43Å; Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 3.45Å; Q328-L331 PolarHBondContact O-N 2.74Å; Q328-F332 HydrophobicContact CB-CD2 3.79Å; Q328-F332 HydrophobicContact CB-CE2 3.61Å; Q328-F332 HydrophobicContact CB-CG 4.47Å; Q328-F332 HydrophobicContact CB-CZ 4.16Å; Q328-F332 HydrophobicContact CG-CD2 4.26Å; Q328-F332 HydrophobicContact CG-CE2 3.55Å; Q328-F332 HydrophobicContact CG-CZ 3.82Å; Q328-F332 WeakPolarHBondContact O-CB 3.38Å; Q328-F332 WeakPolarHBondContact O-CG 2.9Å; Q328-F332 PolarHBondContact O-N 3.26Å; Q328-L596 HydrophobicContact CB-CB 4.21Å; Q328-L596 HydrophobicContact CB-CD1 4.17Å; Q328-L596 HydrophobicContact CB-CD2 4.36Å; Q328-L596 HydrophobicContact CB-CG 4.48Å
329Y98.8Very high98.8Very high96 Ų9628.6 Ų28.638%0.37614%0.139SC..Hα-helixtrans-64.9-30.3178.1-172.8-101.9000112.8Q325 Q327 P333 I592 L596Q325-Y329 VanDerWaalsContact O-CB 3.26Å; Q325-Y329 WeakPolarHBondContact O-CB 3.42Å; Q325-Y329 PolarHBondContact O-N 3.15Å; Q327-Y329 PolarHBondContact O-N 3.43Å; Y329-P333 VanDerWaalsContact O-CD 3.22Å; Y329-P333 WeakPolarHBondContact O-CD 3.25Å; Y329-P333 VanDerWaalsContact O-CG 3.31Å; Y329-P333 WeakPolarHBondContact O-CG 3.42Å; Y329-I592 HydrophobicContact CD2-CG2 4.06Å; Y329-I592 HydrophobicContact CE2-CG2 3.95Å; Y329-L596 HydrophobicContact CD2-CD1 4.11Å; Y329-L596 HydrophobicContact CG-CD1 4.5Å
330K98.8Very high98.8Very high94 Ų9427.6 Ų27.641%0.40913%0.132SC..Hα-helixtrans-69.7-41.1172.2-75.2171.9-175.3178.20112.2T326 Q327 Q328 L334 V391T326-K330 VanDerWaalsContact O-CG 3.27Å; T326-K330 WeakPolarHBondContact O-CG 3.29Å; T326-K330 PolarHBondContact O-N 2.96Å; T326-K330 VanDerWaalsContact O-N 3.1Å; Q327-K330 PolarHBondContact O-N 2.88Å; Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 3.45Å; K330-L334 WeakPolarHBondContact O-CD1 3.41Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.37Å; K330-V391 HydrophobicContact CB-CG1 4.05Å; K330-V391 HydrophobicContact CG-CG1 4.38Å
331L98.9Very high98.8Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-100.7-40.4-165.6-63.3179.7000114.5A300 I301 S304 Q327 Q328 L334 L335A300-L331 HydrophobicContact CB-CD1 4.23Å; A300-L331 HydrophobicContact CB-CD2 3.71Å; I301-L331 HydrophobicContact CD1-CB 4.42Å; I301-L331 HydrophobicContact CG1-CB 4.07Å; I301-L331 HydrophobicContact CG1-CD1 3.96Å; S304-L331 WeakPolarHBondContact OG-CD1 3.19Å; Q327-L331 HydrophobicContact CG-CD1 4.15Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.14Å; Q327-L331 VanDerWaalsContact O-N 3.09Å; Q328-L331 PolarHBondContact O-N 2.74Å; L331-L334 WeakPolarHBondContact O-CB 3.25Å; L331-L334 PolarHBondContact O-N 3.14Å; L331-L334 VanDerWaalsContact O-N 3.12Å; L331-L335 PolarHBondContact O-N 3.11Å
332F98.9Very high98.8Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-70.9-35.2-172.6-60.3-12.8000114.1I301 L322 Q328 L334 L335 S336 L561 L596 L599 R600 A603I301-F332 HydrophobicContact CD1-CD1 4.41Å; L322-F332 HydrophobicContact CD1-CE1 3.81Å; L322-F332 HydrophobicContact CD1-CZ 3.89Å; L322-F332 HydrophobicContact CG-CZ 4.37Å; Q328-F332 HydrophobicContact CB-CD2 3.79Å; Q328-F332 HydrophobicContact CB-CE2 3.61Å; Q328-F332 HydrophobicContact CB-CG 4.47Å; Q328-F332 HydrophobicContact CB-CZ 4.16Å; Q328-F332 HydrophobicContact CG-CD2 4.26Å; Q328-F332 HydrophobicContact CG-CE2 3.55Å; Q328-F332 HydrophobicContact CG-CZ 3.82Å; Q328-F332 WeakPolarHBondContact O-CB 3.38Å; Q328-F332 WeakPolarHBondContact O-CG 2.9Å; Q328-F332 PolarHBondContact O-N 3.26Å; F332-L334 PolarHBondContact O-N 3.41Å; F332-L335 WeakPolarHBondContact O-CB 3.12Å; F332-L335 PolarHBondContact O-N 3Å; F332-S336 PolarHBondContact O-N 3.14Å; F332-S336 PolarHBondContact O-OG 3.42Å; F332-L561 HydrophobicContact CB-CD2 3.82Å; F332-L596 HydrophobicContact CB-CD2 3.74Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.8Å; F332-L596 WeakPolarHBondContact CE2-O 3.41Å; F332-L596 HydrophobicContact CG-CD2 4.22Å; F332-L599 HydrophobicContact CB-CD1 4.37Å; F332-L599 HydrophobicContact CD2-CB 4.02Å; F332-L599 HydrophobicContact CE2-CB 4.34Å; F332-R600 HydrophobicContact CE2-CB 3.99Å; F332-R600 HydrophobicContact CZ-CB 4.27Å; F332-A603 HydrophobicContact CD1-CB 4.38Å; F332-A603 HydrophobicContact CE1-CB 3.47Å; F332-A603 VanDerWaalsContact CE1-CB 3.47Å; F332-A603 HydrophobicContact CZ-CB 3.68Å
333P98.9Very high98.8Very high3 Ų327.5 Ų27.52%0.01913%0.133CC..Hα-helixtrans-63.1-29.6169.1-24.736.5000113.2Y329 S336 M337 L561 H565Y329-P333 VanDerWaalsContact O-CD 3.22Å; Y329-P333 WeakPolarHBondContact O-CD 3.25Å; Y329-P333 VanDerWaalsContact O-CG 3.31Å; Y329-P333 WeakPolarHBondContact O-CG 3.42Å; P333-S336 WeakPolarHBondContact CA-OG 3.16Å; P333-S336 PolarHBondContact O-OG 2.88Å; P333-M337 WeakPolarHBondContact O-CB 3.34Å; P333-M337 PolarHBondContact O-N 3.19Å; P333-M337 VanDerWaalsContact O-N 3.13Å; P333-L561 HydrophobicContact CG-CD1 4.4Å; P333-L561 HydrophobicContact CG-CD2 4.34Å; P333-L561 HydrophobicContact CG-CG 4.48Å; P333-H565 HydrophobicContact CB-CB 4.3Å
334L98.9Very high98.8Very high20 Ų2024.8 Ų24.811%0.10512%0.119CC..Hα-helixtrans-76.1-36.5175.7-53.8-177.6000111.2L293 K330 L331 F332 M337 A338 A388 V391L293-L334 HydrophobicContact CD1-CB 4.39Å; K330-L334 WeakPolarHBondContact O-CD1 3.41Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.37Å; L331-L334 WeakPolarHBondContact O-CB 3.25Å; L331-L334 PolarHBondContact O-N 3.14Å; L331-L334 VanDerWaalsContact O-N 3.12Å; F332-L334 PolarHBondContact O-N 3.41Å; L334-M337 HydrophobicContact CD2-CE 3.84Å; L334-M337 WeakPolarHBondContact O-CB 3.08Å; L334-M337 PolarHBondContact O-N 3Å; L334-A338 PolarHBondContact O-N 3.39Å; L334-A388 HydrophobicContact CD1-CB 4.02Å; L334-A388 HydrophobicContact CD2-CB 3.65Å; L334-A388 HydrophobicContact CG-CB 4.27Å; L334-V391 HydrophobicContact CD1-CB 3.79Å; L334-V391 HydrophobicContact CD1-CG1 3.7Å
335L98.9Very high98.7Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-61.9-45.7172.1-18061.9000111.2C297 I301 L331 F332 M337 A338 Y339 L558 L606 V607 F610C297-L335 HydrophobicContact CB-CD1 4.4Å; I301-L335 HydrophobicContact CD1-CB 4.14Å; I301-L335 HydrophobicContact CD1-CD1 4.38Å; I301-L335 HydrophobicContact CD1-CD2 3.87Å; I301-L335 HydrophobicContact CD1-CG 4.37Å; L331-L335 PolarHBondContact O-N 3.11Å; F332-L335 WeakPolarHBondContact O-CB 3.12Å; F332-L335 PolarHBondContact O-N 3Å; L335-M337 VanDerWaalsContact C-N 3.27Å; L335-M337 PolarHBondContact O-N 3.45Å; L335-A338 WeakPolarHBondContact O-CB 3.31Å; L335-A338 PolarHBondContact O-N 3.39Å; L335-A338 VanDerWaalsContact O-N 3.15Å; L335-Y339 HydrophobicContact CD1-CD2 4.24Å; L335-Y339 HydrophobicContact CD1-CE2 3.95Å; L335-Y339 HydrophobicContact CG-CE2 4.46Å; L335-Y339 WeakPolarHBondContact O-CD2 3.43Å; L335-Y339 PolarHBondContact O-N 2.74Å; L335-L558 HydrophobicContact CD2-CD2 4.45Å; L335-L558 HydrophobicContact CG-CD2 4.34Å; L335-L606 HydrophobicContact CD2-CB 3.88Å; L335-L606 HydrophobicContact CD2-CD1 3.91Å; L335-V607 HydrophobicContact CD1-CG1 3.71Å; L335-F610 HydrophobicContact CD1-CE2 3.83Å; L335-F610 HydrophobicContact CD1-CZ 4.19Å
336S98.9Very high98.5Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-63-36.7176.164.10000112.1F332 P333 Y339 A340 L558F332-S336 PolarHBondContact O-N 3.14Å; F332-S336 PolarHBondContact O-OG 3.42Å; P333-S336 WeakPolarHBondContact CA-OG 3.16Å; P333-S336 PolarHBondContact O-OG 2.88Å; S336-Y339 PolarHBondContact O-N 3.1Å; S336-A340 WeakPolarHBondContact O-CB 3.14Å; S336-A340 PolarHBondContact O-N 3Å; S336-L558 WeakPolarHBondContact CB-O 3.09Å
337M98.9Very high98.4Very high7 Ų717.9 Ų17.93%0.0348%0.081CC..Hα-helixtrans-64.4-37.4172.7-176.116572.600113.1L293 P333 L334 L335 Y339 A340 F341 E384 A388 Y562L293-M337 HydrophobicContact CD1-CE 4.48Å; L293-M337 HydrophobicContact CD2-CB 4.01Å; L293-M337 HydrophobicContact CD2-CE 3.54Å; L293-M337 HydrophobicContact CD2-CG 3.75Å; L293-M337 HydrophobicContact CD2-SD 4.44Å; P333-M337 WeakPolarHBondContact O-CB 3.34Å; P333-M337 PolarHBondContact O-N 3.19Å; P333-M337 VanDerWaalsContact O-N 3.13Å; L334-M337 HydrophobicContact CD2-CE 3.84Å; L334-M337 WeakPolarHBondContact O-CB 3.08Å; L334-M337 PolarHBondContact O-N 3Å; L335-M337 VanDerWaalsContact C-N 3.27Å; L335-M337 PolarHBondContact O-N 3.45Å; M337-Y339 VanDerWaalsContact C-N 3.35Å; M337-Y339 PolarHBondContact O-N 3.43Å; M337-A340 PolarHBondContact O-N 3.36Å; M337-F341 HydrophobicContact CE-CE2 4.5Å; M337-F341 HydrophobicContact CG-CD1 4.21Å; M337-F341 HydrophobicContact CG-CD2 3.97Å; M337-F341 HydrophobicContact CG-CE1 3.82Å; M337-F341 HydrophobicContact CG-CE2 3.56Å; M337-F341 HydrophobicContact CG-CG 4.28Å; M337-F341 HydrophobicContact CG-CZ 3.48Å; M337-F341 VanDerWaalsContact CG-CZ 3.48Å; M337-F341 WeakPolarHBondContact O-CB 3.41Å; M337-F341 WeakPolarHBondContact O-CG 3.39Å; M337-F341 PolarHBondContact O-N 2.99Å; M337-F341 HydrophobicContact SD-CE1 4.43Å; M337-F341 HydrophobicContact SD-CE2 3.86Å; M337-F341 HydrophobicContact SD-CZ 3.65Å; M337-E384 HydrophobicContact CE-CB 4.17Å; M337-E384 HydrophobicContact SD-CB 3.73Å; M337-E384 HydrophobicContact SD-CG 4.36Å; M337-A388 HydrophobicContact CE-CB 3.55Å; M337-Y562 HydrophobicContact CB-CD2 3.96Å; M337-Y562 HydrophobicContact CB-CE2 3.88Å; M337-Y562 HydrophobicContact CG-CD2 4.47Å; M337-Y562 HydrophobicContact CG-CE2 3.88Å; M337-Y562 HydrophobicContact SD-CE2 4.38Å
338A98.9Very high98.1Very high0 Ų017.1 Ų17.10%08%0.077CC..Hα-helixtrans-59.1-44.8175.400000112L293 L334 L335 T342 F610L293-A338 HydrophobicContact CB-CB 4.34Å; L293-A338 HydrophobicContact CD2-CB 4.09Å; L293-A338 HydrophobicContact CG-CB 3.87Å; L334-A338 PolarHBondContact O-N 3.39Å; L335-A338 WeakPolarHBondContact O-CB 3.31Å; L335-A338 PolarHBondContact O-N 3.39Å; L335-A338 VanDerWaalsContact O-N 3.15Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 3.5Å; A338-T342 PolarHBondContact O-OG1 3.01Å; A338-F610 HydrophobicContact CB-CZ 3.93Å
339Y98.9Very high97.8Very high0 Ų019 Ų190%09%0.089CC..Hα-helixtrans-65.8-44.9174.4-84-91.2000112L19 L23 L335 S336 M337 F341 T342 F343 L555 L558 L606 F610L19-Y339 HydrophobicContact CD1-CE1 4.15Å; L19-Y339 HydrophobicContact CD2-CE1 3.98Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.41Å; L19-Y339 HydrophobicContact CG-CE1 4.3Å; L23-Y339 HydrophobicContact CD1-CE1 3.99Å; L23-Y339 HydrophobicContact CD2-CD1 3.98Å; L23-Y339 HydrophobicContact CD2-CE1 3.82Å; L23-Y339 HydrophobicContact CG-CE1 4.39Å; L335-Y339 HydrophobicContact CD1-CD2 4.24Å; L335-Y339 HydrophobicContact CD1-CE2 3.95Å; L335-Y339 HydrophobicContact CG-CE2 4.46Å; L335-Y339 WeakPolarHBondContact O-CD2 3.43Å; L335-Y339 PolarHBondContact O-N 2.74Å; S336-Y339 PolarHBondContact O-N 3.1Å; M337-Y339 VanDerWaalsContact C-N 3.35Å; M337-Y339 PolarHBondContact O-N 3.43Å; Y339-F341 VanDerWaalsContact C-N 3.34Å; Y339-F341 PolarHBondContact O-N 3.24Å; Y339-T342 WeakPolarHBondContact O-CB 3.39Å; Y339-T342 PolarHBondContact O-N 3.3Å; Y339-F343 HydrophobicContact CD1-CE2 4.44Å; Y339-F343 HydrophobicContact CD1-CZ 4.31Å; Y339-F343 VanDerWaalsContact O-CD2 3.26Å; Y339-F343 WeakPolarHBondContact O-CD2 3.09Å; Y339-F343 PolarHBondContact O-N 2.91Å; Y339-F343 VanDerWaalsContact O-N 3.1Å; Y339-L555 HydrophobicContact CD1-CD2 3.65Å; Y339-L555 HydrophobicContact CE1-CD2 3.82Å; Y339-L555 HydrophobicContact CG-CD2 4.38Å; Y339-L558 HydrophobicContact CD2-CD1 3.69Å; Y339-L558 HydrophobicContact CE2-CD1 4.04Å; Y339-L558 HydrophobicContact CG-CD1 3.98Å; Y339-L606 HydrophobicContact CE2-CB 4.4Å; Y339-L606 HydrophobicContact CE2-CD2 4.27Å; Y339-L606 PolarHBondContact OH-O 3.29Å; Y339-F610 HydrophobicContact CD2-CE1 4.16Å; Y339-F610 AromaticContact CD2-CZ 3.65Å; Y339-F610 HydrophobicContact CD2-CZ 3.65Å; Y339-F610 HydrophobicContact CE1-CE1 4.34Å; Y339-F610 AromaticContact CE2-CE1 3.82Å; Y339-F610 HydrophobicContact CE2-CE1 3.82Å; Y339-F610 AromaticContact CE2-CE2 3.98Å; Y339-F610 HydrophobicContact CE2-CE2 3.98Å; Y339-F610 AromaticContact CE2-CZ 3.31Å; Y339-F610 HydrophobicContact CE2-CZ 3.31Å; Y339-F610 HydrophobicContact CG-CZ 4.43Å; Y339-F610 AromaticContact CZ-CE1 3.91Å; Y339-F610 AromaticContact CZ-CZ 3.86Å
340A98.8Very high97.4Very high0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-57.6-46.9177.400000111.5S336 M337 T342 F343 V344 V535 F539 Y562S336-A340 WeakPolarHBondContact O-CB 3.14Å; S336-A340 PolarHBondContact O-N 3Å; M337-A340 PolarHBondContact O-N 3.36Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 3.24Å; A340-F343 PolarHBondContact O-N 3.1Å; A340-V344 VanDerWaalsContact O-CG2 3.25Å; A340-V344 WeakPolarHBondContact O-CG2 3.49Å; A340-V344 PolarHBondContact O-N 3.19Å; A340-V535 HydrophobicContact CB-CG1 3.66Å; A340-F539 HydrophobicContact CB-CD1 3.51Å; A340-F539 HydrophobicContact CB-CE1 3.89Å; A340-F539 HydrophobicContact CB-CG 4.36Å; A340-Y562 HydrophobicContact CB-CD1 4.36Å; A340-Y562 HydrophobicContact CB-CD2 4.36Å; A340-Y562 HydrophobicContact CB-CE1 4.36Å; A340-Y562 HydrophobicContact CB-CE2 4.36Å; A340-Y562 HydrophobicContact CB-CG 4.38Å
341F98.8Very high97Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-69.2-31.6178.6-69.1-2.4000112.5A290 L293 M337 Y339 V344 G345 F380 T381 E384 T385 V535A290-F341 HydrophobicContact CB-CB 3.8Å; L293-F341 HydrophobicContact CD2-CD2 4.27Å; M337-F341 HydrophobicContact CE-CE2 4.5Å; M337-F341 HydrophobicContact CG-CD1 4.21Å; M337-F341 HydrophobicContact CG-CD2 3.97Å; M337-F341 HydrophobicContact CG-CE1 3.82Å; M337-F341 HydrophobicContact CG-CE2 3.56Å; M337-F341 HydrophobicContact CG-CG 4.28Å; M337-F341 HydrophobicContact CG-CZ 3.48Å; M337-F341 VanDerWaalsContact CG-CZ 3.48Å; M337-F341 WeakPolarHBondContact O-CB 3.41Å; M337-F341 WeakPolarHBondContact O-CG 3.39Å; M337-F341 PolarHBondContact O-N 2.99Å; M337-F341 HydrophobicContact SD-CE1 4.43Å; M337-F341 HydrophobicContact SD-CE2 3.86Å; M337-F341 HydrophobicContact SD-CZ 3.65Å; Y339-F341 VanDerWaalsContact C-N 3.34Å; Y339-F341 PolarHBondContact O-N 3.24Å; F341-V344 PolarHBondContact O-N 3.36Å; F341-G345 PolarHBondContact O-N 3.47Å; F341-F380 HydrophobicContact CE1-CD1 4.24Å; F341-F380 AromaticContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CZ-CD1 4.32Å; F341-F380 HydrophobicContact CZ-CE1 4.11Å; F341-T381 HydrophobicContact CD1-CG2 3.74Å; F341-T381 HydrophobicContact CD2-CG2 4.08Å; F341-T381 HydrophobicContact CE1-CG2 3.75Å; F341-T381 HydrophobicContact CE2-CG2 4.09Å; F341-T381 WeakPolarHBondContact CE2-O 3.2Å; F341-T381 HydrophobicContact CG-CG2 3.92Å; F341-T381 HydrophobicContact CZ-CG2 3.93Å; F341-E384 HydrophobicContact CE2-CB 3.94Å; F341-E384 HydrophobicContact CZ-CB 3.74Å; F341-E384 HydrophobicContact CZ-CG 4.26Å; F341-T385 WeakPolarHBondContact CE2-OG1 3.32Å; F341-V535 HydrophobicContact CD1-CG1 4.18Å; F341-V535 HydrophobicContact CE1-CG1 4.18Å; F341-V535 HydrophobicContact CE1-CG2 4.28Å
342T98.6Very high96.5Very high25 Ų2518 Ų1815%0.1539%0.089CC..Hα-helixtrans-60.1-49.1173.5-59.70000110.6L23 A338 Y339 A340 V344 G345 Q346L23-T342 HydrophobicContact CD2-CG2 4.06Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 3.5Å; A338-T342 PolarHBondContact O-OG1 3.01Å; Y339-T342 WeakPolarHBondContact O-CB 3.39Å; Y339-T342 PolarHBondContact O-N 3.3Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 3.24Å; T342-V344 VanDerWaalsContact C-N 3.35Å; T342-V344 PolarHBondContact O-N 3.28Å; T342-G345 PolarHBondContact O-N 2.78Å; T342-Q346 WeakPolarHBondContact O-CG 3.17Å; T342-Q346 PolarHBondContact O-N 3.43Å
343F98.4Very high96Very high4 Ų422.6 Ų22.62%0.01811%0.11CC..Hα-helixtrans-68-34.1178.8-59.4-40.7000112.9I22 L23 Y339 A340 Q346 Y347 V538 F539 K542 L555I22-F343 HydrophobicContact CG2-CE1 4.36Å; L23-F343 HydrophobicContact CD2-CE1 4Å; L23-F343 HydrophobicContact CD2-CZ 4.24Å; Y339-F343 HydrophobicContact CD1-CE2 4.44Å; Y339-F343 HydrophobicContact CD1-CZ 4.31Å; Y339-F343 VanDerWaalsContact O-CD2 3.26Å; Y339-F343 WeakPolarHBondContact O-CD2 3.09Å; Y339-F343 PolarHBondContact O-N 2.91Å; Y339-F343 VanDerWaalsContact O-N 3.1Å; A340-F343 PolarHBondContact O-N 3.1Å; F343-Q346 PolarHBondContact O-N 3.38Å; F343-Y347 WeakPolarHBondContact O-CB 3.45Å; F343-Y347 PolarHBondContact O-N 3.01Å; F343-V538 HydrophobicContact CB-CG1 4.25Å; F343-F539 AromaticContact CD2-CD2 3.68Å; F343-F539 HydrophobicContact CD2-CD2 3.68Å; F343-F539 AromaticContact CD2-CE2 3.88Å; F343-F539 HydrophobicContact CD2-CE2 3.88Å; F343-F539 HydrophobicContact CD2-CG 4.35Å; F343-F539 AromaticContact CE2-CD2 3.83Å; F343-F539 HydrophobicContact CE2-CD2 3.83Å; F343-F539 AromaticContact CE2-CE2 3.57Å; F343-F539 HydrophobicContact CE2-CE2 3.57Å; F343-F539 HydrophobicContact CE2-CZ 4.35Å; F343-K542 HydrophobicContact CB-CB 4.41Å; F343-K542 HydrophobicContact CB-CG 4.4Å; F343-K542 HydrophobicContact CD1-CD 3.94Å; F343-K542 HydrophobicContact CD1-CG 3.64Å; F343-K542 HydrophobicContact CD2-CB 4.18Å; F343-K542 HydrophobicContact CD2-CG 3.98Å; F343-K542 HydrophobicContact CE1-CD 4.25Å; F343-K542 HydrophobicContact CE1-CG 3.78Å; F343-K542 HydrophobicContact CE2-CG 4.11Å; F343-K542 HydrophobicContact CG-CB 4.13Å; F343-K542 HydrophobicContact CG-CD 4.37Å; F343-K542 HydrophobicContact CG-CG 3.74Å; F343-K542 HydrophobicContact CZ-CG 4.01Å; F343-L555 HydrophobicContact CZ-CD1 4.3Å
344V98Very high95.6Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-69.3-35.6174.5175.60000112V286 A340 F341 T342 Y347 M348 L377 V535 V538V286-V344 HydrophobicContact CG1-CB 4.46Å; V286-V344 HydrophobicContact CG1-CG1 3.89Å; A340-V344 VanDerWaalsContact O-CG2 3.25Å; A340-V344 WeakPolarHBondContact O-CG2 3.49Å; A340-V344 PolarHBondContact O-N 3.19Å; F341-V344 PolarHBondContact O-N 3.36Å; T342-V344 VanDerWaalsContact C-N 3.35Å; T342-V344 PolarHBondContact O-N 3.28Å; V344-Y347 PolarHBondContact O-N 3.22Å; V344-M348 WeakPolarHBondContact O-CB 3.16Å; V344-M348 WeakPolarHBondContact O-CG 3.13Å; V344-M348 PolarHBondContact O-N 2.99Å; V344-L377 HydrophobicContact CG1-CD1 3.75Å; V344-L377 HydrophobicContact CG1-CD2 4.06Å; V344-L377 HydrophobicContact CG1-CG 4.42Å; V344-V535 HydrophobicContact CG2-CB 4.15Å; V344-V535 HydrophobicContact CG2-CG1 4.01Å; V344-V535 HydrophobicContact CG2-CG2 4.03Å; V344-V538 HydrophobicContact CG2-CB 3.94Å; V344-V538 HydrophobicContact CG2-CG1 3.89Å; V344-V538 HydrophobicContact CG2-CG2 4.47Å
345G96.6Very high95Very high5 Ų527.9 Ų27.95%0.05213%0.129CC..Hα-helixtrans-64-42.5172.500000112.7F341 T342 M348 T349F341-G345 PolarHBondContact O-N 3.47Å; T342-G345 PolarHBondContact O-N 2.78Å; G345-M348 PolarHBondContact O-N 3.16Å; G345-T349 PolarHBondContact O-N 2.96Å; G345-T349 VanDerWaalsContact O-N 3.07Å; G345-T349 PolarHBondContact O-OG1 3.29Å
346Q95.3Very high94.3Very high39 Ų3929.1 Ų29.118%0.18214%0.137CC..Hα-helixtrans-59.8-49.8173-69.5175.5-5.800110.9L23 T342 F343 M348 T349 E350L23-Q346 PolarHBondContact O-NE2 3.01Å; T342-Q346 WeakPolarHBondContact O-CG 3.17Å; T342-Q346 PolarHBondContact O-N 3.43Å; F343-Q346 PolarHBondContact O-N 3.38Å; Q346-M348 VanDerWaalsContact C-N 3.35Å; Q346-M348 PolarHBondContact O-N 3.5Å; Q346-T349 WeakPolarHBondContact O-CB 3.46Å; Q346-T349 PolarHBondContact O-N 3.49Å; Q346-T349 VanDerWaalsContact O-N 3.12Å; Q346-E350 WeakPolarHBondContact O-CG 3.47Å; Q346-E350 PolarHBondContact O-N 3.43Å
347Y95.4Very high93.7Very high54 Ų5434.9 Ų34.921%0.21216%0.164CC..Hα-helixtrans-57.4-43176.9168.6-104000113.2F343 V344 T349 E350 I351 L373 V534 V538F343-Y347 WeakPolarHBondContact O-CB 3.45Å; F343-Y347 PolarHBondContact O-N 3.01Å; V344-Y347 PolarHBondContact O-N 3.22Å; Y347-T349 VanDerWaalsContact C-N 3.31Å; Y347-T349 PolarHBondContact O-N 3.33Å; Y347-E350 PolarHBondContact O-N 3.18Å; Y347-I351 HydrophobicContact CD1-CD1 4.26Å; Y347-I351 HydrophobicContact CD2-CD1 4.02Å; Y347-I351 HydrophobicContact CD2-CG1 4.38Å; Y347-I351 HydrophobicContact CE1-CD1 3.61Å; Y347-I351 HydrophobicContact CE2-CD1 3.32Å; Y347-I351 HydrophobicContact CE2-CG1 4.06Å; Y347-I351 HydrophobicContact CG-CD1 4.45Å; Y347-I351 WeakPolarHBondContact O-CG1 3.26Å; Y347-I351 PolarHBondContact O-N 3.04Å; Y347-I351 WeakPolarHBondContact OH-CD1 3.12Å; Y347-L373 HydrophobicContact CE1-CD2 4.03Å; Y347-V534 HydrophobicContact CE1-CG1 4.33Å; Y347-V538 HydrophobicContact CD1-CG2 3.85Å; Y347-V538 HydrophobicContact CD2-CG2 4.21Å; Y347-V538 HydrophobicContact CE1-CG2 4.02Å; Y347-V538 HydrophobicContact CE2-CG2 4.38Å; Y347-V538 HydrophobicContact CG-CG1 4.3Å; Y347-V538 HydrophobicContact CG-CG2 3.93Å
348M94.3Very high93.1Very high0 Ų036.5 Ų36.50%017%0.173CC..Hα-helixtrans-64.4-36.3177.1-81.3-60.2-56.700112.6S283 V286 V344 G345 Q346 Y352 L370 L373 L377S283-M348 VanDerWaalsContact OG-C 3.27Å; S283-M348 WeakPolarHBondContact OG-CB 3.12Å; S283-M348 PolarHBondContact OG-O 3.42Å; V286-M348 HydrophobicContact CG1-CG 4.43Å; V286-M348 HydrophobicContact CG2-CG 4.46Å; V344-M348 WeakPolarHBondContact O-CB 3.16Å; V344-M348 WeakPolarHBondContact O-CG 3.13Å; V344-M348 PolarHBondContact O-N 2.99Å; G345-M348 PolarHBondContact O-N 3.16Å; Q346-M348 VanDerWaalsContact C-N 3.35Å; Q346-M348 PolarHBondContact O-N 3.5Å; M348-Y352 WeakPolarHBondContact O-CB 3.47Å; M348-Y352 PolarHBondContact O-N 3.29Å; M348-L370 HydrophobicContact CE-CD1 4.31Å; M348-L373 HydrophobicContact SD-CD2 4.1Å; M348-L373 HydrophobicContact SD-CG 4.03Å; M348-L377 HydrophobicContact CG-CD1 3.84Å; M348-L377 HydrophobicContact SD-CD1 3.59Å; M348-L377 VanDerWaalsContact SD-CD1 3.59Å
349T91.2Very high92.4Very high51 Ų5137.9 Ų37.931%0.31318%0.18SC..Hα-helixtrans-66-48.8175.9-56.70000110.7G345 Q346 Y347 I351 Y352 H353G345-T349 PolarHBondContact O-N 2.96Å; G345-T349 VanDerWaalsContact O-N 3.07Å; G345-T349 PolarHBondContact O-OG1 3.29Å; Q346-T349 WeakPolarHBondContact O-CB 3.46Å; Q346-T349 PolarHBondContact O-N 3.49Å; Q346-T349 VanDerWaalsContact O-N 3.12Å; Y347-T349 VanDerWaalsContact C-N 3.31Å; Y347-T349 PolarHBondContact O-N 3.33Å; T349-I351 PolarHBondContact O-N 3.46Å; T349-Y352 PolarHBondContact O-N 3.06Å; T349-H353 PolarHBondContact O-CD2 3.39Å; T349-H353 PolarHBondContact O-N 3.2Å; T349-H353 VanDerWaalsContact O-N 3.1Å
350E91.4Very high91.5Very high125 Ų12543.7 Ų43.758%0.58421%0.211SC*.Hα-helixtrans-58.1-45.8177.3-70170.3-169.300112.1Q346 Y347 R354Q346-E350 WeakPolarHBondContact O-CG 3.47Å; Q346-E350 PolarHBondContact O-N 3.43Å; Y347-E350 PolarHBondContact O-N 3.18Å; E350-R354 WeakPolarHBondContact O-CB 3.09Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 VanDerWaalsContact O-N 3.14Å
351I90.3Very high90.9Very high17 Ų1751.4 Ų51.49%0.08725%0.248CC..Hα-helixtrans-66.1-41.2178.5-72.1-172.4000111.8Y347 T349 R354 I355 L370 L373Y347-I351 HydrophobicContact CD1-CD1 4.26Å; Y347-I351 HydrophobicContact CD2-CD1 4.02Å; Y347-I351 HydrophobicContact CD2-CG1 4.38Å; Y347-I351 HydrophobicContact CE1-CD1 3.61Å; Y347-I351 HydrophobicContact CE2-CD1 3.32Å; Y347-I351 HydrophobicContact CE2-CG1 4.06Å; Y347-I351 HydrophobicContact CG-CD1 4.45Å; Y347-I351 WeakPolarHBondContact O-CG1 3.26Å; Y347-I351 PolarHBondContact O-N 3.04Å; Y347-I351 WeakPolarHBondContact OH-CD1 3.12Å; T349-I351 PolarHBondContact O-N 3.46Å; I351-R354 PolarHBondContact O-N 2.98Å; I351-I355 HydrophobicContact CG2-CD1 3.55Å; I351-I355 HydrophobicContact CG2-CG1 4.33Å; I351-I355 WeakPolarHBondContact O-CB 3.48Å; I351-I355 WeakPolarHBondContact O-CG1 3.48Å; I351-I355 PolarHBondContact O-N 2.93Å; I351-L370 HydrophobicContact CG2-CD1 3.97Å; I351-L373 HydrophobicContact CD1-CD2 4.5Å
352Y89.1Confident90.2Very high27 Ų2753.6 Ų53.611%0.10627%0.27CS..Hα-helixtrans-59.8-46.9179.2173-93.3000111.6V279 F280 M348 T349 I355 S356 L370V279-Y352 HydrophobicContact CG1-CD2 4.2Å; V279-Y352 HydrophobicContact CG1-CE2 4.45Å; F280-Y352 HydrophobicContact CB-CD2 4.46Å; F280-Y352 HydrophobicContact CB-CE1 4.35Å; F280-Y352 HydrophobicContact CB-CE2 3.65Å; F280-Y352 AromaticContact CD2-CD1 3.9Å; F280-Y352 HydrophobicContact CD2-CD1 3.9Å; F280-Y352 AromaticContact CD2-CE1 3.4Å; F280-Y352 HydrophobicContact CD2-CE1 3.4Å; F280-Y352 HydrophobicContact CD2-CE2 4.16Å; F280-Y352 HydrophobicContact CD2-CG 4.47Å; F280-Y352 AromaticContact CD2-CZ 3.55Å; F280-Y352 HydrophobicContact CE2-CE1 4.1Å; F280-Y352 HydrophobicContact CG-CE1 4.25Å; F280-Y352 HydrophobicContact CG-CE2 4.39Å; F280-Y352 AromaticContact CG-CZ 3.95Å; M348-Y352 WeakPolarHBondContact O-CB 3.47Å; M348-Y352 PolarHBondContact O-N 3.29Å; T349-Y352 PolarHBondContact O-N 3.06Å; Y352-I355 PolarHBondContact O-N 3.17Å; Y352-S356 VanDerWaalsContact O-CB 3.25Å; Y352-S356 WeakPolarHBondContact O-CB 3.43Å; Y352-S356 PolarHBondContact O-N 3.16Å; Y352-S356 PolarHBondContact O-OG 3.24Å; Y352-L370 HydrophobicContact CD2-CD2 4.39Å
353H88.1Confident89.6Confident97 Ų9755.8 Ų55.845%0.44928%0.281SS..Hα-helixtrans-63-48.8179.4-73.5-60.1000111.7T349 I355 S356 E357T349-H353 PolarHBondContact O-CD2 3.39Å; T349-H353 PolarHBondContact O-N 3.2Å; T349-H353 VanDerWaalsContact O-N 3.1Å; H353-I355 PolarHBondContact O-N 3.4Å; H353-S356 PolarHBondContact O-N 2.78Å; H353-S356 VanDerWaalsContact O-N 3.16Å; H353-E357 PolarHBondContact O-N 2.93Å
354R89.6Confident88.9Confident129 Ų12958.9 Ų58.949%0.48729%0.294SS..Hα-helixtrans-55.8-48.3177.5-177.618060.71263.6112.5E350 I351 S356 E357 D358E350-R354 WeakPolarHBondContact O-CB 3.09Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 VanDerWaalsContact O-N 3.14Å; I351-R354 PolarHBondContact O-N 2.98Å; R354-S356 VanDerWaalsContact C-N 3.3Å; R354-S356 PolarHBondContact O-N 3.23Å; R354-E357 WeakPolarHBondContact O-CB 3.25Å; R354-E357 PolarHBondContact O-N 3.34Å; R354-D358 PolarHBondContact O-N 3.09Å; R354-D358 VanDerWaalsContact O-N 3.16Å
355I86.5Confident88.3Confident5 Ų562.4 Ų62.43%0.02632%0.319CS..Hα-helixtrans-72.1-28.1-178-67.1174.3000111.6I351 Y352 H353 D358 I359 Q366 L370I351-I355 HydrophobicContact CG2-CD1 3.55Å; I351-I355 HydrophobicContact CG2-CG1 4.33Å; I351-I355 WeakPolarHBondContact O-CB 3.48Å; I351-I355 WeakPolarHBondContact O-CG1 3.48Å; I351-I355 PolarHBondContact O-N 2.93Å; Y352-I355 PolarHBondContact O-N 3.17Å; H353-I355 PolarHBondContact O-N 3.4Å; I355-D358 PolarHBondContact O-N 2.82Å; I355-I359 HydrophobicContact CG2-CD1 4.06Å; I355-I359 HydrophobicContact CG2-CG1 4.48Å; I355-I359 WeakPolarHBondContact O-CD1 3.37Å; I355-I359 VanDerWaalsContact O-CG1 3.24Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.18Å; I355-Q366 HydrophobicContact CD1-CB 3.79Å; I355-Q366 HydrophobicContact CG1-CB 3.91Å; I355-Q366 HydrophobicContact CG2-CB 4.3Å; I355-L370 HydrophobicContact CB-CD2 3.96Å; I355-L370 HydrophobicContact CD1-CB 3.68Å; I355-L370 HydrophobicContact CD1-CD1 4.49Å; I355-L370 HydrophobicContact CD1-CD2 4.08Å; I355-L370 HydrophobicContact CD1-CG 4.28Å; I355-L370 HydrophobicContact CG2-CD2 3.71Å
356S83.7Confident87.9Confident26 Ų2664.9 Ų64.918%0.18233%0.329CS..Hα-helixtrans-69.7-34.6174.4-64.80000111.8Y352 H353 R354 I359 N360Y352-S356 VanDerWaalsContact O-CB 3.25Å; Y352-S356 WeakPolarHBondContact O-CB 3.43Å; Y352-S356 PolarHBondContact O-N 3.16Å; Y352-S356 PolarHBondContact O-OG 3.24Å; H353-S356 PolarHBondContact O-N 2.78Å; H353-S356 VanDerWaalsContact O-N 3.16Å; R354-S356 VanDerWaalsContact C-N 3.3Å; R354-S356 PolarHBondContact O-N 3.23Å; S356-I359 PolarHBondContact O-N 2.91Å; S356-N360 VanDerWaalsContact O-CG 3.31Å; S356-N360 PolarHBondContact O-N 3.25Å; S356-N360 VanDerWaalsContact O-N 3.1Å; S356-N360 PolarHBondContact O-ND2 2.84Å
357E86.7Confident87.4Confident121 Ų12163.5 Ų63.557%0.56532%0.323SS*.Hα-helixtrans-63.1-45.5169.4-70.4174.3-175.900111.6H353 R354 I359 N360 Q361H353-E357 PolarHBondContact O-N 2.93Å; R354-E357 WeakPolarHBondContact O-CB 3.25Å; R354-E357 PolarHBondContact O-N 3.34Å; E357-I359 VanDerWaalsContact C-N 3.32Å; E357-I359 PolarHBondContact O-N 3.11Å; E357-N360 PolarHBondContact O-N 3.01Å; E357-Q361 WeakPolarHBondContact O-CG 3.17Å; E357-Q361 PolarHBondContact O-N 3.23Å
358D86.9Confident87.1Confident41 Ų4162.8 Ų62.822%0.21932%0.324CS..Hα-helixtrans-57.8-44175.7-65-22.3000111.5R354 I355 N360 Q361 G362 D363R354-D358 PolarHBondContact O-N 3.09Å; R354-D358 VanDerWaalsContact O-N 3.16Å; I355-D358 PolarHBondContact O-N 2.82Å; D358-N360 VanDerWaalsContact C-N 3.35Å; D358-N360 PolarHBondContact O-N 2.8Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 WeakPolarHBondContact O-CA 3.47Å; D358-Q361 WeakPolarHBondContact O-CB 3.44Å; D358-Q361 PolarHBondContact O-N 3.27Å; D358-G362 PolarHBondContact O-N 3.19Å; D358-D363 CarbonylContact C-O 3.54Å; D358-D363 HydrophobicContact CB-CB 4.26Å; D358-D363 PolarHBondContact O-N 3.05Å
359I83Confident86.9Confident29 Ų2963.9 Ų63.915%0.14933%0.33CS..Hα-helixtrans-61.7-41.4177.6-74165.9000111.7L273 I355 S356 E357 Q361 G362 D363 F364 L367L273-I359 HydrophobicContact CD2-CG2 4.07Å; I355-I359 HydrophobicContact CG2-CD1 4.06Å; I355-I359 HydrophobicContact CG2-CG1 4.48Å; I355-I359 WeakPolarHBondContact O-CD1 3.37Å; I355-I359 VanDerWaalsContact O-CG1 3.24Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.18Å; S356-I359 PolarHBondContact O-N 2.91Å; E357-I359 VanDerWaalsContact C-N 3.32Å; E357-I359 PolarHBondContact O-N 3.11Å; I359-Q361 PolarHBondContact O-N 3.23Å; I359-G362 PolarHBondContact O-N 3.48Å; I359-D363 WeakPolarHBondContact CA-O 3.34Å; I359-D363 PolarHBondContact N-O 2.95Å; I359-F364 HydrophobicContact CG1-CD1 4.2Å; I359-F364 HydrophobicContact CG2-CD1 4.43Å; I359-F364 HydrophobicContact CG2-CE1 3.99Å; I359-L367 HydrophobicContact CD1-CD1 4.1Å
360N81.1Confident86.9Confident123 Ų12361.6 Ų61.666%0.65832%0.315SS*.Hα-helixtrans-65.2-23.5177.4-72.7-29.2000112.3S356 E357 D358S356-N360 VanDerWaalsContact O-CG 3.31Å; S356-N360 PolarHBondContact O-N 3.25Å; S356-N360 VanDerWaalsContact O-N 3.1Å; S356-N360 PolarHBondContact O-ND2 2.84Å; E357-N360 PolarHBondContact O-N 3.01Å; D358-N360 VanDerWaalsContact C-N 3.35Å; D358-N360 PolarHBondContact O-N 2.8Å
361Q85.9Confident86.9Confident162 Ų16257 Ų5776%0.75729%0.294SS*.THydrogen-bonded Turntrans-89.8-0.5173.2-61.6177.224.300113.2E357 D358 I359E357-Q361 WeakPolarHBondContact O-CG 3.17Å; E357-Q361 PolarHBondContact O-N 3.23Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 WeakPolarHBondContact O-CA 3.47Å; D358-Q361 WeakPolarHBondContact O-CB 3.44Å; D358-Q361 PolarHBondContact O-N 3.27Å; I359-Q361 PolarHBondContact O-N 3.23Å
362G83.6Confident87Confident45 Ų4556.4 Ų56.446%0.46429%0.292SS..THydrogen-bonded Turntrans87.710.8178.800000115.1D358 I359 F364D358-G362 PolarHBondContact O-N 3.19Å; I359-G362 PolarHBondContact O-N 3.48Å; G362-F364 VanDerWaalsContact O-CD2 3.32Å; G362-F364 WeakPolarHBondContact O-CD2 3.33Å; G362-F364 WeakPolarHBondContact O-CE2 3.12Å
363D85.9Confident87.3Confident72 Ų7255.3 Ų55.339%0.38529%0.288SS..  trans-92.1119.7171.4-174.55.8000111.2D358 I359 S365D358-D363 CarbonylContact C-O 3.54Å; D358-D363 HydrophobicContact CB-CB 4.26Å; D358-D363 PolarHBondContact O-N 3.05Å; I359-D363 WeakPolarHBondContact CA-O 3.34Å; I359-D363 PolarHBondContact N-O 2.95Å; D363-S365 WeakPolarHBondContact OD1-CB 3.36Å; D363-S365 PolarHBondContact OD1-N 2.92Å; D363-S365 PolarHBondContact OD1-OG 3.44Å; D363-S365 PolarHBondContact OD2-OG 2.64Å; D363-S365 VanDerWaalsContact OD2-OG 3.09Å
364F84.7Confident87.6Confident69 Ų6950.7 Ų50.730%0.30327%0.266SS..  trans-112.710.3180-50.5-79000112.7L273 I359 G362 Q366 L367L273-F364 HydrophobicContact CD1-CE1 3.98Å; L273-F364 HydrophobicContact CD1-CZ 4.36Å; L273-F364 HydrophobicContact CD2-CD1 4.08Å; L273-F364 HydrophobicContact CD2-CE1 3.66Å; L273-F364 HydrophobicContact CG-CE1 4.24Å; I359-F364 HydrophobicContact CG1-CD1 4.2Å; I359-F364 HydrophobicContact CG2-CD1 4.43Å; I359-F364 HydrophobicContact CG2-CE1 3.99Å; G362-F364 VanDerWaalsContact O-CD2 3.32Å; G362-F364 WeakPolarHBondContact O-CD2 3.33Å; G362-F364 WeakPolarHBondContact O-CE2 3.12Å; F364-Q366 PolarHBondContact O-N 2.78Å; F364-L367 WeakPolarHBondContact O-CB 2.99Å; F364-L367 PolarHBondContact O-N 3.01Å
365S85.9Confident87.9Confident73 Ų7344.6 Ų44.651%0.5124%0.243SC..SBendtrans-64-36.9-172.164.50000113.2D363 P368D363-S365 WeakPolarHBondContact OD1-CB 3.36Å; D363-S365 PolarHBondContact OD1-N 2.92Å; D363-S365 PolarHBondContact OD1-OG 3.44Å; D363-S365 PolarHBondContact OD2-OG 2.64Å; D363-S365 VanDerWaalsContact OD2-OG 3.09Å; S365-P368 VanDerWaalsContact O-CD 3.29Å; S365-P368 WeakPolarHBondContact O-CD 3.48Å
366Q86.7Confident88.5Confident57 Ų5744.3 Ų44.327%0.26624%0.242SC..SBendtrans-88.9-13.1-177.4-59.6-65-0.300114.3I355 F364 E369 L370I355-Q366 HydrophobicContact CD1-CB 3.79Å; I355-Q366 HydrophobicContact CG1-CB 3.91Å; I355-Q366 HydrophobicContact CG2-CB 4.3Å; F364-Q366 PolarHBondContact O-N 2.78Å; Q366-E369 PolarHBondContact O-N 3.16Å; Q366-E369 VanDerWaalsContact O-N 3.13Å; Q366-L370 PolarHBondContact O-N 3.46Å; Q366-L370 VanDerWaalsContact O-N 3.13Å
367L85.4Confident89.2Confident11 Ų1143.1 Ų43.16%0.05823%0.233CC..Hα-helixtrans-56-39.1-178.8-177.861.2000113.9K272 I359 F364 E369 H371K272-L367 HydrophobicContact CB-CD2 3.78Å; K272-L367 HydrophobicContact CD-CD2 4.45Å; I359-L367 HydrophobicContact CD1-CD1 4.1Å; F364-L367 WeakPolarHBondContact O-CB 2.99Å; F364-L367 PolarHBondContact O-N 3.01Å; L367-E369 PolarHBondContact O-N 2.77Å; L367-H371 WeakPolarHBondContact O-CB 3.29Å; L367-H371 PolarHBondContact O-N 3.24Å
368P89.4Confident89.8Confident38 Ų3837.3 Ų37.325%0.24721%0.206CC..Hα-helixtrans-61.8-39.4176.2-21.733.9000114S365 A372 Y434S365-P368 VanDerWaalsContact O-CD 3.29Å; S365-P368 WeakPolarHBondContact O-CD 3.48Å; P368-A372 WeakPolarHBondContact O-CB 3.07Å; P368-A372 PolarHBondContact O-N 2.99Å; P368-A372 VanDerWaalsContact O-N 3.12Å; P368-Y434 HydrophobicContact CB-CD2 4.42Å; P368-Y434 HydrophobicContact CB-CE2 4.24Å
369E89.9Confident90.3Very high23 Ų2335.4 Ų35.411%0.10720%0.196CC..Hα-helixtrans-68.9-48.1179.1-175.5174.2173.900110.3Q366 L367 H371 A372 L373 Y434 I451Q366-E369 PolarHBondContact O-N 3.16Å; Q366-E369 VanDerWaalsContact O-N 3.13Å; L367-E369 PolarHBondContact O-N 2.77Å; E369-H371 VanDerWaalsContact C-N 3.3Å; E369-H371 PolarHBondContact O-N 3.34Å; E369-A372 PolarHBondContact O-N 2.85Å; E369-A372 VanDerWaalsContact O-N 3.15Å; E369-L373 VanDerWaalsContact O-CB 3.28Å; E369-L373 WeakPolarHBondContact O-CB 3.4Å; E369-L373 PolarHBondContact O-N 2.9Å; E369-Y434 HydrophobicContact CB-CE2 4.47Å; E369-Y434 WeakPolarHBondContact CB-OH 3.44Å; E369-Y434 HydrophobicContact CG-CE1 4.39Å; E369-I451 HydrophobicContact CG-CG2 4.23Å; E369-I451 WeakPolarHBondContact OE1-CB 3.25Å; E369-I451 WeakPolarHBondContact OE1-CG2 3.34Å; E369-I451 PolarHBondContact OE1-N 3.12Å
370L90.8Very high91.1Very high3 Ų334.2 Ų34.22%0.01619%0.19CC..Hα-helixtrans-56.4-43.9176.1175.760000112.2V279 M348 I351 Y352 I355 Q366 S374V279-L370 HydrophobicContact CG1-CD1 4.03Å; V279-L370 HydrophobicContact CG1-CD2 3.68Å; V279-L370 HydrophobicContact CG1-CG 3.57Å; M348-L370 HydrophobicContact CE-CD1 4.31Å; I351-L370 HydrophobicContact CG2-CD1 3.97Å; Y352-L370 HydrophobicContact CD2-CD2 4.39Å; I355-L370 HydrophobicContact CB-CD2 3.96Å; I355-L370 HydrophobicContact CD1-CB 3.68Å; I355-L370 HydrophobicContact CD1-CD1 4.49Å; I355-L370 HydrophobicContact CD1-CD2 4.08Å; I355-L370 HydrophobicContact CD1-CG 4.28Å; I355-L370 HydrophobicContact CG2-CD2 3.71Å; Q366-L370 PolarHBondContact O-N 3.46Å; Q366-L370 VanDerWaalsContact O-N 3.13Å; L370-S374 VanDerWaalsContact O-CB 3.23Å; L370-S374 WeakPolarHBondContact O-CB 3.46Å; L370-S374 PolarHBondContact O-N 3.05Å; L370-S374 PolarHBondContact O-OG 3.43Å
371H91.3Very high91.9Very high29 Ų2928.3 Ų28.313%0.13416%0.158CC..Hα-helixtrans-63.2-43.4178.5-168.3122.6000111.5L367 E369 S374 A375 Q430L367-H371 WeakPolarHBondContact O-CB 3.29Å; L367-H371 PolarHBondContact O-N 3.24Å; E369-H371 VanDerWaalsContact C-N 3.3Å; E369-H371 PolarHBondContact O-N 3.34Å; H371-S374 PolarHBondContact O-OG 3.45Å; H371-S374 VanDerWaalsContact O-OG 3.13Å; H371-A375 VanDerWaalsContact O-CB 3.32Å; H371-A375 WeakPolarHBondContact O-CB 3.32Å; H371-A375 PolarHBondContact O-N 2.61Å; H371-Q430 VanDerWaalsContact CD2-CD 3.5Å; H371-Q430 PolarHBondContact CD2-NE2 3.37Å; H371-Q430 PolarHBondContact NE2-NE2 2.93Å; H371-Q430 PolarHBondContact NE2-OE1 3.47Å
372A93.1Very high92.5Very high5 Ų520.6 Ų20.64%0.04112%0.122CC..Hα-helixtrans-69.1-41.9179.300000112.4P368 E369 G376 T431 Y434P368-A372 WeakPolarHBondContact O-CB 3.07Å; P368-A372 PolarHBondContact O-N 2.99Å; P368-A372 VanDerWaalsContact O-N 3.12Å; E369-A372 PolarHBondContact O-N 2.85Å; E369-A372 VanDerWaalsContact O-N 3.15Å; A372-G376 PolarHBondContact O-N 2.82Å; A372-G376 VanDerWaalsContact O-N 3.08Å; A372-T431 PolarHBondContact O-OG1 3.47Å; A372-Y434 VanDerWaalsContact CB-CB 3.45Å; A372-Y434 HydrophobicContact CB-CD1 3.49Å; A372-Y434 VanDerWaalsContact CB-CD1 3.49Å; A372-Y434 HydrophobicContact CB-CD2 4.24Å; A372-Y434 HydrophobicContact CB-CE1 4.28Å; A372-Y434 HydrophobicContact CB-CG 3.47Å; A372-Y434 VanDerWaalsContact CB-CG 3.47Å
373L94.3Very high93.3Very high4 Ų422.6 Ų22.62%0.02112%0.116CC..Hα-helixtrans-70.5-46.2-178.3-173.861.9000111.7Y347 M348 I351 E369 A375 G376 L377 I451 V534Y347-L373 HydrophobicContact CE1-CD2 4.03Å; M348-L373 HydrophobicContact SD-CD2 4.1Å; M348-L373 HydrophobicContact SD-CG 4.03Å; I351-L373 HydrophobicContact CD1-CD2 4.5Å; E369-L373 VanDerWaalsContact O-CB 3.28Å; E369-L373 WeakPolarHBondContact O-CB 3.4Å; E369-L373 PolarHBondContact O-N 2.9Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.14Å; L373-G376 PolarHBondContact O-N 2.95Å; L373-L377 HydrophobicContact CD1-CD1 3.69Å; L373-L377 HydrophobicContact CD1-CG 3.99Å; L373-L377 HydrophobicContact CG-CD1 3.82Å; L373-L377 HydrophobicContact CG-CG 4.42Å; L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 PolarHBondContact O-N 3.35Å; L373-I451 HydrophobicContact CD1-CG2 4.48Å; L373-V534 HydrophobicContact CD1-CG1 4.25Å; L373-V534 HydrophobicContact CD1-CG2 4.14Å
374S95.7Very high93.9Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-60.1-40.3175.657.70000112.2L370 H371 K378L370-S374 VanDerWaalsContact O-CB 3.23Å; L370-S374 WeakPolarHBondContact O-CB 3.46Å; L370-S374 PolarHBondContact O-N 3.05Å; L370-S374 PolarHBondContact O-OG 3.43Å; H371-S374 PolarHBondContact O-OG 3.45Å; H371-S374 VanDerWaalsContact O-OG 3.13Å; S374-K378 WeakPolarHBondContact O-CB 3.23Å; S374-K378 PolarHBondContact O-N 2.94Å
375A96.3Very high94.6Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-64.1-49.5176.300000112.1H371 L373 A379 M427H371-A375 VanDerWaalsContact O-CB 3.32Å; H371-A375 WeakPolarHBondContact O-CB 3.32Å; H371-A375 PolarHBondContact O-N 2.61Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.14Å; A375-A379 PolarHBondContact O-N 3.05Å; A375-A379 VanDerWaalsContact O-N 3.07Å; A375-M427 HydrophobicContact CB-CB 4.12Å; A375-M427 HydrophobicContact CB-CG 4.47Å; A375-M427 HydrophobicContact CB-SD 3.83Å
376G98.1Very high95.2Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-66-48.4-177.500000112.3A372 L373 A379 F380 T431 C531A372-G376 PolarHBondContact O-N 2.82Å; A372-G376 VanDerWaalsContact O-N 3.08Å; L373-G376 PolarHBondContact O-N 2.95Å; G376-A379 PolarHBondContact O-N 3.46Å; G376-F380 WeakPolarHBondContact O-CB 3.38Å; G376-F380 PolarHBondContact O-N 2.85Å; G376-T431 VanDerWaalsContact CA-OG1 3.24Å; G376-T431 WeakPolarHBondContact CA-OG1 3.32Å; G376-T431 PolarHBondContact N-OG1 3.4Å; G376-C531 WeakPolarHBondContact CA-SG 3.31Å
377L98.4Very high95.7Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-68.1-36.1179.9-71.7176.4000112.4V286 V344 M348 L373 A379 T381 C531 V534 V535V286-L377 HydrophobicContact CG2-CB 4.04Å; V344-L377 HydrophobicContact CG1-CD1 3.75Å; V344-L377 HydrophobicContact CG1-CD2 4.06Å; V344-L377 HydrophobicContact CG1-CG 4.42Å; M348-L377 HydrophobicContact CG-CD1 3.84Å; M348-L377 HydrophobicContact SD-CD1 3.59Å; M348-L377 VanDerWaalsContact SD-CD1 3.59Å; L373-L377 HydrophobicContact CD1-CD1 3.69Å; L373-L377 HydrophobicContact CD1-CG 3.99Å; L373-L377 HydrophobicContact CG-CD1 3.82Å; L373-L377 HydrophobicContact CG-CG 4.42Å; L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 PolarHBondContact O-N 3.35Å; L377-A379 VanDerWaalsContact C-N 3.34Å; L377-T381 WeakPolarHBondContact O-CB 3.26Å; L377-T381 VanDerWaalsContact O-CG2 3.31Å; L377-T381 WeakPolarHBondContact O-CG2 3.5Å; L377-T381 PolarHBondContact O-N 2.94Å; L377-T381 PolarHBondContact O-OG1 2.92Å; L377-C531 HydrophobicContact CD2-CB 4.15Å; L377-V534 HydrophobicContact CD1-CG1 4.26Å; L377-V534 HydrophobicContact CD2-CB 4.44Å; L377-V534 HydrophobicContact CD2-CG1 4.35Å; L377-V535 HydrophobicContact CD2-CG2 4.1Å
378K98.4Very high96.4Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-57.4-50.3170.3178.6-86.7-174.3-173.60110.1R282 I285 S374 T382 T417 Y420 G422 N424R282-K378 HydrophobicContact CB-CB 4.32Å; R282-K378 HydrophobicContact CG-CB 4.42Å; R282-K378 HydrophobicContact CG-CG 4.31Å; I285-K378 HydrophobicContact CB-CG 4.21Å; I285-K378 HydrophobicContact CD1-CG 4.21Å; I285-K378 HydrophobicContact CG2-CG 3.87Å; S374-K378 WeakPolarHBondContact O-CB 3.23Å; S374-K378 PolarHBondContact O-N 2.94Å; K378-T382 WeakPolarHBondContact O-CB 3.24Å; K378-T382 WeakPolarHBondContact O-CG2 3.36Å; K378-T382 PolarHBondContact O-N 3.15Å; K378-T382 VanDerWaalsContact O-N 3.16Å; K378-T382 PolarHBondContact O-OG1 2.9Å; K378-T417 WeakPolarHBondContact CE-O 3.13Å; K378-T417 PolarHBondContact NZ-O 2.72Å; K378-Y420 WeakPolarHBondContact CE-O 3.47Å; K378-Y420 PolarHBondContact NZ-O 2.89Å; K378-G422 PolarHBondContact NZ-O 3.21Å; K378-N424 PolarHBondContact NZ-OD1 3.22Å
379A98.8Very high96.8Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-65.1-47.1-178.300000112.5A375 G376 L377 T382 W383 N424 M427 M428A375-A379 PolarHBondContact O-N 3.05Å; A375-A379 VanDerWaalsContact O-N 3.07Å; G376-A379 PolarHBondContact O-N 3.46Å; L377-A379 VanDerWaalsContact C-N 3.34Å; A379-T382 PolarHBondContact O-OG1 3.29Å; A379-W383 PolarHBondContact O-N 2.99Å; A379-W383 VanDerWaalsContact O-N 3.13Å; A379-N424 HydrophobicContact CB-CB 3.83Å; A379-N424 PolarHBondContact O-ND2 3.08Å; A379-M427 HydrophobicContact CB-CB 4.04Å; A379-M428 HydrophobicContact CB-CE 3.79Å; A379-M428 HydrophobicContact CB-CG 4.02Å; A379-M428 HydrophobicContact CB-SD 4.1Å
380F98.9Very high97.3Very high4 Ų416.7 Ų16.72%0.0188%0.084CC..Hα-helixtrans-60.7-55.3-179.7-176.3-99000111.6F341 G376 T382 W383 E384 M428 D528 C531 H532 V535F341-F380 HydrophobicContact CE1-CD1 4.24Å; F341-F380 AromaticContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CE1-CE1 3.95Å; F341-F380 HydrophobicContact CZ-CD1 4.32Å; F341-F380 HydrophobicContact CZ-CE1 4.11Å; G376-F380 WeakPolarHBondContact O-CB 3.38Å; G376-F380 PolarHBondContact O-N 2.85Å; F380-T382 VanDerWaalsContact C-N 3.32Å; F380-T382 PolarHBondContact O-N 3.08Å; F380-W383 PolarHBondContact O-N 3.19Å; F380-E384 HydrophobicContact CE1-CG 4.27Å; F380-E384 HydrophobicContact CE2-CG 4.35Å; F380-E384 HydrophobicContact CZ-CG 4.15Å; F380-E384 WeakPolarHBondContact O-CG 3.49Å; F380-E384 PolarHBondContact O-N 2.95Å; F380-E384 VanDerWaalsContact O-N 3.14Å; F380-M428 HydrophobicContact CB-CE 3.95Å; F380-D528 WeakPolarHBondContact CD2-OD1 3.49Å; F380-D528 WeakPolarHBondContact CE2-OD1 3.44Å; F380-C531 HydrophobicContact CB-CB 3.78Å; F380-C531 HydrophobicContact CD1-CB 4.42Å; F380-C531 HydrophobicContact CD2-CB 4.08Å; F380-C531 HydrophobicContact CG-CB 3.83Å; F380-H532 HydrophobicContact CE2-CB 3.87Å; F380-H532 HydrophobicContact CZ-CB 3.76Å; F380-H532 AromaticContact CZ-CG 3.73Å; F380-V535 HydrophobicContact CD1-CG2 4.06Å; F380-V535 HydrophobicContact CE1-CG2 3.87Å
381T98.9Very high97.6Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-66.8-34.1-17559.60000112.7V286 S289 F341 L377 T385V286-T381 HydrophobicContact CG1-CG2 4.16Å; S289-T381 PolarHBondContact OG-OG1 3.42Å; F341-T381 HydrophobicContact CD1-CG2 3.74Å; F341-T381 HydrophobicContact CD2-CG2 4.08Å; F341-T381 HydrophobicContact CE1-CG2 3.75Å; F341-T381 HydrophobicContact CE2-CG2 4.09Å; F341-T381 WeakPolarHBondContact CE2-O 3.2Å; F341-T381 HydrophobicContact CG-CG2 3.92Å; F341-T381 HydrophobicContact CZ-CG2 3.93Å; L377-T381 WeakPolarHBondContact O-CB 3.26Å; L377-T381 VanDerWaalsContact O-CG2 3.31Å; L377-T381 WeakPolarHBondContact O-CG2 3.5Å; L377-T381 PolarHBondContact O-N 2.94Å; L377-T381 PolarHBondContact O-OG1 2.92Å; T381-T385 WeakPolarHBondContact O-CB 3.28Å; T381-T385 PolarHBondContact O-N 2.8Å; T381-T385 PolarHBondContact O-OG1 2.86Å
382T98.9Very high98Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-71.7-42.7178.554.50000112.4I285 K378 A379 F380 N386 F414 T417 N424I285-T382 HydrophobicContact CG2-CG2 3.43Å; I285-T382 VanDerWaalsContact CG2-CG2 3.43Å; K378-T382 WeakPolarHBondContact O-CB 3.24Å; K378-T382 WeakPolarHBondContact O-CG2 3.36Å; K378-T382 PolarHBondContact O-N 3.15Å; K378-T382 VanDerWaalsContact O-N 3.16Å; K378-T382 PolarHBondContact O-OG1 2.9Å; A379-T382 PolarHBondContact O-OG1 3.29Å; F380-T382 VanDerWaalsContact C-N 3.32Å; F380-T382 PolarHBondContact O-N 3.08Å; T382-N386 WeakPolarHBondContact O-CB 3.44Å; T382-N386 PolarHBondContact O-N 3.43Å; T382-F414 HydrophobicContact CG2-CZ 4.06Å; T382-F414 WeakPolarHBondContact O-CE1 3.45Å; T382-T417 WeakPolarHBondContact CG2-OG1 3.43Å; T382-N424 PolarHBondContact OG1-ND2 3.34Å; T382-N424 PolarHBondContact OG1-OD1 2.6Å
383W98.8Very high98.3Very high86 Ų8619.1 Ų19.133%0.32610%0.096SC..Hα-helixtrans-63-45.7175.6-84.8-31.4000113.1A379 F380 N386 S387 N424 M428A379-W383 PolarHBondContact O-N 2.99Å; A379-W383 VanDerWaalsContact O-N 3.13Å; F380-W383 PolarHBondContact O-N 3.19Å; W383-N386 PolarHBondContact O-N 3.34Å; W383-S387 PolarHBondContact O-N 3.01Å; W383-S387 PolarHBondContact O-OG 2.76Å; W383-N424 VanDerWaalsContact CD1-ND2 3.26Å; W383-N424 HydrophobicContact CD2-CB 3.82Å; W383-N424 HydrophobicContact CE3-CB 4.22Å; W383-N424 HydrophobicContact CH2-CB 3.7Å; W383-N424 HydrophobicContact CZ2-CB 3.22Å; W383-N424 HydrophobicContact CZ3-CB 4.17Å; W383-N424 PolarHBondContact NE1-ND2 2.92Å; W383-M428 HydrophobicContact CE3-CE 3.97Å; W383-M428 HydrophobicContact CH2-CG 4.2Å; W383-M428 HydrophobicContact CZ3-CE 3.76Å; W383-M428 HydrophobicContact CZ3-CG 3.74Å
384E98.8Very high98.5Very high80 Ų8024 Ų2437%0.37412%0.12SC..Hα-helixtrans-64.2-45.9179.2-71.6-59.2132.300111.3M337 F341 F380 N386 S387 A388M337-E384 HydrophobicContact CE-CB 4.17Å; M337-E384 HydrophobicContact SD-CB 3.73Å; M337-E384 HydrophobicContact SD-CG 4.36Å; F341-E384 HydrophobicContact CE2-CB 3.94Å; F341-E384 HydrophobicContact CZ-CB 3.74Å; F341-E384 HydrophobicContact CZ-CG 4.26Å; F380-E384 HydrophobicContact CE1-CG 4.27Å; F380-E384 HydrophobicContact CE2-CG 4.35Å; F380-E384 HydrophobicContact CZ-CG 4.15Å; F380-E384 WeakPolarHBondContact O-CG 3.49Å; F380-E384 PolarHBondContact O-N 2.95Å; F380-E384 VanDerWaalsContact O-N 3.14Å; E384-N386 PolarHBondContact O-N 3.32Å; E384-S387 PolarHBondContact O-N 2.97Å; E384-A388 VanDerWaalsContact O-CB 3.25Å; E384-A388 WeakPolarHBondContact O-CB 3.46Å; E384-A388 PolarHBondContact O-N 3.34Å
385T98.9Very high98.6Very high0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-63.6-43.3177.1-610000111.6S289 A292 L293 F341 T381 S387 A388 I389 F414S289-T385 WeakPolarHBondContact CB-OG1 3.39Å; S289-T385 WeakPolarHBondContact O-CG2 3.4Å; S289-T385 PolarHBondContact O-OG1 3.4Å; A292-T385 HydrophobicContact CB-CG2 4.22Å; L293-T385 HydrophobicContact CB-CG2 3.95Å; F341-T385 WeakPolarHBondContact CE2-OG1 3.32Å; T381-T385 WeakPolarHBondContact O-CB 3.28Å; T381-T385 PolarHBondContact O-N 2.8Å; T381-T385 PolarHBondContact O-OG1 2.86Å; T385-S387 VanDerWaalsContact C-N 3.3Å; T385-S387 PolarHBondContact O-N 3.23Å; T385-A388 PolarHBondContact O-N 3.15Å; T385-A388 VanDerWaalsContact O-N 3.11Å; T385-I389 HydrophobicContact CG2-CD1 3.8Å; T385-I389 HydrophobicContact CG2-CG1 4.13Å; T385-I389 VanDerWaalsContact O-CG1 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.26Å; T385-I389 PolarHBondContact O-N 3.26Å; T385-F414 HydrophobicContact CG2-CD1 3.93Å; T385-F414 HydrophobicContact CG2-CD2 4.47Å; T385-F414 HydrophobicContact CG2-CE1 3.41Å; T385-F414 VanDerWaalsContact CG2-CE1 3.41Å; T385-F414 HydrophobicContact CG2-CE2 4.03Å; T385-F414 HydrophobicContact CG2-CG 4.42Å; T385-F414 HydrophobicContact CG2-CZ 3.45Å; T385-F414 VanDerWaalsContact CG2-CZ 3.45Å
386N98.8Very high98.8Very high23 Ų2324.3 Ų24.312%0.12312%0.122CC..Hα-helixtrans-57.2-45179.9-176.483000111.5T382 W383 E384 Y411 F414 T415T382-N386 WeakPolarHBondContact O-CB 3.44Å; T382-N386 PolarHBondContact O-N 3.43Å; W383-N386 PolarHBondContact O-N 3.34Å; E384-N386 PolarHBondContact O-N 3.32Å; N386-Y411 WeakPolarHBondContact O-CE2 3.35Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.43Å; N386-F414 HydrophobicContact CB-CD1 4.41Å; N386-F414 HydrophobicContact CB-CE1 4.24Å; N386-T415 WeakPolarHBondContact OD1-CA 3.43Å; N386-T415 WeakPolarHBondContact OD1-CB 3.15Å; N386-T415 PolarHBondContact OD1-OG1 3.44Å
387S98.6Very high98.8Very high73 Ų7326.4 Ų26.451%0.5114%0.144SC..Hα-helixtrans-68.6-39.6176.7-560000112W383 E384 T385 E390 V391W383-S387 PolarHBondContact O-N 3.01Å; W383-S387 PolarHBondContact O-OG 2.76Å; E384-S387 PolarHBondContact O-N 2.97Å; T385-S387 VanDerWaalsContact C-N 3.3Å; T385-S387 PolarHBondContact O-N 3.23Å; S387-E390 PolarHBondContact O-N 3.1Å; S387-V391 PolarHBondContact O-N 3.05Å; S387-V391 VanDerWaalsContact O-N 3.17Å
388A98.9Very high98.8Very high1 Ų129.6 Ų29.61%0.00818%0.177CC..Hα-helixtrans-67.1-36.8-178.100000113.9L293 L334 M337 E384 T385 E390 V391 C392L293-A388 HydrophobicContact CD1-CB 3.44Å; L293-A388 VanDerWaalsContact CD1-CB 3.44Å; L334-A388 HydrophobicContact CD1-CB 4.02Å; L334-A388 HydrophobicContact CD2-CB 3.65Å; L334-A388 HydrophobicContact CG-CB 4.27Å; M337-A388 HydrophobicContact CE-CB 3.55Å; E384-A388 VanDerWaalsContact O-CB 3.25Å; E384-A388 WeakPolarHBondContact O-CB 3.46Å; E384-A388 PolarHBondContact O-N 3.34Å; T385-A388 PolarHBondContact O-N 3.15Å; T385-A388 VanDerWaalsContact O-N 3.11Å; A388-E390 VanDerWaalsContact C-N 3.29Å; A388-E390 PolarHBondContact O-N 3.4Å; A388-V391 PolarHBondContact O-N 3.46Å; A388-C392 PolarHBondContact O-N 3.33Å; A388-C392 PolarHBondContact O-SG 3.42Å
389I98.9Very high98.8Very high0 Ų032.3 Ų32.30%019%0.189CC..Hα-helixtrans-58.2-45.1174.8-65.4161.8000109.9A292 T385 V391 C392 R393 I410 Y411 F414A292-I389 HydrophobicContact CB-CD1 4.26Å; T385-I389 HydrophobicContact CG2-CD1 3.8Å; T385-I389 HydrophobicContact CG2-CG1 4.13Å; T385-I389 VanDerWaalsContact O-CG1 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.26Å; T385-I389 PolarHBondContact O-N 3.26Å; I389-V391 PolarHBondContact O-N 3.19Å; I389-C392 WeakPolarHBondContact O-CB 3.49Å; I389-C392 PolarHBondContact O-N 3.08Å; I389-C392 VanDerWaalsContact O-N 3.17Å; I389-R393 PolarHBondContact O-N 3.36Å; I389-I410 HydrophobicContact CD1-CG2 4.09Å; I389-I410 HydrophobicContact CG1-CG2 4.34Å; I389-I410 HydrophobicContact CG2-CG2 4.22Å; I389-Y411 HydrophobicContact CB-CD2 4.25Å; I389-Y411 HydrophobicContact CG2-CD2 4.13Å; I389-Y411 HydrophobicContact CG2-CG 4.43Å; I389-F414 HydrophobicContact CD1-CB 3.77Å; I389-F414 HydrophobicContact CD1-CD1 3.54Å; I389-F414 HydrophobicContact CD1-CE1 4.36Å; I389-F414 HydrophobicContact CD1-CG 3.73Å
390E98.8Very high98.8Very high43 Ų4332.3 Ų32.320%0.20119%0.189CC..Hα-helixtrans-67.2-35.4178.2-86.6-62.5103.400112.8S387 A388 C392 R393 M394 Y411S387-E390 PolarHBondContact O-N 3.1Å; A388-E390 VanDerWaalsContact C-N 3.29Å; A388-E390 PolarHBondContact O-N 3.4Å; E390-C392 VanDerWaalsContact C-N 3.33Å; E390-R393 VanDerWaalsContact CD-NE 3.28Å; E390-R393 WeakPolarHBondContact O-CB 3.21Å; E390-R393 PolarHBondContact O-N 2.84Å; E390-R393 VanDerWaalsContact OE1-CD 3.25Å; E390-R393 WeakPolarHBondContact OE1-CD 3.32Å; E390-R393 IonicContact OE1-CZ 2.73Å; E390-R393 IonicContact OE1-NE 3.1Å; E390-R393 PolarHBondContact OE1-NE 2.96Å; E390-R393 IonicContact OE2-CZ 3.57Å; E390-R393 VanDerWaalsContact OE2-CZ 3.32Å; E390-R393 IonicContact OE2-NE 3.46Å; E390-R393 PolarHBondContact OE2-NE 2.66Å; E390-R393 IonicContact OE2-NH2 3.55Å; E390-R393 PolarHBondContact OE2-NH2 3.11Å; E390-M394 WeakPolarHBondContact O-CE 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.11Å; E390-M394 PolarHBondContact O-N 2.99Å; E390-Y411 HydrophobicContact CG-CD2 3.83Å; E390-Y411 HydrophobicContact CG-CE1 4.47Å; E390-Y411 HydrophobicContact CG-CE2 3.64Å; E390-Y411 HydrophobicContact CG-CG 4.32Å
391V98.9Very high98.8Very high45 Ų4540.8 Ų40.827%0.27322%0.222SC..Hα-helixtrans-62.9-41.3171.7175.70000110.8K330 L334 S387 A388 I389 M394 S395K330-V391 HydrophobicContact CB-CG1 4.05Å; K330-V391 HydrophobicContact CG-CG1 4.38Å; L334-V391 HydrophobicContact CD1-CB 3.79Å; L334-V391 HydrophobicContact CD1-CG1 3.7Å; S387-V391 PolarHBondContact O-N 3.05Å; S387-V391 VanDerWaalsContact O-N 3.17Å; A388-V391 PolarHBondContact O-N 3.46Å; I389-V391 PolarHBondContact O-N 3.19Å; V391-M394 HydrophobicContact CG2-CE 4.44Å; V391-M394 PolarHBondContact O-N 3.34Å; V391-S395 VanDerWaalsContact O-CB 3.27Å; V391-S395 WeakPolarHBondContact O-CB 3.48Å; V391-S395 PolarHBondContact O-N 3.42Å; V391-S395 PolarHBondContact O-OG 3.16Å
392C98.9Very high98.8Very high0 Ų042.6 Ų42.60%024%0.235CC..Hα-helixtrans-61.3-44.1174.1-66.10000111.3A300 A388 I389 E390 S395 C396 L407A300-C392 HydrophobicContact CB-CB 3.85Å; A388-C392 PolarHBondContact O-N 3.33Å; A388-C392 PolarHBondContact O-SG 3.42Å; I389-C392 WeakPolarHBondContact O-CB 3.49Å; I389-C392 PolarHBondContact O-N 3.08Å; I389-C392 VanDerWaalsContact O-N 3.17Å; E390-C392 VanDerWaalsContact C-N 3.33Å; C392-S395 PolarHBondContact O-N 3.18Å; C392-C396 PolarHBondContact O-N 2.87Å; C392-C396 PolarHBondContact O-SG 3.48Å; C392-C396 VanDerWaalsContact O-SG 3.39Å; C392-L407 HydrophobicContact CB-CD2 4.1Å
393R98.9Very high98.8Very high42 Ų4246.8 Ų46.816%0.15825%0.251CS..Hα-helixtrans-58.1-52.9176.2-166.4-165.158.570.92.2112I389 E390 S395 C396 G400 L407I389-R393 PolarHBondContact O-N 3.36Å; E390-R393 VanDerWaalsContact CD-NE 3.28Å; E390-R393 WeakPolarHBondContact O-CB 3.21Å; E390-R393 PolarHBondContact O-N 2.84Å; E390-R393 VanDerWaalsContact OE1-CD 3.25Å; E390-R393 WeakPolarHBondContact OE1-CD 3.32Å; E390-R393 IonicContact OE1-CZ 2.73Å; E390-R393 IonicContact OE1-NE 3.1Å; E390-R393 PolarHBondContact OE1-NE 2.96Å; E390-R393 IonicContact OE2-CZ 3.57Å; E390-R393 VanDerWaalsContact OE2-CZ 3.32Å; E390-R393 IonicContact OE2-NE 3.46Å; E390-R393 PolarHBondContact OE2-NE 2.66Å; E390-R393 IonicContact OE2-NH2 3.55Å; E390-R393 PolarHBondContact OE2-NH2 3.11Å; R393-S395 PolarHBondContact O-N 3.49Å; R393-C396 PolarHBondContact O-N 3.17Å; R393-C396 VanDerWaalsContact O-N 3.12Å; R393-G400 WeakPolarHBondContact CG-O 3.42Å; R393-L407 HydrophobicContact CB-CB 3.97Å; R393-L407 HydrophobicContact CB-CD1 4.35Å; R393-L407 HydrophobicContact CG-CB 3.91Å
394M98.9Very high98.7Very high106 Ų10642.9 Ų42.952%0.52224%0.237SC..Hα-helixtrans-64.6-29.3179.2-69.4-173.9-71.900112.6E390 V391 C396 G397E390-M394 WeakPolarHBondContact O-CE 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.11Å; E390-M394 PolarHBondContact O-N 2.99Å; V391-M394 HydrophobicContact CG2-CE 4.44Å; V391-M394 PolarHBondContact O-N 3.34Å; M394-C396 PolarHBondContact O-N 2.89Å; M394-G397 PolarHBondContact O-N 3.05Å; M394-G397 VanDerWaalsContact O-N 3.14Å
395S98.9Very high98.7Very high5 Ų539 Ų394%0.03522%0.219CC..Hα-helixtrans-70.1-14.3177-59.90000113.2Q327 V391 C392 R393Q327-S395 PolarHBondContact NE2-O 3.43Å; V391-S395 VanDerWaalsContact O-CB 3.27Å; V391-S395 WeakPolarHBondContact O-CB 3.48Å; V391-S395 PolarHBondContact O-N 3.42Å; V391-S395 PolarHBondContact O-OG 3.16Å; C392-S395 PolarHBondContact O-N 3.18Å; R393-S395 PolarHBondContact O-N 3.49Å
396C98.9Very high98.6Very high3 Ų339.2 Ų39.22%0.0222%0.22CC..THydrogen-bonded Turntrans-91.75.8172.6-59.50000113.4Y303 C392 R393 M394 G400 L407 L621Y303-C396 HydrophobicContact CD1-CB 3.81Å; Y303-C396 HydrophobicContact CE1-CB 4.02Å; Y303-C396 WeakPolarHBondContact CE1-O 3.35Å; C392-C396 PolarHBondContact O-N 2.87Å; C392-C396 PolarHBondContact O-SG 3.48Å; C392-C396 VanDerWaalsContact O-SG 3.39Å; R393-C396 PolarHBondContact O-N 3.17Å; R393-C396 VanDerWaalsContact O-N 3.12Å; M394-C396 PolarHBondContact O-N 2.89Å; C396-G400 PolarHBondContact O-N 3.02Å; C396-L407 HydrophobicContact CB-CD1 4.5Å; C396-L621 HydrophobicContact CB-CD1 4.19Å
397G98.7Very high98.6Very high44 Ų4438.1 Ų38.145%0.45421%0.214SC..G310 helixtrans61-146.2-179.500000113M394 H399 G400M394-G397 PolarHBondContact O-N 3.05Å; M394-G397 VanDerWaalsContact O-N 3.14Å; G397-H399 VanDerWaalsContact C-N 3.29Å; G397-H399 PolarHBondContact O-N 2.95Å; G397-G400 PolarHBondContact O-N 3.36Å; G397-G400 VanDerWaalsContact O-N 3.14Å
398G98.7Very high98.6Very high67 Ų6735.5 Ų35.569%0.69120%0.195SC*.G310 helixtrans-59.3-36.7-179.600000113.6G400 Y401G398-G400 VanDerWaalsContact C-N 3.26Å; G398-G400 PolarHBondContact O-N 3.13Å; G398-Y401 WeakPolarHBondContact O-CB 3.48Å; G398-Y401 PolarHBondContact O-N 3.43Å; G398-Y401 VanDerWaalsContact O-N 3.07Å
399H98.9Very high98.6Very high57 Ų5736.3 Ų36.326%0.26420%0.2SC..G310 helixtrans-66.3-28.8179-59.2159.7000112.4Y303 G397 Y401 S402 L621 M632Y303-H399 AromaticContact CZ-ND1 3.77Å; Y303-H399 PolarHBondContact OH-ND1 3.42Å; G397-H399 VanDerWaalsContact C-N 3.29Å; G397-H399 PolarHBondContact O-N 2.95Å; H399-Y401 PolarHBondContact O-N 3.16Å; H399-S402 WeakPolarHBondContact O-CB 3.37Å; H399-S402 PolarHBondContact O-N 3.36Å; H399-S402 VanDerWaalsContact O-N 3.13Å; H399-L621 HydrophobicContact CB-CD1 3.78Å; H399-L621 HydrophobicContact CB-CD2 4.17Å; H399-M632 HydrophobicContact CB-SD 4.45Å
400G98.7Very high98.5Very high0 Ų037.2 Ų37.20%020%0.204CC..G310 helixtrans-63.6-21.117300000114.2R393 C396 G397 G398 S405R393-G400 WeakPolarHBondContact CG-O 3.42Å; C396-G400 PolarHBondContact O-N 3.02Å; G397-G400 PolarHBondContact O-N 3.36Å; G397-G400 VanDerWaalsContact O-N 3.14Å; G398-G400 VanDerWaalsContact C-N 3.26Å; G398-G400 PolarHBondContact O-N 3.13Å; G400-S405 PolarHBondContact O-OG 3.39Å; G400-S405 VanDerWaalsContact O-OG 3.12Å
401Y98.8Very high98.5Very high181 Ų18137.3 Ų37.371%0.7120%0.203SC*.G310 helixtrans-78.1-24.5175.4-168.3-107.4000112.7G398 H399G398-Y401 WeakPolarHBondContact O-CB 3.48Å; G398-Y401 PolarHBondContact O-N 3.43Å; G398-Y401 VanDerWaalsContact O-N 3.07Å; H399-Y401 PolarHBondContact O-N 3.16Å
402S98.6Very high98.5Very high39 Ų3935.4 Ų35.427%0.27319%0.191SC..SBendtrans-71.3144176.4178.10000111.1H399 S404 S405H399-S402 WeakPolarHBondContact O-CB 3.37Å; H399-S402 PolarHBondContact O-N 3.36Å; H399-S402 VanDerWaalsContact O-N 3.13Å; S402-S404 WeakPolarHBondContact CB-OG 3.31Å; S402-S404 PolarHBondContact O-N 3.14Å; S402-S404 PolarHBondContact OG-N 2.98Å; S402-S404 PolarHBondContact OG-OG 3.04Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.29Å; S402-S405 PolarHBondContact O-OG 3.18Å
403R97.7Very high98.4Very high88 Ų8836.3 Ų36.333%0.33220%0.196SC..G310 helixtrans-62.1-20.3171.9-65.8-80179.7179.1-1.2112.4N52 S405 A406 D409 W635N52-R403 HydrophobicContact CB-CB 4.22Å; N52-R403 WeakPolarHBondContact OD1-CD 3.24Å; R403-S405 PolarHBondContact O-N 3.48Å; R403-S405 VanDerWaalsContact O-N 3.1Å; R403-A406 PolarHBondContact O-N 3.34Å; R403-D409 VanDerWaalsContact CD-OD1 3.3Å; R403-D409 WeakPolarHBondContact CD-OD1 3.3Å; R403-D409 IonicContact CZ-OD1 3.01Å; R403-D409 IonicContact NE-OD1 2.73Å; R403-D409 IonicContact NH1-OD1 3.3Å; R403-D409 PolarHBondContact NH1-OD1 3.25Å; R403-W635 HydrophobicContact CB-CH2 4.24Å; R403-W635 HydrophobicContact CB-CZ2 4.29Å
404S97.6Very high98.3Very high3 Ų334.7 Ų34.72%0.02119%0.19CC..G310 helixtrans-59.2-19.9170.364.30000113.8S402 V620S402-S404 WeakPolarHBondContact CB-OG 3.31Å; S402-S404 PolarHBondContact O-N 3.14Å; S402-S404 PolarHBondContact OG-N 2.98Å; S402-S404 PolarHBondContact OG-OG 3.04Å; S404-V620 WeakPolarHBondContact O-CB 3.38Å; S404-V620 PolarHBondContact O-N 3.44Å
405S98.4Very high98.3Very high0 Ų031 Ų310%017%0.173CC..G310 helixtrans-79.4-16.4172.872.30000113.9I299 G400 S402 R403 L407 P408 S619I299-S405 WeakPolarHBondContact CD1-O 3.27Å; G400-S405 PolarHBondContact O-OG 3.39Å; G400-S405 VanDerWaalsContact O-OG 3.12Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.29Å; S402-S405 PolarHBondContact O-OG 3.18Å; R403-S405 PolarHBondContact O-N 3.48Å; R403-S405 VanDerWaalsContact O-N 3.1Å; S405-L407 PolarHBondContact O-N 2.99Å; S405-L407 PolarHBondContact OG-N 2.89Å; S405-P408 WeakPolarHBondContact OG-CD 3.39Å; S405-S619 VanDerWaalsContact C-OG 3.25Å; S405-S619 WeakPolarHBondContact O-CB 3.5Å; S405-S619 PolarHBondContact O-OG 3.16Å
406A98.1Very high98.3Very high3 Ų332.5 Ų32.53%0.02518%0.183CC..SBendtrans61-13.3-166.400000116.1I299 R403 D409 I410 N618I299-A406 HydrophobicContact CD1-CB 4.18Å; R403-A406 PolarHBondContact O-N 3.34Å; A406-D409 WeakPolarHBondContact O-CB 3.29Å; A406-D409 PolarHBondContact O-N 2.95Å; A406-D409 VanDerWaalsContact O-N 3.09Å; A406-I410 HydrophobicContact CB-CD1 4.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.49Å; A406-I410 PolarHBondContact O-N 3.36Å; A406-N618 WeakPolarHBondContact CB-O 3.5Å
407L98.6Very high98.2Very high0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-62.6-40.1-175.9-68.5163.4000112.9I299 C392 R393 C396 S405 D409 I410 Y411I299-L407 HydrophobicContact CB-CD1 4.49Å; I299-L407 HydrophobicContact CB-CD2 4.37Å; I299-L407 HydrophobicContact CB-CG 4.46Å; I299-L407 HydrophobicContact CD1-CD2 4.1Å; I299-L407 HydrophobicContact CD1-CG 4.24Å; I299-L407 HydrophobicContact CG2-CD1 3.85Å; I299-L407 HydrophobicContact CG2-CG 4.09Å; C392-L407 HydrophobicContact CB-CD2 4.1Å; R393-L407 HydrophobicContact CB-CB 3.97Å; R393-L407 HydrophobicContact CB-CD1 4.35Å; R393-L407 HydrophobicContact CG-CB 3.91Å; C396-L407 HydrophobicContact CB-CD1 4.5Å; S405-L407 PolarHBondContact O-N 2.99Å; S405-L407 PolarHBondContact OG-N 2.89Å; L407-D409 VanDerWaalsContact C-N 3.33Å; L407-D409 PolarHBondContact O-N 2.8Å; L407-I410 PolarHBondContact O-N 3.06Å; L407-Y411 WeakPolarHBondContact O-CB 3.48Å; L407-Y411 PolarHBondContact O-N 3.2Å
408P98.6Very high98.2Very high18 Ų1831.1 Ų31.112%0.11717%0.166CC..Hα-helixtrans-60.5-40171.3-2433.6000113.1S405 Y411 V412S405-P408 WeakPolarHBondContact OG-CD 3.39Å; P408-Y411 PolarHBondContact O-N 3.18Å; P408-V412 WeakPolarHBondContact O-CG1 3.44Å; P408-V412 WeakPolarHBondContact O-CG2 3.43Å; P408-V412 PolarHBondContact O-N 3.4Å
409D97.3Very high98.2Very high19 Ų1932.6 Ų32.610%0.10216%0.162CC..Hα-helixtrans-65.1-51177.2-66.5-46.7000110.5N52 R403 A406 L407 Y411 V412 E413N52-D409 PolarHBondContact ND2-OD2 3.1Å; N52-D409 PolarHBondContact OD1-OD1 2.93Å; N52-D409 PolarHBondContact OD1-OD2 3.1Å; R403-D409 VanDerWaalsContact CD-OD1 3.3Å; R403-D409 WeakPolarHBondContact CD-OD1 3.3Å; R403-D409 IonicContact CZ-OD1 3.01Å; R403-D409 IonicContact NE-OD1 2.73Å; R403-D409 IonicContact NH1-OD1 3.3Å; R403-D409 PolarHBondContact NH1-OD1 3.25Å; A406-D409 WeakPolarHBondContact O-CB 3.29Å; A406-D409 PolarHBondContact O-N 2.95Å; A406-D409 VanDerWaalsContact O-N 3.09Å; L407-D409 VanDerWaalsContact C-N 3.33Å; L407-D409 PolarHBondContact O-N 2.8Å; D409-Y411 PolarHBondContact O-N 3.49Å; D409-V412 WeakPolarHBondContact O-CG2 3.47Å; D409-V412 PolarHBondContact O-N 3.29Å; D409-E413 WeakPolarHBondContact O-CB 3.35Å; D409-E413 VanDerWaalsContact O-CG 3.29Å; D409-E413 WeakPolarHBondContact O-CG 3.49Å; D409-E413 PolarHBondContact O-N 3.38Å
410I98.3Very high98Very high18 Ų1834.1 Ų34.19%0.09217%0.166CC..Hα-helixtrans-54.9-42.5177.3-65.2163.8000110.7A292 K295 I299 I389 A406 L407 F414A292-I410 HydrophobicContact CB-CG2 4.25Å; K295-I410 HydrophobicContact CB-CD1 3.98Å; I299-I410 HydrophobicContact CD1-CD1 3.6Å; I389-I410 HydrophobicContact CD1-CG2 4.09Å; I389-I410 HydrophobicContact CG1-CG2 4.34Å; I389-I410 HydrophobicContact CG2-CG2 4.22Å; A406-I410 HydrophobicContact CB-CD1 4.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.49Å; A406-I410 PolarHBondContact O-N 3.36Å; L407-I410 PolarHBondContact O-N 3.06Å; I410-F414 WeakPolarHBondContact O-CB 3.03Å; I410-F414 PolarHBondContact O-N 2.93Å
411Y98.6Very high97.7Very high46 Ų4636 Ų3618%0.1818%0.175CC..Hα-helixtrans-64.2-51.6178.4-177.9-107.7000112.6F230 N386 I389 E390 L407 P408 D409 E413 F414 T415F230-Y411 HydrophobicContact CE1-CD1 4.31Å; F230-Y411 AromaticContact CE1-CE1 3.83Å; F230-Y411 HydrophobicContact CE1-CE1 3.83Å; F230-Y411 HydrophobicContact CZ-CD1 4.32Å; F230-Y411 HydrophobicContact CZ-CE1 4.04Å; N386-Y411 WeakPolarHBondContact O-CE2 3.35Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.43Å; I389-Y411 HydrophobicContact CB-CD2 4.25Å; I389-Y411 HydrophobicContact CG2-CD2 4.13Å; I389-Y411 HydrophobicContact CG2-CG 4.43Å; E390-Y411 HydrophobicContact CG-CD2 3.83Å; E390-Y411 HydrophobicContact CG-CE1 4.47Å; E390-Y411 HydrophobicContact CG-CE2 3.64Å; E390-Y411 HydrophobicContact CG-CG 4.32Å; L407-Y411 WeakPolarHBondContact O-CB 3.48Å; L407-Y411 PolarHBondContact O-N 3.2Å; P408-Y411 PolarHBondContact O-N 3.18Å; D409-Y411 PolarHBondContact O-N 3.49Å; Y411-E413 VanDerWaalsContact C-N 3.29Å; Y411-E413 PolarHBondContact O-N 3.03Å; Y411-F414 PolarHBondContact O-N 2.83Å; Y411-T415 WeakPolarHBondContact O-CB 3.25Å; Y411-T415 PolarHBondContact O-N 3.44Å
412V97.9Very high97.4Very high4 Ų428.4 Ų28.42%0.02415%0.151CC..Hα-helixtrans-70.9-25.9-175.6-58.90000113F230 P408 D409 P416F230-V412 HydrophobicContact CD1-CG1 4.23Å; F230-V412 HydrophobicContact CD2-CB 4.48Å; F230-V412 HydrophobicContact CD2-CG1 3.7Å; F230-V412 HydrophobicContact CE1-CG1 4.08Å; F230-V412 HydrophobicContact CE2-CG1 3.53Å; F230-V412 HydrophobicContact CG-CB 4.46Å; F230-V412 HydrophobicContact CG-CG1 4.06Å; F230-V412 HydrophobicContact CZ-CG1 3.73Å; P408-V412 WeakPolarHBondContact O-CG1 3.44Å; P408-V412 WeakPolarHBondContact O-CG2 3.43Å; P408-V412 PolarHBondContact O-N 3.4Å; D409-V412 WeakPolarHBondContact O-CG2 3.47Å; D409-V412 PolarHBondContact O-N 3.29Å; V412-P416 WeakPolarHBondContact O-CD 2.99Å
413E96.9Very high97.4Very high19 Ų1929.2 Ų29.29%0.08915%0.151CC..Hα-helixtrans-82.1-24.6172.4-60.7-46.2139.900112.8P97 F232 D409 Y411P97-E413 WeakPolarHBondContact CD-OE2 3.27Å; P97-E413 VanDerWaalsContact CG-OE2 3.31Å; P97-E413 WeakPolarHBondContact CG-OE2 3.29Å; F232-E413 VanDerWaalsContact CA-OE2 3.25Å; F232-E413 WeakPolarHBondContact CA-OE2 3.46Å; F232-E413 WeakPolarHBondContact CD2-OE2 3.24Å; F232-E413 WeakPolarHBondContact CE2-O 3.38Å; F232-E413 PolarHBondContact N-OE1 2.69Å; F232-E413 PolarHBondContact N-OE2 2.77Å; D409-E413 WeakPolarHBondContact O-CB 3.35Å; D409-E413 VanDerWaalsContact O-CG 3.29Å; D409-E413 WeakPolarHBondContact O-CG 3.49Å; D409-E413 PolarHBondContact O-N 3.38Å; Y411-E413 VanDerWaalsContact C-N 3.29Å; Y411-E413 PolarHBondContact O-N 3.03Å
414F98.1Very high97.4Very high9 Ų925 Ų254%0.03914%0.135CC..Hα-helixtrans-89.5-39.8179.1-178.2-98000113S289 A292 T382 T385 N386 I389 I410 Y411 P416 T417S289-F414 VanDerWaalsContact CA-CE2 3.48Å; S289-F414 WeakPolarHBondContact OG-CZ 3.32Å; A292-F414 HydrophobicContact CB-CB 4.3Å; A292-F414 HydrophobicContact CB-CD2 3.49Å; A292-F414 VanDerWaalsContact CB-CD2 3.49Å; A292-F414 HydrophobicContact CB-CE2 4.02Å; A292-F414 HydrophobicContact CB-CG 3.95Å; T382-F414 HydrophobicContact CG2-CZ 4.06Å; T382-F414 WeakPolarHBondContact O-CE1 3.45Å; T385-F414 HydrophobicContact CG2-CD1 3.93Å; T385-F414 HydrophobicContact CG2-CD2 4.47Å; T385-F414 HydrophobicContact CG2-CE1 3.41Å; T385-F414 VanDerWaalsContact CG2-CE1 3.41Å; T385-F414 HydrophobicContact CG2-CE2 4.03Å; T385-F414 HydrophobicContact CG2-CG 4.42Å; T385-F414 HydrophobicContact CG2-CZ 3.45Å; T385-F414 VanDerWaalsContact CG2-CZ 3.45Å; N386-F414 HydrophobicContact CB-CD1 4.41Å; N386-F414 HydrophobicContact CB-CE1 4.24Å; I389-F414 HydrophobicContact CD1-CB 3.77Å; I389-F414 HydrophobicContact CD1-CD1 3.54Å; I389-F414 HydrophobicContact CD1-CE1 4.36Å; I389-F414 HydrophobicContact CD1-CG 3.73Å; I410-F414 WeakPolarHBondContact O-CB 3.03Å; I410-F414 PolarHBondContact O-N 2.93Å; Y411-F414 PolarHBondContact O-N 2.83Å; F414-P416 VanDerWaalsContact C-N 3.3Å; F414-P416 WeakPolarHBondContact O-CD 3.34Å; F414-P416 VanDerWaalsContact O-N 3.1Å; F414-T417 HydrophobicContact CD2-CG2 4.1Å; F414-T417 HydrophobicContact CE2-CG2 4.04Å; F414-T417 WeakPolarHBondContact CZ-OG1 3.46Å; F414-T417 VanDerWaalsContact O-CB 3.26Å; F414-T417 WeakPolarHBondContact O-CB 3.46Å; F414-T417 WeakPolarHBondContact O-CG2 3.38Å; F414-T417 PolarHBondContact O-N 2.95Å; F414-T417 PolarHBondContact O-OG1 3.17Å
415T98.5Very high97.5Very high28 Ų2827.6 Ų27.617%0.17215%0.15CC..G310 helixtrans-53.6-33.7-170.6-162.40000115.3F230 N386 Y411 T417 C418F230-T415 HydrophobicContact CD1-CG2 4.09Å; F230-T415 HydrophobicContact CE1-CG2 4.36Å; N386-T415 WeakPolarHBondContact OD1-CA 3.43Å; N386-T415 WeakPolarHBondContact OD1-CB 3.15Å; N386-T415 PolarHBondContact OD1-OG1 3.44Å; Y411-T415 WeakPolarHBondContact O-CB 3.25Å; Y411-T415 PolarHBondContact O-N 3.44Å; T415-T417 PolarHBondContact O-N 3.36Å; T415-T417 VanDerWaalsContact O-N 3.1Å; T415-C418 WeakPolarHBondContact O-CB 3.42Å; T415-C418 PolarHBondContact O-N 3.28Å
416P98Very high97.5Very high37 Ų3729.8 Ų29.824%0.2416%0.163CC..G310 helixtrans-63.6-18.6177.9-23.338000113.9F232 V412 F414 C418 T419 Y420F232-P416 HydrophobicContact CD2-CG 3.91Å; F232-P416 HydrophobicContact CE2-CB 4.17Å; F232-P416 HydrophobicContact CE2-CG 3.69Å; V412-P416 WeakPolarHBondContact O-CD 2.99Å; F414-P416 VanDerWaalsContact C-N 3.3Å; F414-P416 WeakPolarHBondContact O-CD 3.34Å; F414-P416 VanDerWaalsContact O-N 3.1Å; P416-C418 PolarHBondContact O-N 3.48Å; P416-C418 VanDerWaalsContact O-N 3.16Å; P416-T419 PolarHBondContact O-N 3.29Å; P416-Y420 VanDerWaalsContact C-CD1 3.48Å; P416-Y420 HydrophobicContact CB-CD1 3.82Å; P416-Y420 HydrophobicContact CB-CE1 3.84Å; P416-Y420 WeakPolarHBondContact O-CD1 3.11Å; P416-Y420 PolarHBondContact O-N 3.27Å
417T97.6Very high97.4Very high3 Ų330 Ų302%0.01816%0.164CC..G310 helixtrans-57.9-24.5172.362.10000112.4I285 K378 T382 F414 T415 T419 Y420I285-T417 HydrophobicContact CG2-CG2 4.29Å; K378-T417 WeakPolarHBondContact CE-O 3.13Å; K378-T417 PolarHBondContact NZ-O 2.72Å; T382-T417 WeakPolarHBondContact CG2-OG1 3.43Å; F414-T417 HydrophobicContact CD2-CG2 4.1Å; F414-T417 HydrophobicContact CE2-CG2 4.04Å; F414-T417 WeakPolarHBondContact CZ-OG1 3.46Å; F414-T417 VanDerWaalsContact O-CB 3.26Å; F414-T417 WeakPolarHBondContact O-CB 3.46Å; F414-T417 WeakPolarHBondContact O-CG2 3.38Å; F414-T417 PolarHBondContact O-N 2.95Å; F414-T417 PolarHBondContact O-OG1 3.17Å; T415-T417 PolarHBondContact O-N 3.36Å; T415-T417 VanDerWaalsContact O-N 3.1Å; T417-T419 PolarHBondContact O-N 3.4Å; T417-Y420 HydrophobicContact CG2-CE1 4.26Å; T417-Y420 HydrophobicContact CG2-CE2 4.11Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.46Å
418C98.6Very high97.5Very high14 Ų1430 Ų3010%0.09516%0.164CC..G310 helixtrans-70.9-14.7174.4-59.30000113.1T415 P416 N424T415-C418 WeakPolarHBondContact O-CB 3.42Å; T415-C418 PolarHBondContact O-N 3.28Å; P416-C418 PolarHBondContact O-N 3.48Å; P416-C418 VanDerWaalsContact O-N 3.16Å; C418-N424 WeakPolarHBondContact CA-ND2 3.48Å; C418-N424 PolarHBondContact O-N 3.13Å; C418-N424 PolarHBondContact O-OD1 2.9Å; C418-N424 VanDerWaalsContact O-OD1 3.06Å
419T98.1Very high97.4Very high99 Ų9930.5 Ų30.561%0.60717%0.166SC*.THydrogen-bonded Turntrans-115.5-51.5-171.9-520000112.1P416 T417 G422 E423P416-T419 PolarHBondContact O-N 3.29Å; T417-T419 PolarHBondContact O-N 3.4Å; T419-G422 CarbonylContact O-C 3.5Å; T419-E423 PolarHBondContact O-N 3.33Å
420Y94.5Very high97.4Very high88 Ų8831.9 Ų31.935%0.34517%0.172SC..THydrogen-bonded Turntrans-72.9164.5179.766.1-123.6000111.8F232 I285 K378 P416 T417 G422F232-Y420 HydrophobicContact CZ-CE1 4.2Å; I285-Y420 HydrophobicContact CD1-CD2 3.97Å; I285-Y420 HydrophobicContact CD1-CE2 3.55Å; I285-Y420 HydrophobicContact CG1-CE2 4.06Å; K378-Y420 WeakPolarHBondContact CE-O 3.47Å; K378-Y420 PolarHBondContact NZ-O 2.89Å; P416-Y420 VanDerWaalsContact C-CD1 3.48Å; P416-Y420 HydrophobicContact CB-CD1 3.82Å; P416-Y420 HydrophobicContact CB-CE1 3.84Å; P416-Y420 WeakPolarHBondContact O-CD1 3.11Å; P416-Y420 PolarHBondContact O-N 3.27Å; T417-Y420 HydrophobicContact CG2-CE1 4.26Å; T417-Y420 HydrophobicContact CG2-CE2 4.11Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.46Å; Y420-G422 PolarHBondContact O-N 3.15Å
421E92.2Very high97.4Very high41 Ų4131 Ų3119%0.19217%0.167CC..THydrogen-bonded Turntrans56.125-171.7-63.6-51.4135.200114.3M278 V281 R282 I285M278-E421 VanDerWaalsContact CG-OE2 3.24Å; M278-E421 WeakPolarHBondContact CG-OE2 3.48Å; V281-E421 HydrophobicContact CB-CG 4.05Å; V281-E421 HydrophobicContact CG1-CG 3.55Å; R282-E421 HydrophobicContact CG-CB 4.16Å; R282-E421 PolarHBondContact NE-O 2.87Å; R282-E421 PolarHBondContact NH2-O 3.43Å; I285-E421 HydrophobicContact CD1-CB 3.66Å; I285-E421 HydrophobicContact CD1-CG 3.62Å
422G93.7Very high97.4Very high20 Ų2028.9 Ų28.921%0.20616%0.159CC..SBendtrans106.3122.4179.300000111.6K378 T419 Y420 N424 M427K378-G422 PolarHBondContact NZ-O 3.21Å; T419-G422 CarbonylContact O-C 3.5Å; Y420-G422 PolarHBondContact O-N 3.15Å; G422-N424 PolarHBondContact O-N 3.15Å; G422-M427 WeakPolarHBondContact O-CG 3.44Å
423E97.9Very high97.4Very high57 Ų5735.1 Ų35.127%0.26618%0.182SC..  trans-56.7134.9175.8-174.5-76.2136.800110.1T419 T425 V426 M427T419-E423 PolarHBondContact O-N 3.33Å; E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.27Å; E423-T425 WeakPolarHBondContact OE1-CB 3.48Å; E423-T425 PolarHBondContact OE1-N 3.02Å; E423-T425 PolarHBondContact OE1-OG1 3.4Å; E423-T425 WeakPolarHBondContact OE2-CA 3.46Å; E423-T425 WeakPolarHBondContact OE2-CB 3.48Å; E423-T425 PolarHBondContact OE2-N 3Å; E423-V426 PolarHBondContact O-N 3.32Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.17Å; E423-V426 PolarHBondContact OE2-N 3.13Å; E423-M427 WeakPolarHBondContact O-CG 3.49Å; E423-M427 PolarHBondContact O-N 3.36Å
424N98.7Very high97.4Very high0 Ų036.1 Ų36.10%019%0.185CC..Hα-helixtrans-57.7-39.2-166.7-78.71.3000113.8K378 A379 T382 W383 C418 G422 M427 M428K378-N424 PolarHBondContact NZ-OD1 3.22Å; A379-N424 HydrophobicContact CB-CB 3.83Å; A379-N424 PolarHBondContact O-ND2 3.08Å; T382-N424 PolarHBondContact OG1-ND2 3.34Å; T382-N424 PolarHBondContact OG1-OD1 2.6Å; W383-N424 VanDerWaalsContact CD1-ND2 3.26Å; W383-N424 HydrophobicContact CD2-CB 3.82Å; W383-N424 HydrophobicContact CE3-CB 4.22Å; W383-N424 HydrophobicContact CH2-CB 3.7Å; W383-N424 HydrophobicContact CZ2-CB 3.22Å; W383-N424 HydrophobicContact CZ3-CB 4.17Å; W383-N424 PolarHBondContact NE1-ND2 2.92Å; C418-N424 WeakPolarHBondContact CA-ND2 3.48Å; C418-N424 PolarHBondContact O-N 3.13Å; C418-N424 PolarHBondContact O-OD1 2.9Å; C418-N424 VanDerWaalsContact O-OD1 3.06Å; G422-N424 PolarHBondContact O-N 3.15Å; N424-M427 PolarHBondContact O-N 2.73Å; N424-M428 WeakPolarHBondContact O-CG 2.96Å; N424-M428 PolarHBondContact O-N 2.97Å
425T98.7Very high97.4Very high57 Ų5735.8 Ų35.835%0.3518%0.184SC..Hα-helixtrans-63.8-44176.2-47.30000111.2E423 M427 M428 L429 V524E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.27Å; E423-T425 WeakPolarHBondContact OE1-CB 3.48Å; E423-T425 PolarHBondContact OE1-N 3.02Å; E423-T425 PolarHBondContact OE1-OG1 3.4Å; E423-T425 WeakPolarHBondContact OE2-CA 3.46Å; E423-T425 WeakPolarHBondContact OE2-CB 3.48Å; E423-T425 PolarHBondContact OE2-N 3Å; T425-M427 VanDerWaalsContact C-N 3.31Å; T425-M427 PolarHBondContact O-N 2.84Å; T425-M428 PolarHBondContact O-N 2.86Å; T425-L429 WeakPolarHBondContact O-CG 3.27Å; T425-L429 PolarHBondContact O-N 2.92Å; T425-V524 HydrophobicContact CG2-CG2 4.13Å
426V97.9Very high97.3Very high45 Ų4534.8 Ų34.827%0.27318%0.178SC..Hα-helixtrans-65-36.9176.2178.10000111.5T145 E423 L429 Q430T145-V426 HydrophobicContact CG2-CB 4.09Å; T145-V426 HydrophobicContact CG2-CG1 3.7Å; T145-V426 HydrophobicContact CG2-CG2 3.71Å; E423-V426 PolarHBondContact O-N 3.32Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.17Å; E423-V426 PolarHBondContact OE2-N 3.13Å; V426-L429 PolarHBondContact O-N 3.03Å; V426-Q430 WeakPolarHBondContact O-CB 3.45Å; V426-Q430 PolarHBondContact O-N 3.37Å
427M97.8Very high97.2Very high8 Ų838.8 Ų38.84%0.03919%0.191CC..Hα-helixtrans-65.8-42.2174.4-69-55.795.200112.1R282 A375 A379 G422 E423 N424 T425 L429 Q430 T431R282-M427 PolarHBondContact NH2-SD 3.47Å; A375-M427 HydrophobicContact CB-CB 4.12Å; A375-M427 HydrophobicContact CB-CG 4.47Å; A375-M427 HydrophobicContact CB-SD 3.83Å; A379-M427 HydrophobicContact CB-CB 4.04Å; G422-M427 WeakPolarHBondContact O-CG 3.44Å; E423-M427 WeakPolarHBondContact O-CG 3.49Å; E423-M427 PolarHBondContact O-N 3.36Å; N424-M427 PolarHBondContact O-N 2.73Å; T425-M427 VanDerWaalsContact C-N 3.31Å; T425-M427 PolarHBondContact O-N 2.84Å; M427-L429 PolarHBondContact O-N 2.98Å; M427-Q430 WeakPolarHBondContact O-CB 3.08Å; M427-Q430 PolarHBondContact O-N 2.97Å; M427-Q430 VanDerWaalsContact O-N 3.16Å; M427-T431 PolarHBondContact O-N 3.15Å; M427-T431 PolarHBondContact O-OG1 3.44Å
428M98.7Very high97.1Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-59.6-46171.3-70.7-61.2-169.200111.2A379 F380 W383 N424 T425 Q430 T431 A432 V524 S527A379-M428 HydrophobicContact CB-CE 3.79Å; A379-M428 HydrophobicContact CB-CG 4.02Å; A379-M428 HydrophobicContact CB-SD 4.1Å; F380-M428 HydrophobicContact CB-CE 3.95Å; W383-M428 HydrophobicContact CE3-CE 3.97Å; W383-M428 HydrophobicContact CH2-CG 4.2Å; W383-M428 HydrophobicContact CZ3-CE 3.76Å; W383-M428 HydrophobicContact CZ3-CG 3.74Å; N424-M428 WeakPolarHBondContact O-CG 2.96Å; N424-M428 PolarHBondContact O-N 2.97Å; T425-M428 PolarHBondContact O-N 2.86Å; M428-Q430 VanDerWaalsContact C-N 3.25Å; M428-Q430 PolarHBondContact O-N 3.42Å; M428-T431 WeakPolarHBondContact O-CB 3.3Å; M428-T431 PolarHBondContact O-N 3Å; M428-A432 WeakPolarHBondContact O-CB 3.49Å; M428-A432 PolarHBondContact O-N 2.91Å; M428-V524 HydrophobicContact CB-CB 4.41Å; M428-V524 HydrophobicContact CB-CG1 4.03Å; M428-V524 HydrophobicContact CB-CG2 4.1Å; M428-V524 HydrophobicContact CG-CG1 4.24Å; M428-S527 WeakPolarHBondContact O-CB 3.35Å; M428-S527 PolarHBondContact O-OG 3.28Å
429L98.5Very high97Very high29 Ų2938.6 Ų38.615%0.15219%0.189CC..Hα-helixtrans-62.9-31.8176.2-71.3171.3000112.7T425 V426 M427 A432 R433 W516 A520 L523 V524T425-L429 WeakPolarHBondContact O-CG 3.27Å; T425-L429 PolarHBondContact O-N 2.92Å; V426-L429 PolarHBondContact O-N 3.03Å; M427-L429 PolarHBondContact O-N 2.98Å; L429-A432 WeakPolarHBondContact O-CB 3.24Å; L429-A432 PolarHBondContact O-N 3.02Å; L429-R433 WeakPolarHBondContact O-CG 3.38Å; L429-R433 PolarHBondContact O-N 3.19Å; L429-W516 HydrophobicContact CB-CZ2 4.5Å; L429-W516 HydrophobicContact CD2-CZ2 4.24Å; L429-W516 WeakPolarHBondContact O-CZ2 3.38Å; L429-A520 HydrophobicContact CD2-CB 4.09Å; L429-L523 HydrophobicContact CD2-CB 3.98Å; L429-L523 HydrophobicContact CD2-CD1 4.41Å; L429-V524 HydrophobicContact CD2-CG2 3.89Å; L429-V524 HydrophobicContact CG-CG2 3.99Å
430Q96.5Very high96.8Very high48 Ų4838.3 Ų38.322%0.22418%0.176CC..Hα-helixtrans-67.3-43.9174.4-171.7178.3-95.300111.7H371 V426 M427 M428 A432 R433 Y434H371-Q430 VanDerWaalsContact CD2-CD 3.5Å; H371-Q430 PolarHBondContact CD2-NE2 3.37Å; H371-Q430 PolarHBondContact NE2-NE2 2.93Å; H371-Q430 PolarHBondContact NE2-OE1 3.47Å; V426-Q430 WeakPolarHBondContact O-CB 3.45Å; V426-Q430 PolarHBondContact O-N 3.37Å; M427-Q430 WeakPolarHBondContact O-CB 3.08Å; M427-Q430 PolarHBondContact O-N 2.97Å; M427-Q430 VanDerWaalsContact O-N 3.16Å; M428-Q430 VanDerWaalsContact C-N 3.25Å; M428-Q430 PolarHBondContact O-N 3.42Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; Q430-R433 PolarHBondContact O-N 3.13Å; Q430-Y434 PolarHBondContact O-N 3.22Å
431T98.2Very high96.8Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-60.3-43.5170.9-56.40000110.7A372 G376 M427 M428 R433 Y434 L435A372-T431 PolarHBondContact O-OG1 3.47Å; G376-T431 VanDerWaalsContact CA-OG1 3.24Å; G376-T431 WeakPolarHBondContact CA-OG1 3.32Å; G376-T431 PolarHBondContact N-OG1 3.4Å; M427-T431 PolarHBondContact O-N 3.15Å; M427-T431 PolarHBondContact O-OG1 3.44Å; M428-T431 WeakPolarHBondContact O-CB 3.3Å; M428-T431 PolarHBondContact O-N 3Å; T431-R433 VanDerWaalsContact C-N 3.28Å; T431-R433 PolarHBondContact O-N 2.99Å; T431-Y434 WeakPolarHBondContact O-CB 3.37Å; T431-Y434 PolarHBondContact O-N 3.27Å; T431-L435 HydrophobicContact CG2-CD1 4.06Å; T431-L435 HydrophobicContact CG2-CG 4.29Å; T431-L435 WeakPolarHBondContact O-CG 3.13Å; T431-L435 PolarHBondContact O-N 3.03Å
432A98.4Very high96.8Very high1 Ų135 Ų351%0.00816%0.164CC..Hα-helixtrans-58.9-37.9179.400000112.6M428 L429 Q430 Y434 L435 V436 W516 L523 S527M428-A432 WeakPolarHBondContact O-CB 3.49Å; M428-A432 PolarHBondContact O-N 2.91Å; L429-A432 WeakPolarHBondContact O-CB 3.24Å; L429-A432 PolarHBondContact O-N 3.02Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; A432-Y434 VanDerWaalsContact C-N 3.3Å; A432-Y434 PolarHBondContact O-N 2.81Å; A432-L435 PolarHBondContact O-N 3.38Å; A432-V436 WeakPolarHBondContact O-CG2 3.24Å; A432-V436 PolarHBondContact O-N 3.32Å; A432-W516 HydrophobicContact CB-CH2 4.07Å; A432-W516 HydrophobicContact CB-CZ2 4.32Å; A432-L523 HydrophobicContact CB-CB 3.77Å; A432-L523 HydrophobicContact CB-CD2 3.9Å; A432-L523 HydrophobicContact CB-CG 4.42Å; A432-L523 WeakPolarHBondContact CB-O 3.35Å; A432-S527 VanDerWaalsContact CA-OG 3.29Å; A432-S527 WeakPolarHBondContact CA-OG 3.35Å; A432-S527 WeakPolarHBondContact CB-OG 3.33Å; A432-S527 PolarHBondContact N-OG 2.92Å; A432-S527 VanDerWaalsContact N-OG 3.09Å
433R97.6Very high96.6Very high135 Ų13538.9 Ų38.951%0.50918%0.177SC..Hα-helixtrans-60.5-42.2175.9-74.6-177.6-177111.3-0.2111.5L429 Q430 T431 K437 W516L429-R433 WeakPolarHBondContact O-CG 3.38Å; L429-R433 PolarHBondContact O-N 3.19Å; Q430-R433 PolarHBondContact O-N 3.13Å; T431-R433 VanDerWaalsContact C-N 3.28Å; T431-R433 PolarHBondContact O-N 2.99Å; R433-K437 VanDerWaalsContact O-CB 3.29Å; R433-K437 WeakPolarHBondContact O-CB 3.46Å; R433-K437 PolarHBondContact O-N 3.42Å; R433-K437 VanDerWaalsContact O-N 3.09Å; R433-W516 HydrophobicContact CB-CH2 4.02Å; R433-W516 HydrophobicContact CB-CZ2 4.47Å; R433-W516 HydrophobicContact CG-CH2 3.25Å; R433-W516 HydrophobicContact CG-CZ2 3.36Å; R433-W516 HydrophobicContact CG-CZ3 3.95Å
434Y96.9Very high96.3Very high40 Ų4044.4 Ų44.416%0.15720%0.2CC..Hα-helixtrans-66-46.5175.5176.4-103.8000111P368 E369 A372 Q430 T431 A432 V436 K437 S438 V452P368-Y434 HydrophobicContact CB-CD2 4.42Å; P368-Y434 HydrophobicContact CB-CE2 4.24Å; E369-Y434 HydrophobicContact CB-CE2 4.47Å; E369-Y434 WeakPolarHBondContact CB-OH 3.44Å; E369-Y434 HydrophobicContact CG-CE1 4.39Å; A372-Y434 VanDerWaalsContact CB-CB 3.45Å; A372-Y434 HydrophobicContact CB-CD1 3.49Å; A372-Y434 VanDerWaalsContact CB-CD1 3.49Å; A372-Y434 HydrophobicContact CB-CD2 4.24Å; A372-Y434 HydrophobicContact CB-CE1 4.28Å; A372-Y434 HydrophobicContact CB-CG 3.47Å; A372-Y434 VanDerWaalsContact CB-CG 3.47Å; Q430-Y434 PolarHBondContact O-N 3.22Å; T431-Y434 WeakPolarHBondContact O-CB 3.37Å; T431-Y434 PolarHBondContact O-N 3.27Å; A432-Y434 VanDerWaalsContact C-N 3.3Å; A432-Y434 PolarHBondContact O-N 2.81Å; Y434-V436 PolarHBondContact O-N 2.82Å; Y434-K437 WeakPolarHBondContact O-CB 3.33Å; Y434-K437 PolarHBondContact O-N 2.96Å; Y434-S438 WeakPolarHBondContact O-CB 3.46Å; Y434-S438 PolarHBondContact O-N 3.39Å; Y434-S438 PolarHBondContact O-OG 3.37Å; Y434-S438 VanDerWaalsContact O-OG 3.04Å; Y434-V452 HydrophobicContact CD1-CG1 4.33Å; Y434-V452 HydrophobicContact CE1-CB 4.5Å; Y434-V452 HydrophobicContact CE1-CG1 3.62Å; Y434-V452 HydrophobicContact CE1-CG2 4.11Å
435L98Very high95.9Very high2 Ų246.8 Ų46.81%0.0123%0.225CC..Hα-helixtrans-60.1-47.1179.2-65.2175000112.9T431 A432 K437 S438 Y439 V452 V495 H530T431-L435 HydrophobicContact CG2-CD1 4.06Å; T431-L435 HydrophobicContact CG2-CG 4.29Å; T431-L435 WeakPolarHBondContact O-CG 3.13Å; T431-L435 PolarHBondContact O-N 3.03Å; A432-L435 PolarHBondContact O-N 3.38Å; L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 3.28Å; L435-S438 PolarHBondContact O-N 2.84Å; L435-Y439 WeakPolarHBondContact O-CB 3.4Å; L435-Y439 PolarHBondContact O-N 3.32Å; L435-V452 HydrophobicContact CD2-CG1 3.82Å; L435-V495 HydrophobicContact CB-CG1 4.28Å; L435-V495 HydrophobicContact CB-CG2 4.11Å; L435-V495 HydrophobicContact CD1-CG2 4.01Å; L435-V495 HydrophobicContact CG-CG2 4.44Å; L435-H530 HydrophobicContact CD1-CB 3.74Å; L435-H530 HydrophobicContact CD2-CB 4.31Å
436V97.1Very high95.6Very high7 Ų748.7 Ų48.74%0.04223%0.23CC..Hα-helixtrans-65.2-38.2177.5171.70000111.2A432 Y434 R440 I502 L523A432-V436 WeakPolarHBondContact O-CG2 3.24Å; A432-V436 PolarHBondContact O-N 3.32Å; Y434-V436 PolarHBondContact O-N 2.82Å; V436-R440 WeakPolarHBondContact O-CG 3.21Å; V436-R440 PolarHBondContact O-N 3.31Å; V436-I502 HydrophobicContact CG1-CD1 4.17Å; V436-I502 HydrophobicContact CG2-CD1 4.17Å; V436-L523 HydrophobicContact CG2-CD2 3.54Å
437K96.2Very high95.3Very high121 Ų12154.3 Ų54.353%0.52625%0.253SS..Hα-helixtrans-61.2-50.4174.2-177.3-173.6174.6-172.30110.6R433 Y434 L435 Y439 R440 Q441R433-K437 VanDerWaalsContact O-CB 3.29Å; R433-K437 WeakPolarHBondContact O-CB 3.46Å; R433-K437 PolarHBondContact O-N 3.42Å; R433-K437 VanDerWaalsContact O-N 3.09Å; Y434-K437 WeakPolarHBondContact O-CB 3.33Å; Y434-K437 PolarHBondContact O-N 2.96Å; L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 3.28Å; K437-Y439 PolarHBondContact O-N 3.23Å; K437-R440 PolarHBondContact O-N 2.83Å; K437-Q441 WeakPolarHBondContact O-CG 3.29Å; K437-Q441 PolarHBondContact O-N 3.28Å
438S95.9Very high95.1Very high2 Ų254.9 Ų54.91%0.01426%0.256CS..Hα-helixtrans-60.6-44.7178.8-60.40000111.4Y434 L435 R440 Q441 A442 L448Y434-S438 WeakPolarHBondContact O-CB 3.46Å; Y434-S438 PolarHBondContact O-N 3.39Å; Y434-S438 PolarHBondContact O-OG 3.37Å; Y434-S438 VanDerWaalsContact O-OG 3.04Å; L435-S438 PolarHBondContact O-N 2.84Å; S438-R440 PolarHBondContact O-N 3.49Å; S438-Q441 WeakPolarHBondContact O-CB 3.39Å; S438-Q441 PolarHBondContact O-N 3.48Å; S438-Q441 VanDerWaalsContact O-N 3.11Å; S438-A442 PolarHBondContact O-N 3.03Å; S438-L448 WeakPolarHBondContact O-CD1 3.47Å
439Y95.4Very high94.6Very high10 Ų1058.7 Ų58.74%0.03928%0.283CS..Hα-helixtrans-56.3-48.4175.1175.7-94000112.1L435 K437 Q441 A442 E443 L455 V495 E496 A499L435-Y439 WeakPolarHBondContact O-CB 3.4Å; L435-Y439 PolarHBondContact O-N 3.32Å; K437-Y439 PolarHBondContact O-N 3.23Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 2.85Å; Y439-A442 PolarHBondContact O-N 2.96Å; Y439-E443 HydrophobicContact CD1-CG 4.3Å; Y439-E443 HydrophobicContact CE1-CG 3.74Å; Y439-E443 WeakPolarHBondContact CE1-OE1 3.46Å; Y439-E443 WeakPolarHBondContact CE1-OE2 3.15Å; Y439-E443 HydrophobicContact CE2-CG 4.41Å; Y439-E443 VanDerWaalsContact CZ-CD 3.43Å; Y439-E443 PolarHBondContact O-N 3Å; Y439-E443 VanDerWaalsContact OH-CD 3.29Å; Y439-E443 PolarHBondContact OH-OE1 3.15Å; Y439-L455 HydrophobicContact CD2-CD2 4.48Å; Y439-V495 HydrophobicContact CD2-CG1 4.23Å; Y439-V495 HydrophobicContact CG-CG1 4.21Å; Y439-E496 HydrophobicContact CE2-CB 3.85Å; Y439-E496 HydrophobicContact CE2-CG 4.05Å; Y439-A499 HydrophobicContact CD1-CB 3.48Å; Y439-A499 VanDerWaalsContact CD1-CB 3.48Å; Y439-A499 HydrophobicContact CE1-CB 3.61Å; Y439-A499 HydrophobicContact CG-CB 4.28Å
440R94Very high94.2Very high93 Ų9359.1 Ų59.135%0.35130%0.295SS..Hα-helixtrans-64.9-30.4177.2-71.4173.8178.7-179.8-0.5113.2V436 K437 S438 K444V436-R440 WeakPolarHBondContact O-CG 3.21Å; V436-R440 PolarHBondContact O-N 3.31Å; K437-R440 PolarHBondContact O-N 2.83Å; S438-R440 PolarHBondContact O-N 3.49Å; R440-K444 VanDerWaalsContact O-CG 3.31Å; R440-K444 WeakPolarHBondContact O-CG 3.48Å; R440-K444 PolarHBondContact O-N 2.96Å
441Q94.3Very high93.8Very high58 Ų5857.3 Ų57.327%0.27129%0.287SS..Hα-helixtrans-69-46.1174-73.4178.5-66.800110.7K437 S438 Y439 E443 K444 G445 Q446 L448K437-Q441 WeakPolarHBondContact O-CG 3.29Å; K437-Q441 PolarHBondContact O-N 3.28Å; S438-Q441 WeakPolarHBondContact O-CB 3.39Å; S438-Q441 PolarHBondContact O-N 3.48Å; S438-Q441 VanDerWaalsContact O-N 3.11Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 2.85Å; Q441-E443 PolarHBondContact O-N 3.07Å; Q441-K444 PolarHBondContact O-N 3.42Å; Q441-K444 VanDerWaalsContact O-N 3.12Å; Q441-G445 PolarHBondContact O-N 3.19Å; Q441-Q446 HydrophobicContact CB-CB 4.18Å; Q441-Q446 VanDerWaalsContact CG-OE1 3.24Å; Q441-Q446 VanDerWaalsContact NE2-OE1 3.07Å; Q441-Q446 WeakPolarHBondContact O-CB 3.29Å; Q441-Q446 PolarHBondContact O-N 3.21Å; Q441-L448 HydrophobicContact CB-CD2 4.06Å
442A92.7Very high93.6Very high1 Ų157.4 Ų57.41%0.00829%0.287CS..Hα-helixtrans-59.6-44.6173.200000111.5S438 Y439 K444 G445 L448 Q459S438-A442 PolarHBondContact O-N 3.03Å; Y439-A442 PolarHBondContact O-N 2.96Å; A442-K444 PolarHBondContact O-N 3.41Å; A442-K444 VanDerWaalsContact O-N 3.15Å; A442-G445 PolarHBondContact O-N 3.33Å; A442-L448 HydrophobicContact CB-CD1 3.78Å; A442-L448 HydrophobicContact CB-CG 4.2Å; A442-Q459 PolarHBondContact O-NE2 2.8Å
443E89.8Confident93.4Very high102 Ų10259.8 Ų59.848%0.47730%0.304SS..Hα-helixtrans-58-29.7175.7-78.7-170.2129.900113.3Y439 Q441 G445Y439-E443 HydrophobicContact CD1-CG 4.3Å; Y439-E443 HydrophobicContact CE1-CG 3.74Å; Y439-E443 WeakPolarHBondContact CE1-OE1 3.46Å; Y439-E443 WeakPolarHBondContact CE1-OE2 3.15Å; Y439-E443 HydrophobicContact CE2-CG 4.41Å; Y439-E443 VanDerWaalsContact CZ-CD 3.43Å; Y439-E443 PolarHBondContact O-N 3Å; Y439-E443 VanDerWaalsContact OH-CD 3.29Å; Y439-E443 PolarHBondContact OH-OE1 3.15Å; Q441-E443 PolarHBondContact O-N 3.07Å; E443-G445 VanDerWaalsContact C-N 3.26Å; E443-G445 PolarHBondContact O-N 2.71Å
444K91.8Very high93.2Very high173 Ų17354.1 Ų54.175%0.75228%0.282SS*.THydrogen-bonded Turntrans-83.85.7176-68.8175.6-177.2-173.40113.9R440 Q441 A442R440-K444 VanDerWaalsContact O-CG 3.31Å; R440-K444 WeakPolarHBondContact O-CG 3.48Å; R440-K444 PolarHBondContact O-N 2.96Å; Q441-K444 PolarHBondContact O-N 3.42Å; Q441-K444 VanDerWaalsContact O-N 3.12Å; A442-K444 PolarHBondContact O-N 3.41Å; A442-K444 VanDerWaalsContact O-N 3.15Å
445G89.6Confident93Very high51 Ų5152.2 Ų52.253%0.52628%0.275SS..THydrogen-bonded Turntrans82.812.1-179.800000114.8Q441 A442 E443Q441-G445 PolarHBondContact O-N 3.19Å; A442-G445 PolarHBondContact O-N 3.33Å; E443-G445 VanDerWaalsContact C-N 3.26Å; E443-G445 PolarHBondContact O-N 2.71Å
446Q92.6Very high92.5Very high96 Ų9653.6 Ų53.645%0.44928%0.283SS..PPolyproline II helixtrans-77.6129.2173.5-59.5-174.1-9.100110Q441 L448Q441-Q446 HydrophobicContact CB-CB 4.18Å; Q441-Q446 VanDerWaalsContact CG-OE1 3.24Å; Q441-Q446 VanDerWaalsContact NE2-OE1 3.07Å; Q441-Q446 WeakPolarHBondContact O-CB 3.29Å; Q441-Q446 PolarHBondContact O-N 3.21Å; Q446-L448 PolarHBondContact O-N 3.33Å
447Q92.2Very high91.3Very high164 Ų16454.9 Ų54.977%0.76630%0.297SS*.PPolyproline II helixtrans-73.9116.3175.5-171.366.71600110.1N456Q447-N456 PolarHBondContact NE2-ND2 3.17Å
448L91.9Very high89.6Confident19 Ų1949.9 Ų49.910%0.09928%0.277CS..PPolyproline II helixtrans-83.8148.7173.1-55.8175.4000111S438 Q441 A442 Q446 L455 N456S438-L448 WeakPolarHBondContact O-CD1 3.47Å; Q441-L448 HydrophobicContact CB-CD2 4.06Å; A442-L448 HydrophobicContact CB-CD1 3.78Å; A442-L448 HydrophobicContact CB-CG 4.2Å; Q446-L448 PolarHBondContact O-N 3.33Å; L448-L455 HydrophobicContact CD1-CB 3.71Å; L448-L455 HydrophobicContact CD1-CD1 4.36Å; L448-N456 WeakPolarHBondContact CB-OD1 3.36Å; L448-N456 WeakPolarHBondContact CG-OD1 3.35Å; L448-N456 PolarHBondContact N-OD1 2.75Å; L448-N456 PolarHBondContact O-ND2 2.75Å
449S89.5Confident87.5Confident80 Ų8055.1 Ų55.156%0.55930%0.301SS*.  trans-117.8-175.8171.658.90000110.4
450G88.9Confident85.2Confident39 Ų3962 Ų6240%0.40234%0.339SS..G310 helixtrans68.6-155.1174.300000114.1V452 S453G450-V452 PolarHBondContact O-N 2.84Å; G450-S453 VanDerWaalsContact O-CB 3.29Å; G450-S453 WeakPolarHBondContact O-CB 3.29Å; G450-S453 PolarHBondContact O-N 3.47Å; G450-S453 PolarHBondContact O-OG 3.31Å
451I89.4Confident83.4Confident10 Ų1061.3 Ų61.35%0.05134%0.336CS..G310 helixtrans-70.1-14.5-173-156.560.2000113.2E369 L373 Y454 Y533 V534 K537E369-I451 HydrophobicContact CG-CG2 4.23Å; E369-I451 WeakPolarHBondContact OE1-CB 3.25Å; E369-I451 WeakPolarHBondContact OE1-CG2 3.34Å; E369-I451 PolarHBondContact OE1-N 3.12Å; L373-I451 HydrophobicContact CD1-CG2 4.48Å; I451-Y454 WeakPolarHBondContact O-CD1 3.49Å; I451-Y454 WeakPolarHBondContact O-CE1 3.43Å; I451-Y533 HydrophobicContact CD1-CE1 4.38Å; I451-V534 HydrophobicContact CD1-CG1 4.41Å; I451-V534 HydrophobicContact CD1-CG2 3.99Å; I451-V534 HydrophobicContact CG1-CG1 4.45Å; I451-V534 HydrophobicContact CG1-CG2 3.47Å; I451-V534 VanDerWaalsContact CG1-CG2 3.47Å; I451-K537 HydrophobicContact CD1-CD 4.19Å
452V93.9Very high81Confident1 Ų169.3 Ų69.31%0.00636%0.364CS..G310 helixtrans-100.44.1177.1-66.30000113.9Y434 L435 G450 Y454 L455Y434-V452 HydrophobicContact CD1-CG1 4.33Å; Y434-V452 HydrophobicContact CE1-CB 4.5Å; Y434-V452 HydrophobicContact CE1-CG1 3.62Å; Y434-V452 HydrophobicContact CE1-CG2 4.11Å; L435-V452 HydrophobicContact CD2-CG1 3.82Å; G450-V452 PolarHBondContact O-N 2.84Å; V452-Y454 PolarHBondContact O-N 3.41Å; V452-L455 HydrophobicContact CB-CD1 4.24Å; V452-L455 WeakPolarHBondContact O-CB 3.47Å; V452-L455 PolarHBondContact O-N 2.79Å
453S93.8Very high78.7Confident52 Ų5274 Ų7436%0.36439%0.393SS..G310 helixtrans-57.1-23.1179.456.70000113.9G450 L455 N456G450-S453 VanDerWaalsContact O-CB 3.29Å; G450-S453 WeakPolarHBondContact O-CB 3.29Å; G450-S453 PolarHBondContact O-N 3.47Å; G450-S453 PolarHBondContact O-OG 3.31Å; S453-L455 PolarHBondContact O-N 3.09Å; S453-N456 WeakPolarHBondContact O-CB 3.5Å; S453-N456 PolarHBondContact O-N 2.95Å; S453-N456 VanDerWaalsContact O-N 3.11Å; S453-N456 PolarHBondContact O-ND2 3.48Å
454Y92.5Very high76.4Confident15 Ų1574.8 Ų74.86%0.05940%0.396CS..G310 helixtrans-61.1-22.117469.1-98.7000113.6I451 V452 N456 G457 Q488 A491 A492 H530 Y533I451-Y454 WeakPolarHBondContact O-CD1 3.49Å; I451-Y454 WeakPolarHBondContact O-CE1 3.43Å; V452-Y454 PolarHBondContact O-N 3.41Å; Y454-N456 PolarHBondContact O-N 3.29Å; Y454-G457 PolarHBondContact O-N 2.9Å; Y454-Q488 HydrophobicContact CD1-CG 4.31Å; Y454-Q488 HydrophobicContact CD2-CG 4.22Å; Y454-Q488 HydrophobicContact CG-CG 3.73Å; Y454-A491 HydrophobicContact CE2-CB 4.15Å; Y454-A492 HydrophobicContact CD2-CB 3.87Å; Y454-A492 HydrophobicContact CE2-CB 4Å; Y454-H530 AromaticContact CE1-CE1 3.91Å; Y454-H530 AromaticContact CE1-ND1 3.59Å; Y454-H530 AromaticContact CZ-ND1 3.65Å; Y454-H530 PolarHBondContact OH-ND1 3.18Å; Y454-Y533 HydrophobicContact CD1-CD1 4.41Å; Y454-Y533 AromaticContact CD1-CE1 3.75Å; Y454-Y533 HydrophobicContact CD1-CE1 3.75Å; Y454-Y533 HydrophobicContact CE1-CD1 4.12Å; Y454-Y533 AromaticContact CE1-CE1 3.83Å; Y454-Y533 HydrophobicContact CE1-CE1 3.83Å
455L93.2Very high74Confident0 Ų073 Ų730%040%0.402CS..G310 helixtrans-71.6-15.6177.4-65.5176.1000112.8Y439 L448 V452 S453 G457 S458 V495Y439-L455 HydrophobicContact CD2-CD2 4.48Å; L448-L455 HydrophobicContact CD1-CB 3.71Å; L448-L455 HydrophobicContact CD1-CD1 4.36Å; V452-L455 HydrophobicContact CB-CD1 4.24Å; V452-L455 WeakPolarHBondContact O-CB 3.47Å; V452-L455 PolarHBondContact O-N 2.79Å; S453-L455 PolarHBondContact O-N 3.09Å; L455-G457 PolarHBondContact O-N 3.42Å; L455-S458 WeakPolarHBondContact O-CB 3.41Å; L455-S458 PolarHBondContact O-N 2.93Å; L455-S458 PolarHBondContact O-OG 2.93Å; L455-V495 HydrophobicContact CD1-CG1 4.34Å; L455-V495 HydrophobicContact CD2-CB 4.16Å; L455-V495 HydrophobicContact CD2-CG1 3.95Å
456N87.5Confident71.7Confident32 Ų3276.3 Ų76.317%0.17140%0.404CS..G310 helixtrans-62-30.6173.9-66.1-41.4000112.1Q447 L448 S453 Y454 S458Q447-N456 PolarHBondContact NE2-ND2 3.17Å; L448-N456 WeakPolarHBondContact CB-OD1 3.36Å; L448-N456 WeakPolarHBondContact CG-OD1 3.35Å; L448-N456 PolarHBondContact N-OD1 2.75Å; L448-N456 PolarHBondContact O-ND2 2.75Å; S453-N456 WeakPolarHBondContact O-CB 3.5Å; S453-N456 PolarHBondContact O-N 2.95Å; S453-N456 VanDerWaalsContact O-N 3.11Å; S453-N456 PolarHBondContact O-ND2 3.48Å; Y454-N456 PolarHBondContact O-N 3.29Å; N456-S458 PolarHBondContact O-N 3.08Å
457G71.3Confident69.5Low33 Ų3375.4 Ų75.434%0.3441%0.413SS..G310 helixtrans-75.4-4.9-17900000115Y454 L455 Q459 N460Y454-G457 PolarHBondContact O-N 2.9Å; L455-G457 PolarHBondContact O-N 3.42Å; G457-Q459 VanDerWaalsContact C-N 3.33Å; G457-Q459 PolarHBondContact O-N 2.66Å; G457-N460 PolarHBondContact O-N 3.16Å
458S61.2Low67.4Low17 Ų1773.3 Ų73.312%0.11941%0.411CS..G310 helixtrans-67.5-31.2-179.464.70000112.7L455 N456 N460 R461L455-S458 WeakPolarHBondContact O-CB 3.41Å; L455-S458 PolarHBondContact O-N 2.93Å; L455-S458 PolarHBondContact O-OG 2.93Å; N456-S458 PolarHBondContact O-N 3.08Å; S458-N460 PolarHBondContact O-N 3.01Å; S458-R461 PolarHBondContact O-N 3.1Å
459Q52.1Low65.2Low111 Ų11177.2 Ų77.252%0.51945%0.446SS..G310 helixtrans-61.6-30.2179.1-65.9-168.2-18.700113.6A442 G457 R461A442-Q459 PolarHBondContact O-NE2 2.8Å; G457-Q459 VanDerWaalsContact C-N 3.33Å; G457-Q459 PolarHBondContact O-N 2.66Å; Q459-R461 VanDerWaalsContact C-N 3.3Å
460N47.5Very low63.1Low155 Ų15576.9 Ų76.983%0.82944%0.444SS*.G310 helixtrans-87.51.6179-74.5-22.2000113.2G457 S458G457-N460 PolarHBondContact O-N 3.16Å; S458-N460 PolarHBondContact O-N 3.01Å
461R54.9Low61.2Low78 Ų7883.1 Ų83.129%0.29446%0.455SS..  trans-108.779.6-179.3-67.3-179.1-178.7173.26.4110.4S458 Q459 V463S458-R461 PolarHBondContact O-N 3.1Å; Q459-R461 VanDerWaalsContact C-N 3.3Å; R461-V463 PolarHBondContact O-N 2.97Å
462R44.4Very low59.2Low227 Ų22793.4 Ų93.486%0.85749%0.494SS*.  trans-6198.1149.4-75.6-178-177.5178.30.8106.4Q464R462-Q464 PolarHBondContact O-N 2.89Å
463V45.7Very low57.2Low100 Ų10097.5 Ų97.561%0.60652%0.52SS*.  trans-65.680.6165.1-176.70000106.4R461R461-V463 PolarHBondContact O-N 2.97Å
464Q40.2Very low55.3Low118 Ų118102.7 Ų102.755%0.55154%0.543SS*.  trans-74130.7160.9-75.9-166.7-0.500106.8R462 Q466R462-Q464 PolarHBondContact O-N 2.89Å; Q464-Q466 VanDerWaalsContact C-N 3.31Å; Q464-Q466 HydrophobicContact CB-CG 4.09Å; Q464-Q466 PolarHBondContact O-N 3.16Å; Q464-Q466 VanDerWaalsContact OE1-NE2 3.12Å
465P41Very low54.2Low136 Ų136103 Ų10388%0.88355%0.546SS*.  trans-62.699.8162.9-2.715.9000106.7
466Q42.9Very low53.8Low120 Ų120107.1 Ų107.156%0.56157%0.568SS**  trans-113.7146.5167.8-69.4-161.3-5.600108.4Q464 V468 S470Q464-Q466 VanDerWaalsContact C-N 3.31Å; Q464-Q466 HydrophobicContact CB-CG 4.09Å; Q464-Q466 PolarHBondContact O-N 3.16Å; Q464-Q466 VanDerWaalsContact OE1-NE2 3.12Å; Q466-V468 PolarHBondContact O-N 2.67Å; Q466-S470 PolarHBondContact OE1-OG 3.26Å
467A46.2Very low53.6Low77 Ų77106.3 Ų106.364%0.63656%0.564SS**  trans-51.7135.6177.700000110A469 S470A467-A469 PolarHBondContact O-N 2.91Å; A467-S470 PolarHBondContact O-N 3.48Å; A467-S470 PolarHBondContact O-OG 3.04Å
468V47.7Very low54.3Low119 Ų119108.5 Ų108.572%0.72157%0.568SS**G310 helixtrans-48.5-20.8-179.8-174.70000113Q466 S470Q466-V468 PolarHBondContact O-N 2.67Å; V468-S470 PolarHBondContact O-N 3.02Å
469A46.2Very low55.8Low102 Ų102110.4 Ų110.484%0.84358%0.577SS**G310 helixtrans-73.8-12.2178.700000116.2A467A467-A469 PolarHBondContact O-N 2.91Å
470S45.4Very low57.8Low73 Ų73105.9 Ų105.951%0.5156%0.556SS.*G310 helixtrans-97.1-10.9-173.867.20000115.9Q466 A467 V468Q466-S470 PolarHBondContact OE1-OG 3.26Å; A467-S470 PolarHBondContact O-N 3.48Å; A467-S470 PolarHBondContact O-OG 3.04Å; V468-S470 PolarHBondContact O-N 3.02Å
471R47.8Very low60Low169 Ų169101 Ų10164%0.63853%0.533SS*.SBendtrans-97.2125.7167.1-83.3-174.4173.4178.7-0.6109.3P473R471-P473 WeakPolarHBondContact O-CD 3.32Å
472R47.8Very low61.7Low227 Ų22798.2 Ų98.286%0.85753%0.526SS*.  trans-56.5127.4160.1-74.5-176.9179.5-179.3-0.4107L474R472-L474 PolarHBondContact O-N 2.83Å
473P51.5Low64.1Low87 Ų8787.4 Ų87.457%0.56549%0.486SS*.  trans-61.8105.8170.9-12.825.7000107.2R471 V475R471-P473 WeakPolarHBondContact O-CD 3.32Å; P473-V475 PolarHBondContact O-N 2.64Å
474L54.4Low66.5Low161 Ų16183.3 Ų83.384%0.84346%0.461SS*.  trans-75.97.8-179.8-90.1153.7000112.5R472R472-L474 PolarHBondContact O-N 2.83Å
475V68.9Low69Low21 Ų2183.3 Ų83.313%0.12746%0.461CS..  trans-103.4104.5-169.5-1730000109.4P473 I477 L483 V486 L579P473-V475 PolarHBondContact O-N 2.64Å; V475-I477 HydrophobicContact CG1-CG2 4.25Å; V475-I477 PolarHBondContact O-N 2.94Å; V475-L483 HydrophobicContact CG1-CD2 4.26Å; V475-V486 HydrophobicContact CB-CG2 4.07Å; V475-V486 HydrophobicContact CG1-CG2 3.64Å; V475-V486 HydrophobicContact CG2-CG2 3.23Å; V475-L579 WeakPolarHBondContact CG2-O 3.45Å
476D85Confident71.4Confident86 Ų8677.1 Ų77.146%0.4642%0.42SS..  trans-73.8109.3157-175.6-6.2000108N478 D479 S482D476-N478 PolarHBondContact O-N 2.88Å; D476-N478 WeakPolarHBondContact OD1-CB 3.43Å; D476-N478 PolarHBondContact OD1-N 3.17Å; D476-D479 HydrophobicContact CB-CB 4.04Å; D476-D479 PolarHBondContact O-N 3.32Å; D476-S482 WeakPolarHBondContact O-CB 3.48Å
477I84.4Confident74Confident15 Ų1571.4 Ų71.48%0.07739%0.393CS..THydrogen-bonded Turntrans-66.4-19-178.862.7173.2000112.2V475 M564 Q587 I588V475-I477 HydrophobicContact CG1-CG2 4.25Å; V475-I477 PolarHBondContact O-N 2.94Å; I477-M564 WeakPolarHBondContact O-CE 3.39Å; I477-Q587 HydrophobicContact CD1-CB 3.77Å; I477-I588 HydrophobicContact CB-CG1 4.24Å; I477-I588 HydrophobicContact CD1-CG1 4.29Å; I477-I588 HydrophobicContact CG2-CD1 4.14Å; I477-I588 HydrophobicContact CG2-CG1 4.02Å
478N86.3Confident76.3Confident80 Ų8070.2 Ų70.243%0.42838%0.375SS..THydrogen-bonded Turntrans-90.8-10.3179.1-62.4-63.8000113.3D476 R591D476-N478 PolarHBondContact O-N 2.88Å; D476-N478 WeakPolarHBondContact OD1-CB 3.43Å; D476-N478 PolarHBondContact OD1-N 3.17Å; N478-R591 PolarHBondContact OD1-NE 3.36Å
479D91.8Very high78.5Confident57 Ų5766 Ų6631%0.30535%0.347SS..  trans-96.1117.8175.3170.937.9000110.6D476 S481 S482 L483D476-D479 HydrophobicContact CB-CB 4.04Å; D476-D479 PolarHBondContact O-N 3.32Å; D479-S481 PolarHBondContact O-N 3.31Å; D479-S481 PolarHBondContact OD1-N 2.81Å; D479-S481 VanDerWaalsContact OD1-N 3.1Å; D479-S482 WeakPolarHBondContact O-CB 3.27Å; D479-S482 PolarHBondContact O-N 2.7Å; D479-S482 WeakPolarHBondContact OD2-CB 3.46Å; D479-S482 PolarHBondContact OD2-N 3.17Å; D479-S482 PolarHBondContact OD2-OG 2.66Å; D479-L483 PolarHBondContact O-N 2.74Å
480L93.7Very high80.8Confident16 Ų1661.3 Ų61.38%0.08431%0.308CS..Hα-helixtrans-63.4-32.1179.9-174.763.2000112L483 V484 N540 L543 A559 L560 A563L480-L483 PolarHBondContact O-N 2.9Å; L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.29Å; L480-N540 HydrophobicContact CD2-CB 3.83Å; L480-N540 WeakPolarHBondContact CD2-OD1 3.35Å; L480-N540 HydrophobicContact CG-CB 4.06Å; L480-N540 WeakPolarHBondContact CG-OD1 3.48Å; L480-L543 HydrophobicContact CD2-CD1 3.43Å; L480-L543 VanDerWaalsContact CD2-CD1 3.43Å; L480-A559 HydrophobicContact CD1-CB 4.18Å; L480-A559 HydrophobicContact CD2-CB 3.57Å; L480-L560 HydrophobicContact CB-CD2 4.18Å; L480-L560 HydrophobicContact CD1-CD2 4.42Å; L480-A563 HydrophobicContact CD1-CB 4.27Å
481S93Very high83.3Confident51 Ų5157.8 Ų57.836%0.35728%0.283SS..Hα-helixtrans-65.6-44177.3-61.80000111D479 L483 V484 E485D479-S481 PolarHBondContact O-N 3.31Å; D479-S481 PolarHBondContact OD1-N 2.81Å; D479-S481 VanDerWaalsContact OD1-N 3.1Å; S481-L483 VanDerWaalsContact C-N 3.31Å; S481-L483 PolarHBondContact O-N 3.38Å; S481-V484 WeakPolarHBondContact O-CB 3.17Å; S481-V484 PolarHBondContact O-N 2.88Å; S481-E485 PolarHBondContact O-N 3.42Å; S481-E485 VanDerWaalsContact O-N 3.1Å
482S92.2Very high85.6Confident20 Ų2050.1 Ų50.114%0.1426%0.256CS..Hα-helixtrans-57.7-41.4171.3-65.20000112.1D476 D479 E485 V486D476-S482 WeakPolarHBondContact O-CB 3.48Å; D479-S482 WeakPolarHBondContact O-CB 3.27Å; D479-S482 PolarHBondContact O-N 2.7Å; D479-S482 WeakPolarHBondContact OD2-CB 3.46Å; D479-S482 PolarHBondContact OD2-N 3.17Å; D479-S482 PolarHBondContact OD2-OG 2.66Å; S482-E485 PolarHBondContact O-N 3.42Å; S482-V486 WeakPolarHBondContact O-CG2 3.41Å; S482-V486 PolarHBondContact O-N 2.88Å; S482-V486 VanDerWaalsContact O-N 3.14Å
483L94.6Very high87.8Confident1 Ų140.7 Ų40.71%0.00522%0.224CC..Hα-helixtrans-65-41174.8-63.7-177.7000112.3V475 D479 L480 S481 E485 V486 Y487 L560 A563 M564 I567V475-L483 HydrophobicContact CG1-CD2 4.26Å; D479-L483 PolarHBondContact O-N 2.74Å; L480-L483 PolarHBondContact O-N 2.9Å; S481-L483 VanDerWaalsContact C-N 3.31Å; S481-L483 PolarHBondContact O-N 3.38Å; L483-E485 VanDerWaalsContact C-N 3.27Å; L483-E485 PolarHBondContact O-N 3.2Å; L483-V486 WeakPolarHBondContact O-CB 3.44Å; L483-V486 PolarHBondContact O-N 2.93Å; L483-V486 VanDerWaalsContact O-N 3.13Å; L483-Y487 WeakPolarHBondContact O-CD2 3.45Å; L483-Y487 PolarHBondContact O-N 3.13Å; L483-L560 HydrophobicContact CD1-CD2 3.93Å; L483-A563 HydrophobicContact CB-CB 4.32Å; L483-A563 HydrophobicContact CD1-CB 3.79Å; L483-M564 HydrophobicContact CD1-CE 4.49Å; L483-M564 HydrophobicContact CD1-CG 4.3Å; L483-I567 HydrophobicContact CD2-CD1 3.86Å
484V95.4Very high89.9Confident14 Ų1437 Ų379%0.08520%0.199CC..Hα-helixtrans-56.5-43.8174.8172.20000110.7L480 S481 V486 Y487 Q488 Y533 V536 K537 N540L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.29Å; S481-V484 WeakPolarHBondContact O-CB 3.17Å; S481-V484 PolarHBondContact O-N 2.88Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 3.47Å; V484-Y487 PolarHBondContact O-N 3.49Å; V484-Q488 WeakPolarHBondContact O-CB 3.42Å; V484-Q488 PolarHBondContact O-N 3.03Å; V484-Y533 HydrophobicContact CG1-CE2 4.21Å; V484-V536 HydrophobicContact CG2-CG1 3.87Å; V484-K537 HydrophobicContact CG1-CB 4.15Å; V484-N540 HydrophobicContact CG2-CB 3.65Å
485E92.5Very high92Very high117 Ų11729.3 Ų29.355%0.54716%0.159SC..Hα-helixtrans-61.8-42177-68.6-174.6-17400112.1S481 S482 L483 Y487 Q488 Q489S481-E485 PolarHBondContact O-N 3.42Å; S481-E485 VanDerWaalsContact O-N 3.1Å; S482-E485 PolarHBondContact O-N 3.42Å; L483-E485 VanDerWaalsContact C-N 3.27Å; L483-E485 PolarHBondContact O-N 3.2Å; E485-Y487 PolarHBondContact O-N 3.07Å; E485-Q488 WeakPolarHBondContact O-CB 3.22Å; E485-Q488 PolarHBondContact O-N 3.19Å; E485-Q489 VanDerWaalsContact O-CG 3.22Å; E485-Q489 WeakPolarHBondContact O-CG 3.37Å; E485-Q489 PolarHBondContact O-N 3.28Å
486V92.6Very high93.2Very high6 Ų629.3 Ų29.34%0.03616%0.158CC..Hα-helixtrans-61.4-44.2176.7170.50000111.6V475 S482 L483 V484 Q489 R490 F574 L579 V580V475-V486 HydrophobicContact CB-CG2 4.07Å; V475-V486 HydrophobicContact CG1-CG2 3.64Å; V475-V486 HydrophobicContact CG2-CG2 3.23Å; S482-V486 WeakPolarHBondContact O-CG2 3.41Å; S482-V486 PolarHBondContact O-N 2.88Å; S482-V486 VanDerWaalsContact O-N 3.14Å; L483-V486 WeakPolarHBondContact O-CB 3.44Å; L483-V486 PolarHBondContact O-N 2.93Å; L483-V486 VanDerWaalsContact O-N 3.13Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 3.47Å; V486-Q489 PolarHBondContact O-N 3.1Å; V486-R490 PolarHBondContact O-N 3.01Å; V486-F574 HydrophobicContact CG1-CD1 3.52Å; V486-F574 HydrophobicContact CG1-CE1 3.66Å; V486-L579 HydrophobicContact CG1-CB 4.16Å; V486-V580 HydrophobicContact CG1-CG1 4.26Å
487Y96.8Very high93.7Very high0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-62.9-41.4174.5-90.9-91.6000112.5L483 V484 E485 Q489 R490 A491 H532 V536 A563 G566 I567 F574L483-Y487 WeakPolarHBondContact O-CD2 3.45Å; L483-Y487 PolarHBondContact O-N 3.13Å; V484-Y487 PolarHBondContact O-N 3.49Å; E485-Y487 PolarHBondContact O-N 3.07Å; Y487-Q489 VanDerWaalsContact C-N 3.3Å; Y487-Q489 PolarHBondContact O-N 3.21Å; Y487-R490 PolarHBondContact O-N 3.01Å; Y487-A491 PolarHBondContact O-N 3.29Å; Y487-H532 HydrophobicContact CE1-CB 4.43Å; Y487-H532 AromaticContact CE1-CD2 3.4Å; Y487-H532 VanDerWaalsContact CE1-CD2 3.4Å; Y487-H532 WeakPolarHBondContact CE1-CD2 3.48Å; Y487-H532 AromaticContact CE1-CE1 3.78Å; Y487-H532 AromaticContact CE1-CG 3.66Å; Y487-H532 AromaticContact CE1-ND1 3.89Å; Y487-H532 AromaticContact CE1-NE2 3.45Å; Y487-H532 WeakPolarHBondContact CE1-NE2 3.49Å; Y487-H532 AromaticContact CZ-NE2 3.77Å; Y487-H532 PolarHBondContact OH-NE2 3.47Å; Y487-V536 HydrophobicContact CD1-CG2 4.03Å; Y487-V536 HydrophobicContact CD2-CG1 4.25Å; Y487-V536 HydrophobicContact CD2-CG2 4.17Å; Y487-V536 HydrophobicContact CE1-CG2 3.93Å; Y487-V536 HydrophobicContact CE2-CG2 4.08Å; Y487-V536 HydrophobicContact CG-CB 4.43Å; Y487-V536 HydrophobicContact CG-CG2 4.12Å; Y487-A563 HydrophobicContact CE2-CB 4.03Å; Y487-A563 PolarHBondContact OH-O 3.35Å; Y487-G566 VanDerWaalsContact OH-C 3.3Å; Y487-G566 VanDerWaalsContact OH-CA 3.23Å; Y487-G566 WeakPolarHBondContact OH-CA 3.32Å; Y487-I567 HydrophobicContact CE2-CD1 4.01Å; Y487-I567 HydrophobicContact CE2-CG1 3.73Å; Y487-I567 PolarHBondContact OH-N 2.85Å; Y487-F574 HydrophobicContact CD1-CZ 4.23Å; Y487-F574 HydrophobicContact CD2-CE1 4.46Å; Y487-F574 HydrophobicContact CD2-CZ 4.46Å; Y487-F574 AromaticContact CE1-CZ 3.97Å; Y487-F574 HydrophobicContact CE1-CZ 3.97Å; Y487-F574 HydrophobicContact CE2-CZ 4.23Å; Y487-F574 HydrophobicContact CG-CZ 4.48Å
488Q95.3Very high94.3Very high52 Ų5227.2 Ų27.224%0.24315%0.146CC..Hα-helixtrans-59-42.9174.4-170.7-178.4-74.900111.2Y454 V484 E485 A491 A492 Y533Y454-Q488 HydrophobicContact CD1-CG 4.31Å; Y454-Q488 HydrophobicContact CD2-CG 4.22Å; Y454-Q488 HydrophobicContact CG-CG 3.73Å; V484-Q488 WeakPolarHBondContact O-CB 3.42Å; V484-Q488 PolarHBondContact O-N 3.03Å; E485-Q488 WeakPolarHBondContact O-CB 3.22Å; E485-Q488 PolarHBondContact O-N 3.19Å; Q488-A491 PolarHBondContact O-N 3.16Å; Q488-A492 PolarHBondContact O-N 2.73Å; Q488-Y533 HydrophobicContact CB-CD2 3.74Å; Q488-Y533 HydrophobicContact CB-CE2 3.52Å; Q488-Y533 HydrophobicContact CG-CD2 4.32Å; Q488-Y533 HydrophobicContact CG-CE2 3.78Å; Q488-Y533 PolarHBondContact OE1-OH 2.78Å
489Q92.9Very high94.8Very high30 Ų3023.8 Ų23.814%0.1413%0.128CC..Hα-helixtrans-69.2-38.8177.7-54.1-32.4-21.600113E485 V486 Y487 A491 A492 T493 L579E485-Q489 VanDerWaalsContact O-CG 3.22Å; E485-Q489 WeakPolarHBondContact O-CG 3.37Å; E485-Q489 PolarHBondContact O-N 3.28Å; V486-Q489 PolarHBondContact O-N 3.1Å; Y487-Q489 VanDerWaalsContact C-N 3.3Å; Y487-Q489 PolarHBondContact O-N 3.21Å; Q489-A491 VanDerWaalsContact C-N 3.31Å; Q489-A491 PolarHBondContact O-N 3.23Å; Q489-A492 PolarHBondContact O-N 3.08Å; Q489-T493 PolarHBondContact O-N 2.95Å; Q489-T493 PolarHBondContact O-OG1 3.36Å; Q489-L579 HydrophobicContact CB-CD1 3.74Å; Q489-L579 HydrophobicContact CB-CD2 3.44Å; Q489-L579 VanDerWaalsContact CB-CD2 3.44Å; Q489-L579 HydrophobicContact CB-CG 4.24Å; Q489-L579 HydrophobicContact CG-CD2 3.99Å
490R95.3Very high95Very high4 Ų425.1 Ų25.12%0.01513%0.131CC..Hα-helixtrans-55.9-49172.3173.9-175.8172.2-1180110.2V486 Y487 A492 T493 L494 D528 A529 D573 F574 L579V486-R490 PolarHBondContact O-N 3.01Å; Y487-R490 PolarHBondContact O-N 3.01Å; R490-A492 PolarHBondContact O-N 2.9Å; R490-T493 PolarHBondContact O-N 3.38Å; R490-L494 HydrophobicContact CG-CD1 3.91Å; R490-L494 WeakPolarHBondContact O-CG 3.4Å; R490-L494 PolarHBondContact O-N 3.09Å; R490-D528 IonicContact NH1-OD2 3.29Å; R490-D528 IonicContact NH2-OD2 3.45Å; R490-D528 PolarHBondContact NH2-OD2 3.29Å; R490-A529 HydrophobicContact CG-CB 4.32Å; R490-D573 HydrophobicContact CG-CB 4.14Å; R490-D573 IonicContact CZ-OD2 3.35Å; R490-D573 VanDerWaalsContact CZ-OD2 3.24Å; R490-D573 IonicContact NE-OD2 3.65Å; R490-D573 PolarHBondContact NE-OD2 2.99Å; R490-D573 IonicContact NH2-OD2 2.75Å; R490-D573 PolarHBondContact NH2-OD2 3.31Å; R490-F574 HydrophobicContact CB-CD1 4.13Å; R490-F574 HydrophobicContact CB-CE1 3.82Å; R490-F574 HydrophobicContact CB-CZ 4.41Å; R490-F574 HydrophobicContact CG-CE1 4.25Å; R490-F574 HydrophobicContact CG-CZ 4.4Å; R490-L579 HydrophobicContact CB-CD1 4.07Å
491A97.1Very high95.2Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-60.6-44.9178.900000111.8Y454 Y487 Q488 Q489 L494 V495Y454-A491 HydrophobicContact CE2-CB 4.15Å; Y487-A491 PolarHBondContact O-N 3.29Å; Q488-A491 PolarHBondContact O-N 3.16Å; Q489-A491 VanDerWaalsContact C-N 3.31Å; Q489-A491 PolarHBondContact O-N 3.23Å; A491-L494 PolarHBondContact O-N 3.06Å; A491-V495 WeakPolarHBondContact O-CB 3.34Å; A491-V495 VanDerWaalsContact O-CG2 3.26Å; A491-V495 WeakPolarHBondContact O-CG2 3.3Å; A491-V495 PolarHBondContact O-N 3.23Å
492A95.2Very high95.4Very high7 Ų722.8 Ų22.86%0.05812%0.116CC..Hα-helixtrans-59.5-48.2176.900000112.5Y454 Q488 Q489 R490 V495 E496Y454-A492 HydrophobicContact CD2-CB 3.87Å; Y454-A492 HydrophobicContact CE2-CB 4Å; Q488-A492 PolarHBondContact O-N 2.73Å; Q489-A492 PolarHBondContact O-N 3.08Å; R490-A492 PolarHBondContact O-N 2.9Å; A492-V495 PolarHBondContact O-N 3.28Å; A492-E496 WeakPolarHBondContact O-CB 3.03Å; A492-E496 PolarHBondContact O-N 3.47Å
493T94.3Very high95.6Very high30 Ų3026.8 Ų26.818%0.18413%0.133CC..Hα-helixtrans-63.3-42.9-179.5-650000111.9Q489 R490 E496 M497 A577Q489-T493 PolarHBondContact O-N 2.95Å; Q489-T493 PolarHBondContact O-OG1 3.36Å; R490-T493 PolarHBondContact O-N 3.38Å; T493-E496 PolarHBondContact O-N 3.12Å; T493-M497 HydrophobicContact CG2-CG 4.47Å; T493-M497 HydrophobicContact CG2-SD 4.02Å; T493-M497 WeakPolarHBondContact O-CB 3.23Å; T493-M497 VanDerWaalsContact O-CG 3.29Å; T493-M497 WeakPolarHBondContact O-CG 3.15Å; T493-M497 PolarHBondContact O-N 3.1Å; T493-A577 HydrophobicContact CG2-CB 3.97Å
494L96.7Very high95.8Very high8 Ų831.6 Ų31.64%0.04216%0.155CC..Hα-helixtrans-71.5-33.9-179.6-68.9174.9000112.6R490 A491 M497 A498 A526 A529 D573R490-L494 HydrophobicContact CG-CD1 3.91Å; R490-L494 WeakPolarHBondContact O-CG 3.4Å; R490-L494 PolarHBondContact O-N 3.09Å; A491-L494 PolarHBondContact O-N 3.06Å; L494-M497 HydrophobicContact CD2-CE 4.47Å; L494-M497 HydrophobicContact CD2-SD 3.99Å; L494-M497 PolarHBondContact O-N 2.9Å; L494-A498 WeakPolarHBondContact O-CB 3.19Å; L494-A498 PolarHBondContact O-N 2.71Å; L494-A526 HydrophobicContact CB-CB 4.44Å; L494-A529 HydrophobicContact CB-CB 4.35Å; L494-A529 HydrophobicContact CD1-CB 3.44Å; L494-A529 VanDerWaalsContact CD1-CB 3.44Å; L494-A529 HydrophobicContact CG-CB 4.48Å; L494-D573 HydrophobicContact CD1-CB 4.3Å
495V97.5Very high95.9Very high1 Ų132 Ų321%0.00616%0.156CC..Hα-helixtrans-63.3-44.7170.81710000111.1L435 Y439 L455 A491 A492 A498 A499 A526L435-V495 HydrophobicContact CB-CG1 4.28Å; L435-V495 HydrophobicContact CB-CG2 4.11Å; L435-V495 HydrophobicContact CD1-CG2 4.01Å; L435-V495 HydrophobicContact CG-CG2 4.44Å; Y439-V495 HydrophobicContact CD2-CG1 4.23Å; Y439-V495 HydrophobicContact CG-CG1 4.21Å; L455-V495 HydrophobicContact CD1-CG1 4.34Å; L455-V495 HydrophobicContact CD2-CB 4.16Å; L455-V495 HydrophobicContact CD2-CG1 3.95Å; A491-V495 WeakPolarHBondContact O-CB 3.34Å; A491-V495 VanDerWaalsContact O-CG2 3.26Å; A491-V495 WeakPolarHBondContact O-CG2 3.3Å; A491-V495 PolarHBondContact O-N 3.23Å; A492-V495 PolarHBondContact O-N 3.28Å; V495-A498 PolarHBondContact O-N 2.95Å; V495-A499 WeakPolarHBondContact O-CB 3.48Å; V495-A499 PolarHBondContact O-N 3.15Å; V495-A526 HydrophobicContact CG2-CB 4.02Å
496E95.4Very high96.1Very high21 Ų2129.4 Ų29.410%0.09815%0.146CC..Hα-helixtrans-60.6-45.2175.6178.2-176.2169.500111.6Y439 A492 T493 A498 A499 K500Y439-E496 HydrophobicContact CE2-CB 3.85Å; Y439-E496 HydrophobicContact CE2-CG 4.05Å; A492-E496 WeakPolarHBondContact O-CB 3.03Å; A492-E496 PolarHBondContact O-N 3.47Å; T493-E496 PolarHBondContact O-N 3.12Å; E496-A498 PolarHBondContact O-N 3.09Å; E496-A499 PolarHBondContact O-N 2.87Å; E496-K500 HydrophobicContact CG-CD 4.15Å; E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.5Å; E496-K500 WeakPolarHBondContact OE1-CE 3.43Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.26Å
497M95.3Very high96.4Very high56 Ų5635.6 Ų35.628%0.27617%0.174SC..Hα-helixtrans-60.4-44.2176.7-74.7174.161.200111.9T493 L494 K500 S501T493-M497 HydrophobicContact CG2-CG 4.47Å; T493-M497 HydrophobicContact CG2-SD 4.02Å; T493-M497 WeakPolarHBondContact O-CB 3.23Å; T493-M497 VanDerWaalsContact O-CG 3.29Å; T493-M497 WeakPolarHBondContact O-CG 3.15Å; T493-M497 PolarHBondContact O-N 3.1Å; L494-M497 HydrophobicContact CD2-CE 4.47Å; L494-M497 HydrophobicContact CD2-SD 3.99Å; L494-M497 PolarHBondContact O-N 2.9Å; M497-K500 PolarHBondContact O-N 3.03Å; M497-S501 WeakPolarHBondContact O-CB 3.47Å; M497-S501 PolarHBondContact O-N 2.95Å
498A97.4Very high96.4Very high1 Ų143.5 Ų43.51%0.00820%0.204CC..Hα-helixtrans-64.7-40.5177.400000112L494 V495 E496 S501 I502 D522 L523 A526L494-A498 WeakPolarHBondContact O-CB 3.19Å; L494-A498 PolarHBondContact O-N 2.71Å; V495-A498 PolarHBondContact O-N 2.95Å; E496-A498 PolarHBondContact O-N 3.09Å; A498-S501 WeakPolarHBondContact O-CB 3.3Å; A498-S501 PolarHBondContact O-N 3.47Å; A498-I502 WeakPolarHBondContact O-CG1 3.42Å; A498-I502 PolarHBondContact O-N 3.26Å; A498-D522 HydrophobicContact CB-CB 3.97Å; A498-L523 HydrophobicContact CB-CD2 4.09Å; A498-L523 HydrophobicContact CB-CG 4.44Å; A498-A526 HydrophobicContact CB-CB 3.99Å
499A96.8Very high96.4Very high7 Ų752.3 Ų52.36%0.05824%0.235CC..Hα-helixtrans-63.7-41.3175.100000112.3Y439 V495 E496 I502 Q503Y439-A499 HydrophobicContact CD1-CB 3.48Å; Y439-A499 VanDerWaalsContact CD1-CB 3.48Å; Y439-A499 HydrophobicContact CE1-CB 3.61Å; Y439-A499 HydrophobicContact CG-CB 4.28Å; V495-A499 WeakPolarHBondContact O-CB 3.48Å; V495-A499 PolarHBondContact O-N 3.15Å; E496-A499 PolarHBondContact O-N 2.87Å; A499-I502 PolarHBondContact O-N 3.47Å; A499-Q503 PolarHBondContact O-N 3Å; A499-Q503 VanDerWaalsContact O-N 3.12Å
500K95.6Very high96.7Very high85 Ų8555.7 Ų55.737%0.3725%0.249SC..Hα-helixtrans-66.3-38.9174.7-76.6175.7172.8172.80112.5E496 M497 I502 Q503 Q504E496-K500 HydrophobicContact CG-CD 4.15Å; E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.5Å; E496-K500 WeakPolarHBondContact OE1-CE 3.43Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.26Å; M497-K500 PolarHBondContact O-N 3.03Å; K500-I502 VanDerWaalsContact C-N 3.32Å; K500-I502 PolarHBondContact O-N 3.22Å; K500-Q503 WeakPolarHBondContact O-CB 3.45Å; K500-Q503 PolarHBondContact O-N 3.35Å; K500-Q503 VanDerWaalsContact O-N 3.12Å; K500-Q504 WeakPolarHBondContact O-CG 3.28Å; K500-Q504 PolarHBondContact O-N 3.42Å
501S97.4Very high96.8Very high19 Ų1957.7 Ų57.713%0.13326%0.264CS..Hα-helixtrans-55.9-47.6174.6-172.90000110.4M497 A498 Q503 Q504 E505 S519 D522M497-S501 WeakPolarHBondContact O-CB 3.47Å; M497-S501 PolarHBondContact O-N 2.95Å; A498-S501 WeakPolarHBondContact O-CB 3.3Å; A498-S501 PolarHBondContact O-N 3.47Å; S501-Q503 VanDerWaalsContact C-N 3.34Å; S501-Q503 PolarHBondContact O-N 2.84Å; S501-Q504 PolarHBondContact O-N 3.32Å; S501-E505 PolarHBondContact O-N 2.97Å; S501-S519 WeakPolarHBondContact CB-OG 3.41Å; S501-S519 PolarHBondContact O-OG 3.41Å; S501-S519 WeakPolarHBondContact OG-CB 3.39Å; S501-S519 PolarHBondContact OG-OG 2.72Å; S501-D522 VanDerWaalsContact CB-OD2 3.26Å; S501-D522 WeakPolarHBondContact CB-OD2 3.49Å; S501-D522 PolarHBondContact OG-OD2 3.43Å
502I97.9Very high96.8Very high0 Ų061.7 Ų61.70%028%0.282CS..Hα-helixtrans-61-44.4175.3-64.4166.1000110.9V436 A498 A499 K500 Q504 E505 L506 A515 W516 S519 L523V436-I502 HydrophobicContact CG1-CD1 4.17Å; V436-I502 HydrophobicContact CG2-CD1 4.17Å; A498-I502 WeakPolarHBondContact O-CG1 3.42Å; A498-I502 PolarHBondContact O-N 3.26Å; A499-I502 PolarHBondContact O-N 3.47Å; K500-I502 VanDerWaalsContact C-N 3.32Å; K500-I502 PolarHBondContact O-N 3.22Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 3.04Å; I502-E505 PolarHBondContact O-N 3.43Å; I502-L506 HydrophobicContact CG2-CD1 4.02Å; I502-L506 HydrophobicContact CG2-CG 4.4Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 2.87Å; I502-A515 HydrophobicContact CG2-CB 4.29Å; I502-W516 HydrophobicContact CD1-CE3 3.9Å; I502-W516 HydrophobicContact CD1-CZ3 3.97Å; I502-S519 WeakPolarHBondContact CA-OG 3.14Å; I502-S519 PolarHBondContact N-OG 2.71Å; I502-S519 VanDerWaalsContact N-OG 3.12Å; I502-L523 HydrophobicContact CD1-CD1 4.27Å; I502-L523 HydrophobicContact CD1-CD2 3.86Å; I502-L523 HydrophobicContact CD1-CG 4.43Å
503Q96.4Very high96.9Very high103 Ų10368 Ų6848%0.48131%0.311SS..Hα-helixtrans-62.5-39-179.5-171.4-178.51100112.2A499 K500 S501 L506 Q507A499-Q503 PolarHBondContact O-N 3Å; A499-Q503 VanDerWaalsContact O-N 3.12Å; K500-Q503 WeakPolarHBondContact O-CB 3.45Å; K500-Q503 PolarHBondContact O-N 3.35Å; K500-Q503 VanDerWaalsContact O-N 3.12Å; S501-Q503 VanDerWaalsContact C-N 3.34Å; S501-Q503 PolarHBondContact O-N 2.84Å; Q503-L506 PolarHBondContact O-N 2.91Å; Q503-Q507 VanDerWaalsContact O-CG 3.32Å; Q503-Q507 WeakPolarHBondContact O-CG 3.16Å; Q503-Q507 PolarHBondContact O-N 3.41Å
504Q97.6Very high97Very high103 Ų10370.4 Ų70.448%0.48132%0.323SS..Hα-helixtrans-64.1-42.1177.1-72.7173.23.900111.8K500 S501 I502 Q507 R508K500-Q504 WeakPolarHBondContact O-CG 3.28Å; K500-Q504 PolarHBondContact O-N 3.42Å; S501-Q504 PolarHBondContact O-N 3.32Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 3.04Å; Q504-Q507 WeakPolarHBondContact O-CB 3.42Å; Q504-Q507 PolarHBondContact O-N 2.61Å; Q504-R508 WeakPolarHBondContact O-CG 3.3Å; Q504-R508 PolarHBondContact O-N 3.41Å
505E98.2Very high97.1Very high22 Ų2270 Ų7010%0.10332%0.321CS..Hα-helixtrans-65.6-39.4175.9-70.3-61.811900112.2S501 I502 Q507 R508 R509 K510 A515 N518S501-E505 PolarHBondContact O-N 2.97Å; I502-E505 PolarHBondContact O-N 3.43Å; E505-Q507 VanDerWaalsContact C-N 3.34Å; E505-Q507 PolarHBondContact O-N 2.89Å; E505-R508 CarbonylContact O-C 3.54Å; E505-R508 WeakPolarHBondContact O-CA 3.4Å; E505-R508 WeakPolarHBondContact O-CB 3.35Å; E505-R508 PolarHBondContact O-N 3.49Å; E505-R508 VanDerWaalsContact O-N 3.1Å; E505-R508 IonicContact OE1-CZ 2.71Å; E505-R508 IonicContact OE1-NH1 2.88Å; E505-R508 PolarHBondContact OE1-NH1 3.23Å; E505-R509 PolarHBondContact O-N 3.11Å; E505-K510 HydrophobicContact CB-CB 4.5Å; E505-K510 HydrophobicContact CB-CG 4.49Å; E505-K510 WeakPolarHBondContact O-CB 3.36Å; E505-K510 WeakPolarHBondContact O-CG 3.43Å; E505-K510 PolarHBondContact O-N 3.12Å; E505-A515 HydrophobicContact CB-CB 3.62Å; E505-N518 HydrophobicContact CG-CB 3.86Å; E505-N518 PolarHBondContact OE2-ND2 3.38Å
506L97.1Very high97.1Very high62 Ų6271.8 Ų71.833%0.32533%0.327SS..Hα-helixtrans-63.1-39.4173-69173.1000111.9I502 Q503 R508 R509 A515I502-L506 HydrophobicContact CG2-CD1 4.02Å; I502-L506 HydrophobicContact CG2-CG 4.4Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 2.87Å; Q503-L506 PolarHBondContact O-N 2.91Å; L506-R508 PolarHBondContact O-N 2.9Å; L506-R509 WeakPolarHBondContact O-CA 3.14Å; L506-R509 PolarHBondContact O-N 3.03Å; L506-A515 HydrophobicContact CD2-CB 3.88Å; L506-A515 HydrophobicContact CG-CB 3.94Å
507Q97.5Very high97.3Very high137 Ų13776 Ų7664%0.6435%0.351SS*.Hα-helixtrans-63.8-28.9173.8-73.9172.2-100112.3Q503 Q504 E505 R509Q503-Q507 VanDerWaalsContact O-CG 3.32Å; Q503-Q507 WeakPolarHBondContact O-CG 3.16Å; Q503-Q507 PolarHBondContact O-N 3.41Å; Q504-Q507 WeakPolarHBondContact O-CB 3.42Å; Q504-Q507 PolarHBondContact O-N 2.61Å; E505-Q507 VanDerWaalsContact C-N 3.34Å; E505-Q507 PolarHBondContact O-N 2.89Å; Q507-R509 PolarHBondContact O-N 3.45Å
508R97Very high97.4Very high165 Ų16577.2 Ų77.262%0.62336%0.358SS*.THydrogen-bonded Turntrans-77.612.4170.2-66.5171.5177.4168.3-1.6113.5Q504 E505 L506 K510Q504-R508 WeakPolarHBondContact O-CG 3.3Å; Q504-R508 PolarHBondContact O-N 3.41Å; E505-R508 CarbonylContact O-C 3.54Å; E505-R508 WeakPolarHBondContact O-CA 3.4Å; E505-R508 WeakPolarHBondContact O-CB 3.35Å; E505-R508 PolarHBondContact O-N 3.49Å; E505-R508 VanDerWaalsContact O-N 3.1Å; E505-R508 IonicContact OE1-CZ 2.71Å; E505-R508 IonicContact OE1-NH1 2.88Å; E505-R508 PolarHBondContact OE1-NH1 3.23Å; L506-R508 PolarHBondContact O-N 2.9Å; R508-K510 HydrophobicContact CB-CG 4.5Å; R508-K510 PolarHBondContact O-N 3.5Å
509R96.1Very high97.4Very high238 Ų23877.2 Ų77.290%0.89836%0.358SS*.THydrogen-bonded Turntrans61.127.2179-53.4-177.4178.6-171.1-0.9114E505 L506 Q507E505-R509 PolarHBondContact O-N 3.11Å; L506-R509 WeakPolarHBondContact O-CA 3.14Å; L506-R509 PolarHBondContact O-N 3.03Å; Q507-R509 PolarHBondContact O-N 3.45Å
510K97.9Very high97.5Very high100 Ų10077.9 Ų77.944%0.43536%0.364SS..  trans-73.4153.6169-61.2-59.8-173.5175.40110.5E505 R508 D514E505-K510 HydrophobicContact CB-CB 4.5Å; E505-K510 HydrophobicContact CB-CG 4.49Å; E505-K510 WeakPolarHBondContact O-CB 3.36Å; E505-K510 WeakPolarHBondContact O-CG 3.43Å; E505-K510 PolarHBondContact O-N 3.12Å; R508-K510 HydrophobicContact CB-CG 4.5Å; R508-K510 PolarHBondContact O-N 3.5Å; K510-D514 HydrophobicContact CB-CB 4.1Å
511S98Very high97.6Very high46 Ų4680.1 Ų80.132%0.32238%0.378SS..  trans-63.5164.9170.868.80000110.7E513 D514 A515S511-E513 PolarHBondContact O-N 2.67Å; S511-D514 PolarHBondContact O-N 3.15Å; S511-D514 VanDerWaalsContact OG-CB 3.3Å; S511-D514 WeakPolarHBondContact OG-CB 3.46Å; S511-D514 PolarHBondContact OG-N 3.35Å; S511-D514 PolarHBondContact OG-OD2 3.44Å; S511-A515 VanDerWaalsContact O-CB 3.25Å; S511-A515 WeakPolarHBondContact O-CB 3.46Å; S511-A515 PolarHBondContact O-N 3.13Å
512Q96.6Very high97.7Very high84 Ų8481.3 Ų81.339%0.39338%0.383SS..Hα-helixtrans-65.1-34178.4-1795776.100111.5W516Q512-W516 WeakPolarHBondContact O-CB 3.41Å; Q512-W516 PolarHBondContact O-N 2.87Å
513E97.3Very high97.7Very high139 Ų13981.4 Ų81.465%0.6538%0.383SS*.Hα-helixtrans-68.2-48.8176.6-64.173.1-163.500111S511 W516 N517S511-E513 PolarHBondContact O-N 2.67Å; E513-W516 WeakPolarHBondContact O-CB 3.36Å; E513-W516 PolarHBondContact O-N 2.9Å; E513-N517 PolarHBondContact O-N 3.04Å
514D98.1Very high97.8Very high81 Ų8177.9 Ų77.943%0.43337%0.369SS..Hα-helixtrans-65.8-41.3177.6-66.7-37.9000111.4K510 S511 W516 N517 N518K510-D514 HydrophobicContact CB-CB 4.1Å; S511-D514 PolarHBondContact O-N 3.15Å; S511-D514 VanDerWaalsContact OG-CB 3.3Å; S511-D514 WeakPolarHBondContact OG-CB 3.46Å; S511-D514 PolarHBondContact OG-N 3.35Å; S511-D514 PolarHBondContact OG-OD2 3.44Å; D514-W516 VanDerWaalsContact C-N 3.31Å; D514-W516 PolarHBondContact O-N 3.23Å; D514-N517 PolarHBondContact O-N 3.15Å; D514-N518 VanDerWaalsContact O-CB 3.28Å; D514-N518 WeakPolarHBondContact O-CB 3.45Å; D514-N518 PolarHBondContact O-N 2.94Å; D514-N518 PolarHBondContact O-ND2 2.87Å; D514-N518 PolarHBondContact O-OD1 2.77Å
515A98.2Very high97.8Very high0 Ų077.2 Ų77.20%036%0.362CS..Hα-helixtrans-61.9-40.4176.100000111.6I502 E505 L506 S511 S519I502-A515 HydrophobicContact CG2-CB 4.29Å; E505-A515 HydrophobicContact CB-CB 3.62Å; L506-A515 HydrophobicContact CD2-CB 3.88Å; L506-A515 HydrophobicContact CG-CB 3.94Å; S511-A515 VanDerWaalsContact O-CB 3.25Å; S511-A515 WeakPolarHBondContact O-CB 3.46Å; S511-A515 PolarHBondContact O-N 3.13Å; A515-S519 WeakPolarHBondContact O-CB 3.3Å; A515-S519 PolarHBondContact O-N 3.35Å; A515-S519 VanDerWaalsContact O-N 3.16Å; A515-S519 PolarHBondContact O-OG 3.48Å
516W98Very high97.9Very high39 Ų3976.2 Ų76.215%0.14836%0.358CS..Hα-helixtrans-62.4-46.4173.8-178.7-87.9000111.7L429 A432 R433 I502 Q512 E513 D514 S519 A520 L523L429-W516 HydrophobicContact CB-CZ2 4.5Å; L429-W516 HydrophobicContact CD2-CZ2 4.24Å; L429-W516 WeakPolarHBondContact O-CZ2 3.38Å; A432-W516 HydrophobicContact CB-CH2 4.07Å; A432-W516 HydrophobicContact CB-CZ2 4.32Å; R433-W516 HydrophobicContact CB-CH2 4.02Å; R433-W516 HydrophobicContact CB-CZ2 4.47Å; R433-W516 HydrophobicContact CG-CH2 3.25Å; R433-W516 HydrophobicContact CG-CZ2 3.36Å; R433-W516 HydrophobicContact CG-CZ3 3.95Å; I502-W516 HydrophobicContact CD1-CE3 3.9Å; I502-W516 HydrophobicContact CD1-CZ3 3.97Å; Q512-W516 WeakPolarHBondContact O-CB 3.41Å; Q512-W516 PolarHBondContact O-N 2.87Å; E513-W516 WeakPolarHBondContact O-CB 3.36Å; E513-W516 PolarHBondContact O-N 2.9Å; D514-W516 VanDerWaalsContact C-N 3.31Å; D514-W516 PolarHBondContact O-N 3.23Å; W516-S519 CarbonylContact O-C 3.49Å; W516-S519 PolarHBondContact O-N 3.19Å; W516-A520 PolarHBondContact O-N 3.04Å; W516-A520 VanDerWaalsContact O-N 3.12Å; W516-L523 HydrophobicContact CD2-CD1 3.6Å; W516-L523 HydrophobicContact CE3-CD1 3.71Å; W516-L523 HydrophobicContact CE3-CD2 4.47Å; W516-L523 HydrophobicContact CG-CD1 4.23Å; W516-L523 HydrophobicContact CH2-CD1 3.66Å; W516-L523 HydrophobicContact CH2-CD2 3.64Å; W516-L523 HydrophobicContact CH2-CG 4.2Å; W516-L523 HydrophobicContact CZ2-CD1 3.59Å; W516-L523 HydrophobicContact CZ2-CD2 4.32Å; W516-L523 HydrophobicContact CZ2-CG 4.42Å; W516-L523 HydrophobicContact CZ3-CD1 3.75Å; W516-L523 HydrophobicContact CZ3-CD2 3.75Å; W516-L523 HydrophobicContact CZ3-CG 4.41Å
517N98.2Very high97.9Very high110 Ų11073.3 Ų73.359%0.58834%0.343SS*.Hα-helixtrans-63.9-45.6179.4-178.268.7000112.2E513 D514 S519 A520E513-N517 PolarHBondContact O-N 3.04Å; D514-N517 PolarHBondContact O-N 3.15Å; N517-S519 PolarHBondContact O-N 2.8Å; N517-A520 WeakPolarHBondContact O-CB 3.47Å; N517-A520 PolarHBondContact O-N 3.08Å
518N98.3Very high98Very high80 Ų8068.5 Ų68.543%0.42832%0.321SS..Hα-helixtrans-65.6-24.9-179.8-67.6-6.5000112.4E505 D514E505-N518 HydrophobicContact CG-CB 3.86Å; E505-N518 PolarHBondContact OE2-ND2 3.38Å; D514-N518 VanDerWaalsContact O-CB 3.28Å; D514-N518 WeakPolarHBondContact O-CB 3.45Å; D514-N518 PolarHBondContact O-N 2.94Å; D514-N518 PolarHBondContact O-ND2 2.87Å; D514-N518 PolarHBondContact O-OD1 2.77Å
519S98.4Very high98.1Very high1 Ų160.6 Ų60.61%0.00729%0.292CS..THydrogen-bonded Turntrans-97.55.7174.6-59.50000114S501 I502 A515 W516 N517 I521 D522 L523S501-S519 WeakPolarHBondContact CB-OG 3.41Å; S501-S519 PolarHBondContact O-OG 3.41Å; S501-S519 WeakPolarHBondContact OG-CB 3.39Å; S501-S519 PolarHBondContact OG-OG 2.72Å; I502-S519 WeakPolarHBondContact CA-OG 3.14Å; I502-S519 PolarHBondContact N-OG 2.71Å; I502-S519 VanDerWaalsContact N-OG 3.12Å; A515-S519 WeakPolarHBondContact O-CB 3.3Å; A515-S519 PolarHBondContact O-N 3.35Å; A515-S519 VanDerWaalsContact O-N 3.16Å; A515-S519 PolarHBondContact O-OG 3.48Å; W516-S519 CarbonylContact O-C 3.49Å; W516-S519 PolarHBondContact O-N 3.19Å; N517-S519 PolarHBondContact O-N 2.8Å; S519-I521 VanDerWaalsContact C-N 3.25Å; S519-I521 PolarHBondContact O-N 3.47Å; S519-D522 PolarHBondContact O-N 2.77Å; S519-D522 VanDerWaalsContact O-N 3.09Å; S519-L523 WeakPolarHBondContact O-CG 3.29Å; S519-L523 PolarHBondContact O-N 2.76Å
520A97.9Very high98.2Very high22 Ų2249.4 Ų49.418%0.18225%0.249CC..Hα-helixtrans-58.3-34.4-171.900000113.5L429 W516 N517 L523 V524L429-A520 HydrophobicContact CD2-CB 4.09Å; W516-A520 PolarHBondContact O-N 3.04Å; W516-A520 VanDerWaalsContact O-N 3.12Å; N517-A520 WeakPolarHBondContact O-CB 3.47Å; N517-A520 PolarHBondContact O-N 3.08Å; A520-L523 WeakPolarHBondContact O-CB 3.46Å; A520-L523 PolarHBondContact O-N 2.71Å; A520-V524 WeakPolarHBondContact O-CG2 3.43Å; A520-V524 PolarHBondContact O-N 3.12Å
521I98.1Very high98.2Very high132 Ų13244.7 Ų44.768%0.67723%0.229SC*.Hα-helixtrans-64.9-46.1177.9-60.8173.6000110.6S519 L523 V524 R525S519-I521 VanDerWaalsContact C-N 3.25Å; S519-I521 PolarHBondContact O-N 3.47Å; I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.42Å; I521-V524 PolarHBondContact O-N 3.3Å; I521-R525 WeakPolarHBondContact O-CG 3.38Å; I521-R525 PolarHBondContact O-N 2.76Å
522D98.3Very high98.3Very high44 Ų4443 Ų4324%0.23522%0.216CC..Hα-helixtrans-66.3-37.3177.5-62.3-39.5000111.3A498 S501 S519 R525 A526A498-D522 HydrophobicContact CB-CB 3.97Å; S501-D522 VanDerWaalsContact CB-OD2 3.26Å; S501-D522 WeakPolarHBondContact CB-OD2 3.49Å; S501-D522 PolarHBondContact OG-OD2 3.43Å; S519-D522 PolarHBondContact O-N 2.77Å; S519-D522 VanDerWaalsContact O-N 3.09Å; D522-R525 PolarHBondContact O-N 2.88Å; D522-A526 WeakPolarHBondContact O-CB 3.48Å; D522-A526 PolarHBondContact O-N 3.32Å
523L98.7Very high98.4Very high1 Ų139.3 Ų39.31%0.00520%0.199CC..Hα-helixtrans-63.3-42.6177-73.5166.1000112.5L429 A432 V436 A498 I502 W516 S519 A520 I521 A526 S527L429-L523 HydrophobicContact CD2-CB 3.98Å; L429-L523 HydrophobicContact CD2-CD1 4.41Å; A432-L523 HydrophobicContact CB-CB 3.77Å; A432-L523 HydrophobicContact CB-CD2 3.9Å; A432-L523 HydrophobicContact CB-CG 4.42Å; A432-L523 WeakPolarHBondContact CB-O 3.35Å; V436-L523 HydrophobicContact CG2-CD2 3.54Å; A498-L523 HydrophobicContact CB-CD2 4.09Å; A498-L523 HydrophobicContact CB-CG 4.44Å; I502-L523 HydrophobicContact CD1-CD1 4.27Å; I502-L523 HydrophobicContact CD1-CD2 3.86Å; I502-L523 HydrophobicContact CD1-CG 4.43Å; W516-L523 HydrophobicContact CD2-CD1 3.6Å; W516-L523 HydrophobicContact CE3-CD1 3.71Å; W516-L523 HydrophobicContact CE3-CD2 4.47Å; W516-L523 HydrophobicContact CG-CD1 4.23Å; W516-L523 HydrophobicContact CH2-CD1 3.66Å; W516-L523 HydrophobicContact CH2-CD2 3.64Å; W516-L523 HydrophobicContact CH2-CG 4.2Å; W516-L523 HydrophobicContact CZ2-CD1 3.59Å; W516-L523 HydrophobicContact CZ2-CD2 4.32Å; W516-L523 HydrophobicContact CZ2-CG 4.42Å; W516-L523 HydrophobicContact CZ3-CD1 3.75Å; W516-L523 HydrophobicContact CZ3-CD2 3.75Å; W516-L523 HydrophobicContact CZ3-CG 4.41Å; S519-L523 WeakPolarHBondContact O-CG 3.29Å; S519-L523 PolarHBondContact O-N 2.76Å; A520-L523 WeakPolarHBondContact O-CB 3.46Å; A520-L523 PolarHBondContact O-N 2.71Å; I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.42Å; L523-A526 PolarHBondContact O-N 3.42Å; L523-S527 PolarHBondContact O-N 3.29Å; L523-S527 VanDerWaalsContact O-N 3.15Å; L523-S527 PolarHBondContact O-OG 3.2Å
524V98.7Very high98.4Very high30 Ų3032.7 Ų32.718%0.18217%0.168CC..Hα-helixtrans-66.7-45.3174.9171.70000110.3T425 M428 L429 A520 I521 A526 S527 D528T425-V524 HydrophobicContact CG2-CG2 4.13Å; M428-V524 HydrophobicContact CB-CB 4.41Å; M428-V524 HydrophobicContact CB-CG1 4.03Å; M428-V524 HydrophobicContact CB-CG2 4.1Å; M428-V524 HydrophobicContact CG-CG1 4.24Å; L429-V524 HydrophobicContact CD2-CG2 3.89Å; L429-V524 HydrophobicContact CG-CG2 3.99Å; A520-V524 WeakPolarHBondContact O-CG2 3.43Å; A520-V524 PolarHBondContact O-N 3.12Å; I521-V524 PolarHBondContact O-N 3.3Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 2.97Å; V524-S527 PolarHBondContact O-N 2.98Å; V524-S527 VanDerWaalsContact O-N 3.1Å; V524-D528 PolarHBondContact O-N 2.85Å
525R98.3Very high98.5Very high88 Ų8828.9 Ų28.933%0.33215%0.147SC..Hα-helixtrans-59.2-38.5175.8-73.9177.467.8-1593.8112.9I521 D522 S527 A529 D573I521-R525 WeakPolarHBondContact O-CG 3.38Å; I521-R525 PolarHBondContact O-N 2.76Å; D522-R525 PolarHBondContact O-N 2.88Å; R525-S527 VanDerWaalsContact C-N 3.34Å; R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.48Å; R525-D573 IonicContact CZ-OD1 2.79Å; R525-D573 IonicContact NH2-OD1 2.74Å; R525-D573 PolarHBondContact NH2-OD1 2.93Å
526A98.5Very high98.5Very high2 Ų229 Ų292%0.01715%0.148CC..Hα-helixtrans-64.8-39.1175.200000112.3L494 V495 A498 D522 L523 V524 H530L494-A526 HydrophobicContact CB-CB 4.44Å; V495-A526 HydrophobicContact CG2-CB 4.02Å; A498-A526 HydrophobicContact CB-CB 3.99Å; D522-A526 WeakPolarHBondContact O-CB 3.48Å; D522-A526 PolarHBondContact O-N 3.32Å; L523-A526 PolarHBondContact O-N 3.42Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 2.97Å; A526-H530 WeakPolarHBondContact O-CB 3.38Å; A526-H530 PolarHBondContact O-N 3.28Å
527S98.8Very high98.5Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-71-41.8178.6-56.60000112M428 A432 L523 V524 R525 H530 C531M428-S527 WeakPolarHBondContact O-CB 3.35Å; M428-S527 PolarHBondContact O-OG 3.28Å; A432-S527 VanDerWaalsContact CA-OG 3.29Å; A432-S527 WeakPolarHBondContact CA-OG 3.35Å; A432-S527 WeakPolarHBondContact CB-OG 3.33Å; A432-S527 PolarHBondContact N-OG 2.92Å; A432-S527 VanDerWaalsContact N-OG 3.09Å; L523-S527 PolarHBondContact O-N 3.29Å; L523-S527 VanDerWaalsContact O-N 3.15Å; L523-S527 PolarHBondContact O-OG 3.2Å; V524-S527 PolarHBondContact O-N 2.98Å; V524-S527 VanDerWaalsContact O-N 3.1Å; R525-S527 VanDerWaalsContact C-N 3.34Å; S527-H530 PolarHBondContact O-N 2.87Å; S527-C531 PolarHBondContact O-N 2.74Å; S527-C531 PolarHBondContact O-SG 3.42Å
528D98.6Very high98.5Very high36 Ų3625.2 Ų25.219%0.19313%0.128CC..Hα-helixtrans-55.3-52.1170.9175.185000111F380 R490 V524 H530 C531 H532F380-D528 WeakPolarHBondContact CD2-OD1 3.49Å; F380-D528 WeakPolarHBondContact CE2-OD1 3.44Å; R490-D528 IonicContact NH1-OD2 3.29Å; R490-D528 IonicContact NH2-OD2 3.45Å; R490-D528 PolarHBondContact NH2-OD2 3.29Å; V524-D528 PolarHBondContact O-N 2.85Å; D528-H530 VanDerWaalsContact C-N 3.32Å; D528-H530 PolarHBondContact O-N 2.88Å; D528-C531 PolarHBondContact O-N 2.97Å; D528-C531 VanDerWaalsContact O-N 3.15Å; D528-H532 WeakPolarHBondContact O-CB 3.4Å; D528-H532 PolarHBondContact O-N 2.9Å
529A98.6Very high98.5Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-63.3-37.9-178.600000113.2R490 L494 R525 Y533R490-A529 HydrophobicContact CG-CB 4.32Å; L494-A529 HydrophobicContact CB-CB 4.35Å; L494-A529 HydrophobicContact CD1-CB 3.44Å; L494-A529 VanDerWaalsContact CD1-CB 3.44Å; L494-A529 HydrophobicContact CG-CB 4.48Å; R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.48Å; A529-Y533 WeakPolarHBondContact O-CB 3.24Å; A529-Y533 PolarHBondContact O-N 2.82Å
530H98.7Very high98.4Very high3 Ų322.2 Ų22.21%0.01411%0.112CC..Hα-helixtrans-60.3-51.3171.8176.571.7000111.3L435 Y454 A526 S527 D528 H532 Y533 V534L435-H530 HydrophobicContact CD1-CB 3.74Å; L435-H530 HydrophobicContact CD2-CB 4.31Å; Y454-H530 AromaticContact CE1-CE1 3.91Å; Y454-H530 AromaticContact CE1-ND1 3.59Å; Y454-H530 AromaticContact CZ-ND1 3.65Å; Y454-H530 PolarHBondContact OH-ND1 3.18Å; A526-H530 WeakPolarHBondContact O-CB 3.38Å; A526-H530 PolarHBondContact O-N 3.28Å; S527-H530 PolarHBondContact O-N 2.87Å; D528-H530 VanDerWaalsContact C-N 3.32Å; D528-H530 PolarHBondContact O-N 2.88Å; H530-H532 PolarHBondContact O-N 3.06Å; H530-Y533 WeakPolarHBondContact O-CB 3.48Å; H530-Y533 PolarHBondContact O-N 2.84Å; H530-V534 WeakPolarHBondContact O-CG2 3.27Å; H530-V534 PolarHBondContact O-N 2.86Å
531C98.8Very high98.4Very high0 Ų023.9 Ų23.90%012%0.118CC..Hα-helixtrans-62.3-42.6-179.1-64.70000111.9G376 L377 F380 S527 D528 Y533 V534 V535G376-C531 WeakPolarHBondContact CA-SG 3.31Å; L377-C531 HydrophobicContact CD2-CB 4.15Å; F380-C531 HydrophobicContact CB-CB 3.78Å; F380-C531 HydrophobicContact CD1-CB 4.42Å; F380-C531 HydrophobicContact CD2-CB 4.08Å; F380-C531 HydrophobicContact CG-CB 3.83Å; S527-C531 PolarHBondContact O-N 2.74Å; S527-C531 PolarHBondContact O-SG 3.42Å; D528-C531 PolarHBondContact O-N 2.97Å; D528-C531 VanDerWaalsContact O-N 3.15Å; C531-Y533 VanDerWaalsContact C-N 3.33Å; C531-Y533 PolarHBondContact O-N 2.97Å; C531-V534 WeakPolarHBondContact O-CB 3.09Å; C531-V534 PolarHBondContact O-N 2.79Å; C531-V534 VanDerWaalsContact O-N 3.1Å; C531-V535 WeakPolarHBondContact O-CG2 3.11Å; C531-V535 PolarHBondContact O-N 3.41Å
532H98.8Very high98.3Very high12 Ų1220.6 Ų20.66%0.05610%0.099CC..Hα-helixtrans-62.4-40.3177.2-159.9163.4000111.4F380 Y487 D528 H530 V534 V535 V536F380-H532 HydrophobicContact CE2-CB 3.87Å; F380-H532 HydrophobicContact CZ-CB 3.76Å; F380-H532 AromaticContact CZ-CG 3.73Å; Y487-H532 HydrophobicContact CE1-CB 4.43Å; Y487-H532 AromaticContact CE1-CD2 3.4Å; Y487-H532 VanDerWaalsContact CE1-CD2 3.4Å; Y487-H532 WeakPolarHBondContact CE1-CD2 3.48Å; Y487-H532 AromaticContact CE1-CE1 3.78Å; Y487-H532 AromaticContact CE1-CG 3.66Å; Y487-H532 AromaticContact CE1-ND1 3.89Å; Y487-H532 AromaticContact CE1-NE2 3.45Å; Y487-H532 WeakPolarHBondContact CE1-NE2 3.49Å; Y487-H532 AromaticContact CZ-NE2 3.77Å; Y487-H532 PolarHBondContact OH-NE2 3.47Å; D528-H532 WeakPolarHBondContact O-CB 3.4Å; D528-H532 PolarHBondContact O-N 2.9Å; H530-H532 PolarHBondContact O-N 3.06Å; H532-V534 PolarHBondContact O-N 2.83Å; H532-V535 PolarHBondContact O-N 2.75Å; H532-V536 WeakPolarHBondContact O-CG2 3.34Å; H532-V536 PolarHBondContact O-N 3.22Å; H532-V536 VanDerWaalsContact O-N 3.12Å
533Y98.6Very high98.2Very high6 Ų618.9 Ų18.92%0.0249%0.089CC..Hα-helixtrans-58.1-46.6170.5153.3-106.4000112I451 Y454 V484 Q488 A529 H530 C531 V535 V536 K537I451-Y533 HydrophobicContact CD1-CE1 4.38Å; Y454-Y533 HydrophobicContact CD1-CD1 4.41Å; Y454-Y533 AromaticContact CD1-CE1 3.75Å; Y454-Y533 HydrophobicContact CD1-CE1 3.75Å; Y454-Y533 HydrophobicContact CE1-CD1 4.12Å; Y454-Y533 AromaticContact CE1-CE1 3.83Å; Y454-Y533 HydrophobicContact CE1-CE1 3.83Å; V484-Y533 HydrophobicContact CG1-CE2 4.21Å; Q488-Y533 HydrophobicContact CB-CD2 3.74Å; Q488-Y533 HydrophobicContact CB-CE2 3.52Å; Q488-Y533 HydrophobicContact CG-CD2 4.32Å; Q488-Y533 HydrophobicContact CG-CE2 3.78Å; Q488-Y533 PolarHBondContact OE1-OH 2.78Å; A529-Y533 WeakPolarHBondContact O-CB 3.24Å; A529-Y533 PolarHBondContact O-N 2.82Å; H530-Y533 WeakPolarHBondContact O-CB 3.48Å; H530-Y533 PolarHBondContact O-N 2.84Å; C531-Y533 VanDerWaalsContact C-N 3.33Å; C531-Y533 PolarHBondContact O-N 2.97Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.28Å; Y533-V536 PolarHBondContact O-N 3.06Å; Y533-K537 HydrophobicContact CD2-CB 4.45Å; Y533-K537 HydrophobicContact CE1-CD 4.44Å; Y533-K537 HydrophobicContact CE2-CB 4.09Å; Y533-K537 HydrophobicContact CE2-CD 4.04Å; Y533-K537 WeakPolarHBondContact O-CB 3.48Å; Y533-K537 PolarHBondContact O-N 2.66Å; Y533-K537 WeakPolarHBondContact OH-CD 3.47Å
534V98.6Very high98Very high0 Ų025.8 Ų25.80%012%0.119CC..Hα-helixtrans-58.4-44.9179.11760000110.9Y347 L373 L377 I451 H530 C531 H532 V536 K537 V538Y347-V534 HydrophobicContact CE1-CG1 4.33Å; L373-V534 HydrophobicContact CD1-CG1 4.25Å; L373-V534 HydrophobicContact CD1-CG2 4.14Å; L377-V534 HydrophobicContact CD1-CG1 4.26Å; L377-V534 HydrophobicContact CD2-CB 4.44Å; L377-V534 HydrophobicContact CD2-CG1 4.35Å; I451-V534 HydrophobicContact CD1-CG1 4.41Å; I451-V534 HydrophobicContact CD1-CG2 3.99Å; I451-V534 HydrophobicContact CG1-CG1 4.45Å; I451-V534 HydrophobicContact CG1-CG2 3.47Å; I451-V534 VanDerWaalsContact CG1-CG2 3.47Å; H530-V534 WeakPolarHBondContact O-CG2 3.27Å; H530-V534 PolarHBondContact O-N 2.86Å; C531-V534 WeakPolarHBondContact O-CB 3.09Å; C531-V534 PolarHBondContact O-N 2.79Å; C531-V534 VanDerWaalsContact O-N 3.1Å; H532-V534 PolarHBondContact O-N 2.83Å; V534-V536 PolarHBondContact O-N 2.75Å; V534-K537 PolarHBondContact O-N 3.04Å; V534-V538 HydrophobicContact CG1-CG2 4.08Å; V534-V538 WeakPolarHBondContact O-CB 3.43Å; V534-V538 VanDerWaalsContact O-CG2 3.28Å; V534-V538 WeakPolarHBondContact O-CG2 3.39Å; V534-V538 PolarHBondContact O-N 3.1Å
535V98.8Very high97.8Very high0 Ų027.7 Ų27.70%015%0.145CC..Hα-helixtrans-61-47.6179.3178.90000111.4A340 F341 V344 L377 F380 C531 H532 Y533 K537 V538 F539 Y562A340-V535 HydrophobicContact CB-CG1 3.66Å; F341-V535 HydrophobicContact CD1-CG1 4.18Å; F341-V535 HydrophobicContact CE1-CG1 4.18Å; F341-V535 HydrophobicContact CE1-CG2 4.28Å; V344-V535 HydrophobicContact CG2-CB 4.15Å; V344-V535 HydrophobicContact CG2-CG1 4.01Å; V344-V535 HydrophobicContact CG2-CG2 4.03Å; L377-V535 HydrophobicContact CD2-CG2 4.1Å; F380-V535 HydrophobicContact CD1-CG2 4.06Å; F380-V535 HydrophobicContact CE1-CG2 3.87Å; C531-V535 WeakPolarHBondContact O-CG2 3.11Å; C531-V535 PolarHBondContact O-N 3.41Å; H532-V535 PolarHBondContact O-N 2.75Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.28Å; V535-K537 PolarHBondContact O-N 2.87Å; V535-V538 PolarHBondContact O-N 2.86Å; V535-F539 WeakPolarHBondContact O-CB 3.45Å; V535-F539 PolarHBondContact O-N 3.05Å; V535-Y562 HydrophobicContact CB-CE1 4.22Å; V535-Y562 HydrophobicContact CG1-CE1 3.54Å; V535-Y562 VanDerWaalsContact CG1-OH 3.31Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.37Å
536V98.6Very high97.7Very high2 Ų224.2 Ų24.21%0.01213%0.134CC..Hα-helixtrans-62.9-42.8178.5177.80000111.1V484 Y487 H532 Y533 V534 F539 N540 Y562 A563V484-V536 HydrophobicContact CG2-CG1 3.87Å; Y487-V536 HydrophobicContact CD1-CG2 4.03Å; Y487-V536 HydrophobicContact CD2-CG1 4.25Å; Y487-V536 HydrophobicContact CD2-CG2 4.17Å; Y487-V536 HydrophobicContact CE1-CG2 3.93Å; Y487-V536 HydrophobicContact CE2-CG2 4.08Å; Y487-V536 HydrophobicContact CG-CB 4.43Å; Y487-V536 HydrophobicContact CG-CG2 4.12Å; H532-V536 WeakPolarHBondContact O-CG2 3.34Å; H532-V536 PolarHBondContact O-N 3.22Å; H532-V536 VanDerWaalsContact O-N 3.12Å; Y533-V536 PolarHBondContact O-N 3.06Å; V534-V536 PolarHBondContact O-N 2.75Å; V536-F539 PolarHBondContact O-N 3.05Å; V536-N540 WeakPolarHBondContact O-CB 3.08Å; V536-N540 PolarHBondContact O-N 2.89Å; V536-Y562 HydrophobicContact CG2-CD1 3.98Å; V536-Y562 HydrophobicContact CG2-CE1 3.72Å; V536-A563 HydrophobicContact CG1-CB 4.18Å; V536-A563 HydrophobicContact CG2-CB 4.49Å
537K98.2Very high97.6Very high59 Ų5927.8 Ų27.826%0.25717%0.171SC..Hα-helixtrans-62-48.4177.3171.9169.3168.3490112I451 V484 Y533 V534 V535 F539 N540 D541I451-K537 HydrophobicContact CD1-CD 4.19Å; V484-K537 HydrophobicContact CG1-CB 4.15Å; Y533-K537 HydrophobicContact CD2-CB 4.45Å; Y533-K537 HydrophobicContact CE1-CD 4.44Å; Y533-K537 HydrophobicContact CE2-CB 4.09Å; Y533-K537 HydrophobicContact CE2-CD 4.04Å; Y533-K537 WeakPolarHBondContact O-CB 3.48Å; Y533-K537 PolarHBondContact O-N 2.66Å; Y533-K537 WeakPolarHBondContact OH-CD 3.47Å; V534-K537 PolarHBondContact O-N 3.04Å; V535-K537 PolarHBondContact O-N 2.87Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 3.25Å; K537-N540 PolarHBondContact O-N 3.12Å; K537-D541 WeakPolarHBondContact CG-OD2 3.33Å; K537-D541 IonicContact NZ-OD1 2.73Å; K537-D541 IonicContact NZ-OD2 3.24Å; K537-D541 PolarHBondContact NZ-OD2 3.18Å; K537-D541 WeakPolarHBondContact O-CB 3.28Å; K537-D541 PolarHBondContact O-N 3.07Å
538V98.1Very high97.5Very high12 Ų1229.9 Ų29.97%0.07318%0.182CC..Hα-helixtrans-64.2-39.9-179.1169.60000110.9F343 V344 Y347 V534 V535 D541 K542F343-V538 HydrophobicContact CB-CG1 4.25Å; V344-V538 HydrophobicContact CG2-CB 3.94Å; V344-V538 HydrophobicContact CG2-CG1 3.89Å; V344-V538 HydrophobicContact CG2-CG2 4.47Å; Y347-V538 HydrophobicContact CD1-CG2 3.85Å; Y347-V538 HydrophobicContact CD2-CG2 4.21Å; Y347-V538 HydrophobicContact CE1-CG2 4.02Å; Y347-V538 HydrophobicContact CE2-CG2 4.38Å; Y347-V538 HydrophobicContact CG-CG1 4.3Å; Y347-V538 HydrophobicContact CG-CG2 3.93Å; V534-V538 HydrophobicContact CG1-CG2 4.08Å; V534-V538 WeakPolarHBondContact O-CB 3.43Å; V534-V538 VanDerWaalsContact O-CG2 3.28Å; V534-V538 WeakPolarHBondContact O-CG2 3.39Å; V534-V538 PolarHBondContact O-N 3.1Å; V535-V538 PolarHBondContact O-N 2.86Å; V538-D541 PolarHBondContact O-N 3.42Å; V538-K542 WeakPolarHBondContact O-CB 3.27Å; V538-K542 PolarHBondContact O-N 2.91Å
539F98.3Very high97.5Very high2 Ų233.9 Ų33.91%0.00921%0.208CC..Hα-helixtrans-62.3-47.3175.4-159.2167.1000110.9A340 F343 V535 V536 K537 D541 K542 L543 L558 A559A340-F539 HydrophobicContact CB-CD1 3.51Å; A340-F539 HydrophobicContact CB-CE1 3.89Å; A340-F539 HydrophobicContact CB-CG 4.36Å; F343-F539 AromaticContact CD2-CD2 3.68Å; F343-F539 HydrophobicContact CD2-CD2 3.68Å; F343-F539 AromaticContact CD2-CE2 3.88Å; F343-F539 HydrophobicContact CD2-CE2 3.88Å; F343-F539 HydrophobicContact CD2-CG 4.35Å; F343-F539 AromaticContact CE2-CD2 3.83Å; F343-F539 HydrophobicContact CE2-CD2 3.83Å; F343-F539 AromaticContact CE2-CE2 3.57Å; F343-F539 HydrophobicContact CE2-CE2 3.57Å; F343-F539 HydrophobicContact CE2-CZ 4.35Å; V535-F539 WeakPolarHBondContact O-CB 3.45Å; V535-F539 PolarHBondContact O-N 3.05Å; V536-F539 PolarHBondContact O-N 3.05Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 3.25Å; F539-D541 PolarHBondContact O-N 2.86Å; F539-K542 PolarHBondContact O-N 3.27Å; F539-L543 PolarHBondContact O-N 3.04Å; F539-L558 HydrophobicContact CE1-CB 4.49Å; F539-L558 HydrophobicContact CZ-CB 4.01Å; F539-A559 HydrophobicContact CD1-CB 3.9Å; F539-A559 HydrophobicContact CD2-CB 3.97Å; F539-A559 HydrophobicContact CE1-CB 3.88Å; F539-A559 HydrophobicContact CE2-CB 3.91Å; F539-A559 HydrophobicContact CG-CB 3.96Å; F539-A559 HydrophobicContact CZ-CB 3.88Å
540N97.7Very high97.5Very high15 Ų1535.6 Ų35.68%0.0822%0.222CC..Hα-helixtrans-60.3-42175.3-179.172.1000113L480 V484 V536 K537 K542 L543L480-N540 HydrophobicContact CD2-CB 3.83Å; L480-N540 WeakPolarHBondContact CD2-OD1 3.35Å; L480-N540 HydrophobicContact CG-CB 4.06Å; L480-N540 WeakPolarHBondContact CG-OD1 3.48Å; V484-N540 HydrophobicContact CG2-CB 3.65Å; V536-N540 WeakPolarHBondContact O-CB 3.08Å; V536-N540 PolarHBondContact O-N 2.89Å; K537-N540 PolarHBondContact O-N 3.12Å; N540-K542 VanDerWaalsContact C-N 3.34Å; N540-L543 PolarHBondContact O-N 3.3Å
541D96.6Very high97.5Very high57 Ų5735.4 Ų35.431%0.30522%0.221SC..Hα-helixtrans-67.6-35.4179-72.6-24.6000111.8K537 V538 F539 L543 K544K537-D541 WeakPolarHBondContact CG-OD2 3.33Å; K537-D541 IonicContact NZ-OD1 2.73Å; K537-D541 IonicContact NZ-OD2 3.24Å; K537-D541 PolarHBondContact NZ-OD2 3.18Å; K537-D541 WeakPolarHBondContact O-CB 3.28Å; K537-D541 PolarHBondContact O-N 3.07Å; V538-D541 PolarHBondContact O-N 3.42Å; F539-D541 PolarHBondContact O-N 2.86Å; D541-L543 VanDerWaalsContact C-N 3.34Å; D541-L543 PolarHBondContact O-N 3.16Å; D541-K544 WeakPolarHBondContact O-CB 3.37Å; D541-K544 PolarHBondContact O-N 3.11Å; D541-K544 IonicContact OD1-NZ 3.53Å; D541-K544 PolarHBondContact OD1-NZ 2.89Å
542K96.4Very high97.5Very high64 Ų6438.8 Ų38.828%0.27824%0.237SC..Hα-helixtrans-63.2-39.1174.8-172.671.9178.1-163.10112.2F343 V538 F539 N540 K544 G545F343-K542 HydrophobicContact CB-CB 4.41Å; F343-K542 HydrophobicContact CB-CG 4.4Å; F343-K542 HydrophobicContact CD1-CD 3.94Å; F343-K542 HydrophobicContact CD1-CG 3.64Å; F343-K542 HydrophobicContact CD2-CB 4.18Å; F343-K542 HydrophobicContact CD2-CG 3.98Å; F343-K542 HydrophobicContact CE1-CD 4.25Å; F343-K542 HydrophobicContact CE1-CG 3.78Å; F343-K542 HydrophobicContact CE2-CG 4.11Å; F343-K542 HydrophobicContact CG-CB 4.13Å; F343-K542 HydrophobicContact CG-CD 4.37Å; F343-K542 HydrophobicContact CG-CG 3.74Å; F343-K542 HydrophobicContact CZ-CG 4.01Å; V538-K542 WeakPolarHBondContact O-CB 3.27Å; V538-K542 PolarHBondContact O-N 2.91Å; F539-K542 PolarHBondContact O-N 3.27Å; N540-K542 VanDerWaalsContact C-N 3.34Å; K542-K544 PolarHBondContact O-N 3.19Å; K542-G545 PolarHBondContact O-N 2.9Å
543L96.5Very high97.4Very high7 Ų741.6 Ų41.64%0.03726%0.258CS..Hα-helixtrans-57.7-35.4178.6-72.5172.1000112.6L480 F539 N540 D541 G545 V546 H552 L555 A559L480-L543 HydrophobicContact CD2-CD1 3.43Å; L480-L543 VanDerWaalsContact CD2-CD1 3.43Å; F539-L543 PolarHBondContact O-N 3.04Å; N540-L543 PolarHBondContact O-N 3.3Å; D541-L543 VanDerWaalsContact C-N 3.34Å; D541-L543 PolarHBondContact O-N 3.16Å; L543-G545 PolarHBondContact O-N 3.49Å; L543-G545 VanDerWaalsContact O-N 3.12Å; L543-V546 WeakPolarHBondContact O-CB 3.37Å; L543-V546 PolarHBondContact O-N 3.35Å; L543-H552 PolarHBondContact O-CD2 3.19Å; L543-H552 VanDerWaalsContact O-CD2 3.27Å; L543-L555 HydrophobicContact CD2-CB 3.43Å; L543-L555 VanDerWaalsContact CD2-CB 3.43Å; L543-L555 HydrophobicContact CD2-CD1 4.45Å; L543-A559 HydrophobicContact CD1-CB 3.92Å
544K95.1Very high97.4Very high146 Ų14641.6 Ų41.664%0.63526%0.258SS*.THydrogen-bonded Turntrans-60.1-24.2177.7-60.7171.4-176.4164.10113.2D541 K542D541-K544 WeakPolarHBondContact O-CB 3.37Å; D541-K544 PolarHBondContact O-N 3.11Å; D541-K544 IonicContact OD1-NZ 3.53Å; D541-K544 PolarHBondContact OD1-NZ 2.89Å; K542-K544 PolarHBondContact O-N 3.19Å
545G94Very high97.4Very high71 Ų7141.6 Ų41.673%0.73226%0.258SS*.THydrogen-bonded Turntrans-91.7-2.1176.900000114.7K542 L543 G547K542-G545 PolarHBondContact O-N 2.9Å; L543-G545 PolarHBondContact O-N 3.49Å; L543-G545 VanDerWaalsContact O-N 3.12Å; G545-G547 PolarHBondContact O-N 2.91Å
546V96.3Very high97.4Very high15 Ų1542.7 Ų42.79%0.09127%0.266CS..  trans-89.3105.9-178.5-179.40000109.8I22 L543 I551 H552 L555I22-V546 HydrophobicContact CD1-CG1 4.12Å; L543-V546 WeakPolarHBondContact O-CB 3.37Å; L543-V546 PolarHBondContact O-N 3.35Å; V546-I551 HydrophobicContact CG1-CB 4.15Å; V546-I551 HydrophobicContact CG1-CG2 3.88Å; V546-H552 HydrophobicContact CB-CB 4.36Å; V546-H552 HydrophobicContact CG1-CB 3.95Å; V546-L555 HydrophobicContact CG2-CD1 4.14Å
547G95.5Very high97.4Very high77 Ų7743.4 Ų43.479%0.79427%0.27SS*.  trans-80.7-26.1-178.400000115.5G545 T549G545-G547 PolarHBondContact O-N 2.91Å; G547-T549 PolarHBondContact O-N 2.83Å
548D97.9Very high97.5Very high44 Ų4440.6 Ų40.624%0.23526%0.258CS..  trans-77.6119.5179.3-174.3-67.9000110.4K18 A550 I551 H552K18-D548 WeakPolarHBondContact CD-OD2 3.33Å; K18-D548 IonicContact NZ-OD2 2.76Å; K18-D548 PolarHBondContact NZ-OD2 2.91Å; D548-A550 PolarHBondContact O-N 3.3Å; D548-A550 PolarHBondContact OD1-N 2.98Å; D548-A550 VanDerWaalsContact OD1-N 3.09Å; D548-I551 HydrophobicContact CB-CB 4.18Å; D548-I551 HydrophobicContact CB-CD1 4.03Å; D548-I551 HydrophobicContact CB-CG1 4.23Å; D548-I551 PolarHBondContact O-N 3.43Å; D548-I551 PolarHBondContact OD1-N 3.18Å; D548-I551 VanDerWaalsContact OD1-N 3.14Å; D548-H552 VanDerWaalsContact O-CB 3.32Å; D548-H552 WeakPolarHBondContact O-CB 3.31Å; D548-H552 PolarHBondContact O-N 3.37Å
549T97.9Very high97.5Very high119 Ų11940.1 Ų40.173%0.7326%0.256SS*.Hα-helixtrans-63.1-38.3-172.7-49.70000113.2G547 S553G547-T549 PolarHBondContact O-N 2.83Å; T549-S553 WeakPolarHBondContact O-CB 3.32Å; T549-S553 PolarHBondContact O-N 3.06Å
550A98.3Very high97.5Very high36 Ų3641 Ų4130%0.29826%0.26SS..Hα-helixtrans-69.2-42.7-179.300000110.7S13 F14 D548 S553 V554S13-A550 WeakPolarHBondContact O-CB 3.38Å; F14-A550 HydrophobicContact CB-CB 3.99Å; D548-A550 PolarHBondContact O-N 3.3Å; D548-A550 PolarHBondContact OD1-N 2.98Å; D548-A550 VanDerWaalsContact OD1-N 3.09Å; A550-S553 WeakPolarHBondContact O-CB 3.29Å; A550-S553 PolarHBondContact O-N 3.45Å; A550-V554 PolarHBondContact O-N 2.96Å; A550-V554 VanDerWaalsContact O-N 3.11Å
551I98.6Very high97.5Very high0 Ų040.2 Ų40.20%026%0.256CS..Hα-helixtrans-67.3-44.5176-63.1175.2000111.1F14 K18 L19 I22 V546 D548 S553 V554 L555F14-I551 HydrophobicContact CB-CG1 4.16Å; F14-I551 HydrophobicContact CD2-CG1 4.22Å; K18-I551 HydrophobicContact CB-CD1 3.49Å; K18-I551 VanDerWaalsContact CB-CD1 3.49Å; L19-I551 HydrophobicContact CB-CD1 4.15Å; L19-I551 HydrophobicContact CD1-CG2 3.79Å; I22-I551 HydrophobicContact CD1-CD1 4.15Å; I22-I551 HydrophobicContact CD1-CG2 3.8Å; V546-I551 HydrophobicContact CG1-CB 4.15Å; V546-I551 HydrophobicContact CG1-CG2 3.88Å; D548-I551 HydrophobicContact CB-CB 4.18Å; D548-I551 HydrophobicContact CB-CD1 4.03Å; D548-I551 HydrophobicContact CB-CG1 4.23Å; D548-I551 PolarHBondContact O-N 3.43Å; D548-I551 PolarHBondContact OD1-N 3.18Å; D548-I551 VanDerWaalsContact OD1-N 3.14Å; I551-S553 PolarHBondContact O-N 3.04Å; I551-V554 WeakPolarHBondContact O-CG1 3.27Å; I551-V554 PolarHBondContact O-N 3.37Å; I551-L555 HydrophobicContact CG2-CD1 3.68Å; I551-L555 HydrophobicContact CG2-CG 4.01Å; I551-L555 WeakPolarHBondContact O-CB 3.49Å; I551-L555 WeakPolarHBondContact O-CG 3.39Å; I551-L555 PolarHBondContact O-N 3.49Å
552H98.4Very high97.7Very high71 Ų7138 Ų3833%0.32924%0.244SC..Hα-helixtrans-55.6-43.8175.1-176.5-71.1000110.3L543 V546 D548 S556L543-H552 PolarHBondContact O-CD2 3.19Å; L543-H552 VanDerWaalsContact O-CD2 3.27Å; V546-H552 HydrophobicContact CB-CB 4.36Å; V546-H552 HydrophobicContact CG1-CB 3.95Å; D548-H552 VanDerWaalsContact O-CB 3.32Å; D548-H552 WeakPolarHBondContact O-CB 3.31Å; D548-H552 PolarHBondContact O-N 3.37Å; H552-S556 PolarHBondContact CE1-OG 3.36Å; H552-S556 PolarHBondContact ND1-OG 3.5Å; H552-S556 WeakPolarHBondContact O-CB 3.27Å; H552-S556 PolarHBondContact O-N 3.09Å; H552-S556 PolarHBondContact O-OG 3.28Å
553S98.2Very high97.8Very high71 Ų7135 Ų3550%0.49723%0.23SC..Hα-helixtrans-61.4-51.6178.9-171.60000112.2T549 A550 I551 S556 T557T549-S553 WeakPolarHBondContact O-CB 3.32Å; T549-S553 PolarHBondContact O-N 3.06Å; A550-S553 WeakPolarHBondContact O-CB 3.29Å; A550-S553 PolarHBondContact O-N 3.45Å; I551-S553 PolarHBondContact O-N 3.04Å; S553-S556 WeakPolarHBondContact O-CB 3.4Å; S553-S556 PolarHBondContact O-N 3.36Å; S553-T557 PolarHBondContact O-N 3.43Å; S553-T557 PolarHBondContact O-OG1 3.4Å; S553-T557 VanDerWaalsContact O-OG1 3.09Å
554V98.6Very high97.8Very high5 Ų534.7 Ų34.73%0.0323%0.229CC..Hα-helixtrans-68-38.1-177.2730000112.4F14 A550 I551 S556 T557 L558 L599 N602 L606F14-V554 HydrophobicContact CD1-CB 4.29Å; F14-V554 HydrophobicContact CD1-CG1 3.88Å; F14-V554 HydrophobicContact CD1-CG2 4.32Å; F14-V554 HydrophobicContact CE1-CG1 4.21Å; F14-V554 HydrophobicContact CE1-CG2 4.28Å; F14-V554 HydrophobicContact CG-CG1 4.07Å; A550-V554 PolarHBondContact O-N 2.96Å; A550-V554 VanDerWaalsContact O-N 3.11Å; I551-V554 WeakPolarHBondContact O-CG1 3.27Å; I551-V554 PolarHBondContact O-N 3.37Å; V554-S556 VanDerWaalsContact C-N 3.33Å; V554-T557 WeakPolarHBondContact O-CB 3.44Å; V554-T557 PolarHBondContact O-N 3.09Å; V554-L558 PolarHBondContact O-N 3.3Å; V554-L599 HydrophobicContact CG2-CD2 4.22Å; V554-N602 HydrophobicContact CG2-CB 4.12Å; V554-L606 HydrophobicContact CG1-CD2 4.23Å; V554-L606 HydrophobicContact CG2-CD1 3.94Å; V554-L606 HydrophobicContact CG2-CD2 3.93Å; V554-L606 HydrophobicContact CG2-CG 4.22Å
555L98.6Very high98Very high0 Ų029.4 Ų29.40%021%0.206CC..Hα-helixtrans-68.1-34.4175.1-68.6-178000111.7L19 Y339 F343 L543 V546 I551 L558 A559L19-L555 HydrophobicContact CD1-CD1 4.02Å; L19-L555 HydrophobicContact CD1-CD2 4.14Å; L19-L555 HydrophobicContact CD1-CG 4.35Å; Y339-L555 HydrophobicContact CD1-CD2 3.65Å; Y339-L555 HydrophobicContact CE1-CD2 3.82Å; Y339-L555 HydrophobicContact CG-CD2 4.38Å; F343-L555 HydrophobicContact CZ-CD1 4.3Å; L543-L555 HydrophobicContact CD2-CB 3.43Å; L543-L555 VanDerWaalsContact CD2-CB 3.43Å; L543-L555 HydrophobicContact CD2-CD1 4.45Å; V546-L555 HydrophobicContact CG2-CD1 4.14Å; I551-L555 HydrophobicContact CG2-CD1 3.68Å; I551-L555 HydrophobicContact CG2-CG 4.01Å; I551-L555 WeakPolarHBondContact O-CB 3.49Å; I551-L555 WeakPolarHBondContact O-CG 3.39Å; I551-L555 PolarHBondContact O-N 3.49Å; L555-L558 HydrophobicContact CD2-CD1 4.16Å; L555-L558 PolarHBondContact O-N 3.35Å; L555-A559 WeakPolarHBondContact O-CB 3.35Å; L555-A559 PolarHBondContact O-N 3Å
556S98.4Very high98.2Very high24 Ų2426.2 Ų26.217%0.16817%0.173CC..Hα-helixtrans-63.6-41.7173.3-62.10000111.1H552 S553 V554 A559 L560H552-S556 PolarHBondContact CE1-OG 3.36Å; H552-S556 PolarHBondContact ND1-OG 3.5Å; H552-S556 WeakPolarHBondContact O-CB 3.27Å; H552-S556 PolarHBondContact O-N 3.09Å; H552-S556 PolarHBondContact O-OG 3.28Å; S553-S556 WeakPolarHBondContact O-CB 3.4Å; S553-S556 PolarHBondContact O-N 3.36Å; V554-S556 VanDerWaalsContact C-N 3.33Å; S556-A559 PolarHBondContact O-N 3.32Å; S556-L560 WeakPolarHBondContact O-CB 3.38Å; S556-L560 WeakPolarHBondContact O-CG 3.48Å; S556-L560 PolarHBondContact O-N 2.88Å
557T98.6Very high98.2Very high17 Ų1725.5 Ų25.510%0.10417%0.169CC..Hα-helixtrans-61.2-42.5173.8-55.20000111.7S553 V554 L561 L595 Q598 L599S553-T557 PolarHBondContact O-N 3.43Å; S553-T557 PolarHBondContact O-OG1 3.4Å; S553-T557 VanDerWaalsContact O-OG1 3.09Å; V554-T557 WeakPolarHBondContact O-CB 3.44Å; V554-T557 PolarHBondContact O-N 3.09Å; T557-L561 WeakPolarHBondContact O-CB 3.41Å; T557-L561 PolarHBondContact O-N 2.96Å; T557-L595 HydrophobicContact CG2-CB 4.47Å; T557-L595 HydrophobicContact CG2-CD2 3.68Å; T557-Q598 HydrophobicContact CG2-CB 4.23Å; T557-L599 HydrophobicContact CG2-CD1 4.16Å; T557-L599 HydrophobicContact CG2-CD2 3.69Å; T557-L599 HydrophobicContact CG2-CG 3.63Å
558L98.8Very high98.3Very high0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-63.2-45.3173.6-72.1175.4000111.9L335 S336 Y339 F539 V554 L555 L561 Y562 L599 L606L335-L558 HydrophobicContact CD2-CD2 4.45Å; L335-L558 HydrophobicContact CG-CD2 4.34Å; S336-L558 WeakPolarHBondContact CB-O 3.09Å; Y339-L558 HydrophobicContact CD2-CD1 3.69Å; Y339-L558 HydrophobicContact CE2-CD1 4.04Å; Y339-L558 HydrophobicContact CG-CD1 3.98Å; F539-L558 HydrophobicContact CE1-CB 4.49Å; F539-L558 HydrophobicContact CZ-CB 4.01Å; V554-L558 PolarHBondContact O-N 3.3Å; L555-L558 HydrophobicContact CD2-CD1 4.16Å; L555-L558 PolarHBondContact O-N 3.35Å; L558-L561 PolarHBondContact O-N 3.47Å; L558-Y562 WeakPolarHBondContact O-CB 3.43Å; L558-Y562 PolarHBondContact O-N 2.84Å; L558-L599 HydrophobicContact CD2-CD1 3.81Å; L558-L599 HydrophobicContact CD2-CD2 3.73Å; L558-L599 HydrophobicContact CD2-CG 4.43Å; L558-L599 HydrophobicContact CG-CD2 3.95Å; L558-L606 HydrophobicContact CD1-CD1 4.12Å; L558-L606 HydrophobicContact CD1-CD2 3.91Å; L558-L606 HydrophobicContact CD2-CD1 4.24Å; L558-L606 HydrophobicContact CG-CD1 4.39Å
559A98.7Very high98.2Very high2 Ų227.5 Ų27.52%0.01716%0.156CC..Hα-helixtrans-63.6-42.7-179.900000112.2L480 F539 L543 L555 S556 Y562 A563L480-A559 HydrophobicContact CD1-CB 4.18Å; L480-A559 HydrophobicContact CD2-CB 3.57Å; F539-A559 HydrophobicContact CD1-CB 3.9Å; F539-A559 HydrophobicContact CD2-CB 3.97Å; F539-A559 HydrophobicContact CE1-CB 3.88Å; F539-A559 HydrophobicContact CE2-CB 3.91Å; F539-A559 HydrophobicContact CG-CB 3.96Å; F539-A559 HydrophobicContact CZ-CB 3.88Å; L543-A559 HydrophobicContact CD1-CB 3.92Å; L555-A559 WeakPolarHBondContact O-CB 3.35Å; L555-A559 PolarHBondContact O-N 3Å; S556-A559 PolarHBondContact O-N 3.32Å; A559-Y562 PolarHBondContact O-N 2.91Å; A559-A563 WeakPolarHBondContact O-CB 3.49Å; A559-A563 PolarHBondContact O-N 2.99Å
560L98.6Very high98.2Very high19 Ų1924 Ų2410%0.09913%0.133CC..Hα-helixtrans-60.7-46172.3-74.4172.1000111.2L480 L483 S556 Y562 A563 M564 L595L480-L560 HydrophobicContact CB-CD2 4.18Å; L480-L560 HydrophobicContact CD1-CD2 4.42Å; L483-L560 HydrophobicContact CD1-CD2 3.93Å; S556-L560 WeakPolarHBondContact O-CB 3.38Å; S556-L560 WeakPolarHBondContact O-CG 3.48Å; S556-L560 PolarHBondContact O-N 2.88Å; L560-Y562 VanDerWaalsContact C-N 3.34Å; L560-Y562 PolarHBondContact O-N 2.74Å; L560-A563 PolarHBondContact O-N 3.27Å; L560-M564 HydrophobicContact CD2-CE 4.38Å; L560-M564 VanDerWaalsContact O-CB 3.24Å; L560-M564 WeakPolarHBondContact O-CB 3.43Å; L560-M564 VanDerWaalsContact O-CG 3.27Å; L560-M564 WeakPolarHBondContact O-CG 3.15Å; L560-M564 PolarHBondContact O-N 3.02Å; L560-L595 HydrophobicContact CB-CD1 4.06Å; L560-L595 HydrophobicContact CB-CD2 4.48Å
561L98.8Very high98.1Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-60.9-43.8177.6178.361.4000111.6F332 P333 T557 L558 H565 I592 L595 L596 L599F332-L561 HydrophobicContact CB-CD2 3.82Å; P333-L561 HydrophobicContact CG-CD1 4.4Å; P333-L561 HydrophobicContact CG-CD2 4.34Å; P333-L561 HydrophobicContact CG-CG 4.48Å; T557-L561 WeakPolarHBondContact O-CB 3.41Å; T557-L561 PolarHBondContact O-N 2.96Å; L558-L561 PolarHBondContact O-N 3.47Å; L561-H565 WeakPolarHBondContact O-CB 3.4Å; L561-H565 PolarHBondContact O-N 3.07Å; L561-I592 HydrophobicContact CD1-CB 4.47Å; L561-I592 HydrophobicContact CD1-CG1 4.3Å; L561-I592 HydrophobicContact CD1-CG2 3.88Å; L561-L595 HydrophobicContact CB-CD1 4.23Å; L561-L595 HydrophobicContact CD1-CB 4.43Å; L561-L596 HydrophobicContact CD1-CD2 4.34Å; L561-L596 HydrophobicContact CD2-CD2 4.14Å; L561-L599 HydrophobicContact CB-CD1 4.41Å; L561-L599 HydrophobicContact CD2-CD1 3.46Å; L561-L599 VanDerWaalsContact CD2-CD1 3.46Å
562Y98.8Very high97.9Very high11 Ų1126.2 Ų26.24%0.04315%0.153CC..Hα-helixtrans-59.4-52.5177.5-179.9-102.9000111.5M337 A340 V535 V536 L558 A559 L560 H565 G566M337-Y562 HydrophobicContact CB-CD2 3.96Å; M337-Y562 HydrophobicContact CB-CE2 3.88Å; M337-Y562 HydrophobicContact CG-CD2 4.47Å; M337-Y562 HydrophobicContact CG-CE2 3.88Å; M337-Y562 HydrophobicContact SD-CE2 4.38Å; A340-Y562 HydrophobicContact CB-CD1 4.36Å; A340-Y562 HydrophobicContact CB-CD2 4.36Å; A340-Y562 HydrophobicContact CB-CE1 4.36Å; A340-Y562 HydrophobicContact CB-CE2 4.36Å; A340-Y562 HydrophobicContact CB-CG 4.38Å; V535-Y562 HydrophobicContact CB-CE1 4.22Å; V535-Y562 HydrophobicContact CG1-CE1 3.54Å; V535-Y562 VanDerWaalsContact CG1-OH 3.31Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.37Å; V536-Y562 HydrophobicContact CG2-CD1 3.98Å; V536-Y562 HydrophobicContact CG2-CE1 3.72Å; L558-Y562 WeakPolarHBondContact O-CB 3.43Å; L558-Y562 PolarHBondContact O-N 2.84Å; A559-Y562 PolarHBondContact O-N 2.91Å; L560-Y562 VanDerWaalsContact C-N 3.34Å; L560-Y562 PolarHBondContact O-N 2.74Å; Y562-H565 PolarHBondContact O-N 3.3Å; Y562-G566 PolarHBondContact O-N 2.75Å
563A98.6Very high97.7Very high0 Ų023.6 Ų23.60%014%0.142CC..Hα-helixtrans-64.3-43-179.900000112.4L480 L483 Y487 V536 A559 L560 G566 I567L480-A563 HydrophobicContact CD1-CB 4.27Å; L483-A563 HydrophobicContact CB-CB 4.32Å; L483-A563 HydrophobicContact CD1-CB 3.79Å; Y487-A563 HydrophobicContact CE2-CB 4.03Å; Y487-A563 PolarHBondContact OH-O 3.35Å; V536-A563 HydrophobicContact CG1-CB 4.18Å; V536-A563 HydrophobicContact CG2-CB 4.49Å; A559-A563 WeakPolarHBondContact O-CB 3.49Å; A559-A563 PolarHBondContact O-N 2.99Å; L560-A563 PolarHBondContact O-N 3.27Å; A563-G566 PolarHBondContact O-N 2.84Å; A563-I567 WeakPolarHBondContact O-CG1 3.4Å; A563-I567 PolarHBondContact O-N 3.34Å
564M98.1Very high97.4Very high0 Ų020.2 Ų20.20%012%0.118CC..Hα-helixtrans-67-43.8178.2-76.1-176.3-173.800112.4I477 L483 L560 G566 I567 T568 I588 R591 I592 L595I477-M564 WeakPolarHBondContact O-CE 3.39Å; L483-M564 HydrophobicContact CD1-CE 4.49Å; L483-M564 HydrophobicContact CD1-CG 4.3Å; L560-M564 HydrophobicContact CD2-CE 4.38Å; L560-M564 VanDerWaalsContact O-CB 3.24Å; L560-M564 WeakPolarHBondContact O-CB 3.43Å; L560-M564 VanDerWaalsContact O-CG 3.27Å; L560-M564 WeakPolarHBondContact O-CG 3.15Å; L560-M564 PolarHBondContact O-N 3.02Å; M564-G566 VanDerWaalsContact C-N 3.32Å; M564-G566 PolarHBondContact O-N 3.49Å; M564-I567 PolarHBondContact O-N 3.26Å; M564-T568 PolarHBondContact O-N 3.37Å; M564-I588 HydrophobicContact CB-CG2 3.73Å; M564-I588 HydrophobicContact CG-CG2 3.94Å; M564-I588 HydrophobicContact SD-CG2 4.44Å; M564-R591 HydrophobicContact CE-CB 4.39Å; M564-R591 HydrophobicContact CE-CG 3.6Å; M564-R591 HydrophobicContact SD-CB 3.97Å; M564-R591 HydrophobicContact SD-CG 3.56Å; M564-R591 VanDerWaalsContact SD-CG 3.56Å; M564-I592 HydrophobicContact CB-CD1 4.09Å; M564-I592 HydrophobicContact CB-CG1 3.81Å; M564-L595 HydrophobicContact SD-CD1 3.68Å
565H98.3Very high97.1Very high35 Ų3523.1 Ų23.116%0.16213%0.133CC..Hα-helixtrans-61.1-43.7176.6177.2-106.6000110.8P333 L561 Y562 I567 T568 K569P333-H565 HydrophobicContact CB-CB 4.3Å; L561-H565 WeakPolarHBondContact O-CB 3.4Å; L561-H565 PolarHBondContact O-N 3.07Å; Y562-H565 PolarHBondContact O-N 3.3Å; H565-I567 VanDerWaalsContact C-N 3.32Å; H565-I567 PolarHBondContact O-N 2.92Å; H565-T568 PolarHBondContact O-N 3.06Å; H565-T568 VanDerWaalsContact O-N 3.14Å; H565-T568 PolarHBondContact O-OG1 3.44Å; H565-K569 WeakPolarHBondContact NE2-CE 3.41Å; H565-K569 WeakPolarHBondContact O-CG 3.42Å; H565-K569 PolarHBondContact O-N 2.97Å
566G98Very high96.5Very high4 Ų429 Ų294%0.04116%0.16CC..Hα-helixtrans-61.9-35.5175.400000113.7Y487 Y562 A563 M564 N570Y487-G566 VanDerWaalsContact OH-C 3.3Å; Y487-G566 VanDerWaalsContact OH-CA 3.23Å; Y487-G566 WeakPolarHBondContact OH-CA 3.32Å; Y562-G566 PolarHBondContact O-N 2.75Å; A563-G566 PolarHBondContact O-N 2.84Å; M564-G566 VanDerWaalsContact C-N 3.32Å; M564-G566 PolarHBondContact O-N 3.49Å; G566-N570 PolarHBondContact O-N 3.18Å; G566-N570 PolarHBondContact O-ND2 2.99Å
567I97.3Very high95.9Very high1 Ų129 Ų291%0.00516%0.162CC..Hα-helixtrans-62.9-47.1170.8-69.6165.5000111.3L483 Y487 A563 M564 H565 K569 N570 S571 F574 I588L483-I567 HydrophobicContact CD2-CD1 3.86Å; Y487-I567 HydrophobicContact CE2-CD1 4.01Å; Y487-I567 HydrophobicContact CE2-CG1 3.73Å; Y487-I567 PolarHBondContact OH-N 2.85Å; A563-I567 WeakPolarHBondContact O-CG1 3.4Å; A563-I567 PolarHBondContact O-N 3.34Å; M564-I567 PolarHBondContact O-N 3.26Å; H565-I567 VanDerWaalsContact C-N 3.32Å; H565-I567 PolarHBondContact O-N 2.92Å; I567-K569 VanDerWaalsContact C-N 3.34Å; I567-K569 PolarHBondContact O-N 3.5Å; I567-N570 CarbonylContact O-C 3.53Å; I567-N570 PolarHBondContact O-N 2.96Å; I567-S571 WeakPolarHBondContact O-CA 3.26Å; I567-S571 PolarHBondContact O-N 2.84Å; I567-F574 HydrophobicContact CB-CD2 4.37Å; I567-F574 HydrophobicContact CB-CE2 4.12Å; I567-F574 HydrophobicContact CB-CZ 4.42Å; I567-F574 HydrophobicContact CG1-CD1 4.44Å; I567-F574 HydrophobicContact CG1-CD2 4.31Å; I567-F574 HydrophobicContact CG1-CE1 3.98Å; I567-F574 HydrophobicContact CG1-CE2 3.86Å; I567-F574 HydrophobicContact CG1-CZ 3.65Å; I567-F574 HydrophobicContact CG2-CD2 4.09Å; I567-F574 HydrophobicContact CG2-CE2 4.36Å; I567-F574 HydrophobicContact CG2-CG 4.4Å; I567-I588 HydrophobicContact CD1-CD1 4.24Å; I567-I588 HydrophobicContact CG2-CD1 3.85Å
568T96.8Very high95.1Very high27 Ų2730.1 Ų30.117%0.16618%0.176CC..Hα-helixtrans-63.3-39.5-179.560.50000112.6M564 H565 N570 S571 I588 I592M564-T568 PolarHBondContact O-N 3.37Å; H565-T568 PolarHBondContact O-N 3.06Å; H565-T568 VanDerWaalsContact O-N 3.14Å; H565-T568 PolarHBondContact O-OG1 3.44Å; T568-N570 VanDerWaalsContact C-N 3.32Å; T568-N570 PolarHBondContact O-N 3.05Å; T568-S571 PolarHBondContact O-OG 3.31Å; T568-I588 HydrophobicContact CG2-CG2 3.76Å; T568-I592 HydrophobicContact CG2-CD1 3.62Å
569K97Very high94.6Very high136 Ų13631.2 Ų31.259%0.59118%0.182SC*.Hα-helixtrans-66-32.5177.9-71.5-68.8-176.7175.80113.3H565 I567H565-K569 WeakPolarHBondContact NE2-CE 3.41Å; H565-K569 WeakPolarHBondContact O-CG 3.42Å; H565-K569 PolarHBondContact O-N 2.97Å; I567-K569 VanDerWaalsContact C-N 3.34Å; I567-K569 PolarHBondContact O-N 3.5Å
570N97.2Very high94.1Very high45 Ų4531.4 Ų31.424%0.24118%0.183CC..THydrogen-bonded Turntrans-116.427.9-176-57.7-77.7000112.1G566 I567 T568 G572 D573 F574G566-N570 PolarHBondContact O-N 3.18Å; G566-N570 PolarHBondContact O-ND2 2.99Å; I567-N570 CarbonylContact O-C 3.53Å; I567-N570 PolarHBondContact O-N 2.96Å; T568-N570 VanDerWaalsContact C-N 3.32Å; T568-N570 PolarHBondContact O-N 3.05Å; N570-G572 PolarHBondContact O-N 3.45Å; N570-G572 VanDerWaalsContact O-N 3.08Å; N570-D573 WeakPolarHBondContact O-CB 3.49Å; N570-D573 PolarHBondContact O-N 2.88Å; N570-F574 HydrophobicContact CB-CD2 4.47Å; N570-F574 HydrophobicContact CB-CE2 4Å; N570-F574 VanDerWaalsContact O-CD2 3.26Å; N570-F574 WeakPolarHBondContact O-CD2 3.46Å
571S96Very high93.6Very high38 Ų3831.9 Ų31.927%0.26619%0.188SC..Hα-helixtrans-56.3-32.5-169.855.50000113.5I567 T568 D573 F574 L575I567-S571 WeakPolarHBondContact O-CA 3.26Å; I567-S571 PolarHBondContact O-N 2.84Å; T568-S571 PolarHBondContact O-OG 3.31Å; S571-D573 VanDerWaalsContact C-N 3.3Å; S571-D573 PolarHBondContact O-N 2.74Å; S571-F574 PolarHBondContact O-N 3.42Å; S571-L575 WeakPolarHBondContact O-CB 3.47Å; S571-L575 VanDerWaalsContact O-CG 3.24Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 2.79Å
572G95Very high93.2Very high44 Ų4436.3 Ų36.345%0.45422%0.215SC..Hα-helixtrans-55.2-41.3174.700000113.5N570 Q576N570-G572 PolarHBondContact O-N 3.45Å; N570-G572 VanDerWaalsContact O-N 3.08Å; G572-Q576 WeakPolarHBondContact O-CB 3.34Å; G572-Q576 PolarHBondContact O-N 2.91Å
573D94.1Very high92.9Very high17 Ų1739.6 Ų39.69%0.09124%0.238CC..Hα-helixtrans-67.1-45179.5-64.7-19.3000111.3R490 L494 R525 N570 S571 A577R490-D573 HydrophobicContact CG-CB 4.14Å; R490-D573 IonicContact CZ-OD2 3.35Å; R490-D573 VanDerWaalsContact CZ-OD2 3.24Å; R490-D573 IonicContact NE-OD2 3.65Å; R490-D573 PolarHBondContact NE-OD2 2.99Å; R490-D573 IonicContact NH2-OD2 2.75Å; R490-D573 PolarHBondContact NH2-OD2 3.31Å; L494-D573 HydrophobicContact CD1-CB 4.3Å; R525-D573 IonicContact CZ-OD1 2.79Å; R525-D573 IonicContact NH2-OD1 2.74Å; R525-D573 PolarHBondContact NH2-OD1 2.93Å; N570-D573 WeakPolarHBondContact O-CB 3.49Å; N570-D573 PolarHBondContact O-N 2.88Å; S571-D573 VanDerWaalsContact C-N 3.3Å; S571-D573 PolarHBondContact O-N 2.74Å; D573-A577 WeakPolarHBondContact O-CB 3.44Å; D573-A577 PolarHBondContact O-N 2.96Å
574F92.1Very high92.5Very high0 Ų040.3 Ų40.30%024%0.241CC..Hα-helixtrans-69.7-37.2-178.4-61.7-84.8000112.1V486 Y487 R490 I567 N570 S571 G578 L579 V580V486-F574 HydrophobicContact CG1-CD1 3.52Å; V486-F574 HydrophobicContact CG1-CE1 3.66Å; Y487-F574 HydrophobicContact CD1-CZ 4.23Å; Y487-F574 HydrophobicContact CD2-CE1 4.46Å; Y487-F574 HydrophobicContact CD2-CZ 4.46Å; Y487-F574 AromaticContact CE1-CZ 3.97Å; Y487-F574 HydrophobicContact CE1-CZ 3.97Å; Y487-F574 HydrophobicContact CE2-CZ 4.23Å; Y487-F574 HydrophobicContact CG-CZ 4.48Å; R490-F574 HydrophobicContact CB-CD1 4.13Å; R490-F574 HydrophobicContact CB-CE1 3.82Å; R490-F574 HydrophobicContact CB-CZ 4.41Å; R490-F574 HydrophobicContact CG-CE1 4.25Å; R490-F574 HydrophobicContact CG-CZ 4.4Å; I567-F574 HydrophobicContact CB-CD2 4.37Å; I567-F574 HydrophobicContact CB-CE2 4.12Å; I567-F574 HydrophobicContact CB-CZ 4.42Å; I567-F574 HydrophobicContact CG1-CD1 4.44Å; I567-F574 HydrophobicContact CG1-CD2 4.31Å; I567-F574 HydrophobicContact CG1-CE1 3.98Å; I567-F574 HydrophobicContact CG1-CE2 3.86Å; I567-F574 HydrophobicContact CG1-CZ 3.65Å; I567-F574 HydrophobicContact CG2-CD2 4.09Å; I567-F574 HydrophobicContact CG2-CE2 4.36Å; I567-F574 HydrophobicContact CG2-CG 4.4Å; N570-F574 HydrophobicContact CB-CD2 4.47Å; N570-F574 HydrophobicContact CB-CE2 4Å; N570-F574 VanDerWaalsContact O-CD2 3.26Å; N570-F574 WeakPolarHBondContact O-CD2 3.46Å; S571-F574 PolarHBondContact O-N 3.42Å; F574-G578 PolarHBondContact O-N 3.05Å; F574-L579 HydrophobicContact CD1-CD1 4.36Å; F574-L579 PolarHBondContact O-N 3.18Å; F574-V580 HydrophobicContact CB-CB 4.46Å; F574-V580 HydrophobicContact CB-CG1 4.31Å; F574-V580 HydrophobicContact CB-CG2 3.45Å; F574-V580 VanDerWaalsContact CB-CG2 3.45Å; F574-V580 PolarHBondContact O-N 2.99Å
575L90.8Very high92.3Very high65 Ų6541.3 Ų41.334%0.3425%0.247SC..Hα-helixtrans-68.4-46.3174.9-71.5166.9000111.2S571 A577 G578 V580 V582 V585S571-L575 WeakPolarHBondContact O-CB 3.47Å; S571-L575 VanDerWaalsContact O-CG 3.24Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 2.79Å; L575-A577 VanDerWaalsContact C-N 3.28Å; L575-A577 PolarHBondContact O-N 2.96Å; L575-G578 PolarHBondContact O-N 3.13Å; L575-V580 HydrophobicContact CD2-CG2 4.31Å; L575-V580 WeakPolarHBondContact CD2-O 3.49Å; L575-V580 HydrophobicContact CG-CG2 4.4Å; L575-V582 HydrophobicContact CD2-CG2 3.89Å; L575-V585 HydrophobicContact CD2-CG2 4.27Å; L575-V585 HydrophobicContact CG-CG2 4.49Å
576Q87.6Confident92.1Very high124 Ų12444.9 Ų44.958%0.57927%0.267SS*.Hα-helixtrans-60.9-38178.6-178.81782.500111.8G572 G578G572-Q576 WeakPolarHBondContact O-CB 3.34Å; G572-Q576 PolarHBondContact O-N 2.91Å; Q576-G578 PolarHBondContact O-N 2.9Å
577A84.6Confident91.9Very high24 Ų2449.8 Ų49.820%0.19829%0.289CS..THydrogen-bonded Turntrans-78.5-4.3176.200000113.7T493 D573 L575 L579T493-A577 HydrophobicContact CG2-CB 3.97Å; D573-A577 WeakPolarHBondContact O-CB 3.44Å; D573-A577 PolarHBondContact O-N 2.96Å; L575-A577 VanDerWaalsContact C-N 3.28Å; L575-A577 PolarHBondContact O-N 2.96Å; A577-L579 HydrophobicContact CB-CD1 3.67Å; A577-L579 HydrophobicContact CB-CG 3.65Å; A577-L579 PolarHBondContact O-N 2.96Å
578G83.3Confident91.9Very high40 Ų4049.8 Ų49.841%0.41229%0.288SS..THydrogen-bonded Turntrans62.628.7-176.900000113.5F574 L575 Q576F574-G578 PolarHBondContact O-N 3.05Å; L575-G578 PolarHBondContact O-N 3.13Å; Q576-G578 PolarHBondContact O-N 2.9Å
579L86.6Confident91.8Very high24 Ų2450.7 Ų50.713%0.12630%0.296CS..SBendtrans-87.8-30.7-177.8-60.8173.1000112.2V475 V486 Q489 R490 F574 A577V475-L579 WeakPolarHBondContact CG2-O 3.45Å; V486-L579 HydrophobicContact CG1-CB 4.16Å; Q489-L579 HydrophobicContact CB-CD1 3.74Å; Q489-L579 HydrophobicContact CB-CD2 3.44Å; Q489-L579 VanDerWaalsContact CB-CD2 3.44Å; Q489-L579 HydrophobicContact CB-CG 4.24Å; Q489-L579 HydrophobicContact CG-CD2 3.99Å; R490-L579 HydrophobicContact CB-CD1 4.07Å; F574-L579 HydrophobicContact CD1-CD1 4.36Å; F574-L579 PolarHBondContact O-N 3.18Å; A577-L579 HydrophobicContact CB-CD1 3.67Å; A577-L579 HydrophobicContact CB-CG 3.65Å; A577-L579 PolarHBondContact O-N 2.96Å
580V88.4Confident91.8Very high6 Ų648 Ų484%0.03629%0.291CS..SBendtrans-131.7150.3172.5-56.70000108.9V486 F574 L575 V585V486-V580 HydrophobicContact CG1-CG1 4.26Å; F574-V580 HydrophobicContact CB-CB 4.46Å; F574-V580 HydrophobicContact CB-CG1 4.31Å; F574-V580 HydrophobicContact CB-CG2 3.45Å; F574-V580 VanDerWaalsContact CB-CG2 3.45Å; F574-V580 PolarHBondContact O-N 2.99Å; L575-V580 HydrophobicContact CD2-CG2 4.31Å; L575-V580 WeakPolarHBondContact CD2-O 3.49Å; L575-V580 HydrophobicContact CG-CG2 4.4Å; V580-V585 HydrophobicContact CB-CG2 4.46Å; V580-V585 HydrophobicContact CG2-CG2 3.68Å
581S88.8Confident91.8Very high28 Ų2848.3 Ų48.320%0.19629%0.289CS..  trans-96.2161.4173.664.30000111.5Q584 V585S581-Q584 WeakPolarHBondContact O-CB 3.24Å; S581-Q584 PolarHBondContact O-N 3.03Å; S581-Q584 WeakPolarHBondContact OG-CG 3.39Å; S581-Q584 PolarHBondContact OG-N 3.49Å; S581-Q584 PolarHBondContact OG-OE1 3.38Å; S581-V585 PolarHBondContact O-N 3.18Å
582V91.1Very high91.9Very high93 Ų9346.7 Ų46.756%0.56428%0.277SS*.Hα-helixtrans-55-45.2175.4176.30000112.2L575 Q584 V585 L586L575-V582 HydrophobicContact CD2-CG2 3.89Å; V582-Q584 VanDerWaalsContact C-N 3.31Å; V582-Q584 PolarHBondContact O-N 2.8Å; V582-V585 PolarHBondContact O-N 2.88Å; V582-L586 PolarHBondContact O-N 2.83Å; V582-L586 VanDerWaalsContact O-N 3.09Å
583P91.7Very high92.1Very high80 Ų8049.7 Ų49.752%0.51928%0.277SS..Hα-helixtrans-58.2-39.3173.9-26.636.2000113.7L586 Q587P583-L586 PolarHBondContact O-N 3Å; P583-Q587 WeakPolarHBondContact O-CG 3.32Å; P583-Q587 PolarHBondContact O-N 3.14Å
584Q90.7Very high92.3Very high16 Ų1653 Ų538%0.07529%0.293CS..Hα-helixtrans-66.8-37.7176.8-74.1168.8-59.400112S581 V582 L586 Q587 I588S581-Q584 WeakPolarHBondContact O-CB 3.24Å; S581-Q584 PolarHBondContact O-N 3.03Å; S581-Q584 WeakPolarHBondContact OG-CG 3.39Å; S581-Q584 PolarHBondContact OG-N 3.49Å; S581-Q584 PolarHBondContact OG-OE1 3.38Å; V582-Q584 VanDerWaalsContact C-N 3.31Å; V582-Q584 PolarHBondContact O-N 2.8Å; Q584-L586 VanDerWaalsContact C-N 3.3Å; Q584-L586 PolarHBondContact O-N 3.41Å; Q584-Q587 WeakPolarHBondContact O-CB 3.34Å; Q584-Q587 PolarHBondContact O-N 3.39Å; Q584-I588 WeakPolarHBondContact O-CB 3.36Å; Q584-I588 VanDerWaalsContact O-CG1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.46Å; Q584-I588 PolarHBondContact O-N 3.35Å
585V93.3Very high92.6Very high21 Ų2153 Ų5313%0.12729%0.293CS..Hα-helixtrans-62.6-38.9174.4175.80000111.2L575 V580 S581 V582 I588 S589L575-V585 HydrophobicContact CD2-CG2 4.27Å; L575-V585 HydrophobicContact CG-CG2 4.49Å; V580-V585 HydrophobicContact CB-CG2 4.46Å; V580-V585 HydrophobicContact CG2-CG2 3.68Å; S581-V585 PolarHBondContact O-N 3.18Å; V582-V585 PolarHBondContact O-N 2.88Å; V585-I588 PolarHBondContact O-N 3.42Å; V585-S589 PolarHBondContact O-N 3.38Å; V585-S589 PolarHBondContact O-OG 2.87Å
586L93.8Very high93Very high110 Ų11050 Ų5058%0.57628%0.277SS*.Hα-helixtrans-66.2-42.2174.1-66174.6000111.7V582 P583 Q584 S589 V590V582-L586 PolarHBondContact O-N 2.83Å; V582-L586 VanDerWaalsContact O-N 3.09Å; P583-L586 PolarHBondContact O-N 3Å; Q584-L586 VanDerWaalsContact C-N 3.3Å; Q584-L586 PolarHBondContact O-N 3.41Å; L586-S589 WeakPolarHBondContact O-CB 3.32Å; L586-S589 PolarHBondContact O-N 2.75Å; L586-V590 PolarHBondContact O-N 3.38Å
587Q94.9Very high93.5Very high107 Ų10747.5 Ų47.550%0.527%0.273SS..Hα-helixtrans-61.2-43.9174.2-72.6171.5-7.900111.9I477 P583 Q584 S589 V590 R591I477-Q587 HydrophobicContact CD1-CB 3.77Å; P583-Q587 WeakPolarHBondContact O-CG 3.32Å; P583-Q587 PolarHBondContact O-N 3.14Å; Q584-Q587 WeakPolarHBondContact O-CB 3.34Å; Q584-Q587 PolarHBondContact O-N 3.39Å; Q587-S589 VanDerWaalsContact C-N 3.27Å; Q587-S589 PolarHBondContact O-N 3.12Å; Q587-V590 PolarHBondContact O-N 3.17Å; Q587-R591 WeakPolarHBondContact O-CB 3.36Å; Q587-R591 PolarHBondContact O-N 3.44Å
588I95.9Very high94.1Very high0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-58.3-42.2174.2-72.2168.5000110.4I477 M564 I567 T568 Q584 V585 V590 R591 I592I477-I588 HydrophobicContact CB-CG1 4.24Å; I477-I588 HydrophobicContact CD1-CG1 4.29Å; I477-I588 HydrophobicContact CG2-CD1 4.14Å; I477-I588 HydrophobicContact CG2-CG1 4.02Å; M564-I588 HydrophobicContact CB-CG2 3.73Å; M564-I588 HydrophobicContact CG-CG2 3.94Å; M564-I588 HydrophobicContact SD-CG2 4.44Å; I567-I588 HydrophobicContact CD1-CD1 4.24Å; I567-I588 HydrophobicContact CG2-CD1 3.85Å; T568-I588 HydrophobicContact CG2-CG2 3.76Å; Q584-I588 WeakPolarHBondContact O-CB 3.36Å; Q584-I588 VanDerWaalsContact O-CG1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.46Å; Q584-I588 PolarHBondContact O-N 3.35Å; V585-I588 PolarHBondContact O-N 3.42Å; I588-V590 VanDerWaalsContact C-N 3.32Å; I588-V590 PolarHBondContact O-N 3.12Å; I588-R591 PolarHBondContact O-N 3.43Å; I588-I592 HydrophobicContact CG2-CD1 4.09Å; I588-I592 HydrophobicContact CG2-CG1 4.46Å; I588-I592 WeakPolarHBondContact O-CG1 3.25Å; I588-I592 PolarHBondContact O-N 3.12Å
589S95.4Very high94.9Very high46 Ų4648.3 Ų48.332%0.32226%0.262SS..Hα-helixtrans-63.7-36.3178.4-57.90000112.8V585 L586 Q587V585-S589 PolarHBondContact O-N 3.38Å; V585-S589 PolarHBondContact O-OG 2.87Å; L586-S589 WeakPolarHBondContact O-CB 3.32Å; L586-S589 PolarHBondContact O-N 2.75Å; Q587-S589 VanDerWaalsContact C-N 3.27Å; Q587-S589 PolarHBondContact O-N 3.12Å
590V96.8Very high95.4Very high81 Ų8148.5 Ų48.549%0.49126%0.261SS..Hα-helixtrans-68.8-47.2172.2174.60000110.3L586 Q587 I588 I592 K593 E594L586-V590 PolarHBondContact O-N 3.38Å; Q587-V590 PolarHBondContact O-N 3.17Å; I588-V590 VanDerWaalsContact C-N 3.32Å; I588-V590 PolarHBondContact O-N 3.12Å; V590-I592 VanDerWaalsContact C-N 3.31Å; V590-I592 PolarHBondContact O-N 2.88Å; V590-K593 WeakPolarHBondContact O-CB 3.19Å; V590-K593 PolarHBondContact O-N 3.42Å; V590-E594 PolarHBondContact O-N 2.82Å
591R97.6Very high95.9Very high51 Ų5150.6 Ų50.619%0.19228%0.275CS..Hα-helixtrans-61.2-37.1-178.7-173.554.5176155.86.1112.7N478 M564 Q587 I588 K593 E594 L595 Q598N478-R591 PolarHBondContact OD1-NE 3.36Å; M564-R591 HydrophobicContact CE-CB 4.39Å; M564-R591 HydrophobicContact CE-CG 3.6Å; M564-R591 HydrophobicContact SD-CB 3.97Å; M564-R591 HydrophobicContact SD-CG 3.56Å; M564-R591 VanDerWaalsContact SD-CG 3.56Å; Q587-R591 WeakPolarHBondContact O-CB 3.36Å; Q587-R591 PolarHBondContact O-N 3.44Å; I588-R591 PolarHBondContact O-N 3.43Å; R591-K593 VanDerWaalsContact C-N 3.3Å; R591-K593 PolarHBondContact O-N 2.99Å; R591-E594 WeakPolarHBondContact CD-OE2 3.43Å; R591-E594 IonicContact CZ-OE2 2.78Å; R591-E594 IonicContact NE-OE2 2.94Å; R591-E594 IonicContact NH1-OE2 3.5Å; R591-E594 PolarHBondContact NH1-OE2 3.12Å; R591-E594 WeakPolarHBondContact O-CB 3.46Å; R591-E594 PolarHBondContact O-N 3.37Å; R591-E594 VanDerWaalsContact O-N 3.15Å; R591-L595 HydrophobicContact CG-CD1 4.34Å; R591-L595 HydrophobicContact CG-CG 4.47Å; R591-L595 WeakPolarHBondContact O-CG 3.3Å; R591-L595 PolarHBondContact O-N 2.92Å; R591-Q598 VanDerWaalsContact NH1-NE2 3.1Å
592I98.3Very high96.4Very high4 Ų449.9 Ų49.92%0.02127%0.269CS..Hα-helixtrans-55.3-46.6172.6-74.4168.1000110.6Y329 L561 M564 T568 I588 V590 E594 L595 L596Y329-I592 HydrophobicContact CD2-CG2 4.06Å; Y329-I592 HydrophobicContact CE2-CG2 3.95Å; L561-I592 HydrophobicContact CD1-CB 4.47Å; L561-I592 HydrophobicContact CD1-CG1 4.3Å; L561-I592 HydrophobicContact CD1-CG2 3.88Å; M564-I592 HydrophobicContact CB-CD1 4.09Å; M564-I592 HydrophobicContact CB-CG1 3.81Å; T568-I592 HydrophobicContact CG2-CD1 3.62Å; I588-I592 HydrophobicContact CG2-CD1 4.09Å; I588-I592 HydrophobicContact CG2-CG1 4.46Å; I588-I592 WeakPolarHBondContact O-CG1 3.25Å; I588-I592 PolarHBondContact O-N 3.12Å; V590-I592 VanDerWaalsContact C-N 3.31Å; V590-I592 PolarHBondContact O-N 2.88Å; I592-E594 VanDerWaalsContact C-N 3.27Å; I592-E594 PolarHBondContact O-N 3Å; I592-L595 PolarHBondContact O-N 3.24Å; I592-L595 VanDerWaalsContact O-N 3.14Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.33Å; I592-L596 PolarHBondContact O-N 2.92Å
593K98.3Very high96.8Very high106 Ų10645.4 Ų45.446%0.46124%0.242SC..Hα-helixtrans-61.6-36.3179.7-63.1175.5-178.5-177.90112.2V590 R591 L596 S597V590-K593 WeakPolarHBondContact O-CB 3.19Å; V590-K593 PolarHBondContact O-N 3.42Å; R591-K593 VanDerWaalsContact C-N 3.3Å; R591-K593 PolarHBondContact O-N 2.99Å; K593-L596 PolarHBondContact O-N 3.44Å; K593-S597 PolarHBondContact O-N 2.92Å; K593-S597 PolarHBondContact O-OG 3.44Å
594E98.3Very high97.1Very high88 Ų8841.6 Ų41.641%0.41122%0.217SC..Hα-helixtrans-67.8-42.1174.6-61.1170.3-178.200111.9V590 R591 I592 L596 S597 Q598V590-E594 PolarHBondContact O-N 2.82Å; R591-E594 WeakPolarHBondContact CD-OE2 3.43Å; R591-E594 IonicContact CZ-OE2 2.78Å; R591-E594 IonicContact NE-OE2 2.94Å; R591-E594 IonicContact NH1-OE2 3.5Å; R591-E594 PolarHBondContact NH1-OE2 3.12Å; R591-E594 WeakPolarHBondContact O-CB 3.46Å; R591-E594 PolarHBondContact O-N 3.37Å; R591-E594 VanDerWaalsContact O-N 3.15Å; I592-E594 VanDerWaalsContact C-N 3.27Å; I592-E594 PolarHBondContact O-N 3Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 2.87Å; E594-S597 PolarHBondContact O-N 3.24Å; E594-Q598 WeakPolarHBondContact O-CG 3.21Å; E594-Q598 PolarHBondContact O-N 2.84Å; E594-Q598 PolarHBondContact O-NE2 3.05Å
595L98.6Very high97.5Very high0 Ų040.9 Ų40.90%021%0.214CC..Hα-helixtrans-64-36.9176.2-66.4170.7000111.3T557 L560 L561 M564 R591 I592 Q598 L599T557-L595 HydrophobicContact CG2-CB 4.47Å; T557-L595 HydrophobicContact CG2-CD2 3.68Å; L560-L595 HydrophobicContact CB-CD1 4.06Å; L560-L595 HydrophobicContact CB-CD2 4.48Å; L561-L595 HydrophobicContact CB-CD1 4.23Å; L561-L595 HydrophobicContact CD1-CB 4.43Å; M564-L595 HydrophobicContact SD-CD1 3.68Å; R591-L595 HydrophobicContact CG-CD1 4.34Å; R591-L595 HydrophobicContact CG-CG 4.47Å; R591-L595 WeakPolarHBondContact O-CG 3.3Å; R591-L595 PolarHBondContact O-N 2.92Å; I592-L595 PolarHBondContact O-N 3.24Å; I592-L595 VanDerWaalsContact O-N 3.14Å; L595-Q598 PolarHBondContact O-N 3.14Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 WeakPolarHBondContact O-CG 3.47Å; L595-L599 PolarHBondContact O-N 2.94Å
596L98.8Very high97.8Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-58.8-49173.4-65.1-179.2000111.2Q325 Q328 Y329 F332 L561 I592 K593 E594 Q598 L599 R600Q325-L596 HydrophobicContact CG-CD1 4.22Å; Q328-L596 HydrophobicContact CB-CB 4.21Å; Q328-L596 HydrophobicContact CB-CD1 4.17Å; Q328-L596 HydrophobicContact CB-CD2 4.36Å; Q328-L596 HydrophobicContact CB-CG 4.48Å; Y329-L596 HydrophobicContact CD2-CD1 4.11Å; Y329-L596 HydrophobicContact CG-CD1 4.5Å; F332-L596 HydrophobicContact CB-CD2 3.74Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.8Å; F332-L596 WeakPolarHBondContact CE2-O 3.41Å; F332-L596 HydrophobicContact CG-CD2 4.22Å; L561-L596 HydrophobicContact CD1-CD2 4.34Å; L561-L596 HydrophobicContact CD2-CD2 4.14Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.33Å; I592-L596 PolarHBondContact O-N 2.92Å; K593-L596 PolarHBondContact O-N 3.44Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 2.87Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 PolarHBondContact O-N 3.21Å; L596-L599 PolarHBondContact O-N 3.28Å; L596-R600 PolarHBondContact O-N 2.79Å
597S98.3Very high98Very high72 Ų7234.7 Ų34.750%0.50318%0.18SC..Hα-helixtrans-62.8-36.7177.1-58.80000112.6K593 E594 P601K593-S597 PolarHBondContact O-N 2.92Å; K593-S597 PolarHBondContact O-OG 3.44Å; E594-S597 PolarHBondContact O-N 3.24Å; S597-P601 WeakPolarHBondContact O-CD 3.45Å
598Q98.3Very high98.2Very high81 Ų8130.1 Ų30.138%0.37916%0.159SC..Hα-helixtrans-68.3-34.2176.1-73.8167.24800112.8T557 R591 E594 L595 L596T557-Q598 HydrophobicContact CG2-CB 4.23Å; R591-Q598 VanDerWaalsContact NH1-NE2 3.1Å; E594-Q598 WeakPolarHBondContact O-CG 3.21Å; E594-Q598 PolarHBondContact O-N 2.84Å; E594-Q598 PolarHBondContact O-NE2 3.05Å; L595-Q598 PolarHBondContact O-N 3.14Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 PolarHBondContact O-N 3.21Å
599L98.6Very high98.4Very high1 Ų130.1 Ų30.11%0.00516%0.16CC..Hα-helixtrans-81.7-26.2179.1-72168.2000112.9F332 V554 T557 L558 L561 L595 L596 P601 N602 A603 L606F332-L599 HydrophobicContact CB-CD1 4.37Å; F332-L599 HydrophobicContact CD2-CB 4.02Å; F332-L599 HydrophobicContact CE2-CB 4.34Å; V554-L599 HydrophobicContact CG2-CD2 4.22Å; T557-L599 HydrophobicContact CG2-CD1 4.16Å; T557-L599 HydrophobicContact CG2-CD2 3.69Å; T557-L599 HydrophobicContact CG2-CG 3.63Å; L558-L599 HydrophobicContact CD2-CD1 3.81Å; L558-L599 HydrophobicContact CD2-CD2 3.73Å; L558-L599 HydrophobicContact CD2-CG 4.43Å; L558-L599 HydrophobicContact CG-CD2 3.95Å; L561-L599 HydrophobicContact CB-CD1 4.41Å; L561-L599 HydrophobicContact CD2-CD1 3.46Å; L561-L599 VanDerWaalsContact CD2-CD1 3.46Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 WeakPolarHBondContact O-CG 3.47Å; L595-L599 PolarHBondContact O-N 2.94Å; L596-L599 PolarHBondContact O-N 3.28Å; L599-P601 VanDerWaalsContact C-CD 3.5Å; L599-N602 CarbonylContact O-C 3.48Å; L599-N602 WeakPolarHBondContact O-CA 3.2Å; L599-N602 PolarHBondContact O-N 3.35Å; L599-A603 PolarHBondContact O-N 2.81Å; L599-L606 HydrophobicContact CD2-CD1 4.05Å
600R98.7Very high98.5Very high28 Ų2829.3 Ų29.311%0.10615%0.15CC..G310 helixtrans-49.8-45.3-176171.464.4-174.881-0.4114.2E8 L322 D323 F332 L596 N602 A603E8-R600 IonicContact OE1-CZ 2.69Å; E8-R600 IonicContact OE1-NH1 3.87Å; E8-R600 PolarHBondContact OE1-NH1 3.44Å; E8-R600 VanDerWaalsContact OE1-NH1 3.16Å; E8-R600 IonicContact OE1-NH2 2.77Å; E8-R600 PolarHBondContact OE1-NH2 3.41Å; E8-R600 IonicContact OE2-CZ 2.92Å; E8-R600 IonicContact OE2-NH1 2.85Å; E8-R600 PolarHBondContact OE2-NH1 2.77Å; E8-R600 IonicContact OE2-NH2 2.78Å; L322-R600 WeakPolarHBondContact O-CD 3.32Å; L322-R600 PolarHBondContact O-NE 3.09Å; D323-R600 IonicContact OD1-CZ 3.41Å; D323-R600 VanDerWaalsContact OD1-CZ 3.3Å; D323-R600 IonicContact OD1-NE 3.16Å; D323-R600 PolarHBondContact OD1-NE 2.63Å; D323-R600 VanDerWaalsContact OD1-NE 3.1Å; D323-R600 IonicContact OD1-NH2 2.77Å; D323-R600 PolarHBondContact OD1-NH2 2.93Å; F332-R600 HydrophobicContact CE2-CB 3.99Å; F332-R600 HydrophobicContact CZ-CB 4.27Å; L596-R600 PolarHBondContact O-N 2.79Å; R600-N602 PolarHBondContact O-N 2.77Å; R600-A603 PolarHBondContact O-N 2.83Å
601P98.6Very high98.6Very high50 Ų5027.1 Ų27.133%0.32514%0.136SC..G310 helixtrans-67.7-23.2177.5-20.733.6000114N11 S597 L599N11-P601 HydrophobicContact CB-CB 4.15Å; S597-P601 WeakPolarHBondContact O-CD 3.45Å; L599-P601 VanDerWaalsContact C-CD 3.5Å
602N98.8Very high98.6Very high12 Ų1225.6 Ų25.66%0.06413%0.131CC..G310 helixtrans-99.7-6.1-176.4-76.3-52.2000113.2A12 S13 F14 V554 L599 R600 V604 A605 L606A12-N602 WeakPolarHBondContact CA-OD1 3.38Å; S13-N602 PolarHBondContact N-OD1 3.06Å; S13-N602 PolarHBondContact OG-ND2 3.09Å; S13-N602 PolarHBondContact OG-OD1 2.88Å; F14-N602 WeakPolarHBondContact CD1-OD1 3.38Å; F14-N602 HydrophobicContact CE1-CB 4.07Å; V554-N602 HydrophobicContact CG2-CB 4.12Å; L599-N602 CarbonylContact O-C 3.48Å; L599-N602 WeakPolarHBondContact O-CA 3.2Å; L599-N602 PolarHBondContact O-N 3.35Å; R600-N602 PolarHBondContact O-N 2.77Å; N602-V604 PolarHBondContact O-N 3.35Å; N602-A605 PolarHBondContact O-N 2.81Å; N602-L606 HydrophobicContact CB-CD1 4.13Å; N602-L606 HydrophobicContact CB-CG 4.36Å; N602-L606 WeakPolarHBondContact O-CB 3.35Å; N602-L606 VanDerWaalsContact O-CG 3.29Å; N602-L606 WeakPolarHBondContact O-CG 3.42Å; N602-L606 PolarHBondContact O-N 2.94Å
603A98.8Very high98.5Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-60.2-44.1-168.100000113.2I301 L322 F332 L599 R600 V607I301-A603 HydrophobicContact CG2-CB 3.98Å; L322-A603 HydrophobicContact CD2-CB 4.41Å; F332-A603 HydrophobicContact CD1-CB 4.38Å; F332-A603 HydrophobicContact CE1-CB 3.47Å; F332-A603 VanDerWaalsContact CE1-CB 3.47Å; F332-A603 HydrophobicContact CZ-CB 3.68Å; L599-A603 PolarHBondContact O-N 2.81Å; R600-A603 PolarHBondContact O-N 2.83Å; A603-V607 PolarHBondContact O-N 2.96Å
604V98.9Very high98.3Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-69-43.7177.6175.40000111I5 E8 R9 I301 A305 N602 L606 V607 D608I5-V604 HydrophobicContact CD1-CG1 4.39Å; I5-V604 HydrophobicContact CG1-CG1 3.86Å; E8-V604 HydrophobicContact CB-CB 3.74Å; E8-V604 HydrophobicContact CB-CG1 4.3Å; E8-V604 HydrophobicContact CB-CG2 3.48Å; E8-V604 VanDerWaalsContact CB-CG2 3.48Å; E8-V604 HydrophobicContact CG-CG2 3.82Å; R9-V604 HydrophobicContact CG-CG1 3.94Å; I301-V604 HydrophobicContact CG2-CG2 4.33Å; A305-V604 HydrophobicContact CB-CG2 3.89Å; N602-V604 PolarHBondContact O-N 3.35Å; V604-L606 VanDerWaalsContact C-N 3.31Å; V604-L606 PolarHBondContact O-N 2.84Å; V604-V607 WeakPolarHBondContact O-CG2 3.35Å; V604-V607 PolarHBondContact O-N 2.85Å; V604-D608 WeakPolarHBondContact O-CB 3.41Å; V604-D608 VanDerWaalsContact O-CG 3.29Å; V604-D608 PolarHBondContact O-N 2.89Å
605A98.8Very high98.1Very high1 Ų126.4 Ų26.41%0.00814%0.136CC..Hα-helixtrans-61.4-38.2177.200000112.6A12 F14 V16 N602 D608 A609A12-A605 HydrophobicContact CB-CB 3.54Å; F14-A605 HydrophobicContact CE1-CB 3.89Å; F14-A605 HydrophobicContact CZ-CB 3.79Å; V16-A605 HydrophobicContact CG2-CB 3.81Å; N602-A605 PolarHBondContact O-N 2.81Å; A605-D608 PolarHBondContact O-N 3.04Å; A605-A609 PolarHBondContact O-N 2.82Å
606L98.9Very high97.9Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-66-35176.6-76.6168000112.8F14 L19 L335 Y339 V554 L558 L599 N602 V604F14-L606 HydrophobicContact CE1-CD2 4.01Å; F14-L606 HydrophobicContact CE1-CG 3.99Å; F14-L606 HydrophobicContact CZ-CD2 3.74Å; F14-L606 HydrophobicContact CZ-CG 3.93Å; L19-L606 HydrophobicContact CD2-CD2 3.95Å; L335-L606 HydrophobicContact CD2-CB 3.88Å; L335-L606 HydrophobicContact CD2-CD1 3.91Å; Y339-L606 HydrophobicContact CE2-CB 4.4Å; Y339-L606 HydrophobicContact CE2-CD2 4.27Å; Y339-L606 PolarHBondContact OH-O 3.29Å; V554-L606 HydrophobicContact CG1-CD2 4.23Å; V554-L606 HydrophobicContact CG2-CD1 3.94Å; V554-L606 HydrophobicContact CG2-CD2 3.93Å; V554-L606 HydrophobicContact CG2-CG 4.22Å; L558-L606 HydrophobicContact CD1-CD1 4.12Å; L558-L606 HydrophobicContact CD1-CD2 3.91Å; L558-L606 HydrophobicContact CD2-CD1 4.24Å; L558-L606 HydrophobicContact CG-CD1 4.39Å; L599-L606 HydrophobicContact CD2-CD1 4.05Å; N602-L606 HydrophobicContact CB-CD1 4.13Å; N602-L606 HydrophobicContact CB-CG 4.36Å; N602-L606 WeakPolarHBondContact O-CB 3.35Å; N602-L606 VanDerWaalsContact O-CG 3.29Å; N602-L606 WeakPolarHBondContact O-CG 3.42Å; N602-L606 PolarHBondContact O-N 2.94Å; V604-L606 VanDerWaalsContact C-N 3.31Å; V604-L606 PolarHBondContact O-N 2.84Å
607V98.9Very high97.7Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-80.4-28.7173.6-64.10000112.7C297 T298 I301 R302 L335 A603 V604 A609 F610C297-V607 HydrophobicContact CB-CG1 4.47Å; T298-V607 HydrophobicContact CG2-CB 4.25Å; T298-V607 HydrophobicContact CG2-CG2 4.45Å; I301-V607 HydrophobicContact CB-CG1 4.16Å; I301-V607 HydrophobicContact CB-CG2 4.43Å; I301-V607 HydrophobicContact CD1-CG1 3.72Å; I301-V607 HydrophobicContact CG1-CG1 4.46Å; I301-V607 HydrophobicContact CG2-CG1 4.39Å; I301-V607 HydrophobicContact CG2-CG2 4.19Å; R302-V607 HydrophobicContact CG-CG2 4.17Å; L335-V607 HydrophobicContact CD1-CG1 3.71Å; A603-V607 PolarHBondContact O-N 2.96Å; V604-V607 WeakPolarHBondContact O-CG2 3.35Å; V604-V607 PolarHBondContact O-N 2.85Å; V607-A609 VanDerWaalsContact C-N 3.29Å; V607-F610 HydrophobicContact CB-CD2 4.4Å; V607-F610 HydrophobicContact CG1-CE2 4.43Å; V607-F610 WeakPolarHBondContact O-CD2 3.19Å; V607-F610 PolarHBondContact O-N 2.93Å
608D98.9Very high97.5Very high11 Ų1126.9 Ų26.96%0.05913%0.132CC..Hα-helixtrans-67.7-30.6172.9-73.6-15.2000112R9 V16 R302 V604 A605 F610 D611R9-D608 IonicContact CZ-OD2 2.86Å; R9-D608 IonicContact NE-OD2 3.95Å; R9-D608 PolarHBondContact NE-OD2 2.73Å; R9-D608 IonicContact NH2-OD1 3.73Å; R9-D608 PolarHBondContact NH2-OD1 2.81Å; R9-D608 IonicContact NH2-OD2 3.32Å; R9-D608 PolarHBondContact NH2-OD2 3.5Å; R9-D608 VanDerWaalsContact NH2-OD2 3.1Å; V16-D608 HydrophobicContact CG1-CB 4.2Å; R302-D608 IonicContact CZ-OD1 2.61Å; R302-D608 VanDerWaalsContact CZ-OD1 3.26Å; R302-D608 IonicContact NE-OD1 2.85Å; R302-D608 PolarHBondContact NE-OD1 2.91Å; R302-D608 IonicContact NH2-OD1 3.73Å; R302-D608 PolarHBondContact NH2-OD1 3.15Å; V604-D608 WeakPolarHBondContact O-CB 3.41Å; V604-D608 VanDerWaalsContact O-CG 3.29Å; V604-D608 PolarHBondContact O-N 2.89Å; A605-D608 PolarHBondContact O-N 3.04Å; D608-F610 PolarHBondContact O-N 3.09Å; D608-D611 WeakPolarHBondContact O-CA 3.46Å; D608-D611 PolarHBondContact O-N 3.47Å
609A98.8Very high97.5Very high1 Ų123.4 Ų23.41%0.00812%0.116CC..THydrogen-bonded Turntrans-64.2-20.3177.100000114V16 L19 T20 A605 V607 D611V16-A609 HydrophobicContact CG1-CB 3.98Å; L19-A609 HydrophobicContact CB-CB 4.03Å; L19-A609 HydrophobicContact CD2-CB 3.7Å; L19-A609 HydrophobicContact CG-CB 3.79Å; T20-A609 PolarHBondContact OG1-O 2.78Å; A605-A609 PolarHBondContact O-N 2.82Å; V607-A609 VanDerWaalsContact C-N 3.29Å; A609-D611 PolarHBondContact O-N 3.19Å
610F98.7Very high97.5Very high28 Ų2824.3 Ų24.312%0.12312%0.122CC..THydrogen-bonded Turntrans-67.8-12.2169.2-63.7-55.5000113L23 S294 L335 A338 Y339 V607 D608 I612L23-F610 HydrophobicContact CD1-CD1 3.86Å; L23-F610 HydrophobicContact CD1-CE1 4.25Å; S294-F610 WeakPolarHBondContact OG-CE1 3.45Å; S294-F610 WeakPolarHBondContact OG-CZ 3.45Å; L335-F610 HydrophobicContact CD1-CE2 3.83Å; L335-F610 HydrophobicContact CD1-CZ 4.19Å; A338-F610 HydrophobicContact CB-CZ 3.93Å; Y339-F610 HydrophobicContact CD2-CE1 4.16Å; Y339-F610 AromaticContact CD2-CZ 3.65Å; Y339-F610 HydrophobicContact CD2-CZ 3.65Å; Y339-F610 HydrophobicContact CE1-CE1 4.34Å; Y339-F610 AromaticContact CE2-CE1 3.82Å; Y339-F610 HydrophobicContact CE2-CE1 3.82Å; Y339-F610 AromaticContact CE2-CE2 3.98Å; Y339-F610 HydrophobicContact CE2-CE2 3.98Å; Y339-F610 AromaticContact CE2-CZ 3.31Å; Y339-F610 HydrophobicContact CE2-CZ 3.31Å; Y339-F610 HydrophobicContact CG-CZ 4.43Å; Y339-F610 AromaticContact CZ-CE1 3.91Å; Y339-F610 AromaticContact CZ-CZ 3.86Å; V607-F610 HydrophobicContact CB-CD2 4.4Å; V607-F610 HydrophobicContact CG1-CE2 4.43Å; V607-F610 WeakPolarHBondContact O-CD2 3.19Å; V607-F610 PolarHBondContact O-N 2.93Å; D608-F610 PolarHBondContact O-N 3.09Å; F610-I612 VanDerWaalsContact C-N 3.26Å; F610-I612 HydrophobicContact CB-CD1 3.81Å; F610-I612 HydrophobicContact CB-CG1 3.77Å; F610-I612 PolarHBondContact O-N 3.26Å
611D98.3Very high97.5Very high36 Ų3623 Ų2319%0.19312%0.117CC..  trans54.240.5173.3-163.453.7000113.3T20 R33 R34 D608 A609 H613T20-D611 HydrophobicContact CG2-CB 3.72Å; R33-D611 IonicContact CZ-OD2 2.78Å; R33-D611 VanDerWaalsContact CZ-OD2 3.25Å; R33-D611 IonicContact NH1-OD2 3.91Å; R33-D611 PolarHBondContact NH1-OD2 3.44Å; R33-D611 IonicContact NH2-OD2 2.9Å; R33-D611 PolarHBondContact NH2-OD2 2.96Å; R34-D611 IonicContact CZ-OD1 3.13Å; R34-D611 IonicContact CZ-OD2 4Å; R34-D611 IonicContact NE-OD1 3.33Å; R34-D611 PolarHBondContact NE-OD1 2.95Å; R34-D611 IonicContact NE-OD2 2.82Å; R34-D611 PolarHBondContact NE-OD2 3.31Å; R34-D611 VanDerWaalsContact NH2-CG 3.27Å; R34-D611 IonicContact NH2-OD1 2.65Å; R34-D611 PolarHBondContact NH2-OD1 3.34Å; R34-D611 IonicContact NH2-OD2 3.78Å; R34-D611 PolarHBondContact NH2-OD2 2.94Å; D608-D611 WeakPolarHBondContact O-CA 3.46Å; D608-D611 PolarHBondContact O-N 3.47Å; A609-D611 PolarHBondContact O-N 3.19Å; D611-H613 PolarHBondContact O-N 3.06Å
612I97.4Very high97.5Very high18 Ų1820.7 Ų20.79%0.09210%0.102CC..  trans-86.3107.9-177-51169.5000109.3K295 F610 K616 L617K295-I612 HydrophobicContact CG-CD1 3.88Å; K295-I612 HydrophobicContact CG-CG2 4.45Å; F610-I612 VanDerWaalsContact C-N 3.26Å; F610-I612 HydrophobicContact CB-CD1 3.81Å; F610-I612 HydrophobicContact CB-CG1 3.77Å; F610-I612 PolarHBondContact O-N 3.26Å; I612-K616 HydrophobicContact CG2-CB 4.17Å; I612-K616 HydrophobicContact CG2-CG 4.45Å; I612-L617 HydrophobicContact CG2-CB 4.05Å; I612-L617 HydrophobicContact CG2-CD1 4.04Å
613H96.3Very high97.5Very high84 Ų8423.2 Ų23.239%0.38911%0.11SC..  trans-60.5145.4175-169-90.6000112.5F41 D611 K615 K616 L617F41-H613 HydrophobicContact CD2-CB 4.44Å; F41-H613 AromaticContact CD2-CE1 3.81Å; F41-H613 AromaticContact CD2-CG 3.84Å; F41-H613 AromaticContact CD2-ND1 3.55Å; F41-H613 HydrophobicContact CE2-CB 3.63Å; F41-H613 AromaticContact CE2-CG 3.5Å; F41-H613 AromaticContact CE2-ND1 3.42Å; F41-H613 WeakPolarHBondContact CE2-ND1 3.39Å; F41-H613 HydrophobicContact CZ-CB 4.33Å; D611-H613 PolarHBondContact O-N 3.06Å; H613-K615 VanDerWaalsContact C-N 3.29Å; H613-K615 PolarHBondContact ND1-N 3.12Å; H613-K615 VanDerWaalsContact ND1-N 3.18Å; H613-K615 PolarHBondContact O-N 2.87Å; H613-K616 WeakPolarHBondContact O-CA 3.42Å; H613-K616 WeakPolarHBondContact O-CB 3.49Å; H613-K616 PolarHBondContact O-N 2.95Å; H613-L617 PolarHBondContact O-N 3.24Å
614D95.6Very high97.4Very high34 Ų3428.4 Ų28.418%0.18213%0.131CC..Hα-helixtrans-58-37.5-176.4-80.4-3.4000113R302 K616 L617 N618 R623 Y624R302-D614 IonicContact NH1-OD1 3.53Å; D614-K616 PolarHBondContact O-N 2.6Å; D614-L617 PolarHBondContact O-N 2.96Å; D614-N618 PolarHBondContact O-N 3.41Å; D614-R623 IonicContact OD2-CZ 3.44Å; D614-R623 IonicContact OD2-NH1 3.33Å; D614-Y624 PolarHBondContact OD1-N 3.3Å; D614-Y624 PolarHBondContact OD2-N 2.86Å
615K93.3Very high97.4Very high98 Ų9830 Ų3043%0.42614%0.139SC..Hα-helixtrans-61.8-28.5173-69.8-172.5177-167.90113.1F41 P94 H613F41-K615 HydrophobicContact CB-CD 3.89Å; F41-K615 HydrophobicContact CD1-CB 4Å; F41-K615 HydrophobicContact CD1-CD 3.75Å; F41-K615 HydrophobicContact CE1-CB 3.85Å; F41-K615 HydrophobicContact CE1-CD 4.46Å; F41-K615 HydrophobicContact CE2-CB 4.49Å; F41-K615 HydrophobicContact CG-CB 4.39Å; F41-K615 HydrophobicContact CG-CD 3.8Å; F41-K615 HydrophobicContact CZ-CB 4.13Å; F41-K615 PolarHBondContact O-NZ 2.95Å; P94-K615 VanDerWaalsContact CB-O 3.3Å; P94-K615 WeakPolarHBondContact CB-O 3.49Å; H613-K615 VanDerWaalsContact C-N 3.29Å; H613-K615 PolarHBondContact ND1-N 3.12Å; H613-K615 VanDerWaalsContact ND1-N 3.18Å; H613-K615 PolarHBondContact O-N 2.87Å
616K93.4Very high97.4Very high31 Ų3130 Ų3014%0.13514%0.139CC..Hα-helixtrans-86.3-31178.2-163.4175.5-169.7168.80112.8F41 S90 P94 K295 I612 H613 D614F41-K616 HydrophobicContact CZ-CB 4.23Å; S90-K616 WeakPolarHBondContact OG-CE 3.22Å; S90-K616 PolarHBondContact OG-NZ 2.8Å; P94-K616 HydrophobicContact CB-CG 4.41Å; K295-K616 PolarHBondContact NZ-O 3.35Å; I612-K616 HydrophobicContact CG2-CB 4.17Å; I612-K616 HydrophobicContact CG2-CG 4.45Å; H613-K616 WeakPolarHBondContact O-CA 3.42Å; H613-K616 WeakPolarHBondContact O-CB 3.49Å; H613-K616 PolarHBondContact O-N 2.95Å; D614-K616 PolarHBondContact O-N 2.6Å
617L95.4Very high97.4Very high3 Ų332.4 Ų32.42%0.01615%0.152CC..Hα-helixtrans-75.1-33.6175.3-16363.3000111.5K295 T298 I299 I612 H613 D614 S619 G622K295-L617 HydrophobicContact CB-CD1 3.93Å; K295-L617 HydrophobicContact CG-CD1 4.03Å; T298-L617 HydrophobicContact CG2-CD1 4.45Å; T298-L617 HydrophobicContact CG2-CD2 4.04Å; I299-L617 HydrophobicContact CD1-CD1 3.9Å; I299-L617 HydrophobicContact CD1-CG 4.1Å; I299-L617 HydrophobicContact CG1-CD1 3.75Å; I299-L617 HydrophobicContact CG1-CD2 3.87Å; I299-L617 HydrophobicContact CG1-CG 3.77Å; I612-L617 HydrophobicContact CG2-CB 4.05Å; I612-L617 HydrophobicContact CG2-CD1 4.04Å; H613-L617 PolarHBondContact O-N 3.24Å; D614-L617 PolarHBondContact O-N 2.96Å; L617-S619 PolarHBondContact O-N 3.18Å; L617-G622 WeakPolarHBondContact CD2-O 3.28Å
618N94.3Very high97.4Very high48 Ų4832.5 Ų32.526%0.25715%0.153SC..  trans51.933.8179.8-163.941.9000113.7A406 D614A406-N618 WeakPolarHBondContact CB-O 3.5Å; D614-N618 PolarHBondContact O-N 3.41Å
619S98Very high97.4Very high8 Ų836 Ų366%0.05617%0.166CC..  trans-124.1128.2-173.9-1770000111.1I299 S405 L617 L621 G622 R623I299-S619 WeakPolarHBondContact CG2-OG 3.49Å; S405-S619 VanDerWaalsContact C-OG 3.25Å; S405-S619 WeakPolarHBondContact O-CB 3.5Å; S405-S619 PolarHBondContact O-OG 3.16Å; L617-S619 PolarHBondContact O-N 3.18Å; S619-L621 PolarHBondContact OG-N 3.38Å; S619-G622 PolarHBondContact OG-N 3.49Å; S619-G622 VanDerWaalsContact OG-N 3.09Å; S619-R623 WeakPolarHBondContact O-CG 3.25Å
620V98.4Very high97.3Very high20 Ų2042 Ų4212%0.12119%0.193CC..SBendtrans-70.3-37.8170.6179.30000110.9S404 R623 N631 M632 W635S404-V620 WeakPolarHBondContact O-CB 3.38Å; S404-V620 PolarHBondContact O-N 3.44Å; V620-R623 WeakPolarHBondContact O-CG 3.34Å; V620-N631 HydrophobicContact CG1-CB 3.75Å; V620-M632 HydrophobicContact CG1-CB 3.9Å; V620-W635 HydrophobicContact CG2-CB 4.22Å; V620-W635 HydrophobicContact CG2-CG 4.22Å
621L98.7Very high97.3Very high1 Ų143.1 Ų43.11%0.00520%0.201CC..THydrogen-bonded Turntrans-72.8-32.1-179.7-55.2-167.9000112.4I299 Y303 C396 H399 S619 V628 M632I299-L621 HydrophobicContact CG2-CB 4.11Å; Y303-L621 HydrophobicContact CD2-CB 3.86Å; Y303-L621 HydrophobicContact CD2-CD1 4.23Å; Y303-L621 HydrophobicContact CD2-CD2 4.04Å; Y303-L621 HydrophobicContact CD2-CG 4.25Å; Y303-L621 HydrophobicContact CE2-CD1 4.35Å; Y303-L621 HydrophobicContact CE2-CD2 3.94Å; Y303-L621 HydrophobicContact CG-CB 4.14Å; Y303-L621 HydrophobicContact CG-CD1 4.35Å; C396-L621 HydrophobicContact CB-CD1 4.19Å; H399-L621 HydrophobicContact CB-CD1 3.78Å; H399-L621 HydrophobicContact CB-CD2 4.17Å; S619-L621 PolarHBondContact OG-N 3.38Å; L621-V628 HydrophobicContact CD2-CG1 3.5Å; L621-V628 VanDerWaalsContact CD2-CG1 3.5Å; L621-M632 HydrophobicContact CD2-SD 4.18Å
622G98.5Very high97.3Very high0 Ų043.3 Ų43.30%020%0.201CC..THydrogen-bonded Turntrans-92.48.6-176.400000115.4R302 L617 S619R302-G622 WeakPolarHBondContact CD-O 3.24Å; R302-G622 PolarHBondContact NH1-O 3.46Å; L617-G622 WeakPolarHBondContact CD2-O 3.28Å; S619-G622 PolarHBondContact OG-N 3.49Å; S619-G622 VanDerWaalsContact OG-N 3.09Å
623R98.5Very high97.4Very high65 Ų6548.5 Ų48.525%0.24522%0.223CC..  trans-52.9140-176.4-72.2179.861.476.63.2112.4D614 S619 V620 D625 G626 N631D614-R623 IonicContact OD2-CZ 3.44Å; D614-R623 IonicContact OD2-NH1 3.33Å; S619-R623 WeakPolarHBondContact O-CG 3.25Å; V620-R623 WeakPolarHBondContact O-CG 3.34Å; R623-D625 WeakPolarHBondContact CB-OD1 3.34Å; R623-D625 IonicContact CZ-OD1 3.94Å; R623-D625 IonicContact CZ-OD2 2.66Å; R623-D625 IonicContact NE-OD1 3.91Å; R623-D625 PolarHBondContact NE-OD1 3.32Å; R623-D625 VanDerWaalsContact NE-OD1 3.08Å; R623-D625 IonicContact NE-OD2 2.72Å; R623-D625 IonicContact NH2-OD1 2.83Å; R623-D625 IonicContact NH2-OD2 3.06Å; R623-D625 PolarHBondContact NH2-OD2 3.03Å; R623-D625 PolarHBondContact O-N 3.01Å; R623-G626 PolarHBondContact O-N 3.43Å; R623-G626 VanDerWaalsContact O-N 3.15Å; R623-N631 PolarHBondContact NE-ND2 3.45Å
624Y98.6Very high97.5Very high109 Ų10948.1 Ų48.143%0.42722%0.221SC..THydrogen-bonded Turntrans-59.3-36.1178.6-175.3-94.4000112.4M1 R9 D614 G626M1-Y624 HydrophobicContact CE-CD1 3.84Å; M1-Y624 HydrophobicContact CE-CE1 3.47Å; M1-Y624 VanDerWaalsContact CE-CE1 3.47Å; R9-Y624 VanDerWaalsContact CZ-CZ 3.5Å; R9-Y624 VanDerWaalsContact CZ-O 3.27Å; R9-Y624 PolarHBondContact NH1-O 3.35Å; R9-Y624 PolarHBondContact NH2-O 3.32Å; D614-Y624 PolarHBondContact OD1-N 3.3Å; D614-Y624 PolarHBondContact OD2-N 2.86Å; Y624-G626 VanDerWaalsContact C-N 3.32Å; Y624-G626 PolarHBondContact O-N 3.27Å
625D98.5Very high97.6Very high33 Ų3348.2 Ų48.218%0.17622%0.219CC..THydrogen-bonded Turntrans-77.7-11.8-178.965.710.9000114.5M1 N2 R623 N627M1-D625 CarbonylContact C-O 3.48Å; M1-D625 VanDerWaalsContact CA-O 3.29Å; M1-D625 WeakPolarHBondContact CA-O 3.47Å; M1-D625 WeakPolarHBondContact CG-O 3.32Å; N2-D625 PolarHBondContact N-O 3.05Å; R623-D625 WeakPolarHBondContact CB-OD1 3.34Å; R623-D625 IonicContact CZ-OD1 3.94Å; R623-D625 IonicContact CZ-OD2 2.66Å; R623-D625 IonicContact NE-OD1 3.91Å; R623-D625 PolarHBondContact NE-OD1 3.32Å; R623-D625 VanDerWaalsContact NE-OD1 3.08Å; R623-D625 IonicContact NE-OD2 2.72Å; R623-D625 IonicContact NH2-OD1 2.83Å; R623-D625 IonicContact NH2-OD2 3.06Å; R623-D625 PolarHBondContact NH2-OD2 3.03Å; R623-D625 PolarHBondContact O-N 3.01Å; D625-N627 PolarHBondContact O-N 2.89Å; D625-N627 WeakPolarHBondContact OD1-CB 3.28Å; D625-N627 PolarHBondContact OD1-N 3.18Å
626G98.4Very high97.8Very high1 Ų145.4 Ų45.41%0.0122%0.215CC..  trans67.310.2-176.900000115.4N2 R623 Y624 V628N2-G626 WeakPolarHBondContact CB-O 3.43Å; N2-G626 PolarHBondContact ND2-O 3.4Å; R623-G626 PolarHBondContact O-N 3.43Å; R623-G626 VanDerWaalsContact O-N 3.15Å; Y624-G626 VanDerWaalsContact C-N 3.32Å; Y624-G626 PolarHBondContact O-N 3.27Å; G626-V628 PolarHBondContact O-N 3.26Å
627N98.5Very high98Very high52 Ų5250.7 Ų50.728%0.27823%0.233SC..  trans-81.567.4179-67.6-13.5000110.2N2 D625 N631N2-N627 PolarHBondContact N-OD1 2.7Å; D625-N627 PolarHBondContact O-N 2.89Å; D625-N627 WeakPolarHBondContact OD1-CB 3.28Å; D625-N627 PolarHBondContact OD1-N 3.18Å; N627-N631 PolarHBondContact O-ND2 3.27Å
628V98.6Very high98.1Very high1 Ų158.4 Ų58.41%0.00626%0.262CS..Hα-helixtrans-73.6-49.8-167.61760000112.4Y303 V306 L621 G626 N631 M632Y303-V628 HydrophobicContact CD2-CG1 4.14Å; Y303-V628 HydrophobicContact CD2-CG2 4.39Å; Y303-V628 HydrophobicContact CE2-CG1 4.03Å; V306-V628 HydrophobicContact CB-CG2 4.44Å; V306-V628 HydrophobicContact CG1-CB 4.35Å; V306-V628 HydrophobicContact CG1-CG2 4Å; L621-V628 HydrophobicContact CD2-CG1 3.5Å; L621-V628 VanDerWaalsContact CD2-CG1 3.5Å; G626-V628 PolarHBondContact O-N 3.26Å; V628-N631 PolarHBondContact O-N 2.86Å; V628-M632 VanDerWaalsContact O-CB 3.27Å; V628-M632 WeakPolarHBondContact O-CB 3.46Å; V628-M632 PolarHBondContact O-N 3.3Å
629Y98.6Very high98.3Very high86 Ų8657.3 Ų57.334%0.33726%0.258SS..Hα-helixtrans-71-42.8-164-59.9-59.2000113.2V306 R307 M632 F633V306-Y629 HydrophobicContact CG1-CE2 4.5Å; R307-Y629 WeakPolarHBondContact CD-OH 3.32Å; R307-Y629 PolarHBondContact NH1-OH 3.05Å; Y629-M632 HydrophobicContact CD1-CE 4.37Å; Y629-M632 PolarHBondContact O-N 2.94Å; Y629-F633 PolarHBondContact O-N 3.37Å
630E98.4Very high98.2Very high125 Ų12560.4 Ų60.458%0.58428%0.279SS*.Hα-helixtrans-64.2-45.2178.3-58.480.9-176.400110.9M632 F633 E634E630-M632 VanDerWaalsContact C-N 3.32Å; E630-M632 PolarHBondContact O-N 2.69Å; E630-F633 PolarHBondContact O-N 3.32Å; E630-E634 PolarHBondContact O-N 3.37Å; E630-E634 VanDerWaalsContact O-N 3.07Å
631N98.4Very high98.2Very high53 Ų5365.4 Ų65.428%0.28330%0.304SS..Hα-helixtrans-67.9-32.8178.6-75.3-71.9000112.3V620 R623 N627 V628 W635V620-N631 HydrophobicContact CG1-CB 3.75Å; R623-N631 PolarHBondContact NE-ND2 3.45Å; N627-N631 PolarHBondContact O-ND2 3.27Å; V628-N631 PolarHBondContact O-N 2.86Å; N631-W635 VanDerWaalsContact O-CB 3.29Å; N631-W635 WeakPolarHBondContact O-CB 3.3Å; N631-W635 PolarHBondContact O-N 2.81Å
632M98.4Very high98.1Very high40 Ų4069.7 Ų69.720%0.19733%0.327CS..Hα-helixtrans-67.6-40.2176.4-172.4177.16900111.3H399 V620 L621 V628 Y629 E630 W635 A636H399-M632 HydrophobicContact CB-SD 4.45Å; V620-M632 HydrophobicContact CG1-CB 3.9Å; L621-M632 HydrophobicContact CD2-SD 4.18Å; V628-M632 VanDerWaalsContact O-CB 3.27Å; V628-M632 WeakPolarHBondContact O-CB 3.46Å; V628-M632 PolarHBondContact O-N 3.3Å; Y629-M632 HydrophobicContact CD1-CE 4.37Å; Y629-M632 PolarHBondContact O-N 2.94Å; E630-M632 VanDerWaalsContact C-N 3.32Å; E630-M632 PolarHBondContact O-N 2.69Å; M632-W635 PolarHBondContact O-N 3.47Å; M632-A636 PolarHBondContact O-N 3.24Å
633F98.6Very high98Very high126 Ų12674.2 Ų74.255%0.55336%0.364SS*.Hα-helixtrans-62.7-48.8174.3-178.7-118.1000111.7Y629 E630 W635 A636 R637Y629-F633 PolarHBondContact O-N 3.37Å; E630-F633 PolarHBondContact O-N 3.32Å; F633-W635 VanDerWaalsContact C-N 3.34Å; F633-W635 PolarHBondContact O-N 2.62Å; F633-A636 PolarHBondContact O-N 3.44Å; F633-R637 VanDerWaalsContact CE1-CD 3.46Å; F633-R637 HydrophobicContact CE1-CG 4.39Å; F633-R637 HydrophobicContact CE2-CG 4.25Å; F633-R637 HydrophobicContact CZ-CG 4.2Å; F633-R637 WeakPolarHBondContact O-CG 3.33Å; F633-R637 PolarHBondContact O-N 3.25Å
634E98.3Very high97.9Very high76 Ų7673.8 Ų73.836%0.35538%0.375SS..Hα-helixtrans-67-31.9178.6-70.6-55.3132.700113.4E630 R637 R638E630-E634 PolarHBondContact O-N 3.37Å; E630-E634 VanDerWaalsContact O-N 3.07Å; E634-R637 IonicContact OE1-CZ 3.83Å; E634-R637 IonicContact OE1-NH1 3.08Å; E634-R637 PolarHBondContact OE1-NH1 3.01Å; E634-R637 IonicContact OE2-NH1 3.74Å; E634-R638 WeakPolarHBondContact O-CG 3.21Å; E634-R638 PolarHBondContact O-N 3.05Å; E634-R638 PolarHBondContact O-NE 3.03Å
635W98.1Very high97.8Very high37 Ų3777.9 Ų77.914%0.1440%0.398CS..Hα-helixtrans-63.1-47.2170.7-175.189.5000111.3D50 N52 F53 R403 V620 N631 M632 F633 R637 R638 S639D50-W635 PolarHBondContact OD2-NE1 3.48Å; N52-W635 HydrophobicContact CB-CZ2 4.24Å; F53-W635 HydrophobicContact CD1-CZ2 4.48Å; F53-W635 HydrophobicContact CE1-CD2 4.34Å; F53-W635 AromaticContact CE1-CE2 3.72Å; F53-W635 AromaticContact CE1-CH2 3.84Å; F53-W635 HydrophobicContact CE1-CH2 3.84Å; F53-W635 AromaticContact CE1-CZ2 3.46Å; F53-W635 HydrophobicContact CE1-CZ2 3.46Å; F53-W635 VanDerWaalsContact CE1-CZ2 3.46Å; F53-W635 HydrophobicContact CE1-CZ3 4.42Å; F53-W635 AromaticContact CZ-CD2 3.89Å; F53-W635 HydrophobicContact CZ-CD2 3.89Å; F53-W635 AromaticContact CZ-CE2 3.49Å; F53-W635 VanDerWaalsContact CZ-CE2 3.49Å; F53-W635 HydrophobicContact CZ-CE3 4.45Å; F53-W635 HydrophobicContact CZ-CG 4.26Å; F53-W635 HydrophobicContact CZ-CH2 4.36Å; F53-W635 AromaticContact CZ-CZ2 3.78Å; F53-W635 HydrophobicContact CZ-CZ2 3.78Å; F53-W635 AromaticContact CZ-NE1 3.61Å; F53-W635 WeakPolarHBondContact CZ-O 3.16Å; R403-W635 HydrophobicContact CB-CH2 4.24Å; R403-W635 HydrophobicContact CB-CZ2 4.29Å; V620-W635 HydrophobicContact CG2-CB 4.22Å; V620-W635 HydrophobicContact CG2-CG 4.22Å; N631-W635 VanDerWaalsContact O-CB 3.29Å; N631-W635 WeakPolarHBondContact O-CB 3.3Å; N631-W635 PolarHBondContact O-N 2.81Å; M632-W635 PolarHBondContact O-N 3.47Å; F633-W635 VanDerWaalsContact C-N 3.34Å; F633-W635 PolarHBondContact O-N 2.62Å; W635-R637 PolarHBondContact O-N 3.34Å; W635-R638 PolarHBondContact O-N 3.03Å; W635-S639 PolarHBondContact O-N 3.1Å
636A98.3Very high97.8Very high39 Ų3980.6 Ų80.632%0.32242%0.415SS..Hα-helixtrans-63.4-42.5179.300000112.3M632 F633 R638 S639 N642M632-A636 PolarHBondContact O-N 3.24Å; F633-A636 PolarHBondContact O-N 3.44Å; A636-R638 VanDerWaalsContact C-N 3.26Å; A636-R638 PolarHBondContact O-N 3.1Å; A636-S639 WeakPolarHBondContact O-CB 3.3Å; A636-S639 PolarHBondContact O-N 3.28Å; A636-S639 VanDerWaalsContact O-N 3.08Å; A636-S639 PolarHBondContact O-OG 2.69Å; A636-N642 PolarHBondContact O-ND2 3.39Å
637R97.8Very high97.8Very high141 Ų14184.7 Ų84.753%0.53243%0.434SS..Hα-helixtrans-59.7-34.3178.7-74179.470.3-163.83.4113.5F633 E634 W635 S639F633-R637 VanDerWaalsContact CE1-CD 3.46Å; F633-R637 HydrophobicContact CE1-CG 4.39Å; F633-R637 HydrophobicContact CE2-CG 4.25Å; F633-R637 HydrophobicContact CZ-CG 4.2Å; F633-R637 WeakPolarHBondContact O-CG 3.33Å; F633-R637 PolarHBondContact O-N 3.25Å; E634-R637 IonicContact OE1-CZ 3.83Å; E634-R637 IonicContact OE1-NH1 3.08Å; E634-R637 PolarHBondContact OE1-NH1 3.01Å; E634-R637 IonicContact OE2-NH1 3.74Å; W635-R637 PolarHBondContact O-N 3.34Å; R637-S639 VanDerWaalsContact C-N 3.3Å
638R96.8Very high97.8Very high165 Ų16587.5 Ų87.562%0.62345%0.445SS*.THydrogen-bonded Turntrans-80.5-7.4178.8-68.9179.4-66.2162.61.9113.9F53 E634 W635 A636F53-R638 HydrophobicContact CE2-CB 4.15Å; E634-R638 WeakPolarHBondContact O-CG 3.21Å; E634-R638 PolarHBondContact O-N 3.05Å; E634-R638 PolarHBondContact O-NE 3.03Å; W635-R638 PolarHBondContact O-N 3.03Å; A636-R638 VanDerWaalsContact C-N 3.26Å; A636-R638 PolarHBondContact O-N 3.1Å
639S97.2Very high97.7Very high25 Ų2589.4 Ų89.418%0.17546%0.459CS..SBendtrans-66.9147-177.270.70000112.3W635 A636 R637 L641 N642W635-S639 PolarHBondContact O-N 3.1Å; A636-S639 WeakPolarHBondContact O-CB 3.3Å; A636-S639 PolarHBondContact O-N 3.28Å; A636-S639 VanDerWaalsContact O-N 3.08Å; A636-S639 PolarHBondContact O-OG 2.69Å; R637-S639 VanDerWaalsContact C-N 3.3Å; S639-L641 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 2.96Å; S639-L641 VanDerWaalsContact O-N 3.12Å; S639-N642 WeakPolarHBondContact O-CB 3.32Å; S639-N642 PolarHBondContact O-N 3.02Å; S639-N642 PolarHBondContact OG-ND2 3.01Å
640P97.3Very high97.7Very high74 Ų7488 Ų8848%0.48146%0.455SS..G310 helixtrans-57.4-32.5-169.5-29.835.1000116F53 N642 A643F53-P640 HydrophobicContact CB-CG 3.68Å; F53-P640 HydrophobicContact CD1-CG 4.39Å; F53-P640 HydrophobicContact CG-CG 4.17Å; F53-P640 WeakPolarHBondContact O-CG 3.17Å; P640-N642 PolarHBondContact O-N 2.65Å; P640-A643 VanDerWaalsContact O-CB 3.25Å; P640-A643 WeakPolarHBondContact O-CB 3.48Å; P640-A643 PolarHBondContact O-N 3.14Å; P640-A643 VanDerWaalsContact O-N 3.12Å
641L97.7Very high97.7Very high125 Ų12586.8 Ų86.865%0.65445%0.449SS*.G310 helixtrans-66.2-20.1178.5-74.1178.7000113.1S639S639-L641 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 2.96Å; S639-L641 VanDerWaalsContact O-N 3.12Å
642N97.7Very high97.7Very high90 Ų9089.2 Ų89.248%0.48146%0.457SS..G310 helixtrans-93.98.2177.6-64-29.9000112.6A636 S639 P640 A644A636-N642 PolarHBondContact O-ND2 3.39Å; S639-N642 WeakPolarHBondContact O-CB 3.32Å; S639-N642 PolarHBondContact O-N 3.02Å; S639-N642 PolarHBondContact OG-ND2 3.01Å; P640-N642 PolarHBondContact O-N 2.65Å; N642-A644 PolarHBondContact O-N 3.38Å
643A95.6Very high97.7Very high95 Ų9594.9 Ų94.979%0.78548%0.477SS*.G310 helixtrans-63.1-19.617300000112.8P640P640-A643 VanDerWaalsContact O-CB 3.25Å; P640-A643 WeakPolarHBondContact O-CB 3.48Å; P640-A643 PolarHBondContact O-N 3.14Å; P640-A643 VanDerWaalsContact O-N 3.12Å
644A96.8Very high97.6Very high57 Ų5792.8 Ų92.847%0.47147%0.471SS..SBendtrans-140.3142.3169.900000110.2N642 V646N642-A644 PolarHBondContact O-N 3.38Å; A644-V646 PolarHBondContact O-N 2.9Å
645E97.3Very high97.6Very high195 Ų19594.8 Ų94.891%0.91148%0.479SS*.SBendtrans-62.3-29178-67-63.3153.300113.1
646V97.7Very high97.6Very high89 Ų8995.5 Ų95.554%0.53949%0.488SS..SBendtrans-125.1111.4177.9-177.30000109.1A644 F650A644-V646 PolarHBondContact O-N 2.9Å; V646-F650 HydrophobicContact CG1-CB 3.84Å; V646-F650 HydrophobicContact CG1-CD1 3.84Å; V646-F650 HydrophobicContact CG1-CG 4.03Å
647H98.1Very high97.6Very high87 Ų8798.1 Ų98.140%0.40350%0.497SS..  trans-63.7143.5177.5-170.2-92.9000111.6S649 F650H647-S649 VanDerWaalsContact ND1-CB 3.3Å; H647-S649 WeakPolarHBondContact ND1-CB 3.49Å; H647-S649 PolarHBondContact ND1-N 2.95Å; H647-S649 VanDerWaalsContact ND1-N 3.15Å; H647-S649 PolarHBondContact ND1-OG 3.44Å; H647-S649 PolarHBondContact O-N 3.35Å; H647-S649 VanDerWaalsContact O-N 3.07Å; H647-F650 WeakPolarHBondContact O-CB 3.5Å; H647-F650 PolarHBondContact O-N 3.11Å
648E97.7Very high97.5Very high111 Ų11199.7 Ų99.752%0.51950%0.502SS..Hα-helixtrans-58.2-26.4-176.951.4155.1-136.300114F650 Q651 K652E648-F650 PolarHBondContact O-N 2.85Å; E648-Q651 PolarHBondContact O-N 3.44Å; E648-Q651 VanDerWaalsContact O-N 3.15Å; E648-K652 WeakPolarHBondContact O-CG 3.26Å; E648-K652 PolarHBondContact O-N 3.23Å; E648-K652 IonicContact OE1-NZ 3.76Å; E648-K652 PolarHBondContact OE1-NZ 3.1Å; E648-K652 WeakPolarHBondContact OE2-CE 3.3Å; E648-K652 IonicContact OE2-NZ 3.4Å; E648-K652 PolarHBondContact OE2-NZ 2.91Å
649S98Very high97.4Very high41 Ų4196.3 Ų96.329%0.28750%0.504SS..Hα-helixtrans-58.9-27.1174.964.30000112.8H647 Y653 L654H647-S649 VanDerWaalsContact ND1-CB 3.3Å; H647-S649 WeakPolarHBondContact ND1-CB 3.49Å; H647-S649 PolarHBondContact ND1-N 2.95Å; H647-S649 VanDerWaalsContact ND1-N 3.15Å; H647-S649 PolarHBondContact ND1-OG 3.44Å; H647-S649 PolarHBondContact O-N 3.35Å; H647-S649 VanDerWaalsContact O-N 3.07Å; S649-Y653 WeakPolarHBondContact O-CB 3.46Å; S649-Y653 PolarHBondContact O-N 3.22Å; S649-L654 PolarHBondContact O-N 3.34Å
650F98.3Very high97.2Very high57 Ų57103.8 Ų103.825%0.2553%0.533CS..Iπ-helixtrans-63.9-50.4174.7175.2-97000111.2V646 H647 E648 L654 K655V646-F650 HydrophobicContact CG1-CB 3.84Å; V646-F650 HydrophobicContact CG1-CD1 3.84Å; V646-F650 HydrophobicContact CG1-CG 4.03Å; H647-F650 WeakPolarHBondContact O-CB 3.5Å; H647-F650 PolarHBondContact O-N 3.11Å; E648-F650 PolarHBondContact O-N 2.85Å; F650-L654 HydrophobicContact CB-CD1 4.46Å; F650-L654 HydrophobicContact CD2-CB 3.72Å; F650-L654 HydrophobicContact CD2-CD1 4.02Å; F650-L654 HydrophobicContact CD2-CG 4.48Å; F650-L654 HydrophobicContact CE2-CB 4.24Å; F650-L654 HydrophobicContact CG-CB 4.43Å; F650-L654 PolarHBondContact O-N 2.99Å; F650-L654 VanDerWaalsContact O-N 3.08Å; F650-K655 HydrophobicContact CD1-CB 4.42Å; F650-K655 HydrophobicContact CE1-CB 4Å; F650-K655 HydrophobicContact CE1-CD 4.45Å; F650-K655 HydrophobicContact CZ-CB 4.14Å; F650-K655 WeakPolarHBondContact O-CB 3.35Å; F650-K655 PolarHBondContact O-N 2.83Å
651Q97.6Very high96.8Very high99 Ų99109 Ų10946%0.46356%0.556SS.*Iπ-helixtrans-67.7-39.1179.5-60.5-63.5-20.100111.4E648 P656E648-Q651 PolarHBondContact O-N 3.44Å; E648-Q651 VanDerWaalsContact O-N 3.15Å; Q651-P656 VanDerWaalsContact O-CD 3.27Å; Q651-P656 WeakPolarHBondContact O-CD 3.44Å
652K98Very high96.8Very high105 Ų105108.3 Ų108.346%0.45755%0.552SS.*Iπ-helixtrans-69.3-40.2-178.5-69.1178.1-174.9175.20113.1E648E648-K652 WeakPolarHBondContact O-CG 3.26Å; E648-K652 PolarHBondContact O-N 3.23Å; E648-K652 IonicContact OE1-NZ 3.76Å; E648-K652 PolarHBondContact OE1-NZ 3.1Å; E648-K652 WeakPolarHBondContact OE2-CE 3.3Å; E648-K652 IonicContact OE2-NZ 3.4Å; E648-K652 PolarHBondContact OE2-NZ 2.91Å
653Y98.3Very high96.7Very high159 Ų159109.2 Ų109.262%0.62456%0.555SS**Iπ-helixtrans-128-46.8-166.4-51.9-63.5000114S649 L657S649-Y653 WeakPolarHBondContact O-CB 3.46Å; S649-Y653 PolarHBondContact O-N 3.22Å; Y653-L657 VanDerWaalsContact O-CB 3.24Å; Y653-L657 WeakPolarHBondContact O-CB 3.38Å; Y653-L657 PolarHBondContact O-N 3.32Å
654L97.9Very high96.8Very high82 Ų82110 Ų11043%0.42954%0.543SS..Iπ-helixtrans-77-40.7-172.1-59.1179000112.9S649 F650 L657 R658S649-L654 PolarHBondContact O-N 3.34Å; F650-L654 HydrophobicContact CB-CD1 4.46Å; F650-L654 HydrophobicContact CD2-CB 3.72Å; F650-L654 HydrophobicContact CD2-CD1 4.02Å; F650-L654 HydrophobicContact CD2-CG 4.48Å; F650-L654 HydrophobicContact CE2-CB 4.24Å; F650-L654 HydrophobicContact CG-CB 4.43Å; F650-L654 PolarHBondContact O-N 2.99Å; F650-L654 VanDerWaalsContact O-N 3.08Å; L654-L657 PolarHBondContact O-N 2.72Å; L654-R658 WeakPolarHBondContact O-CB 3.4Å; L654-R658 WeakPolarHBondContact O-CG 3.46Å; L654-R658 PolarHBondContact O-N 3.03Å
655K97.8Very high96.8Very high117 Ų117113.1 Ų113.151%0.50955%0.547SS..Hα-helixtrans-64.6-47.2177178.8-177.7-178.6-176.50111.3F650 L657 R658 S659F650-K655 HydrophobicContact CD1-CB 4.42Å; F650-K655 HydrophobicContact CE1-CB 4Å; F650-K655 HydrophobicContact CE1-CD 4.45Å; F650-K655 HydrophobicContact CZ-CB 4.14Å; F650-K655 WeakPolarHBondContact O-CB 3.35Å; F650-K655 PolarHBondContact O-N 2.83Å; K655-L657 PolarHBondContact O-N 3.42Å; K655-R658 PolarHBondContact O-N 2.82Å; K655-S659 PolarHBondContact O-N 3.4Å; K655-S659 VanDerWaalsContact O-N 3.13Å
656P97.9Very high96.8Very high52 Ų52108 Ų10834%0.33852%0.524SS..Hα-helixtrans-61.9-38.7172.3-25.936.1000113.7Q651 S659 K660Q651-P656 VanDerWaalsContact O-CD 3.27Å; Q651-P656 WeakPolarHBondContact O-CD 3.44Å; P656-S659 WeakPolarHBondContact CA-OG 3.42Å; P656-S659 PolarHBondContact O-N 3.49Å; P656-S659 PolarHBondContact O-OG 3.47Å; P656-K660 WeakPolarHBondContact O-CG 3.44Å; P656-K660 PolarHBondContact O-N 3.2Å
657L97.6Very high96.7Very high95 Ų95109.3 Ų109.350%0.49752%0.523SS..Hα-helixtrans-59.5-48.7175.5175.563.7000111Y653 L654 K655 S659 K660 L661Y653-L657 VanDerWaalsContact O-CB 3.24Å; Y653-L657 WeakPolarHBondContact O-CB 3.38Å; Y653-L657 PolarHBondContact O-N 3.32Å; L654-L657 PolarHBondContact O-N 2.72Å; K655-L657 PolarHBondContact O-N 3.42Å; L657-S659 VanDerWaalsContact C-N 3.28Å; L657-S659 PolarHBondContact O-N 3.1Å; L657-K660 PolarHBondContact O-N 3.24Å; L657-L661 HydrophobicContact CD1-CD1 4.4Å; L657-L661 HydrophobicContact CD1-CG 4.46Å; L657-L661 HydrophobicContact CG-CD1 4.25Å; L657-L661 PolarHBondContact O-N 3.35Å
658R96.2Very high96.6Very high174 Ų174110.9 Ų110.966%0.65753%0.531SS*.Hα-helixtrans-62.9-31.4179.4-75.9-179.4178.8-171.50.6113.6L654 K655 K660L654-R658 WeakPolarHBondContact O-CB 3.4Å; L654-R658 WeakPolarHBondContact O-CG 3.46Å; L654-R658 PolarHBondContact O-N 3.03Å; K655-R658 PolarHBondContact O-N 2.82Å; R658-K660 PolarHBondContact O-N 2.94Å
659S94.3Very high96.5Very high94 Ų94110.8 Ų110.866%0.65753%0.532SS*.THydrogen-bonded Turntrans-72.9-12.3176.159.40000114.2K655 P656 L657K655-S659 PolarHBondContact O-N 3.4Å; K655-S659 VanDerWaalsContact O-N 3.13Å; P656-S659 WeakPolarHBondContact CA-OG 3.42Å; P656-S659 PolarHBondContact O-N 3.49Å; P656-S659 PolarHBondContact O-OG 3.47Å; L657-S659 VanDerWaalsContact C-N 3.28Å; L657-S659 PolarHBondContact O-N 3.1Å
660K94Very high96.4Very high181 Ų181116.7 Ų116.779%0.78755%0.553SS**THydrogen-bonded Turntrans-106.2-13.2-178.5-68.3-179.5179.5-175.50113.5P656 L657 R658P656-K660 WeakPolarHBondContact O-CG 3.44Å; P656-K660 PolarHBondContact O-N 3.2Å; L657-K660 PolarHBondContact O-N 3.24Å; R658-K660 PolarHBondContact O-N 2.94Å
661L88.8Confident96.2Very high185 Ų185122.1 Ų122.197%0.96958%0.58SS**  trans-890168.7-64.7174.5000108.4L657L657-L661 HydrophobicContact CD1-CD1 4.4Å; L657-L661 HydrophobicContact CD1-CG 4.46Å; L657-L661 HydrophobicContact CG-CD1 4.25Å; L657-L661 PolarHBondContact O-N 3.35Å

Retrieved 661 of 661 residues in 888.1 ms (Link to these results)

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