G4VMD4_SCHMA Loading...

Putative adenylsulfate kinase

AlphaFold DB , UniProt , Accession G4VMD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 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
1M54.6Low79.1Confident231 Ų231133.4 Ų133.4100%1.13872%0.719SS**  0144.20-76.7-177.6-170.800108.7
2S58.7Low79.9Confident72 Ų72128.9 Ų128.950%0.50369%0.693SS.*  trans-63139.917152.80000110.7N4 I5S2-N4 PolarHBondContact O-N 3.01Å; S2-N4 VanDerWaalsContact O-N 3.12Å; S2-I5 WeakPolarHBondContact OG-CD1 3.29Å; S2-I5 WeakPolarHBondContact OG-CG1 3.5Å
3T78.8Confident80.6Confident135 Ų135124.5 Ų124.583%0.82867%0.674SS**THydrogen-bonded Turntrans-67.5-8.9-175.951.10000114.9
4N85.2Confident81.1Confident149 Ų149117.2 Ų117.280%0.79763%0.633SS**THydrogen-bonded Turntrans-101.620.7-172.4-58.8-11.3000113.2S2S2-N4 PolarHBondContact O-N 3.01Å; S2-N4 VanDerWaalsContact O-N 3.12Å
5I83.6Confident81.3Confident126 Ų126116.1 Ų116.165%0.64663%0.627SS**  trans-113.5120.8178.2-59.2175.1000108.7S2S2-I5 WeakPolarHBondContact OG-CD1 3.29Å; S2-I5 WeakPolarHBondContact OG-CG1 3.5Å
6T85Confident81.5Confident112 Ų112114.7 Ų114.769%0.68762%0.615SS**  trans-109.9128.3174.7-48.50000109.3Q8T6-Q8 PolarHBondContact O-N 3.28Å
7H82.9Confident81.7Confident152 Ų152110.5 Ų110.570%0.70459%0.588SS**  trans-68.9128.9174.8179-94.8000110.4
8Q85.2Confident81.3Confident156 Ų156104.6 Ų104.673%0.72956%0.557SS**  trans-104.6107175.7-66.8-67.8-1500108.8T6T6-Q8 PolarHBondContact O-N 3.28Å
9P82.2Confident80.3Confident86 Ų86105.1 Ų105.156%0.55856%0.564SS**  trans-68.6140.2177.729-33.2000110.8
10S85.9Confident78.9Confident70 Ų70103.7 Ų103.749%0.4956%0.563SS.*  trans-66139.1171.3176.20000110.4I12 R17S10-I12 WeakPolarHBondContact CB-O 3.48Å; S10-I12 PolarHBondContact O-N 3Å; S10-I12 PolarHBondContact OG-N 2.67Å; S10-I12 PolarHBondContact OG-O 3.47Å; S10-R17 PolarHBondContact OG-NH2 2.79Å
11H88.5Confident77.6Confident178 Ų178103.4 Ų103.482%0.82456%0.561SS**SBendtrans-76.3-8.7170.1-62.9-56.5000113.3
12I88.8Confident77.6Confident80 Ų8098.6 Ų98.641%0.4153%0.533SS..SBendtrans-111.9121.5176.5-52.5-61.8000108.3S10 Q16 R17S10-I12 WeakPolarHBondContact CB-O 3.48Å; S10-I12 PolarHBondContact O-N 3Å; S10-I12 PolarHBondContact OG-N 2.67Å; S10-I12 PolarHBondContact OG-O 3.47Å; I12-Q16 HydrophobicContact CG2-CB 3.72Å; I12-R17 HydrophobicContact CB-CG 4.45Å; I12-R17 HydrophobicContact CG2-CG 3.46Å; I12-R17 VanDerWaalsContact CG2-CG 3.46Å; I12-R17 PolarHBondContact O-NH2 3.15Å
13T88.4Confident77.4Confident72 Ų7296.7 Ų96.744%0.44252%0.52SS..  trans-75.8161.2174.770.30000111.2D15 Q16 R17T13-D15 VanDerWaalsContact C-N 3.33Å; T13-D15 PolarHBondContact O-N 3.25Å; T13-Q16 PolarHBondContact O-N 3.37Å; T13-Q16 VanDerWaalsContact O-N 3.13Å; T13-Q16 WeakPolarHBondContact OG1-CB 3.42Å; T13-Q16 VanDerWaalsContact OG1-CG 3.29Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.49Å; T13-Q16 PolarHBondContact OG1-N 3.44Å; T13-Q16 VanDerWaalsContact OG1-N 3.14Å; T13-Q16 PolarHBondContact OG1-OE1 3.19Å; T13-R17 WeakPolarHBondContact O-CG 3.43Å; T13-R17 PolarHBondContact O-N 3.35Å
14H87.2Confident77.1Confident22 Ų2295 Ų9510%0.10250%0.499CS..Hα-helixtrans-51.7-49.9172.1175.4-112.9000112.1Q16 R17 S18 G27 A96 L126H14-Q16 VanDerWaalsContact C-N 3.32Å; H14-Q16 PolarHBondContact O-N 3.4Å; H14-R17 WeakPolarHBondContact O-CB 3.41Å; H14-R17 PolarHBondContact O-N 2.88Å; H14-S18 PolarHBondContact O-N 3.34Å; H14-S18 PolarHBondContact O-OG 3.33Å; H14-G27 PolarHBondContact CE1-O 2.89Å; H14-G27 VanDerWaalsContact CE1-O 3.25Å; H14-G27 PolarHBondContact NE2-O 3.19Å; H14-A96 PolarHBondContact CD2-O 2.74Å; H14-A96 VanDerWaalsContact CD2-O 3.25Å; H14-A96 PolarHBondContact NE2-O 3.33Å; H14-L126 HydrophobicContact CB-CD2 4.11Å
15D84.5Confident77Confident101 Ų10188.1 Ų88.154%0.5446%0.462SS..Hα-helixtrans-58.2-40.7176-63.3-25.4000113T13 R17 S18 V19T13-D15 VanDerWaalsContact C-N 3.33Å; T13-D15 PolarHBondContact O-N 3.25Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 3.34Å; D15-S18 WeakPolarHBondContact O-CB 3.5Å; D15-S18 PolarHBondContact O-N 2.88Å; D15-V19 WeakPolarHBondContact O-CG2 3.43Å; D15-V19 PolarHBondContact O-N 2.67Å; D15-V19 VanDerWaalsContact O-N 3.1Å
16Q84.4Confident77.4Confident93 Ų9384.9 Ų84.944%0.43544%0.444SS..Hα-helixtrans-66.4-32176.9-74.8173.7-36.500112.1I12 T13 H14 S18 V19 S20I12-Q16 HydrophobicContact CG2-CB 3.72Å; T13-Q16 PolarHBondContact O-N 3.37Å; T13-Q16 VanDerWaalsContact O-N 3.13Å; T13-Q16 WeakPolarHBondContact OG1-CB 3.42Å; T13-Q16 VanDerWaalsContact OG1-CG 3.29Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.49Å; T13-Q16 PolarHBondContact OG1-N 3.44Å; T13-Q16 VanDerWaalsContact OG1-N 3.14Å; T13-Q16 PolarHBondContact OG1-OE1 3.19Å; H14-Q16 VanDerWaalsContact C-N 3.32Å; H14-Q16 PolarHBondContact O-N 3.4Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-V19 PolarHBondContact O-N 3.45Å; Q16-S20 WeakPolarHBondContact O-CB 3.45Å; Q16-S20 PolarHBondContact O-N 2.88Å; Q16-S20 PolarHBondContact O-OG 3.19Å
17R85.8Confident77.8Confident44 Ų4479.6 Ų79.617%0.16641%0.411CS..Hα-helixtrans-67.4-34.8174.1-63.2-160.8-164.787.6-12.4111.9S10 I12 T13 H14 D15 S20 N21 D97 N99S10-R17 PolarHBondContact OG-NH2 2.79Å; I12-R17 HydrophobicContact CB-CG 4.45Å; I12-R17 HydrophobicContact CG2-CG 3.46Å; I12-R17 VanDerWaalsContact CG2-CG 3.46Å; I12-R17 PolarHBondContact O-NH2 3.15Å; T13-R17 WeakPolarHBondContact O-CG 3.43Å; T13-R17 PolarHBondContact O-N 3.35Å; H14-R17 WeakPolarHBondContact O-CB 3.41Å; H14-R17 PolarHBondContact O-N 2.88Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 3.34Å; R17-S20 WeakPolarHBondContact CA-OG 3.28Å; R17-S20 PolarHBondContact O-OG 2.96Å; R17-N21 PolarHBondContact O-N 3.27Å; R17-D97 VanDerWaalsContact CD-O 3.28Å; R17-D97 WeakPolarHBondContact CD-O 3.12Å; R17-D97 IonicContact CZ-OD1 2.69Å; R17-D97 IonicContact CZ-OD2 2.74Å; R17-D97 VanDerWaalsContact CZ-OD2 3.32Å; R17-D97 PolarHBondContact NH1-O 3.14Å; R17-D97 IonicContact NH1-OD1 3.56Å; R17-D97 PolarHBondContact NH1-OD1 2.54Å; R17-D97 IonicContact NH1-OD2 3.36Å; R17-D97 PolarHBondContact NH1-OD2 2.9Å; R17-D97 VanDerWaalsContact NH1-OD2 3.11Å; R17-D97 IonicContact NH2-OD1 3.52Å; R17-D97 IonicContact NH2-OD2 2.74Å; R17-D97 PolarHBondContact NH2-OD2 2.74Å; R17-N99 HydrophobicContact CB-CB 3.89Å
18S73.9Confident78.5Confident4 Ų472.3 Ų72.33%0.02838%0.378CS..Hα-helixtrans-63.3-47.8173.4-47.90000111.6H14 D15 Q16 S23 H26 N99H14-S18 PolarHBondContact O-N 3.34Å; H14-S18 PolarHBondContact O-OG 3.33Å; D15-S18 WeakPolarHBondContact O-CB 3.5Å; D15-S18 PolarHBondContact O-N 2.88Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; S18-S23 PolarHBondContact O-N 3.13Å; S18-H26 PolarHBondContact OG-CD2 3.38Å; S18-N99 PolarHBondContact OG-OD1 3.48Å; S18-N99 VanDerWaalsContact OG-OD1 3.11Å
19V61.7Low79.2Confident113 Ų11364.9 Ų64.969%0.68534%0.343SS*.Hα-helixtrans-71.6-42.9-178.7178.50000112.5D15 Q16 N21 K22D15-V19 WeakPolarHBondContact O-CG2 3.43Å; D15-V19 PolarHBondContact O-N 2.67Å; D15-V19 VanDerWaalsContact O-N 3.1Å; Q16-V19 PolarHBondContact O-N 3.45Å; V19-N21 VanDerWaalsContact C-N 3.32Å; V19-N21 PolarHBondContact O-N 2.82Å; V19-K22 PolarHBondContact O-N 2.98Å; V19-K22 VanDerWaalsContact O-N 3.12Å
20S51.8Low80Confident77 Ų7760.8 Ų60.854%0.53832%0.316SS..Hα-helixtrans-66.2-31.1-174.555.30000113.5Q16 R17 K22Q16-S20 WeakPolarHBondContact O-CB 3.45Å; Q16-S20 PolarHBondContact O-N 2.88Å; Q16-S20 PolarHBondContact O-OG 3.19Å; R17-S20 WeakPolarHBondContact CA-OG 3.28Å; R17-S20 PolarHBondContact O-OG 2.96Å; S20-K22 PolarHBondContact O-N 3.5Å
21N52.4Low80.6Confident99 Ų9957.5 Ų57.553%0.52929%0.293SS..THydrogen-bonded Turntrans-80.98.8176.5-75.1-19.1000113.7R17 V19 S23R17-N21 PolarHBondContact O-N 3.27Å; V19-N21 VanDerWaalsContact C-N 3.32Å; V19-N21 PolarHBondContact O-N 2.82Å; N21-S23 WeakPolarHBondContact CB-OG 3.45Å; N21-S23 PolarHBondContact O-N 2.68Å; N21-S23 PolarHBondContact O-OG 3.5Å; N21-S23 VanDerWaalsContact O-OG 3.06Å
22K53.9Low81Confident129 Ų12949 Ų4956%0.56125%0.254SS*.THydrogen-bonded Turntrans53.725.9-174.2-49.1173-178.3-178.80111.7V19 S20 S284V19-K22 PolarHBondContact O-N 2.98Å; V19-K22 VanDerWaalsContact O-N 3.12Å; S20-K22 PolarHBondContact O-N 3.5Å; K22-S284 WeakPolarHBondContact CD-OG 3.42Å; K22-S284 VanDerWaalsContact CE-CB 3.43Å; K22-S284 WeakPolarHBondContact CE-OG 3.44Å; K22-S284 WeakPolarHBondContact CG-OG 3.37Å; K22-S284 PolarHBondContact NZ-O 2.93Å
23S56.2Low81.4Confident33 Ų3345.2 Ų45.223%0.23123%0.234CC..  trans-94.2135.3-168.8-65.50000109.1S18 N21 F25S18-S23 PolarHBondContact O-N 3.13Å; N21-S23 WeakPolarHBondContact CB-OG 3.45Å; N21-S23 PolarHBondContact O-N 2.68Å; N21-S23 PolarHBondContact O-OG 3.5Å; N21-S23 VanDerWaalsContact O-OG 3.06Å; S23-F25 PolarHBondContact O-N 3.49Å
24W70.7Confident81.8Confident99 Ų9941.8 Ų41.838%0.37521%0.213SC..SBendtrans-83.210.8178.449.9-102.9000113.4R54 I56 V201 P202 V207W24-R54 HydrophobicContact CH2-CB 4.33Å; W24-R54 HydrophobicContact CZ2-CB 4.15Å; W24-R54 WeakPolarHBondContact CZ2-O 3.41Å; W24-I56 HydrophobicContact CE3-CD1 4.24Å; W24-I56 HydrophobicContact CE3-CG1 4Å; W24-I56 HydrophobicContact CH2-CD1 3.26Å; W24-I56 HydrophobicContact CH2-CG1 3.44Å; W24-I56 VanDerWaalsContact CH2-CG1 3.44Å; W24-I56 HydrophobicContact CZ2-CD1 4.06Å; W24-I56 HydrophobicContact CZ2-CG1 3.75Å; W24-I56 HydrophobicContact CZ3-CD1 3.3Å; W24-I56 HydrophobicContact CZ3-CG1 3.5Å; W24-V201 HydrophobicContact CZ3-CB 4.07Å; W24-P202 HydrophobicContact CB-CG 4.05Å; W24-P202 HydrophobicContact CD2-CG 3.58Å; W24-P202 HydrophobicContact CE3-CB 4.39Å; W24-P202 HydrophobicContact CE3-CG 3.09Å; W24-P202 HydrophobicContact CG-CG 4.1Å; W24-P202 HydrophobicContact CH2-CG 4.11Å; W24-P202 HydrophobicContact CZ3-CB 4.22Å; W24-P202 HydrophobicContact CZ3-CG 3.32Å; W24-P202 WeakPolarHBondContact O-CD 3.2Å; W24-V207 HydrophobicContact CD2-CG1 4.45Å; W24-V207 HydrophobicContact CE3-CG1 4.42Å; W24-V207 HydrophobicContact CH2-CB 3.9Å; W24-V207 HydrophobicContact CH2-CG1 3.15Å; W24-V207 HydrophobicContact CH2-CG2 4.25Å; W24-V207 HydrophobicContact CZ2-CB 4.15Å; W24-V207 HydrophobicContact CZ2-CG1 3.46Å; W24-V207 VanDerWaalsContact CZ2-CG1 3.46Å; W24-V207 HydrophobicContact CZ3-CG1 3.76Å
25F85Confident82.1Confident4 Ų441.7 Ų41.72%0.01821%0.214CC..  trans-133.4160.1-172.975.4-85.9000112.2S23 I56 N99 I101 L200 V201S23-F25 PolarHBondContact O-N 3.49Å; F25-I56 HydrophobicContact CB-CG2 4.18Å; F25-I56 HydrophobicContact CD1-CB 4.28Å; F25-I56 HydrophobicContact CD1-CG1 4.36Å; F25-I56 HydrophobicContact CD1-CG2 3.99Å; F25-I56 HydrophobicContact CD2-CG2 3.68Å; F25-I56 HydrophobicContact CE1-CG2 4.33Å; F25-I56 HydrophobicContact CE2-CG2 4.01Å; F25-I56 HydrophobicContact CG-CB 4.41Å; F25-I56 HydrophobicContact CG-CG2 3.68Å; F25-I56 HydrophobicContact CZ-CG2 4.36Å; F25-N99 WeakPolarHBondContact CE2-O 3.39Å; F25-N99 WeakPolarHBondContact CZ-O 3.41Å; F25-N99 PolarHBondContact O-ND2 2.9Å; F25-N99 PolarHBondContact O-OD1 2.73Å; F25-I101 HydrophobicContact CD2-CD1 4.4Å; F25-I101 HydrophobicContact CD2-CG1 4.2Å; F25-I101 HydrophobicContact CE2-CG1 4.5Å; F25-L200 CarbonylContact C-O 3.5Å; F25-L200 WeakPolarHBondContact CA-O 3.22Å; F25-L200 VanDerWaalsContact CB-O 3.29Å; F25-L200 WeakPolarHBondContact CB-O 3.47Å; F25-V201 HydrophobicContact CB-CG1 4.32Å
26H90.9Very high82.5Confident59 Ų5938 Ų3827%0.27320%0.196SC..  trans-114.6132.4176.8-64.581.2000110.4S18 N99 L200S18-H26 PolarHBondContact OG-CD2 3.38Å; H26-N99 WeakPolarHBondContact CA-OD1 3.24Å; H26-L200 HydrophobicContact CB-CB 4.48Å; H26-L200 HydrophobicContact CB-CD2 3.67Å; H26-L200 PolarHBondContact N-O 3.03Å
27G94.4Very high82.9Confident0 Ų034.8 Ų34.80%019%0.187CC..  trans-62.1142.3175.500000111.7H14 N99 N100H14-G27 PolarHBondContact CE1-O 2.89Å; H14-G27 VanDerWaalsContact CE1-O 3.25Å; H14-G27 PolarHBondContact NE2-O 3.19Å; G27-N99 PolarHBondContact N-OD1 3.47Å; G27-N100 VanDerWaalsContact CA-O 3.22Å; G27-N100 WeakPolarHBondContact CA-O 3.34Å
28C97.7Very high83.4Confident0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-159.4174.7-178.761.20000110N100 I101 C102 P127 F129 L200C28-N100 PolarHBondContact N-O 3.37Å; C28-N100 VanDerWaalsContact N-O 3.14Å; C28-I101 CarbonylContact O-C 3.45Å; C28-I101 WeakPolarHBondContact O-CA 3.47Å; C28-C102 PolarHBondContact O-N 3.39Å; C28-P127 HydrophobicContact CB-CB 3.77Å; C28-P127 HydrophobicContact CB-CG 4.19Å; C28-P127 WeakPolarHBondContact CB-O 3.32Å; C28-F129 HydrophobicContact CB-CE2 4.4Å; C28-L200 HydrophobicContact CB-CD1 3.87Å
29T98.7Very high84.3Confident0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-112.7126.4172.8-660000110.7W31 A92 C102 T104 H121 P127 F128 F129T29-W31 HydrophobicContact CG2-CE3 4.01Å; T29-A92 HydrophobicContact CG2-CB 3.98Å; T29-A92 PolarHBondContact OG1-O 3.1Å; T29-C102 CarbonylContact C-O 3.55Å; T29-C102 WeakPolarHBondContact CA-O 3.21Å; T29-T104 HydrophobicContact CG2-CG2 4.16Å; T29-H121 WeakPolarHBondContact CB-NE2 3.49Å; T29-H121 PolarHBondContact OG1-CD2 2.9Å; T29-H121 PolarHBondContact OG1-NE2 3.31Å; T29-P127 PolarHBondContact N-O 3.32Å; T29-F128 HydrophobicContact CG2-CD2 3.79Å; T29-F128 HydrophobicContact CG2-CE2 3.81Å; T29-F128 WeakPolarHBondContact O-CA 3.49Å; T29-F129 PolarHBondContact O-N 2.97Å
30V98.7Very high86Confident0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-106.5109.6167.8-175.20000108F32 I101 C102 L103 T104 V131 M194 L195V30-F32 HydrophobicContact CG1-CE1 3.96Å; V30-F32 HydrophobicContact CG1-CE2 4.03Å; V30-F32 HydrophobicContact CG1-CZ 3.7Å; V30-I101 HydrophobicContact CG2-CG2 4.23Å; V30-C102 PolarHBondContact N-O 3.09Å; V30-L103 HydrophobicContact CB-CD2 3.66Å; V30-L103 HydrophobicContact CG1-CD2 4.41Å; V30-L103 HydrophobicContact CG2-CD2 3.87Å; V30-T104 PolarHBondContact O-N 3.1Å; V30-V131 HydrophobicContact CG1-CB 4.5Å; V30-V131 HydrophobicContact CG1-CG2 3.54Å; V30-M194 HydrophobicContact CG1-CE 4.42Å; V30-M194 HydrophobicContact CG2-CE 4.48Å; V30-L195 HydrophobicContact CG2-CD1 4.36Å; V30-L195 HydrophobicContact CG2-CD2 3.9Å
31W98.6Very high88Confident0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-98.395.7-174.8-162.1-73.2000111.3T29 T33 I85 V88 S89 A92 T104 S108 A117 F128 F129 V131T29-W31 HydrophobicContact CG2-CE3 4.01Å; W31-T33 PolarHBondContact O-N 3.15Å; W31-I85 HydrophobicContact CH2-CG2 3.93Å; W31-I85 HydrophobicContact CZ2-CD1 4.24Å; W31-I85 HydrophobicContact CZ2-CG2 3.71Å; W31-V88 HydrophobicContact CH2-CB 4.26Å; W31-V88 HydrophobicContact CH2-CG1 3.73Å; W31-V88 HydrophobicContact CZ3-CG1 4.09Å; W31-S89 WeakPolarHBondContact CH2-OG 3.44Å; W31-A92 HydrophobicContact CZ3-CB 4.49Å; W31-T104 WeakPolarHBondContact CA-OG1 3.47Å; W31-T104 HydrophobicContact CD2-CG2 4.38Å; W31-T104 HydrophobicContact CE3-CG2 3.77Å; W31-T104 HydrophobicContact CZ3-CG2 3.99Å; W31-S108 WeakPolarHBondContact CZ2-OG 3.33Å; W31-S108 PolarHBondContact NE1-OG 3.22Å; W31-A117 HydrophobicContact CE3-CB 4.37Å; W31-A117 HydrophobicContact CH2-CB 4.29Å; W31-A117 HydrophobicContact CZ3-CB 4.11Å; W31-F128 HydrophobicContact CB-CE1 4.1Å; W31-F128 HydrophobicContact CB-CE2 3.98Å; W31-F128 HydrophobicContact CB-CZ 3.49Å; W31-F128 VanDerWaalsContact CB-CZ 3.49Å; W31-F128 HydrophobicContact CD2-CE2 4.12Å; W31-F128 AromaticContact CD2-CZ 3.92Å; W31-F128 HydrophobicContact CD2-CZ 3.92Å; W31-F128 AromaticContact CE3-CE2 3.62Å; W31-F128 HydrophobicContact CE3-CE2 3.62Å; W31-F128 AromaticContact CE3-CZ 3.91Å; W31-F128 HydrophobicContact CE3-CZ 3.91Å; W31-F128 HydrophobicContact CG-CE2 4.31Å; W31-F128 AromaticContact CG-CZ 3.77Å; W31-F128 HydrophobicContact CG-CZ 3.77Å; W31-F128 HydrophobicContact CZ3-CE2 4.44Å; W31-F129 PolarHBondContact N-O 2.85Å; W31-V131 PolarHBondContact O-N 3.01Å
32F98.4Very high90Very high0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans-75.9119.5173.8-58.3-71.8000110.4V30 K40 L43 A44 L47 L103 T104 F106 V131 L133V30-F32 HydrophobicContact CG1-CE1 3.96Å; V30-F32 HydrophobicContact CG1-CE2 4.03Å; V30-F32 HydrophobicContact CG1-CZ 3.7Å; F32-K40 HydrophobicContact CB-CB 4.31Å; F32-K40 HydrophobicContact CB-CG 4.32Å; F32-L43 HydrophobicContact CD1-CD2 4.04Å; F32-L43 HydrophobicContact CE1-CD2 3.63Å; F32-L43 HydrophobicContact CE1-CG 3.97Å; F32-L43 HydrophobicContact CZ-CD2 4.33Å; F32-L43 HydrophobicContact CZ-CG 4.17Å; F32-A44 HydrophobicContact CD2-CB 3.85Å; F32-A44 HydrophobicContact CE2-CB 3.83Å; F32-L47 HydrophobicContact CE2-CD2 4.39Å; F32-L47 HydrophobicContact CZ-CD2 3.75Å; F32-L103 HydrophobicContact CE2-CB 4.21Å; F32-L103 HydrophobicContact CE2-CD2 4.29Å; F32-T104 WeakPolarHBondContact CA-O 3.44Å; F32-T104 VanDerWaalsContact CB-O 3.27Å; F32-T104 WeakPolarHBondContact CB-O 3.26Å; F32-T104 WeakPolarHBondContact CD2-O 3.39Å; F32-T104 PolarHBondContact N-O 3.04Å; F32-F106 PolarHBondContact O-N 3.12Å; F32-V131 WeakPolarHBondContact CA-O 3.36Å; F32-V131 HydrophobicContact CD1-CB 3.65Å; F32-V131 HydrophobicContact CD1-CG1 3.72Å; F32-V131 HydrophobicContact CD1-CG2 4.32Å; F32-V131 HydrophobicContact CE1-CB 3.95Å; F32-V131 HydrophobicContact CE1-CG1 3.84Å; F32-V131 HydrophobicContact CE1-CG2 4.19Å; F32-L133 HydrophobicContact CB-CD1 4.11Å; F32-L133 HydrophobicContact CD1-CD1 3.74Å; F32-L133 HydrophobicContact CG-CD1 4.38Å
33T97.3Very high92Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-121.9151.1176.3-171.80000111W31 I107 E130 V131 F132 L133 Y167 P170W31-T33 PolarHBondContact O-N 3.15Å; T33-I107 PolarHBondContact OG1-O 3.25Å; T33-I107 VanDerWaalsContact OG1-O 3.06Å; T33-E130 HydrophobicContact CG2-CG 4.09Å; T33-V131 PolarHBondContact N-O 3.45Å; T33-F132 HydrophobicContact CG2-CB 4.33Å; T33-F132 HydrophobicContact CG2-CD2 4.28Å; T33-L133 PolarHBondContact O-N 3.46Å; T33-Y167 PolarHBondContact OG1-OH 2.96Å; T33-P170 HydrophobicContact CG2-CG 3.62Å
34G95.6Very high93.9Very high0 Ų019 Ų190%011%0.108CC..  trans154.9168.1-175.200000113.2K40 Y167G34-K40 PolarHBondContact O-NZ 3.12Å; G34-Y167 VanDerWaalsContact CA-OH 3.22Å; G34-Y167 WeakPolarHBondContact CA-OH 3.3Å; G34-Y167 PolarHBondContact N-OH 2.88Å; G34-Y167 VanDerWaalsContact N-OH 3.09Å
35L94.7Very high95.1Very high21 Ų2118.2 Ų18.211%0.1111%0.107CC..  trans-59.8158.7177.9-64176.9000112.7A38 K40 I137 T161 Y167L35-A38 WeakPolarHBondContact O-CB 3.44Å; L35-A38 PolarHBondContact O-N 3.26Å; L35-K40 PolarHBondContact O-NZ 3.19Å; L35-I137 HydrophobicContact CD1-CB 3.79Å; L35-I137 HydrophobicContact CD1-CD1 4.39Å; L35-I137 HydrophobicContact CD1-CG1 4.06Å; L35-T161 HydrophobicContact CD2-CG2 4.4Å; L35-Y167 HydrophobicContact CD2-CD1 4.1Å; L35-Y167 HydrophobicContact CD2-CD2 4.06Å; L35-Y167 HydrophobicContact CD2-CG 3.68Å
36S92.6Very high95.3Very high23 Ų2319.3 Ų19.316%0.16112%0.117CC..THydrogen-bonded Turntrans-55.7143.1169.4-169.10000109.8A38 C140 Y149S36-A38 PolarHBondContact O-N 3.02Å; S36-A38 VanDerWaalsContact O-N 3.13Å; S36-C140 VanDerWaalsContact O-CB 3.29Å; S36-C140 WeakPolarHBondContact O-CB 3.3Å; S36-Y149 WeakPolarHBondContact O-CE2 3.41Å; S36-Y149 PolarHBondContact O-OH 2.99Å
37G92.5Very high95.5Very high25 Ų2516.5 Ų16.526%0.25810%0.104SC..THydrogen-bonded Turntrans73.2-3.4-177.100000116.3G39G37-G39 PolarHBondContact O-N 3.29Å; G37-G39 VanDerWaalsContact O-N 3.1Å
38A94.9Very high95.5Very high0 Ų018.4 Ų18.40%011%0.113CC..SBendtrans-67.8-5176.600000114.7L35 S36 L133 T135 T179L35-A38 WeakPolarHBondContact O-CB 3.44Å; L35-A38 PolarHBondContact O-N 3.26Å; S36-A38 PolarHBondContact O-N 3.02Å; S36-A38 VanDerWaalsContact O-N 3.13Å; A38-L133 HydrophobicContact CB-CB 4.13Å; A38-L133 WeakPolarHBondContact O-CD2 3.17Å; A38-T135 PolarHBondContact O-OG1 2.7Å; A38-T179 VanDerWaalsContact O-CG2 3.23Å; A38-T179 WeakPolarHBondContact O-CG2 3.16Å; A38-T179 PolarHBondContact O-OG1 3.47Å
39G94.3Very high95Very high17 Ų1724.1 Ų24.118%0.17513%0.134CC..SBendtrans95.19.4177.600000116.3G37 T41 T42 L43G37-G39 PolarHBondContact O-N 3.29Å; G37-G39 VanDerWaalsContact O-N 3.1Å; G39-T41 PolarHBondContact O-N 3.47Å; G39-T42 PolarHBondContact O-N 3.38Å; G39-L43 WeakPolarHBondContact O-CB 3.36Å; G39-L43 PolarHBondContact O-N 3.31Å
40K96.2Very high94.3Very high14 Ų1424.7 Ų24.76%0.06114%0.137CC..Hα-helixtrans-53.7-56.7-176.9-63-176.7-62-72.10113.9F32 G34 L35 T42 L43 A44 F106 L133F32-K40 HydrophobicContact CB-CB 4.31Å; F32-K40 HydrophobicContact CB-CG 4.32Å; G34-K40 PolarHBondContact O-NZ 3.12Å; L35-K40 PolarHBondContact O-NZ 3.19Å; K40-T42 VanDerWaalsContact C-N 3.34Å; K40-T42 PolarHBondContact O-N 3.18Å; K40-L43 PolarHBondContact O-N 3.25Å; K40-A44 WeakPolarHBondContact O-CB 3.14Å; K40-A44 PolarHBondContact O-N 3.19Å; K40-F106 WeakPolarHBondContact CD-O 3.45Å; K40-F106 WeakPolarHBondContact CE-O 3.23Å; K40-L133 HydrophobicContact CB-CD2 4.3Å; K40-L133 HydrophobicContact CG-CD1 4.39Å; K40-L133 HydrophobicContact CG-CD2 3.84Å; K40-L133 HydrophobicContact CG-CG 4.49Å
41T95Very high93.8Very high49 Ų4924.8 Ų24.830%0.30114%0.137SC..Hα-helixtrans-61.2-43.3-178.3-56.20000111.3G39 L43 A44 F45 D62G39-T41 PolarHBondContact O-N 3.47Å; T41-L43 PolarHBondContact O-N 3.16Å; T41-A44 PolarHBondContact O-N 2.88Å; T41-F45 HydrophobicContact CG2-CD2 3.59Å; T41-F45 HydrophobicContact CG2-CE2 3.49Å; T41-F45 VanDerWaalsContact CG2-CE2 3.49Å; T41-F45 VanDerWaalsContact O-CD2 3.26Å; T41-F45 WeakPolarHBondContact O-CD2 3.41Å; T41-F45 PolarHBondContact O-N 2.95Å; T41-D62 WeakPolarHBondContact CB-OD2 3.43Å; T41-D62 WeakPolarHBondContact CG2-OD2 2.98Å; T41-D62 PolarHBondContact OG1-OD2 3.44Å
42T93.2Very high93.2Very high85 Ų8528.2 Ų28.252%0.52116%0.159SC..Hα-helixtrans-59.5-46.9176.5-53.20000111.6G39 K40 A46 V184G39-T42 PolarHBondContact O-N 3.38Å; K40-T42 VanDerWaalsContact C-N 3.34Å; K40-T42 PolarHBondContact O-N 3.18Å; T42-A46 VanDerWaalsContact O-CB 3.29Å; T42-A46 WeakPolarHBondContact O-CB 3.24Å; T42-A46 PolarHBondContact O-N 3Å; T42-V184 HydrophobicContact CG2-CG1 4.46Å; T42-V184 HydrophobicContact CG2-CG2 3.89Å
43L95.7Very high92.1Very high3 Ų330.6 Ų30.62%0.01617%0.171CC..Hα-helixtrans-66.3-43.3177.7178.557.1000112F32 G39 K40 T41 F45 A46 L47 L133 L177 C187 V188F32-L43 HydrophobicContact CD1-CD2 4.04Å; F32-L43 HydrophobicContact CE1-CD2 3.63Å; F32-L43 HydrophobicContact CE1-CG 3.97Å; F32-L43 HydrophobicContact CZ-CD2 4.33Å; F32-L43 HydrophobicContact CZ-CG 4.17Å; G39-L43 WeakPolarHBondContact O-CB 3.36Å; G39-L43 PolarHBondContact O-N 3.31Å; K40-L43 PolarHBondContact O-N 3.25Å; T41-L43 PolarHBondContact O-N 3.16Å; L43-F45 PolarHBondContact O-N 3.25Å; L43-A46 PolarHBondContact O-N 2.97Å; L43-L47 WeakPolarHBondContact O-CB 3.39Å; L43-L47 PolarHBondContact O-N 3.33Å; L43-L133 HydrophobicContact CD2-CD1 4.26Å; L43-L133 HydrophobicContact CD2-CD2 4.28Å; L43-L133 HydrophobicContact CD2-CG 4.5Å; L43-L177 HydrophobicContact CD2-CD1 3.57Å; L43-C187 HydrophobicContact CD1-CB 3.54Å; L43-C187 HydrophobicContact CD2-CB 3.99Å; L43-C187 HydrophobicContact CG-CB 4.4Å; L43-V188 HydrophobicContact CD1-CG2 3.69Å
44A97.3Very high91.1Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-60-47.9-179.800000111.7F32 K40 T41 L47 E48 V60 L103F32-A44 HydrophobicContact CD2-CB 3.85Å; F32-A44 HydrophobicContact CE2-CB 3.83Å; K40-A44 WeakPolarHBondContact O-CB 3.14Å; K40-A44 PolarHBondContact O-N 3.19Å; T41-A44 PolarHBondContact O-N 2.88Å; A44-L47 PolarHBondContact O-N 3.25Å; A44-E48 WeakPolarHBondContact O-CB 3.47Å; A44-E48 PolarHBondContact O-N 2.81Å; A44-V60 HydrophobicContact CB-CG1 3.95Å; A44-V60 HydrophobicContact CB-CG2 4.03Å; A44-V60 WeakPolarHBondContact O-CG2 3.47Å; A44-L103 HydrophobicContact CB-CB 4.48Å; A44-L103 WeakPolarHBondContact O-CD1 3.33Å
45F94.9Very high90.1Very high83 Ų8333.6 Ų33.636%0.36420%0.197SC..Hα-helixtrans-68.8-33.5176.3-77.4-63.3000113.3T41 L43 E48 R49 V60T41-F45 HydrophobicContact CG2-CD2 3.59Å; T41-F45 HydrophobicContact CG2-CE2 3.49Å; T41-F45 VanDerWaalsContact CG2-CE2 3.49Å; T41-F45 VanDerWaalsContact O-CD2 3.26Å; T41-F45 WeakPolarHBondContact O-CD2 3.41Å; T41-F45 PolarHBondContact O-N 2.95Å; L43-F45 PolarHBondContact O-N 3.25Å; F45-E48 WeakPolarHBondContact CD1-OE2 3.22Å; F45-R49 WeakPolarHBondContact O-CB 3.31Å; F45-R49 PolarHBondContact O-N 2.81Å; F45-V60 HydrophobicContact CD1-CB 4.18Å; F45-V60 HydrophobicContact CD1-CG1 4.49Å; F45-V60 HydrophobicContact CD1-CG2 3.91Å; F45-V60 HydrophobicContact CE1-CB 3.87Å; F45-V60 HydrophobicContact CE1-CG1 4.14Å; F45-V60 HydrophobicContact CE1-CG2 4.12Å; F45-V60 HydrophobicContact CE2-CG1 4.32Å; F45-V60 HydrophobicContact CG-CG2 4.38Å; F45-V60 HydrophobicContact CZ-CB 4.26Å; F45-V60 HydrophobicContact CZ-CG1 4.04Å
46A90.8Very high89.5Confident26 Ų2632.8 Ų32.822%0.21519%0.192CC..Hα-helixtrans-66.3-42.2174.200000111.7T42 L43 H50 V184 V188T42-A46 VanDerWaalsContact O-CB 3.29Å; T42-A46 WeakPolarHBondContact O-CB 3.24Å; T42-A46 PolarHBondContact O-N 3Å; L43-A46 PolarHBondContact O-N 2.97Å; A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.45Å; A46-V184 HydrophobicContact CB-CG1 3.43Å; A46-V184 VanDerWaalsContact CB-CG1 3.43Å; A46-V188 HydrophobicContact CB-CG2 3.76Å
47L94Very high89.4Confident0 Ų034.1 Ų34.10%020%0.202CC..Hα-helixtrans-67.5-42175.1-179.561.4000111.5F32 L43 A44 R49 H50 L51 L103 V188 C191 V192F32-L47 HydrophobicContact CE2-CD2 4.39Å; F32-L47 HydrophobicContact CZ-CD2 3.75Å; L43-L47 WeakPolarHBondContact O-CB 3.39Å; L43-L47 PolarHBondContact O-N 3.33Å; A44-L47 PolarHBondContact O-N 3.25Å; L47-R49 PolarHBondContact O-N 3.03Å; L47-H50 WeakPolarHBondContact O-CB 3.26Å; L47-H50 PolarHBondContact O-N 3.22Å; L47-H50 VanDerWaalsContact O-N 3.16Å; L47-L51 HydrophobicContact CD1-CD1 4.05Å; L47-L51 HydrophobicContact CD1-CD2 4.38Å; L47-L51 HydrophobicContact CD1-CG 3.98Å; L47-L51 HydrophobicContact CG-CD1 3.87Å; L47-L51 HydrophobicContact CG-CG 4.25Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.49Å; L47-L51 PolarHBondContact O-N 3.15Å; L47-L103 HydrophobicContact CB-CD1 4.04Å; L47-L103 HydrophobicContact CD2-CD1 4.12Å; L47-L103 HydrophobicContact CD2-CD2 3.68Å; L47-L103 HydrophobicContact CG-CD1 3.96Å; L47-L103 HydrophobicContact CG-CD2 4.32Å; L47-V188 HydrophobicContact CB-CG2 4.33Å; L47-V188 HydrophobicContact CD1-CG1 4.05Å; L47-C191 HydrophobicContact CD1-CB 4.18Å; L47-C191 HydrophobicContact CD2-CB 3.81Å; L47-V192 HydrophobicContact CD1-CG2 3.69Å
48E94.6Very high89.5Confident41 Ų4133.4 Ų33.419%0.19219%0.193CC..Hα-helixtrans-55.1-52.9173.8-174.3-173.3-115.500110.8A44 F45 H50 L51 V52 A58 Y59 V60 L103A44-E48 WeakPolarHBondContact O-CB 3.47Å; A44-E48 PolarHBondContact O-N 2.81Å; F45-E48 WeakPolarHBondContact CD1-OE2 3.22Å; E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 3.04Å; E48-L51 PolarHBondContact O-N 3.11Å; E48-V52 HydrophobicContact CG-CG2 4.2Å; E48-V52 WeakPolarHBondContact O-CB 3.4Å; E48-V52 VanDerWaalsContact O-CG2 3.29Å; E48-V52 WeakPolarHBondContact O-CG2 3.26Å; E48-V52 PolarHBondContact O-N 3.12Å; E48-A58 HydrophobicContact CG-CB 4.39Å; E48-Y59 WeakPolarHBondContact OE1-CA 3.47Å; E48-V60 HydrophobicContact CB-CG2 3.72Å; E48-V60 HydrophobicContact CG-CG2 4.13Å; E48-V60 WeakPolarHBondContact OE1-CG2 3.32Å; E48-V60 PolarHBondContact OE1-N 3.1Å; E48-L103 HydrophobicContact CB-CD1 3.88Å
49R87.1Confident89.6Confident119 Ų11939.2 Ų39.245%0.44922%0.216SC..Hα-helixtrans-56.7-43.3176.6-178.5179.3-68-171.4-2111.4F45 L47 N53F45-R49 WeakPolarHBondContact O-CB 3.31Å; F45-R49 PolarHBondContact O-N 2.81Å; L47-R49 PolarHBondContact O-N 3.03Å; R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.28Å; R49-N53 PolarHBondContact O-ND2 2.86Å
50H84.7Confident89.8Confident13 Ų1338.8 Ų38.86%0.0621%0.21CC..Hα-helixtrans-60.8-46.1179.2-177.6104.6000112.7A46 L47 E48 R54 V188 V192A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.45Å; L47-H50 WeakPolarHBondContact O-CB 3.26Å; L47-H50 PolarHBondContact O-N 3.22Å; L47-H50 VanDerWaalsContact O-N 3.16Å; E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 3.04Å; H50-R54 PolarHBondContact CE1-NH1 3.47Å; H50-R54 PolarHBondContact CE1-NH2 2.75Å; H50-R54 PolarHBondContact NE2-NE 3.37Å; H50-R54 PolarHBondContact NE2-NH1 3.3Å; H50-R54 PolarHBondContact NE2-NH2 2.84Å; H50-R54 VanDerWaalsContact NE2-NH2 3.17Å; H50-R54 WeakPolarHBondContact O-CD 3.21Å; H50-R54 PolarHBondContact O-NH1 2.96Å; H50-V188 HydrophobicContact CB-CG1 3.74Å; H50-V188 WeakPolarHBondContact ND1-CG1 3.44Å; H50-V192 WeakPolarHBondContact NE2-CG2 3.45Å
51L87.9Confident89.9Confident1 Ų138.3 Ų38.31%0.00521%0.208CC..Hα-helixtrans-70.3-49.3-179.9-66.6172.2000111.2L47 E48 N53 R54 G55 I56 A58 I101 L103L47-L51 HydrophobicContact CD1-CD1 4.05Å; L47-L51 HydrophobicContact CD1-CD2 4.38Å; L47-L51 HydrophobicContact CD1-CG 3.98Å; L47-L51 HydrophobicContact CG-CD1 3.87Å; L47-L51 HydrophobicContact CG-CG 4.25Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.49Å; L47-L51 PolarHBondContact O-N 3.15Å; E48-L51 PolarHBondContact O-N 3.11Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.3Å; L51-R54 CarbonylContact O-C 3.47Å; L51-R54 WeakPolarHBondContact O-CA 3.35Å; L51-R54 WeakPolarHBondContact O-CB 3.26Å; L51-R54 PolarHBondContact O-N 3.36Å; L51-G55 PolarHBondContact O-N 2.65Å; L51-I56 CarbonylContact C-O 3.57Å; L51-I56 HydrophobicContact CB-CB 3.99Å; L51-I56 HydrophobicContact CB-CD1 4.44Å; L51-I56 HydrophobicContact CB-CG2 4.16Å; L51-I56 HydrophobicContact CD2-CB 4.46Å; L51-I56 HydrophobicContact CD2-CD1 3.58Å; L51-I56 HydrophobicContact CD2-CG2 4.25Å; L51-I56 WeakPolarHBondContact O-CB 3.21Å; L51-I56 PolarHBondContact O-N 3.45Å; L51-A58 HydrophobicContact CB-CB 3.83Å; L51-A58 HydrophobicContact CD1-CB 3.69Å; L51-A58 HydrophobicContact CG-CB 4.43Å; L51-I101 HydrophobicContact CD1-CB 4.22Å; L51-I101 HydrophobicContact CD1-CD1 4.15Å; L51-I101 HydrophobicContact CD1-CG2 3.88Å; L51-I101 HydrophobicContact CD2-CD1 4.38Å; L51-L103 HydrophobicContact CD1-CD1 4.46Å
52V86Confident89.9Confident73 Ų7336.4 Ų36.444%0.44220%0.196SC..Hα-helixtrans-61.7-40.6-179.2171.40000111.4E48 R54 G55 I56 A58E48-V52 HydrophobicContact CG-CG2 4.2Å; E48-V52 WeakPolarHBondContact O-CB 3.4Å; E48-V52 VanDerWaalsContact O-CG2 3.29Å; E48-V52 WeakPolarHBondContact O-CG2 3.26Å; E48-V52 PolarHBondContact O-N 3.12Å; V52-R54 PolarHBondContact O-N 3.05Å; V52-R54 VanDerWaalsContact O-N 3.16Å; V52-G55 PolarHBondContact O-N 2.88Å; V52-I56 WeakPolarHBondContact CA-O 3.38Å; V52-I56 PolarHBondContact N-O 2.96Å; V52-A58 HydrophobicContact CG2-CB 4.32Å
53N74.3Confident89.8Confident50 Ų5032.9 Ų32.927%0.26718%0.177SC..Hα-helixtrans-60.6-24.8174.4-74.2-15.8000112.6R49 L51 G55 G211 Q503R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.28Å; R49-N53 PolarHBondContact O-ND2 2.86Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.3Å; N53-G55 VanDerWaalsContact C-N 3.34Å; N53-G211 WeakPolarHBondContact O-CA 3.42Å; N53-Q503 PolarHBondContact ND2-NE2 3.45Å
54R76Confident89.5Confident16 Ų1637 Ų376%0.0620%0.199CC..THydrogen-bonded Turntrans-90.16.4175.3-70.9164.5171.263.2-6.2113.8W24 H50 L51 V52 I56 P209W24-R54 HydrophobicContact CH2-CB 4.33Å; W24-R54 HydrophobicContact CZ2-CB 4.15Å; W24-R54 WeakPolarHBondContact CZ2-O 3.41Å; H50-R54 PolarHBondContact CE1-NH1 3.47Å; H50-R54 PolarHBondContact CE1-NH2 2.75Å; H50-R54 PolarHBondContact NE2-NE 3.37Å; H50-R54 PolarHBondContact NE2-NH1 3.3Å; H50-R54 PolarHBondContact NE2-NH2 2.84Å; H50-R54 VanDerWaalsContact NE2-NH2 3.17Å; H50-R54 WeakPolarHBondContact O-CD 3.21Å; H50-R54 PolarHBondContact O-NH1 2.96Å; L51-R54 CarbonylContact O-C 3.47Å; L51-R54 WeakPolarHBondContact O-CA 3.35Å; L51-R54 WeakPolarHBondContact O-CB 3.26Å; L51-R54 PolarHBondContact O-N 3.36Å; V52-R54 PolarHBondContact O-N 3.05Å; V52-R54 VanDerWaalsContact O-N 3.16Å; R54-I56 VanDerWaalsContact C-N 3.25Å; R54-I56 HydrophobicContact CB-CD1 4.24Å; R54-I56 HydrophobicContact CB-CG1 4.26Å; R54-P209 VanDerWaalsContact CZ-C 3.42Å; R54-P209 PolarHBondContact NH1-O 2.84Å; R54-P209 PolarHBondContact NH2-O 2.86Å
55G74.7Confident89.2Confident46 Ų4641.6 Ų41.647%0.47422%0.224SC..THydrogen-bonded Turntrans74.815-176.400000113.6L51 V52 N53L51-G55 PolarHBondContact O-N 2.65Å; V52-G55 PolarHBondContact O-N 2.88Å; N53-G55 VanDerWaalsContact C-N 3.34Å
56I83.9Confident89.2Confident4 Ų439 Ų392%0.02121%0.213CC..  trans-90.8123.2174.2-55.8169.3000107.9W24 F25 L51 V52 R54 A58 I101 V201W24-I56 HydrophobicContact CE3-CD1 4.24Å; W24-I56 HydrophobicContact CE3-CG1 4Å; W24-I56 HydrophobicContact CH2-CD1 3.26Å; W24-I56 HydrophobicContact CH2-CG1 3.44Å; W24-I56 VanDerWaalsContact CH2-CG1 3.44Å; W24-I56 HydrophobicContact CZ2-CD1 4.06Å; W24-I56 HydrophobicContact CZ2-CG1 3.75Å; W24-I56 HydrophobicContact CZ3-CD1 3.3Å; W24-I56 HydrophobicContact CZ3-CG1 3.5Å; F25-I56 HydrophobicContact CB-CG2 4.18Å; F25-I56 HydrophobicContact CD1-CB 4.28Å; F25-I56 HydrophobicContact CD1-CG1 4.36Å; F25-I56 HydrophobicContact CD1-CG2 3.99Å; F25-I56 HydrophobicContact CD2-CG2 3.68Å; F25-I56 HydrophobicContact CE1-CG2 4.33Å; F25-I56 HydrophobicContact CE2-CG2 4.01Å; F25-I56 HydrophobicContact CG-CB 4.41Å; F25-I56 HydrophobicContact CG-CG2 3.68Å; F25-I56 HydrophobicContact CZ-CG2 4.36Å; L51-I56 CarbonylContact C-O 3.57Å; L51-I56 HydrophobicContact CB-CB 3.99Å; L51-I56 HydrophobicContact CB-CD1 4.44Å; L51-I56 HydrophobicContact CB-CG2 4.16Å; L51-I56 HydrophobicContact CD2-CB 4.46Å; L51-I56 HydrophobicContact CD2-CD1 3.58Å; L51-I56 HydrophobicContact CD2-CG2 4.25Å; L51-I56 WeakPolarHBondContact O-CB 3.21Å; L51-I56 PolarHBondContact O-N 3.45Å; V52-I56 WeakPolarHBondContact CA-O 3.38Å; V52-I56 PolarHBondContact N-O 2.96Å; R54-I56 VanDerWaalsContact C-N 3.25Å; R54-I56 HydrophobicContact CB-CD1 4.24Å; R54-I56 HydrophobicContact CB-CG1 4.26Å; I56-A58 PolarHBondContact O-N 3.1Å; I56-I101 HydrophobicContact CG2-CD1 3.54Å; I56-I101 HydrophobicContact CG2-CG1 4.08Å; I56-V201 HydrophobicContact CD1-CB 4.37Å; I56-V201 HydrophobicContact CD1-CG1 3.97Å
57S89.6Confident89.3Confident52 Ų5240 Ų4036%0.36421%0.212SC..  trans-71.6114.7179-156.50000109.9N100 I101S57-N100 WeakPolarHBondContact CB-OD1 3.24Å; S57-N100 WeakPolarHBondContact O-CA 3.34Å; S57-N100 PolarHBondContact OG-OD1 3.44Å; S57-I101 PolarHBondContact O-N 3.31Å
58A94.7Very high89.2Confident9 Ų944.4 Ų44.47%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-134.8149.6178.200000110.1E48 L51 V52 I56 I101E48-A58 HydrophobicContact CG-CB 4.39Å; L51-A58 HydrophobicContact CB-CB 3.83Å; L51-A58 HydrophobicContact CD1-CB 3.69Å; L51-A58 HydrophobicContact CG-CB 4.43Å; V52-A58 HydrophobicContact CG2-CB 4.32Å; I56-A58 PolarHBondContact O-N 3.1Å; A58-I101 VanDerWaalsContact CA-O 3.22Å; A58-I101 WeakPolarHBondContact CA-O 3.23Å; A58-I101 HydrophobicContact CB-CB 4.16Å
59Y97.8Very high89.1Confident122 Ų12244.2 Ų44.248%0.47825%0.251SS..EExtended strand (participates in β ladder)trans-147133.7-179.4-164.7-87.4000111.5E48 L61 F95 I101 L103E48-Y59 WeakPolarHBondContact OE1-CA 3.47Å; Y59-L61 HydrophobicContact CD1-CD2 3.97Å; Y59-L61 HydrophobicContact CE1-CD2 4.1Å; Y59-F95 HydrophobicContact CD1-CE1 4.25Å; Y59-F95 HydrophobicContact CD1-CE2 4.49Å; Y59-F95 AromaticContact CD1-CZ 4Å; Y59-F95 HydrophobicContact CD1-CZ 4Å; Y59-F95 HydrophobicContact CE1-CZ 4.36Å; Y59-F95 HydrophobicContact CG-CE1 4.1Å; Y59-F95 HydrophobicContact CG-CZ 4.29Å; Y59-I101 PolarHBondContact N-O 3.34Å; Y59-I101 VanDerWaalsContact N-O 3.07Å; Y59-L103 PolarHBondContact O-N 2.84Å
60V98.4Very high89.4Confident8 Ų842.8 Ų42.85%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-89.5123178.4179.50000112.2A44 F45 E48 D62 L103A44-V60 HydrophobicContact CB-CG1 3.95Å; A44-V60 HydrophobicContact CB-CG2 4.03Å; A44-V60 WeakPolarHBondContact O-CG2 3.47Å; F45-V60 HydrophobicContact CD1-CB 4.18Å; F45-V60 HydrophobicContact CD1-CG1 4.49Å; F45-V60 HydrophobicContact CD1-CG2 3.91Å; F45-V60 HydrophobicContact CE1-CB 3.87Å; F45-V60 HydrophobicContact CE1-CG1 4.14Å; F45-V60 HydrophobicContact CE1-CG2 4.12Å; F45-V60 HydrophobicContact CE2-CG1 4.32Å; F45-V60 HydrophobicContact CG-CG2 4.38Å; F45-V60 HydrophobicContact CZ-CB 4.26Å; F45-V60 HydrophobicContact CZ-CG1 4.04Å; E48-V60 HydrophobicContact CB-CG2 3.72Å; E48-V60 HydrophobicContact CG-CG2 4.13Å; E48-V60 WeakPolarHBondContact OE1-CG2 3.32Å; E48-V60 PolarHBondContact OE1-N 3.1Å; V60-D62 HydrophobicContact CG1-CB 4.19Å; V60-L103 CarbonylContact C-O 3.46Å; V60-L103 VanDerWaalsContact CA-O 3.26Å; V60-L103 WeakPolarHBondContact CA-O 3.26Å; V60-L103 HydrophobicContact CG2-CB 4.03Å; V60-L103 HydrophobicContact CG2-CD1 4.16Å
61L97.8Very high90Very high4 Ų442.2 Ų42.22%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-93.296.9163.2-55.1-175.7000108.7Y59 I66 V88 V91 A92 F95 C102 L103 T104 S105 F106Y59-L61 HydrophobicContact CD1-CD2 3.97Å; Y59-L61 HydrophobicContact CE1-CD2 4.1Å; L61-I66 HydrophobicContact CB-CG1 4.43Å; L61-I66 HydrophobicContact CD2-CD1 4.22Å; L61-V88 HydrophobicContact CD1-CG1 4.23Å; L61-V91 HydrophobicContact CD1-CB 4.19Å; L61-V91 HydrophobicContact CD1-CG1 3.78Å; L61-V91 HydrophobicContact CD2-CG1 4.05Å; L61-A92 HydrophobicContact CD1-CB 4.06Å; L61-F95 HydrophobicContact CD2-CD2 4.3Å; L61-F95 HydrophobicContact CD2-CE2 3.92Å; L61-C102 WeakPolarHBondContact CD1-SG 3.45Å; L61-L103 PolarHBondContact N-O 2.84Å; L61-T104 HydrophobicContact CB-CG2 4.35Å; L61-T104 HydrophobicContact CD1-CG2 4.26Å; L61-T104 WeakPolarHBondContact O-CA 3.4Å; L61-S105 PolarHBondContact O-N 2.94Å; L61-F106 HydrophobicContact CB-CE2 4.11Å; L61-F106 WeakPolarHBondContact O-CE2 3.47Å
62D95.1Very high90.3Very high10 Ų1050 Ų505%0.05328%0.283CS..EExtended strand (participates in β ladder)trans-93.6139177-175.4-90.7000112.5T41 V60 D64 N65 I66 S105T41-D62 WeakPolarHBondContact CB-OD2 3.43Å; T41-D62 WeakPolarHBondContact CG2-OD2 2.98Å; T41-D62 PolarHBondContact OG1-OD2 3.44Å; V60-D62 HydrophobicContact CG1-CB 4.19Å; D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 2.68Å; D62-D64 PolarHBondContact OD1-N 3.16Å; D62-N65 HydrophobicContact CB-CB 4.32Å; D62-N65 PolarHBondContact O-N 3.08Å; D62-I66 WeakPolarHBondContact O-CB 3.33Å; D62-I66 VanDerWaalsContact O-CG1 3.26Å; D62-I66 WeakPolarHBondContact O-CG1 3.35Å; D62-I66 PolarHBondContact O-N 2.97Å; D62-S105 VanDerWaalsContact CA-OG 3.3Å; D62-S105 WeakPolarHBondContact CA-OG 3.32Å; D62-S105 PolarHBondContact OD2-OG 3.29Å
63G90.9Very high90.8Very high11 Ų1151.3 Ų51.311%0.11329%0.288CS..Hα-helixtrans-59.4-37.4-176.100000114.7R67G63-R67 VanDerWaalsContact O-CB 3.25Å; G63-R67 WeakPolarHBondContact O-CB 3.3Å; G63-R67 WeakPolarHBondContact O-CG 3.47Å; G63-R67 PolarHBondContact O-N 2.89Å
64D88.7Confident91.7Very high89 Ų8949.9 Ų49.948%0.47628%0.28SS..Hα-helixtrans-72.8-43.2179.4-69-12.5000110.5D62 R67 S68 K146D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 2.68Å; D62-D64 PolarHBondContact OD1-N 3.16Å; D64-R67 PolarHBondContact O-N 3.23Å; D64-S68 PolarHBondContact O-N 3.34Å; D64-S68 VanDerWaalsContact O-N 3.13Å; D64-K146 IonicContact OD1-NZ 3.86Å; D64-K146 IonicContact OD2-NZ 3.89Å; D64-K146 PolarHBondContact OD2-NZ 3.12Å
65N91.8Very high92.2Very high97 Ų9750.5 Ų50.552%0.51929%0.291SS..Hα-helixtrans-62.6-46.3177.9-70.2-17.6000111.2D62 R67 S68 G69D62-N65 HydrophobicContact CB-CB 4.32Å; D62-N65 PolarHBondContact O-N 3.08Å; N65-R67 PolarHBondContact O-N 3.25Å; N65-S68 PolarHBondContact O-N 2.85Å; N65-S68 PolarHBondContact O-OG 3.38Å; N65-G69 PolarHBondContact O-N 3.33Å
66I94.5Very high92.8Very high27 Ų2754.7 Ų54.714%0.13830%0.297CS..Hα-helixtrans-66.2-36.7179.3-67.5-65.9000111.7L61 D62 S68 G69 L70 N71 V88 F106L61-I66 HydrophobicContact CB-CG1 4.43Å; L61-I66 HydrophobicContact CD2-CD1 4.22Å; D62-I66 WeakPolarHBondContact O-CB 3.33Å; D62-I66 VanDerWaalsContact O-CG1 3.26Å; D62-I66 WeakPolarHBondContact O-CG1 3.35Å; D62-I66 PolarHBondContact O-N 2.97Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 2.75Å; I66-G69 CarbonylContact O-C 3.59Å; I66-G69 PolarHBondContact O-N 3.22Å; I66-G69 VanDerWaalsContact O-N 3.15Å; I66-L70 HydrophobicContact CG2-CB 4.43Å; I66-L70 PolarHBondContact O-N 3.16Å; I66-N71 HydrophobicContact CG2-CB 4.06Å; I66-N71 WeakPolarHBondContact CG2-ND2 3.48Å; I66-N71 PolarHBondContact O-N 2.87Å; I66-V88 HydrophobicContact CG2-CG2 3.96Å; I66-F106 HydrophobicContact CB-CZ 4.09Å; I66-F106 HydrophobicContact CG1-CZ 4.03Å; I66-F106 HydrophobicContact CG2-CZ 4.34Å
67R92.9Very high92.9Very high49 Ų4956.5 Ų56.519%0.18531%0.31CS..Hα-helixtrans-67.2-25.7175.1-79.6176.5170.9-82.1-0.7113.5G63 D64 N65 G69 N71 K72 L74 G75G63-R67 VanDerWaalsContact O-CB 3.25Å; G63-R67 WeakPolarHBondContact O-CB 3.3Å; G63-R67 WeakPolarHBondContact O-CG 3.47Å; G63-R67 PolarHBondContact O-N 2.89Å; D64-R67 PolarHBondContact O-N 3.23Å; N65-R67 PolarHBondContact O-N 3.25Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-N71 HydrophobicContact CG-CB 4.49Å; R67-K72 WeakPolarHBondContact O-CA 3.17Å; R67-K72 WeakPolarHBondContact O-CB 3.24Å; R67-K72 PolarHBondContact O-N 3.09Å; R67-L74 PolarHBondContact NH1-O 3.25Å; R67-G75 PolarHBondContact NH1-O 3.26Å; R67-G75 PolarHBondContact NH2-O 2.73Å
68S91.4Very high92.8Very high92 Ų9257.6 Ų57.664%0.64331%0.311SS*.Hα-helixtrans-75.5-21.2172.575.60000113.5D64 N65 I66D64-S68 PolarHBondContact O-N 3.34Å; D64-S68 VanDerWaalsContact O-N 3.13Å; N65-S68 PolarHBondContact O-N 2.85Å; N65-S68 PolarHBondContact O-OG 3.38Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 2.75Å
69G93.3Very high92.6Very high37 Ų3763.9 Ų63.938%0.38134%0.339SS..THydrogen-bonded Turntrans-113.9-103.4-175.900000113.3N65 I66 R67 N71 K72N65-G69 PolarHBondContact O-N 3.33Å; I66-G69 CarbonylContact O-C 3.59Å; I66-G69 PolarHBondContact O-N 3.22Å; I66-G69 VanDerWaalsContact O-N 3.15Å; R67-G69 VanDerWaalsContact C-N 3.31Å; G69-N71 PolarHBondContact O-N 2.89Å; G69-N71 VanDerWaalsContact O-N 3.13Å; G69-K72 WeakPolarHBondContact O-CB 3.21Å; G69-K72 VanDerWaalsContact O-CG 3.29Å; G69-K72 WeakPolarHBondContact O-CG 3.47Å; G69-K72 PolarHBondContact O-N 3.47Å
70L94.1Very high92.3Very high88 Ų8860 Ų6046%0.46133%0.327SS..THydrogen-bonded Turntrans-53.3-34.6-174.2-178.166.7000113.3I66 R87 V91I66-L70 HydrophobicContact CG2-CB 4.43Å; I66-L70 PolarHBondContact O-N 3.16Å; L70-R87 HydrophobicContact CD2-CB 4.24Å; L70-R87 PolarHBondContact O-NH1 2.75Å; L70-V91 HydrophobicContact CD2-CG2 3.55Å
71N95.8Very high91.9Very high1 Ų160.8 Ų60.81%0.00533%0.329CS..THydrogen-bonded Turntrans-108.619.3-173.6-67.6-5.4000113.2I66 R67 G69 N73 L74 N84 R87I66-N71 HydrophobicContact CG2-CB 4.06Å; I66-N71 WeakPolarHBondContact CG2-ND2 3.48Å; I66-N71 PolarHBondContact O-N 2.87Å; R67-N71 HydrophobicContact CG-CB 4.49Å; G69-N71 PolarHBondContact O-N 2.89Å; G69-N71 VanDerWaalsContact O-N 3.13Å; N71-N73 PolarHBondContact O-N 3.05Å; N71-N73 VanDerWaalsContact O-N 3.12Å; N71-L74 HydrophobicContact CB-CD1 3.98Å; N71-L74 HydrophobicContact CB-CG 4.5Å; N71-L74 PolarHBondContact O-N 3.31Å; N71-N84 PolarHBondContact ND2-O 2.81Å; N71-N84 PolarHBondContact ND2-OD1 2.92Å; N71-R87 WeakPolarHBondContact OD1-CD 3.48Å
72K95.1Very high91.7Very high164 Ų16463.7 Ų63.771%0.71335%0.347SS*.THydrogen-bonded Turntrans-61.9-19.1-177.772-176.5179.4179.10115.8R67 G69R67-K72 WeakPolarHBondContact O-CA 3.17Å; R67-K72 WeakPolarHBondContact O-CB 3.24Å; R67-K72 PolarHBondContact O-N 3.09Å; G69-K72 WeakPolarHBondContact O-CB 3.21Å; G69-K72 VanDerWaalsContact O-CG 3.29Å; G69-K72 WeakPolarHBondContact O-CG 3.47Å; G69-K72 PolarHBondContact O-N 3.47Å
73N96Very high91.7Very high102 Ų10265.6 Ų65.655%0.54536%0.355SS..THydrogen-bonded Turntrans-88.1-5.4178.270.2-78.9000113.3N71 R87N71-N73 PolarHBondContact O-N 3.05Å; N71-N73 VanDerWaalsContact O-N 3.12Å; N73-R87 PolarHBondContact OD1-NH1 2.97Å
74L93.2Very high91.9Very high19 Ų1965.5 Ų65.510%0.09935%0.352CS..  trans-97.8133-175.5-58.5178.6000110.6R67 N71 D80 E83 N84R67-L74 PolarHBondContact NH1-O 3.25Å; N71-L74 HydrophobicContact CB-CD1 3.98Å; N71-L74 HydrophobicContact CB-CG 4.5Å; N71-L74 PolarHBondContact O-N 3.31Å; L74-D80 HydrophobicContact CB-CB 4.28Å; L74-E83 HydrophobicContact CD1-CB 4.32Å; L74-E83 HydrophobicContact CD1-CG 4Å; L74-E83 HydrophobicContact CD2-CB 4.31Å; L74-E83 HydrophobicContact CD2-CG 3.89Å; L74-N84 HydrophobicContact CD1-CB 3.75Å
75G87.8Confident92.3Very high29 Ų2961.5 Ų61.530%0.29933%0.331SS..  trans-82.7-139.8169.900000112.5R67 D80R67-G75 PolarHBondContact NH1-O 3.26Å; R67-G75 PolarHBondContact NH2-O 2.73Å; G75-D80 VanDerWaalsContact C-OD2 3.23Å; G75-D80 WeakPolarHBondContact CA-OD2 3.35Å; G75-D80 PolarHBondContact N-OD2 3.32Å
76F86.4Confident92.5Very high135 Ų13562.7 Ų62.759%0.59233%0.328SS*.SBendtrans-128.514.5-176.5-66.1-81.6000113.4D80 R81F76-D80 PolarHBondContact N-OD2 3.02Å; F76-R81 PolarHBondContact O-NE 3.36Å; F76-R81 PolarHBondContact O-NH2 2.72Å
77S86.8Confident92.7Very high42 Ų4264 Ų6429%0.29433%0.331SS..SBendtrans-63.2167.7169.4870000110.8E79 D80 R81S77-E79 VanDerWaalsContact C-N 3.33Å; S77-E79 WeakPolarHBondContact CB-OE2 3.24Å; S77-E79 PolarHBondContact OG-N 3.23Å; S77-E79 PolarHBondContact OG-OE2 2.88Å; S77-D80 PolarHBondContact O-N 3.24Å; S77-D80 PolarHBondContact OG-N 3.14Å; S77-D80 VanDerWaalsContact OG-N 3.12Å; S77-R81 VanDerWaalsContact O-CG 3.25Å; S77-R81 WeakPolarHBondContact O-CG 3.29Å; S77-R81 PolarHBondContact O-N 3.39Å
78D86Confident92.9Very high74 Ų7461.7 Ų61.740%0.39632%0.323SS..Hα-helixtrans-66.7-37.4178.2-67.3-28.6000111.2D80 R81 V82 F110D78-D80 PolarHBondContact O-N 3.42Å; D78-R81 WeakPolarHBondContact O-CB 3.33Å; D78-R81 PolarHBondContact O-N 2.87Å; D78-R81 IonicContact OD1-NH1 3.17Å; D78-V82 WeakPolarHBondContact O-CG2 3.47Å; D78-V82 PolarHBondContact O-N 3.47Å; D78-F110 HydrophobicContact CB-CE2 4.5Å; D78-F110 HydrophobicContact CB-CZ 4.43Å
79E90.3Very high93.2Very high141 Ų14157.6 Ų57.666%0.65929%0.294SS*.Hα-helixtrans-62.9-42.8173.2-56.874.8-163.300111.9S77 R81 V82 E83S77-E79 VanDerWaalsContact C-N 3.33Å; S77-E79 WeakPolarHBondContact CB-OE2 3.24Å; S77-E79 PolarHBondContact OG-N 3.23Å; S77-E79 PolarHBondContact OG-OE2 2.88Å; E79-R81 VanDerWaalsContact C-N 3.27Å; E79-R81 PolarHBondContact O-N 3.16Å; E79-V82 PolarHBondContact O-N 3.15Å; E79-E83 WeakPolarHBondContact O-CB 3.37Å; E79-E83 PolarHBondContact O-N 3.08Å
80D91.8Very high93.5Very high42 Ų4259 Ų5923%0.22529%0.291CS..Hα-helixtrans-63.1-34.7175.3-76.4-34.3000111.7L74 G75 F76 S77 D78 N84L74-D80 HydrophobicContact CB-CB 4.28Å; G75-D80 VanDerWaalsContact C-OD2 3.23Å; G75-D80 WeakPolarHBondContact CA-OD2 3.35Å; G75-D80 PolarHBondContact N-OD2 3.32Å; F76-D80 PolarHBondContact N-OD2 3.02Å; S77-D80 PolarHBondContact O-N 3.24Å; S77-D80 PolarHBondContact OG-N 3.14Å; S77-D80 VanDerWaalsContact OG-N 3.12Å; D78-D80 PolarHBondContact O-N 3.42Å; D80-N84 WeakPolarHBondContact O-CB 3.31Å; D80-N84 PolarHBondContact O-N 2.73Å
81R90.3Very high93.7Very high23 Ų2356.5 Ų56.59%0.08728%0.279CS..Hα-helixtrans-68.8-46.9176.3-72.2166.7-169.1-157.9-8.4111.3F76 S77 D78 E79 N84 I85 N159 T161F76-R81 PolarHBondContact O-NE 3.36Å; F76-R81 PolarHBondContact O-NH2 2.72Å; S77-R81 VanDerWaalsContact O-CG 3.25Å; S77-R81 WeakPolarHBondContact O-CG 3.29Å; S77-R81 PolarHBondContact O-N 3.39Å; D78-R81 WeakPolarHBondContact O-CB 3.33Å; D78-R81 PolarHBondContact O-N 2.87Å; D78-R81 IonicContact OD1-NH1 3.17Å; E79-R81 VanDerWaalsContact C-N 3.27Å; E79-R81 PolarHBondContact O-N 3.16Å; R81-N84 WeakPolarHBondContact O-CB 3.35Å; R81-N84 PolarHBondContact O-N 3.26Å; R81-I85 WeakPolarHBondContact O-CG1 3.26Å; R81-I85 PolarHBondContact O-N 2.99Å; R81-N159 PolarHBondContact NH1-O 3.21Å; R81-N159 PolarHBondContact NH2-O 3.2Å; R81-T161 PolarHBondContact NH1-OG1 3.42Å
82V93.3Very high93.8Very high65 Ų6556.4 Ų56.439%0.39428%0.278SS..Hα-helixtrans-58.5-49.2177.1171.40000110D78 E79 N84 I85 R86D78-V82 WeakPolarHBondContact O-CG2 3.47Å; D78-V82 PolarHBondContact O-N 3.47Å; E79-V82 PolarHBondContact O-N 3.15Å; V82-N84 VanDerWaalsContact C-N 3.35Å; V82-N84 PolarHBondContact O-N 3.29Å; V82-I85 PolarHBondContact O-N 3.02Å; V82-R86 WeakPolarHBondContact O-CB 3.24Å; V82-R86 PolarHBondContact O-N 2.85Å
83E95.6Very high93.9Very high51 Ų5150.6 Ų50.624%0.23825%0.252CS..Hα-helixtrans-65.8-37.2178.1177.759.9-172.300112.3L74 E79 R86 R87L74-E83 HydrophobicContact CD1-CB 4.32Å; L74-E83 HydrophobicContact CD1-CG 4Å; L74-E83 HydrophobicContact CD2-CB 4.31Å; L74-E83 HydrophobicContact CD2-CG 3.89Å; E79-E83 WeakPolarHBondContact O-CB 3.37Å; E79-E83 PolarHBondContact O-N 3.08Å; E83-R86 VanDerWaalsContact CD-NH2 3.35Å; E83-R86 PolarHBondContact O-N 3.41Å; E83-R86 IonicContact OE1-CZ 3.28Å; E83-R86 IonicContact OE1-NE 3.27Å; E83-R86 IonicContact OE1-NH2 2.69Å; E83-R86 PolarHBondContact OE1-NH2 2.66Å; E83-R86 IonicContact OE2-CZ 3.38Å; E83-R86 IonicContact OE2-NE 3.67Å; E83-R86 PolarHBondContact OE2-NE 2.89Å; E83-R86 IonicContact OE2-NH2 3.83Å; E83-R86 PolarHBondContact OE2-NH2 2.87Å; E83-R86 VanDerWaalsContact OE2-NH2 3.16Å; E83-R87 WeakPolarHBondContact O-CG 3.37Å; E83-R87 PolarHBondContact O-N 2.98Å; E83-R87 IonicContact OE1-CZ 3.02Å; E83-R87 IonicContact OE1-NE 2.78Å; E83-R87 PolarHBondContact OE1-NE 2.91Å; E83-R87 IonicContact OE1-NH2 2.58Å
84N95Very high93.9Very high8 Ų850.3 Ų50.34%0.04325%0.25CC..Hα-helixtrans-60-46.5175.3171.881.6000111.2N71 L74 D80 R81 V82 V88N71-N84 PolarHBondContact ND2-O 2.81Å; N71-N84 PolarHBondContact ND2-OD1 2.92Å; L74-N84 HydrophobicContact CD1-CB 3.75Å; D80-N84 WeakPolarHBondContact O-CB 3.31Å; D80-N84 PolarHBondContact O-N 2.73Å; R81-N84 WeakPolarHBondContact O-CB 3.35Å; R81-N84 PolarHBondContact O-N 3.26Å; V82-N84 VanDerWaalsContact C-N 3.35Å; V82-N84 PolarHBondContact O-N 3.29Å; N84-V88 WeakPolarHBondContact O-CG2 3.31Å; N84-V88 PolarHBondContact O-N 2.83Å
85I96.3Very high94.1Very high6 Ų652.1 Ų52.13%0.03126%0.257CS..Hα-helixtrans-67.4-45.1177.5-61.8-51.4000110.8W31 R81 V82 R87 V88 S89 F106 S108 D113W31-I85 HydrophobicContact CH2-CG2 3.93Å; W31-I85 HydrophobicContact CZ2-CD1 4.24Å; W31-I85 HydrophobicContact CZ2-CG2 3.71Å; R81-I85 WeakPolarHBondContact O-CG1 3.26Å; R81-I85 PolarHBondContact O-N 2.99Å; V82-I85 PolarHBondContact O-N 3.02Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 2.87Å; I85-V88 PolarHBondContact O-N 3.23Å; I85-V88 VanDerWaalsContact O-N 3.11Å; I85-S89 PolarHBondContact O-N 2.84Å; I85-S89 PolarHBondContact O-OG 2.9Å; I85-F106 HydrophobicContact CD1-CB 3.98Å; I85-F106 HydrophobicContact CD1-CD1 4.08Å; I85-F106 HydrophobicContact CD1-CG 4.21Å; I85-S108 WeakPolarHBondContact CD1-OG 3.44Å; I85-D113 HydrophobicContact CB-CB 4.27Å; I85-D113 HydrophobicContact CG2-CB 3.88Å
86R97.5Very high94.5Very high122 Ų12250.8 Ų50.846%0.4624%0.243SC..Hα-helixtrans-54.5-46.5177.7-167.4-165.667.372.92.5112.5V82 E83 S89 E90V82-R86 WeakPolarHBondContact O-CB 3.24Å; V82-R86 PolarHBondContact O-N 2.85Å; E83-R86 VanDerWaalsContact CD-NH2 3.35Å; E83-R86 PolarHBondContact O-N 3.41Å; E83-R86 IonicContact OE1-CZ 3.28Å; E83-R86 IonicContact OE1-NE 3.27Å; E83-R86 IonicContact OE1-NH2 2.69Å; E83-R86 PolarHBondContact OE1-NH2 2.66Å; E83-R86 IonicContact OE2-CZ 3.38Å; E83-R86 IonicContact OE2-NE 3.67Å; E83-R86 PolarHBondContact OE2-NE 2.89Å; E83-R86 IonicContact OE2-NH2 3.83Å; E83-R86 PolarHBondContact OE2-NH2 2.87Å; E83-R86 VanDerWaalsContact OE2-NH2 3.16Å; R86-S89 PolarHBondContact O-N 2.89Å; R86-E90 PolarHBondContact O-N 3.03Å
87R97.8Very high94.9Very high54 Ų5446 Ų4620%0.20422%0.224CC..Hα-helixtrans-62.6-43.3177.5-73.1177.9-176.4-170.46.5112.1L70 N71 N73 E83 I85 S89 E90 V91L70-R87 HydrophobicContact CD2-CB 4.24Å; L70-R87 PolarHBondContact O-NH1 2.75Å; N71-R87 WeakPolarHBondContact OD1-CD 3.48Å; N73-R87 PolarHBondContact OD1-NH1 2.97Å; E83-R87 WeakPolarHBondContact O-CG 3.37Å; E83-R87 PolarHBondContact O-N 2.98Å; E83-R87 IonicContact OE1-CZ 3.02Å; E83-R87 IonicContact OE1-NE 2.78Å; E83-R87 PolarHBondContact OE1-NE 2.91Å; E83-R87 IonicContact OE1-NH2 2.58Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 2.87Å; R87-S89 VanDerWaalsContact C-N 3.34Å; R87-E90 PolarHBondContact O-N 3.03Å; R87-V91 WeakPolarHBondContact O-CG2 3.25Å; R87-V91 PolarHBondContact O-N 2.88Å; R87-V91 VanDerWaalsContact O-N 3.16Å
88V97.7Very high95.2Very high1 Ų146.2 Ų46.21%0.00623%0.227CC..Hα-helixtrans-65.1-39.5178.1171.10000111.1W31 L61 I66 N84 I85 E90 V91 A92 T104 F106W31-V88 HydrophobicContact CH2-CB 4.26Å; W31-V88 HydrophobicContact CH2-CG1 3.73Å; W31-V88 HydrophobicContact CZ3-CG1 4.09Å; L61-V88 HydrophobicContact CD1-CG1 4.23Å; I66-V88 HydrophobicContact CG2-CG2 3.96Å; N84-V88 WeakPolarHBondContact O-CG2 3.31Å; N84-V88 PolarHBondContact O-N 2.83Å; I85-V88 PolarHBondContact O-N 3.23Å; I85-V88 VanDerWaalsContact O-N 3.11Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 3.38Å; V88-V91 PolarHBondContact O-N 2.89Å; V88-A92 WeakPolarHBondContact O-CB 3.45Å; V88-A92 PolarHBondContact O-N 2.97Å; V88-T104 HydrophobicContact CG1-CG2 4.36Å; V88-F106 HydrophobicContact CB-CE2 4.25Å; V88-F106 HydrophobicContact CB-CZ 4.13Å; V88-F106 HydrophobicContact CG1-CD2 3.89Å; V88-F106 HydrophobicContact CG1-CE1 4.49Å; V88-F106 HydrophobicContact CG1-CE2 3.39Å; V88-F106 HydrophobicContact CG1-CZ 3.76Å; V88-F106 HydrophobicContact CG2-CD1 4.42Å; V88-F106 HydrophobicContact CG2-CE1 3.58Å; V88-F106 HydrophobicContact CG2-CE2 3.87Å; V88-F106 HydrophobicContact CG2-CZ 3.27Å
89S98.2Very high95.5Very high5 Ų542.7 Ų42.74%0.03521%0.209CC..Hα-helixtrans-60.1-40.4177-55.40000112.3W31 I85 R86 R87 A92 R93 A117W31-S89 WeakPolarHBondContact CH2-OG 3.44Å; I85-S89 PolarHBondContact O-N 2.84Å; I85-S89 PolarHBondContact O-OG 2.9Å; R86-S89 PolarHBondContact O-N 2.89Å; R87-S89 VanDerWaalsContact C-N 3.34Å; S89-A92 PolarHBondContact O-N 3.43Å; S89-R93 WeakPolarHBondContact O-CB 3.35Å; S89-R93 PolarHBondContact O-N 2.97Å; S89-A117 WeakPolarHBondContact OG-CB 3.43Å
90E98.1Very high95.7Very high68 Ų6837.5 Ų37.532%0.31819%0.185SC..Hα-helixtrans-66.5-41.9175.2-71.1-69-178.500112.5R86 R87 V88 R93 L94 L120R86-E90 PolarHBondContact O-N 3.03Å; R87-E90 PolarHBondContact O-N 3.03Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 3.38Å; E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 3.24Å; E90-R93 IonicContact OE2-NE 2.88Å; E90-R93 PolarHBondContact OE2-NE 3.02Å; E90-R93 VanDerWaalsContact OE2-NE 3.17Å; E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.29Å; E90-L94 VanDerWaalsContact O-N 3.09Å; E90-L120 HydrophobicContact CG-CD2 4.24Å
91V98.1Very high96Very high34 Ų3435.5 Ų35.521%0.20618%0.175CC..Hα-helixtrans-64.7-45.1176.1176.60000110.6L61 L70 R87 V88 R93 L94 F95L61-V91 HydrophobicContact CD1-CB 4.19Å; L61-V91 HydrophobicContact CD1-CG1 3.78Å; L61-V91 HydrophobicContact CD2-CG1 4.05Å; L70-V91 HydrophobicContact CD2-CG2 3.55Å; R87-V91 WeakPolarHBondContact O-CG2 3.25Å; R87-V91 PolarHBondContact O-N 2.88Å; R87-V91 VanDerWaalsContact O-N 3.16Å; V88-V91 PolarHBondContact O-N 2.89Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.05Å; V91-L94 WeakPolarHBondContact O-CB 3.5Å; V91-L94 PolarHBondContact O-N 2.81Å; V91-L94 VanDerWaalsContact O-N 3.14Å; V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.64Å; V91-F95 WeakPolarHBondContact O-CD2 3.43Å; V91-F95 PolarHBondContact O-N 3.4Å
92A98.4Very high96.4Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-60.5-42.8178.100000111.8T29 W31 L61 V88 S89 L94 F95 A96 C102 T104T29-A92 HydrophobicContact CG2-CB 3.98Å; T29-A92 PolarHBondContact OG1-O 3.1Å; W31-A92 HydrophobicContact CZ3-CB 4.49Å; L61-A92 HydrophobicContact CD1-CB 4.06Å; V88-A92 WeakPolarHBondContact O-CB 3.45Å; V88-A92 PolarHBondContact O-N 2.97Å; S89-A92 PolarHBondContact O-N 3.43Å; A92-L94 VanDerWaalsContact C-N 3.32Å; A92-L94 PolarHBondContact O-N 2.94Å; A92-F95 PolarHBondContact O-N 2.8Å; A92-A96 WeakPolarHBondContact O-CB 3.28Å; A92-A96 PolarHBondContact O-N 3.46Å; A92-C102 VanDerWaalsContact CA-SG 3.55Å; A92-C102 HydrophobicContact CB-CB 4.44Å; A92-T104 HydrophobicContact CB-CG2 4.09Å
93R97.7Very high96.6Very high42 Ų4231.3 Ų31.316%0.15815%0.152CC..Hα-helixtrans-56.1-45173.3-174.4-164.272.279.57111.7S89 E90 V91 A96 D97 L120 H121 N124 L126S89-R93 WeakPolarHBondContact O-CB 3.35Å; S89-R93 PolarHBondContact O-N 2.97Å; E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 3.24Å; E90-R93 IonicContact OE2-NE 2.88Å; E90-R93 PolarHBondContact OE2-NE 3.02Å; E90-R93 VanDerWaalsContact OE2-NE 3.17Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.05Å; R93-A96 PolarHBondContact O-N 3.01Å; R93-D97 WeakPolarHBondContact O-CB 3.49Å; R93-D97 PolarHBondContact O-N 3.3Å; R93-L120 HydrophobicContact CB-CD2 4.34Å; R93-L120 HydrophobicContact CG-CG 4.48Å; R93-H121 WeakPolarHBondContact CA-NE2 3.35Å; R93-H121 PolarHBondContact N-NE2 2.79Å; R93-N124 HydrophobicContact CG-CB 4.46Å; R93-N124 PolarHBondContact NH1-OD1 3.21Å; R93-L126 HydrophobicContact CB-CD1 4.49Å; R93-L126 HydrophobicContact CG-CD1 3.57Å; R93-L126 WeakPolarHBondContact O-CD1 3.44Å
94L96.6Very high96.7Very high95 Ų9528.9 Ų28.950%0.49714%0.14SC..Hα-helixtrans-65.2-41.8178.6-70.9171000112.4E90 V91 A92 A98E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.29Å; E90-L94 VanDerWaalsContact O-N 3.09Å; V91-L94 WeakPolarHBondContact O-CB 3.5Å; V91-L94 PolarHBondContact O-N 2.81Å; V91-L94 VanDerWaalsContact O-N 3.14Å; A92-L94 VanDerWaalsContact C-N 3.32Å; A92-L94 PolarHBondContact O-N 2.94Å; L94-A98 VanDerWaalsContact O-CB 3.23Å; L94-A98 WeakPolarHBondContact O-CB 3.36Å; L94-A98 PolarHBondContact O-N 2.56Å
95F97Very high96.8Very high58 Ų5828.8 Ų28.825%0.25414%0.14SC..Hα-helixtrans-63.3-45.7174.4-85.9-78000111.6Y59 L61 V91 A92 A98 N99 N100 C102Y59-F95 HydrophobicContact CD1-CE1 4.25Å; Y59-F95 HydrophobicContact CD1-CE2 4.49Å; Y59-F95 AromaticContact CD1-CZ 4Å; Y59-F95 HydrophobicContact CD1-CZ 4Å; Y59-F95 HydrophobicContact CE1-CZ 4.36Å; Y59-F95 HydrophobicContact CG-CE1 4.1Å; Y59-F95 HydrophobicContact CG-CZ 4.29Å; L61-F95 HydrophobicContact CD2-CD2 4.3Å; L61-F95 HydrophobicContact CD2-CE2 3.92Å; V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.64Å; V91-F95 WeakPolarHBondContact O-CD2 3.43Å; V91-F95 PolarHBondContact O-N 3.4Å; A92-F95 PolarHBondContact O-N 2.8Å; F95-A98 CarbonylContact O-C 3.51Å; F95-A98 PolarHBondContact O-N 2.96Å; F95-N99 PolarHBondContact O-N 2.84Å; F95-N100 HydrophobicContact CB-CB 4.26Å; F95-N100 HydrophobicContact CD1-CB 4.08Å; F95-N100 WeakPolarHBondContact O-CB 3.37Å; F95-N100 PolarHBondContact O-N 2.95Å; F95-C102 HydrophobicContact CB-CB 3.79Å
96A96.4Very high96.7Very high0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-59.6-47.3176.800000111.7H14 A92 R93 A98 N99 N100 L126H14-A96 PolarHBondContact CD2-O 2.74Å; H14-A96 VanDerWaalsContact CD2-O 3.25Å; H14-A96 PolarHBondContact NE2-O 3.33Å; A92-A96 WeakPolarHBondContact O-CB 3.28Å; A92-A96 PolarHBondContact O-N 3.46Å; R93-A96 PolarHBondContact O-N 3.01Å; A96-A98 VanDerWaalsContact C-N 3.29Å; A96-A98 PolarHBondContact O-N 3.43Å; A96-N99 PolarHBondContact O-N 3.18Å; A96-N99 VanDerWaalsContact O-N 3.1Å; A96-N100 WeakPolarHBondContact CA-O 3.35Å; A96-L126 HydrophobicContact CB-CD1 4.24Å
97D94.6Very high96.5Very high36 Ų3625.7 Ų25.719%0.19313%0.132CC..Hα-helixtrans-61.2-37.6176.4-172.547.1000111.8R17 R93 N99 L126R17-D97 VanDerWaalsContact CD-O 3.28Å; R17-D97 WeakPolarHBondContact CD-O 3.12Å; R17-D97 IonicContact CZ-OD1 2.69Å; R17-D97 IonicContact CZ-OD2 2.74Å; R17-D97 VanDerWaalsContact CZ-OD2 3.32Å; R17-D97 PolarHBondContact NH1-O 3.14Å; R17-D97 IonicContact NH1-OD1 3.56Å; R17-D97 PolarHBondContact NH1-OD1 2.54Å; R17-D97 IonicContact NH1-OD2 3.36Å; R17-D97 PolarHBondContact NH1-OD2 2.9Å; R17-D97 VanDerWaalsContact NH1-OD2 3.11Å; R17-D97 IonicContact NH2-OD1 3.52Å; R17-D97 IonicContact NH2-OD2 2.74Å; R17-D97 PolarHBondContact NH2-OD2 2.74Å; R93-D97 WeakPolarHBondContact O-CB 3.49Å; R93-D97 PolarHBondContact O-N 3.3Å; D97-N99 PolarHBondContact O-N 3.18Å; D97-L126 HydrophobicContact CB-CD1 4.05Å; D97-L126 HydrophobicContact CB-CD2 4.16Å
98A93.2Very high96.3Very high45 Ų4523.2 Ų23.237%0.37212%0.123SC..THydrogen-bonded Turntrans-74.416.5175.600000114.4L94 F95 A96 N100L94-A98 VanDerWaalsContact O-CB 3.23Å; L94-A98 WeakPolarHBondContact O-CB 3.36Å; L94-A98 PolarHBondContact O-N 2.56Å; F95-A98 CarbonylContact O-C 3.51Å; F95-A98 PolarHBondContact O-N 2.96Å; A96-A98 VanDerWaalsContact C-N 3.29Å; A96-A98 PolarHBondContact O-N 3.43Å; A98-N100 PolarHBondContact O-N 2.68Å; A98-N100 PolarHBondContact O-ND2 3.4Å
99N92.4Very high96Very high1 Ų123.4 Ų23.41%0.00513%0.125CC..THydrogen-bonded Turntrans58.441.5-177.8-160.146.6000114.1R17 S18 F25 H26 G27 F95 A96 D97R17-N99 HydrophobicContact CB-CB 3.89Å; S18-N99 PolarHBondContact OG-OD1 3.48Å; S18-N99 VanDerWaalsContact OG-OD1 3.11Å; F25-N99 WeakPolarHBondContact CE2-O 3.39Å; F25-N99 WeakPolarHBondContact CZ-O 3.41Å; F25-N99 PolarHBondContact O-ND2 2.9Å; F25-N99 PolarHBondContact O-OD1 2.73Å; H26-N99 WeakPolarHBondContact CA-OD1 3.24Å; G27-N99 PolarHBondContact N-OD1 3.47Å; F95-N99 PolarHBondContact O-N 2.84Å; A96-N99 PolarHBondContact O-N 3.18Å; A96-N99 VanDerWaalsContact O-N 3.1Å; D97-N99 PolarHBondContact O-N 3.18Å
100N94.6Very high95.9Very high31 Ų3124.9 Ų24.917%0.16613%0.13CC..  trans-112.4145.6168.5-75.2-102.1000110.4G27 C28 S57 F95 A96 A98 C102G27-N100 VanDerWaalsContact CA-O 3.22Å; G27-N100 WeakPolarHBondContact CA-O 3.34Å; C28-N100 PolarHBondContact N-O 3.37Å; C28-N100 VanDerWaalsContact N-O 3.14Å; S57-N100 WeakPolarHBondContact CB-OD1 3.24Å; S57-N100 WeakPolarHBondContact O-CA 3.34Å; S57-N100 PolarHBondContact OG-OD1 3.44Å; F95-N100 HydrophobicContact CB-CB 4.26Å; F95-N100 HydrophobicContact CD1-CB 4.08Å; F95-N100 WeakPolarHBondContact O-CB 3.37Å; F95-N100 PolarHBondContact O-N 2.95Å; A96-N100 WeakPolarHBondContact CA-O 3.35Å; A98-N100 PolarHBondContact O-N 2.68Å; A98-N100 PolarHBondContact O-ND2 3.4Å; N100-C102 PolarHBondContact O-N 3.19Å
101I96.6Very high95.8Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-81.498.9166.3-58.1-170.9000107.9F25 C28 V30 L51 I56 S57 A58 Y59 L103 L195 V201F25-I101 HydrophobicContact CD2-CD1 4.4Å; F25-I101 HydrophobicContact CD2-CG1 4.2Å; F25-I101 HydrophobicContact CE2-CG1 4.5Å; C28-I101 CarbonylContact O-C 3.45Å; C28-I101 WeakPolarHBondContact O-CA 3.47Å; V30-I101 HydrophobicContact CG2-CG2 4.23Å; L51-I101 HydrophobicContact CD1-CB 4.22Å; L51-I101 HydrophobicContact CD1-CD1 4.15Å; L51-I101 HydrophobicContact CD1-CG2 3.88Å; L51-I101 HydrophobicContact CD2-CD1 4.38Å; I56-I101 HydrophobicContact CG2-CD1 3.54Å; I56-I101 HydrophobicContact CG2-CG1 4.08Å; S57-I101 PolarHBondContact O-N 3.31Å; A58-I101 VanDerWaalsContact CA-O 3.22Å; A58-I101 WeakPolarHBondContact CA-O 3.23Å; A58-I101 HydrophobicContact CB-CB 4.16Å; Y59-I101 PolarHBondContact N-O 3.34Å; Y59-I101 VanDerWaalsContact N-O 3.07Å; I101-L103 HydrophobicContact CG2-CD2 3.75Å; I101-L103 HydrophobicContact CG2-CG 4.47Å; I101-L195 HydrophobicContact CD1-CD1 4.27Å; I101-L195 HydrophobicContact CG2-CD1 4.46Å; I101-V201 HydrophobicContact CD1-CG1 3.61Å
102C98.5Very high95.7Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-79.8119.5178.8-175.40000110.5C28 T29 V30 L61 A92 F95 N100C28-C102 PolarHBondContact O-N 3.39Å; T29-C102 CarbonylContact C-O 3.55Å; T29-C102 WeakPolarHBondContact CA-O 3.21Å; V30-C102 PolarHBondContact N-O 3.09Å; L61-C102 WeakPolarHBondContact CD1-SG 3.45Å; A92-C102 VanDerWaalsContact CA-SG 3.55Å; A92-C102 HydrophobicContact CB-CB 4.44Å; F95-C102 HydrophobicContact CB-CB 3.79Å; N100-C102 PolarHBondContact O-N 3.19Å
103L98.6Very high95.6Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-107.6111.6-178.7-56.8-178.2000109.4V30 F32 A44 L47 E48 L51 Y59 V60 L61 I101V30-L103 HydrophobicContact CB-CD2 3.66Å; V30-L103 HydrophobicContact CG1-CD2 4.41Å; V30-L103 HydrophobicContact CG2-CD2 3.87Å; F32-L103 HydrophobicContact CE2-CB 4.21Å; F32-L103 HydrophobicContact CE2-CD2 4.29Å; A44-L103 HydrophobicContact CB-CB 4.48Å; A44-L103 WeakPolarHBondContact O-CD1 3.33Å; L47-L103 HydrophobicContact CB-CD1 4.04Å; L47-L103 HydrophobicContact CD2-CD1 4.12Å; L47-L103 HydrophobicContact CD2-CD2 3.68Å; L47-L103 HydrophobicContact CG-CD1 3.96Å; L47-L103 HydrophobicContact CG-CD2 4.32Å; E48-L103 HydrophobicContact CB-CD1 3.88Å; L51-L103 HydrophobicContact CD1-CD1 4.46Å; Y59-L103 PolarHBondContact O-N 2.84Å; V60-L103 CarbonylContact C-O 3.46Å; V60-L103 VanDerWaalsContact CA-O 3.26Å; V60-L103 WeakPolarHBondContact CA-O 3.26Å; V60-L103 HydrophobicContact CG2-CB 4.03Å; V60-L103 HydrophobicContact CG2-CD1 4.16Å; L61-L103 PolarHBondContact N-O 2.84Å; I101-L103 HydrophobicContact CG2-CD2 3.75Å; I101-L103 HydrophobicContact CG2-CG 4.47Å
104T97.9Very high95.6Very high0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-103.5130.4-177.178.40000111.1T29 V30 W31 F32 L61 V88 A92T29-T104 HydrophobicContact CG2-CG2 4.16Å; V30-T104 PolarHBondContact O-N 3.1Å; W31-T104 WeakPolarHBondContact CA-OG1 3.47Å; W31-T104 HydrophobicContact CD2-CG2 4.38Å; W31-T104 HydrophobicContact CE3-CG2 3.77Å; W31-T104 HydrophobicContact CZ3-CG2 3.99Å; F32-T104 WeakPolarHBondContact CA-O 3.44Å; F32-T104 VanDerWaalsContact CB-O 3.27Å; F32-T104 WeakPolarHBondContact CB-O 3.26Å; F32-T104 WeakPolarHBondContact CD2-O 3.39Å; F32-T104 PolarHBondContact N-O 3.04Å; L61-T104 HydrophobicContact CB-CG2 4.35Å; L61-T104 HydrophobicContact CD1-CG2 4.26Å; L61-T104 WeakPolarHBondContact O-CA 3.4Å; V88-T104 HydrophobicContact CG1-CG2 4.36Å; A92-T104 HydrophobicContact CB-CG2 4.09Å
105S96.4Very high95.6Very high6 Ų624.1 Ų24.14%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-113.764.2179.251.20000112.7L61 D62L61-S105 PolarHBondContact O-N 2.94Å; D62-S105 VanDerWaalsContact CA-OG 3.3Å; D62-S105 WeakPolarHBondContact CA-OG 3.32Å; D62-S105 PolarHBondContact OD2-OG 3.29Å
106F94.8Very high95.6Very high8 Ų823.7 Ų23.74%0.03514%0.142CC..  trans-107.5156.7-178-70.3-97.3000112.3F32 K40 L61 I66 I85 V88 S108F32-F106 PolarHBondContact O-N 3.12Å; K40-F106 WeakPolarHBondContact CD-O 3.45Å; K40-F106 WeakPolarHBondContact CE-O 3.23Å; L61-F106 HydrophobicContact CB-CE2 4.11Å; L61-F106 WeakPolarHBondContact O-CE2 3.47Å; I66-F106 HydrophobicContact CB-CZ 4.09Å; I66-F106 HydrophobicContact CG1-CZ 4.03Å; I66-F106 HydrophobicContact CG2-CZ 4.34Å; I85-F106 HydrophobicContact CD1-CB 3.98Å; I85-F106 HydrophobicContact CD1-CD1 4.08Å; I85-F106 HydrophobicContact CD1-CG 4.21Å; V88-F106 HydrophobicContact CB-CE2 4.25Å; V88-F106 HydrophobicContact CB-CZ 4.13Å; V88-F106 HydrophobicContact CG1-CD2 3.89Å; V88-F106 HydrophobicContact CG1-CE1 4.49Å; V88-F106 HydrophobicContact CG1-CE2 3.39Å; V88-F106 HydrophobicContact CG1-CZ 3.76Å; V88-F106 HydrophobicContact CG2-CD1 4.42Å; V88-F106 HydrophobicContact CG2-CE1 3.58Å; V88-F106 HydrophobicContact CG2-CE2 3.87Å; V88-F106 HydrophobicContact CG2-CZ 3.27Å; F106-S108 WeakPolarHBondContact CB-OG 3.32Å
107I93.1Very high95.7Very high55 Ų5523.7 Ų23.728%0.28214%0.142SC..  trans-67.7-43173.8-64.1176000110.3T33 P109 T161 Y167T33-I107 PolarHBondContact OG1-O 3.25Å; T33-I107 VanDerWaalsContact OG1-O 3.06Å; I107-P109 HydrophobicContact CG2-CB 4.42Å; I107-T161 HydrophobicContact CG2-CG2 3.69Å; I107-Y167 HydrophobicContact CG2-CD2 4.24Å; I107-Y167 HydrophobicContact CG2-CE2 4.44Å; I107-Y167 WeakPolarHBondContact O-CE2 3.29Å
108S93.5Very high95.9Very high2 Ų224.5 Ų24.51%0.01414%0.143CC..  trans44.760.7177.8-60.20000113.6W31 I85 F106 F110 R114W31-S108 WeakPolarHBondContact CZ2-OG 3.33Å; W31-S108 PolarHBondContact NE1-OG 3.22Å; I85-S108 WeakPolarHBondContact CD1-OG 3.44Å; F106-S108 WeakPolarHBondContact CB-OG 3.32Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 2.99Å; S108-R114 WeakPolarHBondContact O-CD 3.41Å; S108-R114 PolarHBondContact O-NH1 2.95Å
109P92.4Very high96.1Very high6 Ų627.5 Ų27.54%0.03915%0.15CC..  trans-66.7-29.1-166.826.9-34.1000114.2I107 R114 T161 Y167 E168I107-P109 HydrophobicContact CG2-CB 4.42Å; P109-R114 PolarHBondContact O-NH1 3.38Å; P109-T161 HydrophobicContact CB-CG2 3.96Å; P109-Y167 HydrophobicContact CB-CD2 4.24Å; P109-E168 WeakPolarHBondContact O-CB 3.17Å; P109-E168 PolarHBondContact O-N 2.91Å
110F94.4Very high96.4Very high35 Ų3528.8 Ų28.815%0.15416%0.157CC..  trans-94.6131.4-175.4-52.5-58.2000111.1D78 S108 S112 D113 R114 E168D78-F110 HydrophobicContact CB-CE2 4.5Å; D78-F110 HydrophobicContact CB-CZ 4.43Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 2.99Å; F110-S112 VanDerWaalsContact C-N 3.28Å; F110-S112 PolarHBondContact O-N 3.29Å; F110-D113 HydrophobicContact CB-CB 4.44Å; F110-D113 WeakPolarHBondContact CD2-OD2 3.33Å; F110-D113 PolarHBondContact O-N 2.99Å; F110-R114 PolarHBondContact O-N 3.5Å; F110-E168 WeakPolarHBondContact CA-OE2 3.46Å
111E96Very high96.6Very high53 Ų5327.3 Ų27.325%0.24815%0.149CC..Hα-helixtrans-63.4-35.9176.5-179.1169.4-144.700111.4D113 R114 N115 E168 T171E111-D113 VanDerWaalsContact C-N 3.33Å; E111-D113 PolarHBondContact O-N 3.3Å; E111-R114 PolarHBondContact O-N 3.17Å; E111-N115 WeakPolarHBondContact O-CB 3.28Å; E111-N115 PolarHBondContact O-N 3.1Å; E111-N115 PolarHBondContact O-ND2 3.08Å; E111-E168 HydrophobicContact CB-CB 4.35Å; E111-E168 WeakPolarHBondContact CB-OE2 3.36Å; E111-E168 PolarHBondContact N-OE2 2.78Å; E111-T171 WeakPolarHBondContact OE1-CG2 3.41Å; E111-T171 PolarHBondContact OE1-OG1 2.91Å
112S96.6Very high96.6Very high76 Ų7630.8 Ų30.853%0.53117%0.173SC..Hα-helixtrans-56.5-43.9174.7540000112.7F110 N115 A116F110-S112 VanDerWaalsContact C-N 3.28Å; F110-S112 PolarHBondContact O-N 3.29Å; S112-N115 PolarHBondContact O-N 3.19Å; S112-A116 WeakPolarHBondContact O-CB 3.18Å; S112-A116 PolarHBondContact O-N 3.47Å
113D96.3Very high96.5Very high18 Ų1837 Ų3710%0.09620%0.203CC..Hα-helixtrans-67.3-40.9180-70.5-15.6000111.7I85 F110 E111 A116 A117I85-D113 HydrophobicContact CB-CB 4.27Å; I85-D113 HydrophobicContact CG2-CB 3.88Å; F110-D113 HydrophobicContact CB-CB 4.44Å; F110-D113 WeakPolarHBondContact CD2-OD2 3.33Å; F110-D113 PolarHBondContact O-N 2.99Å; E111-D113 VanDerWaalsContact C-N 3.33Å; E111-D113 PolarHBondContact O-N 3.3Å; D113-A116 PolarHBondContact O-N 3.08Å; D113-A117 PolarHBondContact O-N 2.64Å
114R97.1Very high96.3Very high1 Ų139.8 Ų39.80%0.00422%0.217CC..Hα-helixtrans-67.3-40.6177.3-60.3-171.2-52.2-97.70.5111.1S108 P109 F110 E111 A117 R118 E130 E168S108-R114 WeakPolarHBondContact O-CD 3.41Å; S108-R114 PolarHBondContact O-NH1 2.95Å; P109-R114 PolarHBondContact O-NH1 3.38Å; F110-R114 PolarHBondContact O-N 3.5Å; E111-R114 PolarHBondContact O-N 3.17Å; R114-A117 WeakPolarHBondContact O-CB 3.42Å; R114-A117 PolarHBondContact O-N 2.62Å; R114-R118 PolarHBondContact O-N 2.85Å; R114-E130 WeakPolarHBondContact CD-OE1 3.37Å; R114-E130 IonicContact CZ-OE1 3.06Å; R114-E130 IonicContact NE-OE1 2.74Å; R114-E130 PolarHBondContact NE-OE1 3.15Å; R114-E130 IonicContact NH2-OE1 3.14Å; R114-E168 PolarHBondContact NH1-O 3.01Å; R114-E168 PolarHBondContact NH2-O 3.17Å
115N97.7Very high96.2Very high76 Ų7646.6 Ų46.641%0.40625%0.254SS..Hα-helixtrans-66.1-38174.4-76.3-25.3000112.5E111 S112 R118 M119E111-N115 WeakPolarHBondContact O-CB 3.28Å; E111-N115 PolarHBondContact O-N 3.1Å; E111-N115 PolarHBondContact O-ND2 3.08Å; S112-N115 PolarHBondContact O-N 3.19Å; N115-R118 PolarHBondContact O-N 2.99Å; N115-M119 VanDerWaalsContact O-CB 3.31Å; N115-M119 WeakPolarHBondContact O-CB 3.39Å; N115-M119 PolarHBondContact O-N 3.36Å
116A97.6Very high96.2Very high49 Ų4946.7 Ų46.741%0.40525%0.254SS..Hα-helixtrans-63.2-42.4173.500000111.4S112 D113 M119 L120S112-A116 WeakPolarHBondContact O-CB 3.18Å; S112-A116 PolarHBondContact O-N 3.47Å; D113-A116 PolarHBondContact O-N 3.08Å; A116-M119 PolarHBondContact O-N 3.36Å; A116-L120 WeakPolarHBondContact O-CB 3.41Å; A116-L120 PolarHBondContact O-N 3.48Å
117A98Very high96.3Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-60.9-45.8174.300000111.9W31 S89 D113 R114 L120 H121 F128W31-A117 HydrophobicContact CE3-CB 4.37Å; W31-A117 HydrophobicContact CH2-CB 4.29Å; W31-A117 HydrophobicContact CZ3-CB 4.11Å; S89-A117 WeakPolarHBondContact OG-CB 3.43Å; D113-A117 PolarHBondContact O-N 2.64Å; R114-A117 WeakPolarHBondContact O-CB 3.42Å; R114-A117 PolarHBondContact O-N 2.62Å; A117-L120 PolarHBondContact O-N 3.06Å; A117-H121 PolarHBondContact O-N 3Å; A117-H121 PolarHBondContact O-ND1 2.61Å; A117-F128 HydrophobicContact CB-CE2 3.96Å; A117-F128 HydrophobicContact CB-CZ 4.04Å
118R98.3Very high96.6Very high52 Ų5246.1 Ų46.120%0.19625%0.253CS..Hα-helixtrans-60.8-48.6176.1-174.1-177.2-65.4-87.810.1111.4R114 N115 L120 H121 S122 F128 E130 D174R114-R118 PolarHBondContact O-N 2.85Å; N115-R118 PolarHBondContact O-N 2.99Å; R118-L120 VanDerWaalsContact C-N 3.33Å; R118-L120 PolarHBondContact O-N 3.34Å; R118-H121 PolarHBondContact O-N 2.92Å; R118-H121 VanDerWaalsContact O-N 3.13Å; R118-S122 PolarHBondContact O-N 2.68Å; R118-S122 PolarHBondContact O-OG 2.81Å; R118-F128 HydrophobicContact CB-CD1 3.76Å; R118-F128 HydrophobicContact CB-CE1 3.86Å; R118-F128 HydrophobicContact CB-CG 4.31Å; R118-F128 HydrophobicContact CB-CZ 4.47Å; R118-F128 HydrophobicContact CG-CD1 3.78Å; R118-F128 HydrophobicContact CG-CE1 4.31Å; R118-F128 HydrophobicContact CG-CG 4.34Å; R118-F128 PolarHBondContact NH1-O 2.73Å; R118-E130 IonicContact NH2-OE2 2.94Å; R118-E130 PolarHBondContact NH2-OE2 3.38Å; R118-D174 IonicContact CZ-OD2 3.74Å; R118-D174 VanDerWaalsContact CZ-OD2 3.28Å; R118-D174 IonicContact NH1-OD1 2.55Å; R118-D174 IonicContact NH1-OD2 3.9Å; R118-D174 PolarHBondContact NH1-OD2 2.99Å; R118-D174 IonicContact NH2-OD2 3.22Å; R118-D174 PolarHBondContact NH2-OD2 3.15Å
119M98.1Very high96.8Very high108 Ų10847.1 Ų47.153%0.53226%0.257SS..Hα-helixtrans-60.4-41.6179.3-176.8177.264.500111.9N115 A116 H121 S122 Q123N115-M119 VanDerWaalsContact O-CB 3.31Å; N115-M119 WeakPolarHBondContact O-CB 3.39Å; N115-M119 PolarHBondContact O-N 3.36Å; A116-M119 PolarHBondContact O-N 3.36Å; M119-H121 VanDerWaalsContact C-N 3.29Å; M119-H121 PolarHBondContact O-N 2.87Å; M119-S122 PolarHBondContact O-N 2.92Å; M119-Q123 HydrophobicContact CG-CG 4.31Å; M119-Q123 WeakPolarHBondContact O-CB 3.3Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.41Å; M119-Q123 PolarHBondContact O-N 3.35Å
120L98.1Very high97.1Very high28 Ų2847.2 Ų47.215%0.14726%0.257CS..Hα-helixtrans-56.9-43.1174.9175.766.2000111.5E90 R93 A116 A117 R118 N124E90-L120 HydrophobicContact CG-CD2 4.24Å; R93-L120 HydrophobicContact CB-CD2 4.34Å; R93-L120 HydrophobicContact CG-CG 4.48Å; A116-L120 WeakPolarHBondContact O-CB 3.41Å; A116-L120 PolarHBondContact O-N 3.48Å; A117-L120 PolarHBondContact O-N 3.06Å; R118-L120 VanDerWaalsContact C-N 3.33Å; R118-L120 PolarHBondContact O-N 3.34Å; L120-N124 PolarHBondContact O-N 3.27Å; L120-N124 PolarHBondContact O-ND2 2.94Å
121H98.2Very high97.3Very high0 Ų045.5 Ų45.50%025%0.25CC..Hα-helixtrans-69.4-46.1177.5-72.970.3000111.7T29 R93 A117 R118 M119 Q123 N124 N125 L126 F128T29-H121 WeakPolarHBondContact CB-NE2 3.49Å; T29-H121 PolarHBondContact OG1-CD2 2.9Å; T29-H121 PolarHBondContact OG1-NE2 3.31Å; R93-H121 WeakPolarHBondContact CA-NE2 3.35Å; R93-H121 PolarHBondContact N-NE2 2.79Å; A117-H121 PolarHBondContact O-N 3Å; A117-H121 PolarHBondContact O-ND1 2.61Å; R118-H121 PolarHBondContact O-N 2.92Å; R118-H121 VanDerWaalsContact O-N 3.13Å; M119-H121 VanDerWaalsContact C-N 3.29Å; M119-H121 PolarHBondContact O-N 2.87Å; H121-Q123 VanDerWaalsContact C-N 3.32Å; H121-Q123 PolarHBondContact O-N 3.08Å; H121-N124 CarbonylContact O-C 3.5Å; H121-N124 WeakPolarHBondContact O-CA 3.48Å; H121-N124 PolarHBondContact O-N 2.8Å; H121-N125 PolarHBondContact O-N 2.9Å; H121-L126 CarbonylContact C-O 3.5Å; H121-L126 HydrophobicContact CB-CB 4.2Å; H121-L126 PolarHBondContact O-N 3.4Å; H121-F128 HydrophobicContact CB-CB 3.79Å; H121-F128 HydrophobicContact CB-CD2 4.21Å; H121-F128 HydrophobicContact CB-CG 4.39Å; H121-F128 AromaticContact CD2-CD2 3.99Å; H121-F128 AromaticContact CE1-CD2 3.82Å; H121-F128 AromaticContact CG-CD2 3.66Å; H121-F128 AromaticContact ND1-CD2 3.54Å
122S97.1Very high97.4Very high73 Ų7344 Ų4451%0.5124%0.242SC..Hα-helixtrans-58.7-41.1177.6-59.90000112.7R118 M119 N124 N125R118-S122 PolarHBondContact O-N 2.68Å; R118-S122 PolarHBondContact O-OG 2.81Å; M119-S122 PolarHBondContact O-N 2.92Å; S122-N124 PolarHBondContact O-N 3.27Å; S122-N125 PolarHBondContact O-N 3.37Å
123Q96.7Very high97.5Very high132 Ų13240.4 Ų40.462%0.61722%0.217SC*.Hα-helixtrans-64-21.2175.8-74.5173.4-8.500113.3M119 H121M119-Q123 HydrophobicContact CG-CG 4.31Å; M119-Q123 WeakPolarHBondContact O-CB 3.3Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.41Å; M119-Q123 PolarHBondContact O-N 3.35Å; H121-Q123 VanDerWaalsContact C-N 3.32Å; H121-Q123 PolarHBondContact O-N 3.08Å
124N94.7Very high97.5Very high57 Ų5741.1 Ų41.131%0.30523%0.225SC..THydrogen-bonded Turntrans-101.38.5176.8-73.4-103.3000112.4R93 L120 H121 S122 L126R93-N124 HydrophobicContact CG-CB 4.46Å; R93-N124 PolarHBondContact NH1-OD1 3.21Å; L120-N124 PolarHBondContact O-N 3.27Å; L120-N124 PolarHBondContact O-ND2 2.94Å; H121-N124 CarbonylContact O-C 3.5Å; H121-N124 WeakPolarHBondContact O-CA 3.48Å; H121-N124 PolarHBondContact O-N 2.8Å; S122-N124 PolarHBondContact O-N 3.27Å; N124-L126 HydrophobicContact CB-CD1 3.84Å; N124-L126 HydrophobicContact CB-CG 4.02Å; N124-L126 PolarHBondContact O-N 3.03Å
125N94.8Very high97.3Very high144 Ų14441.3 Ų41.377%0.7723%0.227SC*.THydrogen-bonded Turntrans55.933.3-174-54.9-54.5000113.6H121 S122H121-N125 PolarHBondContact O-N 2.9Å; S122-N125 PolarHBondContact O-N 3.37Å
126L96.6Very high97.2Very high8 Ų839.9 Ų39.94%0.04222%0.221CC..  trans-103.5135.3179.6-62.3170.2000110.4H14 R93 A96 D97 H121 N124H14-L126 HydrophobicContact CB-CD2 4.11Å; R93-L126 HydrophobicContact CB-CD1 4.49Å; R93-L126 HydrophobicContact CG-CD1 3.57Å; R93-L126 WeakPolarHBondContact O-CD1 3.44Å; A96-L126 HydrophobicContact CB-CD1 4.24Å; D97-L126 HydrophobicContact CB-CD1 4.05Å; D97-L126 HydrophobicContact CB-CD2 4.16Å; H121-L126 CarbonylContact C-O 3.5Å; H121-L126 HydrophobicContact CB-CB 4.2Å; H121-L126 PolarHBondContact O-N 3.4Å; N124-L126 HydrophobicContact CB-CD1 3.84Å; N124-L126 HydrophobicContact CB-CG 4.02Å; N124-L126 PolarHBondContact O-N 3.03Å
127P97.2Very high96.9Very high35 Ų3539.4 Ų39.423%0.22721%0.212CC..  trans-67.1138.5175.6-15.627.8000112C28 T29 F129 L200C28-P127 HydrophobicContact CB-CB 3.77Å; C28-P127 HydrophobicContact CB-CG 4.19Å; C28-P127 WeakPolarHBondContact CB-O 3.32Å; T29-P127 PolarHBondContact N-O 3.32Å; P127-F129 HydrophobicContact CB-CE2 3.94Å; P127-F129 HydrophobicContact CB-CZ 4.49Å; P127-L200 HydrophobicContact CB-CD1 3.66Å; P127-L200 HydrophobicContact CB-CD2 4.17Å; P127-L200 HydrophobicContact CG-CD1 4.04Å; P127-L200 HydrophobicContact CG-CD2 3.59Å; P127-L200 HydrophobicContact CG-CG 4.48Å
128F98.5Very high96.7Very high15 Ų1545.2 Ų45.27%0.06624%0.239CC..EExtended strand (participates in β ladder)trans-137.8129.9179.3-178.3-81.3000110.1T29 W31 A117 R118 H121 E130T29-F128 HydrophobicContact CG2-CD2 3.79Å; T29-F128 HydrophobicContact CG2-CE2 3.81Å; T29-F128 WeakPolarHBondContact O-CA 3.49Å; W31-F128 HydrophobicContact CB-CE1 4.1Å; W31-F128 HydrophobicContact CB-CE2 3.98Å; W31-F128 HydrophobicContact CB-CZ 3.49Å; W31-F128 VanDerWaalsContact CB-CZ 3.49Å; W31-F128 HydrophobicContact CD2-CE2 4.12Å; W31-F128 AromaticContact CD2-CZ 3.92Å; W31-F128 HydrophobicContact CD2-CZ 3.92Å; W31-F128 AromaticContact CE3-CE2 3.62Å; W31-F128 HydrophobicContact CE3-CE2 3.62Å; W31-F128 AromaticContact CE3-CZ 3.91Å; W31-F128 HydrophobicContact CE3-CZ 3.91Å; W31-F128 HydrophobicContact CG-CE2 4.31Å; W31-F128 AromaticContact CG-CZ 3.77Å; W31-F128 HydrophobicContact CG-CZ 3.77Å; W31-F128 HydrophobicContact CZ3-CE2 4.44Å; A117-F128 HydrophobicContact CB-CE2 3.96Å; A117-F128 HydrophobicContact CB-CZ 4.04Å; R118-F128 HydrophobicContact CB-CD1 3.76Å; R118-F128 HydrophobicContact CB-CE1 3.86Å; R118-F128 HydrophobicContact CB-CG 4.31Å; R118-F128 HydrophobicContact CB-CZ 4.47Å; R118-F128 HydrophobicContact CG-CD1 3.78Å; R118-F128 HydrophobicContact CG-CE1 4.31Å; R118-F128 HydrophobicContact CG-CG 4.34Å; R118-F128 PolarHBondContact NH1-O 2.73Å; H121-F128 HydrophobicContact CB-CB 3.79Å; H121-F128 HydrophobicContact CB-CD2 4.21Å; H121-F128 HydrophobicContact CB-CG 4.39Å; H121-F128 AromaticContact CD2-CD2 3.99Å; H121-F128 AromaticContact CE1-CD2 3.82Å; H121-F128 AromaticContact CG-CD2 3.66Å; H121-F128 AromaticContact ND1-CD2 3.54Å; F128-E130 HydrophobicContact CE1-CB 4.27Å
129F98.5Very high96.5Very high24 Ų2442.9 Ų42.911%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-123.2124.6178.5-59-90.8000110.5C28 T29 W31 P127 D174 M194 L195 A198 L200C28-F129 HydrophobicContact CB-CE2 4.4Å; T29-F129 PolarHBondContact O-N 2.97Å; W31-F129 PolarHBondContact N-O 2.85Å; P127-F129 HydrophobicContact CB-CE2 3.94Å; P127-F129 HydrophobicContact CB-CZ 4.49Å; F129-D174 WeakPolarHBondContact CA-OD2 3.34Å; F129-D174 HydrophobicContact CB-CB 4.27Å; F129-D174 HydrophobicContact CD1-CB 4.05Å; F129-M194 HydrophobicContact CB-CE 3.47Å; F129-M194 VanDerWaalsContact CB-CE 3.47Å; F129-M194 HydrophobicContact CB-SD 3.9Å; F129-M194 HydrophobicContact CD1-CE 3.73Å; F129-M194 HydrophobicContact CD1-CG 3.9Å; F129-M194 HydrophobicContact CD1-SD 3.63Å; F129-M194 HydrophobicContact CD2-CE 4.24Å; F129-M194 HydrophobicContact CE1-CG 4.24Å; F129-M194 HydrophobicContact CG-CE 3.53Å; F129-M194 HydrophobicContact CG-SD 3.99Å; F129-L195 HydrophobicContact CD2-CD2 4.1Å; F129-L195 HydrophobicContact CE2-CD2 4.06Å; F129-A198 HydrophobicContact CE1-CB 4Å; F129-A198 HydrophobicContact CZ-CB 3.56Å; F129-L200 HydrophobicContact CD2-CD1 4.43Å; F129-L200 HydrophobicContact CE2-CD1 3.21Å; F129-L200 HydrophobicContact CZ-CD1 3.47Å; F129-L200 VanDerWaalsContact CZ-CD1 3.47Å
130E98.6Very high96.3Very high7 Ų737.8 Ų37.83%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-91.5116.6170.4-177.5177.4-152.100109.8T33 R114 R118 F128 P170 P173 D174 L175T33-E130 HydrophobicContact CG2-CG 4.09Å; R114-E130 WeakPolarHBondContact CD-OE1 3.37Å; R114-E130 IonicContact CZ-OE1 3.06Å; R114-E130 IonicContact NE-OE1 2.74Å; R114-E130 PolarHBondContact NE-OE1 3.15Å; R114-E130 IonicContact NH2-OE1 3.14Å; R118-E130 IonicContact NH2-OE2 2.94Å; R118-E130 PolarHBondContact NH2-OE2 3.38Å; F128-E130 HydrophobicContact CE1-CB 4.27Å; E130-P170 WeakPolarHBondContact OE1-CG 3.35Å; E130-P173 HydrophobicContact CG-CB 4.34Å; E130-D174 PolarHBondContact N-OD2 3.36Å; E130-D174 PolarHBondContact O-N 2.69Å; E130-L175 PolarHBondContact O-N 3.04Å
131V98.5Very high96.1Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-108.4109.9177.9-176.10000109V30 W31 F32 T33 L133 L175 L177 M194V30-V131 HydrophobicContact CG1-CB 4.5Å; V30-V131 HydrophobicContact CG1-CG2 3.54Å; W31-V131 PolarHBondContact O-N 3.01Å; F32-V131 WeakPolarHBondContact CA-O 3.36Å; F32-V131 HydrophobicContact CD1-CB 3.65Å; F32-V131 HydrophobicContact CD1-CG1 3.72Å; F32-V131 HydrophobicContact CD1-CG2 4.32Å; F32-V131 HydrophobicContact CE1-CB 3.95Å; F32-V131 HydrophobicContact CE1-CG1 3.84Å; F32-V131 HydrophobicContact CE1-CG2 4.19Å; T33-V131 PolarHBondContact N-O 3.45Å; V131-L133 HydrophobicContact CG1-CD1 4.15Å; V131-L175 CarbonylContact C-O 3.52Å; V131-L175 WeakPolarHBondContact CA-O 3.34Å; V131-L175 HydrophobicContact CG1-CB 4.24Å; V131-L175 HydrophobicContact CG1-CD2 4.15Å; V131-L175 HydrophobicContact CG1-CG 4.3Å; V131-L175 HydrophobicContact CG2-CB 4.25Å; V131-L177 HydrophobicContact CG1-CD1 3.71Å; V131-L177 HydrophobicContact CG1-CG 4.17Å; V131-M194 HydrophobicContact CG2-CE 4.1Å; V131-M194 HydrophobicContact CG2-SD 4.28Å
132F98.3Very high96Very high20 Ų2047.3 Ų47.39%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-89.5114.4-179.2178.9-149.3000111.4T33 A134 Y167 N169 P170 P173 L175 I176 L177T33-F132 HydrophobicContact CG2-CB 4.33Å; T33-F132 HydrophobicContact CG2-CD2 4.28Å; F132-A134 HydrophobicContact CD1-CB 3.93Å; F132-A134 HydrophobicContact CE1-CB 3.58Å; F132-A134 HydrophobicContact CE2-CB 4.3Å; F132-A134 HydrophobicContact CG-CB 4.44Å; F132-A134 HydrophobicContact CZ-CB 3.78Å; F132-A134 PolarHBondContact O-N 2.74Å; F132-Y167 WeakPolarHBondContact CD2-OH 3.39Å; F132-Y167 AromaticContact CE2-CE1 3.73Å; F132-Y167 HydrophobicContact CE2-CE1 3.73Å; F132-Y167 AromaticContact CE2-CZ 3.95Å; F132-Y167 VanDerWaalsContact CE2-OH 3.3Å; F132-Y167 WeakPolarHBondContact CE2-OH 3.15Å; F132-Y167 HydrophobicContact CZ-CE1 4.18Å; F132-N169 HydrophobicContact CE1-CB 4.34Å; F132-N169 HydrophobicContact CZ-CB 4.28Å; F132-N169 WeakPolarHBondContact CZ-OD1 3.39Å; F132-P170 HydrophobicContact CB-CB 4.4Å; F132-P170 HydrophobicContact CB-CG 3.93Å; F132-P170 HydrophobicContact CD1-CG 4.28Å; F132-P170 HydrophobicContact CD2-CG 4.05Å; F132-P170 HydrophobicContact CG-CB 4.47Å; F132-P170 HydrophobicContact CG-CG 3.82Å; F132-P173 HydrophobicContact CB-CB 3.85Å; F132-P173 HydrophobicContact CB-CG 4.1Å; F132-L175 PolarHBondContact N-O 3.06Å; F132-I176 HydrophobicContact CD1-CG2 4.3Å; F132-I176 WeakPolarHBondContact O-CA 3.47Å; F132-L177 PolarHBondContact O-N 3.27Å
133L97.7Very high95.7Very high2 Ų248.4 Ų48.41%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-84.486.4170.5-77.772.5000109.5F32 T33 A38 K40 L43 V131 T135 L177 T179F32-L133 HydrophobicContact CB-CD1 4.11Å; F32-L133 HydrophobicContact CD1-CD1 3.74Å; F32-L133 HydrophobicContact CG-CD1 4.38Å; T33-L133 PolarHBondContact O-N 3.46Å; A38-L133 HydrophobicContact CB-CB 4.13Å; A38-L133 WeakPolarHBondContact O-CD2 3.17Å; K40-L133 HydrophobicContact CB-CD2 4.3Å; K40-L133 HydrophobicContact CG-CD1 4.39Å; K40-L133 HydrophobicContact CG-CD2 3.84Å; K40-L133 HydrophobicContact CG-CG 4.49Å; L43-L133 HydrophobicContact CD2-CD1 4.26Å; L43-L133 HydrophobicContact CD2-CD2 4.28Å; L43-L133 HydrophobicContact CD2-CG 4.5Å; V131-L133 HydrophobicContact CG1-CD1 4.15Å; L133-T135 PolarHBondContact O-N 3.19Å; L133-L177 CarbonylContact C-O 3.41Å; L133-L177 VanDerWaalsContact CA-O 3.27Å; L133-L177 WeakPolarHBondContact CA-O 3.47Å; L133-T179 HydrophobicContact CD2-CG2 3.89Å; L133-T179 HydrophobicContact CG-CG2 4.29Å
134A96.3Very high95.4Very high32 Ų3243.7 Ų43.726%0.26421%0.214SC..  trans-75.949.4-179.900000112.6F132 I176 L177F132-A134 HydrophobicContact CD1-CB 3.93Å; F132-A134 HydrophobicContact CE1-CB 3.58Å; F132-A134 HydrophobicContact CE2-CB 4.3Å; F132-A134 HydrophobicContact CG-CB 4.44Å; F132-A134 HydrophobicContact CZ-CB 3.78Å; F132-A134 PolarHBondContact O-N 2.74Å; A134-I176 HydrophobicContact CB-CG2 3.74Å; A134-L177 PolarHBondContact N-O 3.12Å
135T94.7Very high94.9Very high6 Ų647 Ų474%0.03724%0.235CC..  trans-80.1126.5176.4-53.90000109A38 L133 V139 T179A38-T135 PolarHBondContact O-OG1 2.7Å; L133-T135 PolarHBondContact O-N 3.19Å; T135-V139 HydrophobicContact CG2-CB 3.94Å; T135-V139 HydrophobicContact CG2-CG1 3.79Å; T135-T179 PolarHBondContact OG1-N 2.96Å; T135-T179 PolarHBondContact OG1-OG1 3.48Å
136P93.8Very high94.5Very high45 Ų4545.7 Ų45.729%0.29222%0.223SC..  trans-56147.8-179.2-24.532.8000112.7E138 V139 C140P136-E138 VanDerWaalsContact C-N 3.25Å; P136-E138 WeakPolarHBondContact CB-OE2 3.28Å; P136-E138 PolarHBondContact O-N 3.27Å; P136-V139 HydrophobicContact CB-CG2 4.05Å; P136-V139 HydrophobicContact CG-CG2 4.19Å; P136-V139 WeakPolarHBondContact O-CB 3.47Å; P136-V139 PolarHBondContact O-N 3.11Å; P136-V139 VanDerWaalsContact O-N 3.14Å; P136-C140 PolarHBondContact O-N 3.2Å; P136-C140 VanDerWaalsContact O-N 3.1Å; P136-C140 PolarHBondContact O-SG 3.38Å
137I93.1Very high94.2Very high39 Ų3946.6 Ų46.620%0.223%0.234CC..Hα-helixtrans-63.7-34.5-176.8-171.5167.9000111.5L35 V139 C140 E141 Y149 G162 I163L35-I137 HydrophobicContact CD1-CB 3.79Å; L35-I137 HydrophobicContact CD1-CD1 4.39Å; L35-I137 HydrophobicContact CD1-CG1 4.06Å; I137-V139 PolarHBondContact O-N 2.9Å; I137-C140 CarbonylContact O-C 3.6Å; I137-C140 WeakPolarHBondContact O-CB 3.23Å; I137-C140 PolarHBondContact O-N 2.64Å; I137-C140 VanDerWaalsContact O-N 3.12Å; I137-E141 HydrophobicContact CG1-CG 4.26Å; I137-E141 WeakPolarHBondContact O-CB 3.22Å; I137-E141 WeakPolarHBondContact O-CG 3.25Å; I137-E141 PolarHBondContact O-N 3.32Å; I137-Y149 HydrophobicContact CG1-CE1 4.25Å; I137-G162 WeakPolarHBondContact CD1-O 3.19Å; I137-I163 HydrophobicContact CD1-CD1 3.95Å
138E93.6Very high93.9Very high122 Ų12247 Ų4757%0.5723%0.234SC*.Hα-helixtrans-62.5-35.6178.3-5874.1-161.700111P136 R142P136-E138 VanDerWaalsContact C-N 3.25Å; P136-E138 WeakPolarHBondContact CB-OE2 3.28Å; P136-E138 PolarHBondContact O-N 3.27Å; E138-R142 WeakPolarHBondContact O-CB 3.32Å; E138-R142 PolarHBondContact O-N 3.06Å
139V94.2Very high93.7Very high4 Ų446.5 Ų46.52%0.02423%0.232CC..Hα-helixtrans-72.1-42.2175.4-179.60000110.4T135 P136 I137 R142 R143 E180T135-V139 HydrophobicContact CG2-CB 3.94Å; T135-V139 HydrophobicContact CG2-CG1 3.79Å; P136-V139 HydrophobicContact CB-CG2 4.05Å; P136-V139 HydrophobicContact CG-CG2 4.19Å; P136-V139 WeakPolarHBondContact O-CB 3.47Å; P136-V139 PolarHBondContact O-N 3.11Å; P136-V139 VanDerWaalsContact O-N 3.14Å; I137-V139 PolarHBondContact O-N 2.9Å; V139-R142 PolarHBondContact O-N 3.35Å; V139-R143 VanDerWaalsContact O-CG 3.29Å; V139-R143 WeakPolarHBondContact O-CG 3.32Å; V139-R143 PolarHBondContact O-N 2.86Å; V139-E180 HydrophobicContact CG1-CB 4.41Å; V139-E180 HydrophobicContact CG2-CB 4.46Å; V139-E180 HydrophobicContact CG2-CG 4.33Å; V139-E180 WeakPolarHBondContact CG2-OE1 3.26Å; V139-E180 WeakPolarHBondContact CG2-OE2 3.49Å
140C94.1Very high93.4Very high0 Ų053.3 Ų53.30%026%0.261CS..Hα-helixtrans-62.6-44.9176.8-63.50000111.6S36 P136 I137 R143 D144 Y149S36-C140 VanDerWaalsContact O-CB 3.29Å; S36-C140 WeakPolarHBondContact O-CB 3.3Å; P136-C140 PolarHBondContact O-N 3.2Å; P136-C140 VanDerWaalsContact O-N 3.1Å; P136-C140 PolarHBondContact O-SG 3.38Å; I137-C140 CarbonylContact O-C 3.6Å; I137-C140 WeakPolarHBondContact O-CB 3.23Å; I137-C140 PolarHBondContact O-N 2.64Å; I137-C140 VanDerWaalsContact O-N 3.12Å; C140-R143 PolarHBondContact O-N 3.15Å; C140-D144 PolarHBondContact O-N 3.21Å; C140-Y149 HydrophobicContact CB-CE2 3.93Å; C140-Y149 WeakPolarHBondContact CB-OH 3.04Å
141E94.1Very high93.1Very high60 Ų6058.5 Ų58.528%0.2828%0.281SS..Hα-helixtrans-63.6-41.5174-78.9-170.4174.900111.9I137 R143 D144 Y149 R153 I163I137-E141 HydrophobicContact CG1-CG 4.26Å; I137-E141 WeakPolarHBondContact O-CB 3.22Å; I137-E141 WeakPolarHBondContact O-CG 3.25Å; I137-E141 PolarHBondContact O-N 3.32Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 2.67Å; E141-D144 WeakPolarHBondContact O-CB 3.4Å; E141-D144 PolarHBondContact O-N 2.9Å; E141-Y149 HydrophobicContact CB-CD1 4.4Å; E141-Y149 HydrophobicContact CB-CG 4.39Å; E141-Y149 HydrophobicContact CG-CD1 3.32Å; E141-Y149 HydrophobicContact CG-CD2 4.46Å; E141-Y149 HydrophobicContact CG-CE1 3.71Å; E141-Y149 HydrophobicContact CG-CG 3.73Å; E141-R153 IonicContact OE1-CZ 3.38Å; E141-R153 IonicContact OE1-NE 3.16Å; E141-R153 PolarHBondContact OE1-NE 2.57Å; E141-R153 VanDerWaalsContact OE1-NE 3.16Å; E141-R153 IonicContact OE1-NH2 2.74Å; E141-R153 PolarHBondContact OE1-NH2 2.83Å; E141-I163 WeakPolarHBondContact OE1-CD1 3.43Å
142R94Very high92.8Very high168 Ų16858.9 Ų58.963%0.63428%0.284SS*.Hα-helixtrans-62.9-37.4175.9-178.7174.868.4-132.36.1112.1E138 V139 E180E138-R142 WeakPolarHBondContact O-CB 3.32Å; E138-R142 PolarHBondContact O-N 3.06Å; V139-R142 PolarHBondContact O-N 3.35Å; R142-E180 IonicContact NH2-OE1 3.22Å; R142-E180 PolarHBondContact NH2-OE1 2.97Å; R142-E180 VanDerWaalsContact NH2-OE1 3.14Å
143R92.1Very high92.6Very high97 Ų9765.3 Ų65.337%0.36631%0.308SS..Hα-helixtrans-72.9-40.1179-72.8172.5179.8176.21.1112.4V139 C140 E141 V145 T179V139-R143 VanDerWaalsContact O-CG 3.29Å; V139-R143 WeakPolarHBondContact O-CG 3.32Å; V139-R143 PolarHBondContact O-N 2.86Å; C140-R143 PolarHBondContact O-N 3.15Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 2.67Å; R143-V145 HydrophobicContact CB-CG2 4.22Å; R143-V145 WeakPolarHBondContact O-CA 3.42Å; R143-V145 PolarHBondContact O-N 2.87Å; R143-T179 PolarHBondContact NH1-OG1 3.36Å; R143-T179 PolarHBondContact NH2-O 3.36Å
144D90.5Very high92.3Very high32 Ų3268.4 Ų68.417%0.17133%0.333CS..  trans20.252.3-176.9-161.218.4000116.1C140 E141 K146 G147 L148 Y149 K150C140-D144 PolarHBondContact O-N 3.21Å; E141-D144 WeakPolarHBondContact O-CB 3.4Å; E141-D144 PolarHBondContact O-N 2.9Å; D144-K146 PolarHBondContact O-N 3.39Å; D144-G147 VanDerWaalsContact CG-CA 3.44Å; D144-G147 PolarHBondContact O-N 3.43Å; D144-G147 VanDerWaalsContact OD1-C 3.24Å; D144-G147 WeakPolarHBondContact OD1-CA 3.25Å; D144-G147 PolarHBondContact OD1-N 3.23Å; D144-G147 VanDerWaalsContact OD2-C 3.28Å; D144-G147 VanDerWaalsContact OD2-CA 3.25Å; D144-G147 WeakPolarHBondContact OD2-CA 3.39Å; D144-L148 PolarHBondContact OD1-N 3.01Å; D144-Y149 HydrophobicContact CB-CD2 4.4Å; D144-Y149 PolarHBondContact OD1-N 2.93Å; D144-Y149 PolarHBondContact OD2-N 2.93Å; D144-K150 WeakPolarHBondContact OD2-CB 3.1Å; D144-K150 PolarHBondContact OD2-N 3.26Å
145V83.2Confident92Very high126 Ų12669.2 Ų69.276%0.76435%0.345SS*.THydrogen-bonded Turntrans-57.7-27.9-166.1-177.80000112.9R143R143-V145 HydrophobicContact CB-CG2 4.22Å; R143-V145 WeakPolarHBondContact O-CA 3.42Å; R143-V145 PolarHBondContact O-N 2.87Å
146K86.4Confident91.8Very high118 Ų11874.8 Ų74.851%0.51337%0.371SS..THydrogen-bonded Turntrans-108.14.6-178.8-65.4-179.5-1771760113.3D64 D144 L148D64-K146 IonicContact OD1-NZ 3.86Å; D64-K146 IonicContact OD2-NZ 3.89Å; D64-K146 PolarHBondContact OD2-NZ 3.12Å; D144-K146 PolarHBondContact O-N 3.39Å; K146-L148 HydrophobicContact CB-CD1 3.91Å; K146-L148 HydrophobicContact CB-CG 3.72Å; K146-L148 HydrophobicContact CD-CD1 4.14Å; K146-L148 PolarHBondContact O-N 3.44Å
147G90.7Very high91.5Very high27 Ų2774.5 Ų74.528%0.27837%0.366SS..SBendtrans65.519.1-176.100000114.3D144 R151D144-G147 VanDerWaalsContact CG-CA 3.44Å; D144-G147 PolarHBondContact O-N 3.43Å; D144-G147 VanDerWaalsContact OD1-C 3.24Å; D144-G147 WeakPolarHBondContact OD1-CA 3.25Å; D144-G147 PolarHBondContact OD1-N 3.23Å; D144-G147 VanDerWaalsContact OD2-C 3.28Å; D144-G147 VanDerWaalsContact OD2-CA 3.25Å; D144-G147 WeakPolarHBondContact OD2-CA 3.39Å; G147-R151 WeakPolarHBondContact O-CD 3.45Å; G147-R151 WeakPolarHBondContact O-CG 3.33Å; G147-R151 PolarHBondContact O-N 3.26Å
148L91.7Very high91.1Very high42 Ų4281 Ų8122%0.2239%0.393CS..Hα-helixtrans-78.8-36.3-173.1-62.4175.5000111.8D144 K146 R151 A152 I157 F160D144-L148 PolarHBondContact OD1-N 3.01Å; K146-L148 HydrophobicContact CB-CD1 3.91Å; K146-L148 HydrophobicContact CB-CG 3.72Å; K146-L148 HydrophobicContact CD-CD1 4.14Å; K146-L148 PolarHBondContact O-N 3.44Å; L148-R151 PolarHBondContact O-N 2.96Å; L148-A152 VanDerWaalsContact O-CB 3.26Å; L148-A152 WeakPolarHBondContact O-CB 3.33Å; L148-A152 PolarHBondContact O-N 3.2Å; L148-I157 HydrophobicContact CB-CD1 4.39Å; L148-I157 HydrophobicContact CD2-CD1 3.73Å; L148-F160 HydrophobicContact CB-CE2 3.67Å; L148-F160 HydrophobicContact CB-CZ 3.75Å; L148-F160 HydrophobicContact CD1-CE2 4.2Å; L148-F160 HydrophobicContact CG-CE2 4.48Å
149Y93.1Very high90.7Very high5 Ų579 Ų792%0.0239%0.387CS..Hα-helixtrans-66.4-45.3178.3-78.3-80000111.1S36 I137 C140 E141 D144 R151 A152 R153 F160 I163S36-Y149 WeakPolarHBondContact O-CE2 3.41Å; S36-Y149 PolarHBondContact O-OH 2.99Å; I137-Y149 HydrophobicContact CG1-CE1 4.25Å; C140-Y149 HydrophobicContact CB-CE2 3.93Å; C140-Y149 WeakPolarHBondContact CB-OH 3.04Å; E141-Y149 HydrophobicContact CB-CD1 4.4Å; E141-Y149 HydrophobicContact CB-CG 4.39Å; E141-Y149 HydrophobicContact CG-CD1 3.32Å; E141-Y149 HydrophobicContact CG-CD2 4.46Å; E141-Y149 HydrophobicContact CG-CE1 3.71Å; E141-Y149 HydrophobicContact CG-CG 3.73Å; D144-Y149 HydrophobicContact CB-CD2 4.4Å; D144-Y149 PolarHBondContact OD1-N 2.93Å; D144-Y149 PolarHBondContact OD2-N 2.93Å; Y149-R151 VanDerWaalsContact C-N 3.32Å; Y149-R151 PolarHBondContact O-N 3.12Å; Y149-A152 PolarHBondContact O-N 2.95Å; Y149-R153 WeakPolarHBondContact O-CB 3.45Å; Y149-R153 WeakPolarHBondContact O-CG 3.48Å; Y149-R153 PolarHBondContact O-N 3.46Å; Y149-F160 HydrophobicContact CD1-CD1 4.45Å; Y149-F160 AromaticContact CD1-CE1 3.71Å; Y149-F160 HydrophobicContact CD1-CE1 3.71Å; Y149-F160 HydrophobicContact CD2-CE1 4.47Å; Y149-F160 HydrophobicContact CE1-CD1 4.48Å; Y149-F160 AromaticContact CE1-CE1 3.64Å; Y149-F160 HydrophobicContact CE1-CE1 3.64Å; Y149-F160 HydrophobicContact CE2-CE1 4.38Å; Y149-F160 HydrophobicContact CG-CE1 4.16Å; Y149-F160 AromaticContact CZ-CE1 3.98Å; Y149-I163 HydrophobicContact CD1-CD1 3.89Å; Y149-I163 HydrophobicContact CD1-CG1 4.05Å; Y149-I163 HydrophobicContact CE1-CD1 4.09Å; Y149-I163 HydrophobicContact CE1-CG1 4.23Å
150K92.8Very high90.4Very high167 Ų16779.8 Ų79.873%0.72639%0.39SS*.Hα-helixtrans-56.8-45.8175.8-172.3178-179.2-179.40112D144 R153 A154D144-K150 WeakPolarHBondContact OD2-CB 3.1Å; D144-K150 PolarHBondContact OD2-N 3.26Å; K150-R153 PolarHBondContact O-N 3.12Å; K150-A154 WeakPolarHBondContact O-CB 3.09Å; K150-A154 PolarHBondContact O-N 3.07Å
151R93.2Very high90.1Very high116 Ų11680.2 Ų80.244%0.43839%0.392SS..Hα-helixtrans-69.2-36.9179.1-67.4176.765.5-160.4-4.1112.7G147 L148 Y149 A154 G155 E156 I157G147-R151 WeakPolarHBondContact O-CD 3.45Å; G147-R151 WeakPolarHBondContact O-CG 3.33Å; G147-R151 PolarHBondContact O-N 3.26Å; L148-R151 PolarHBondContact O-N 2.96Å; Y149-R151 VanDerWaalsContact C-N 3.32Å; Y149-R151 PolarHBondContact O-N 3.12Å; R151-A154 PolarHBondContact O-N 3.39Å; R151-G155 PolarHBondContact O-N 3.14Å; R151-E156 HydrophobicContact CB-CB 4.24Å; R151-E156 VanDerWaalsContact CG-OE2 3.28Å; R151-E156 WeakPolarHBondContact CG-OE2 3.22Å; R151-E156 IonicContact NE-OE2 3.4Å; R151-E156 PolarHBondContact NE-OE2 2.87Å; R151-E156 WeakPolarHBondContact O-CB 3.48Å; R151-E156 PolarHBondContact O-N 2.84Å; R151-I157 HydrophobicContact CB-CD1 3.74Å; R151-I157 HydrophobicContact CB-CG1 3.95Å; R151-I157 PolarHBondContact O-N 2.9Å
152A92Very high89.7Confident8 Ų878.7 Ų78.77%0.06639%0.392CS..Hα-helixtrans-64.6-44.3173.800000111.9L148 Y149 A154 G155 I157 F160L148-A152 VanDerWaalsContact O-CB 3.26Å; L148-A152 WeakPolarHBondContact O-CB 3.33Å; L148-A152 PolarHBondContact O-N 3.2Å; Y149-A152 PolarHBondContact O-N 2.95Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.5Å; A152-G155 PolarHBondContact O-N 2.88Å; A152-I157 HydrophobicContact CB-CB 4.36Å; A152-F160 HydrophobicContact CB-CB 3.56Å; A152-F160 HydrophobicContact CB-CD1 3.76Å; A152-F160 HydrophobicContact CB-CD2 4.3Å; A152-F160 HydrophobicContact CB-CG 3.61Å
153R92.5Very high89.4Confident155 Ų15572.7 Ų72.759%0.58537%0.372SS*.Hα-helixtrans-66-31.8175.8-70.3-70-171.9-169.8-3112.6E141 Y149 K150 G155 I163E141-R153 IonicContact OE1-CZ 3.38Å; E141-R153 IonicContact OE1-NE 3.16Å; E141-R153 PolarHBondContact OE1-NE 2.57Å; E141-R153 VanDerWaalsContact OE1-NE 3.16Å; E141-R153 IonicContact OE1-NH2 2.74Å; E141-R153 PolarHBondContact OE1-NH2 2.83Å; Y149-R153 WeakPolarHBondContact O-CB 3.45Å; Y149-R153 WeakPolarHBondContact O-CG 3.48Å; Y149-R153 PolarHBondContact O-N 3.46Å; K150-R153 PolarHBondContact O-N 3.12Å; R153-G155 PolarHBondContact O-N 3.4Å; R153-I163 VanDerWaalsContact CZ-CD1 3.49Å; R153-I163 VanDerWaalsContact NH2-CD1 3.3Å
154A93Very high89.2Confident67 Ų6771.4 Ų71.455%0.55438%0.378SS*.THydrogen-bonded Turntrans-74.1-5171.700000113.8K150 R151 A152 E156K150-A154 WeakPolarHBondContact O-CB 3.09Å; K150-A154 PolarHBondContact O-N 3.07Å; R151-A154 PolarHBondContact O-N 3.39Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.5Å; A154-E156 VanDerWaalsContact C-N 3.3Å; A154-E156 HydrophobicContact CB-CG 4.2Å; A154-E156 PolarHBondContact O-N 2.93Å
155G89.4Confident88.9Confident49 Ų4970.9 Ų70.951%0.50538%0.378SS..THydrogen-bonded Turntrans79.95.2-178.900000114.9R151 A152 R153R151-G155 PolarHBondContact O-N 3.14Å; A152-G155 PolarHBondContact O-N 2.88Å; R153-G155 PolarHBondContact O-N 3.4Å
156E91.3Very high89.2Confident124 Ų12470.9 Ų70.958%0.57937%0.373SS*.SBendtrans-73.2-34.3179.3-60.3174.6-161.800112.4R151 A154R151-E156 HydrophobicContact CB-CB 4.24Å; R151-E156 VanDerWaalsContact CG-OE2 3.28Å; R151-E156 WeakPolarHBondContact CG-OE2 3.22Å; R151-E156 IonicContact NE-OE2 3.4Å; R151-E156 PolarHBondContact NE-OE2 2.87Å; R151-E156 WeakPolarHBondContact O-CB 3.48Å; R151-E156 PolarHBondContact O-N 2.84Å; A154-E156 VanDerWaalsContact C-N 3.3Å; A154-E156 HydrophobicContact CB-CG 4.2Å; A154-E156 PolarHBondContact O-N 2.93Å
157I85.8Confident89.5Confident39 Ų3966.6 Ų66.620%0.235%0.353CS..SBendtrans-106.8106.8175.9-56.3175.7000108.4L148 R151 A152 F160L148-I157 HydrophobicContact CB-CD1 4.39Å; L148-I157 HydrophobicContact CD2-CD1 3.73Å; R151-I157 HydrophobicContact CB-CD1 3.74Å; R151-I157 HydrophobicContact CB-CG1 3.95Å; R151-I157 PolarHBondContact O-N 2.9Å; A152-I157 HydrophobicContact CB-CB 4.36Å; I157-F160 HydrophobicContact CG2-CB 4.21Å; I157-F160 HydrophobicContact CG2-CD2 3.97Å
158K85.8Confident89.7Confident175 Ų17568.9 Ų68.976%0.76136%0.357SS*.THydrogen-bonded Turntrans-75.3153174.8-61.4-175.5-179.5-178.70110.9F160K158-F160 VanDerWaalsContact C-N 3.26Å; K158-F160 PolarHBondContact O-N 3.13Å
159N84Confident89.8Confident81 Ų8171.7 Ų71.743%0.43337%0.372SS..THydrogen-bonded Turntrans56.333.1175.9-57.6-13.7000114.3R81 T161 S164 A165R81-N159 PolarHBondContact NH1-O 3.21Å; R81-N159 PolarHBondContact NH2-O 3.2Å; N159-T161 PolarHBondContact O-N 3.23Å; N159-S164 WeakPolarHBondContact CA-OG 3.47Å; N159-S164 PolarHBondContact N-OG 2.62Å; N159-A165 HydrophobicContact CB-CB 4.46Å; N159-A165 VanDerWaalsContact O-CB 3.31Å; N159-A165 WeakPolarHBondContact O-CB 3.42Å
160F88.5Confident89.9Confident20 Ų2072 Ų729%0.08838%0.375CS..  trans-72.8123.8-179.8-168.4-98.9000111.2L148 Y149 A152 I157 K158 G162 I163 S164 A165L148-F160 HydrophobicContact CB-CE2 3.67Å; L148-F160 HydrophobicContact CB-CZ 3.75Å; L148-F160 HydrophobicContact CD1-CE2 4.2Å; L148-F160 HydrophobicContact CG-CE2 4.48Å; Y149-F160 HydrophobicContact CD1-CD1 4.45Å; Y149-F160 AromaticContact CD1-CE1 3.71Å; Y149-F160 HydrophobicContact CD1-CE1 3.71Å; Y149-F160 HydrophobicContact CD2-CE1 4.47Å; Y149-F160 HydrophobicContact CE1-CD1 4.48Å; Y149-F160 AromaticContact CE1-CE1 3.64Å; Y149-F160 HydrophobicContact CE1-CE1 3.64Å; Y149-F160 HydrophobicContact CE2-CE1 4.38Å; Y149-F160 HydrophobicContact CG-CE1 4.16Å; Y149-F160 AromaticContact CZ-CE1 3.98Å; A152-F160 HydrophobicContact CB-CB 3.56Å; A152-F160 HydrophobicContact CB-CD1 3.76Å; A152-F160 HydrophobicContact CB-CD2 4.3Å; A152-F160 HydrophobicContact CB-CG 3.61Å; I157-F160 HydrophobicContact CG2-CB 4.21Å; I157-F160 HydrophobicContact CG2-CD2 3.97Å; K158-F160 VanDerWaalsContact C-N 3.26Å; K158-F160 PolarHBondContact O-N 3.13Å; F160-G162 PolarHBondContact O-N 3.04Å; F160-I163 HydrophobicContact CD1-CB 4.24Å; F160-I163 HydrophobicContact CD1-CG1 3.65Å; F160-I163 HydrophobicContact CE1-CG1 4.27Å; F160-I163 PolarHBondContact O-N 2.62Å; F160-S164 PolarHBondContact N-OG 3.15Å; F160-S164 PolarHBondContact O-N 3.32Å; F160-A165 PolarHBondContact O-N 2.78Å
161T88Confident90Very high9 Ų969.3 Ų69.36%0.05537%0.372CS..BIsolated β-bridgetrans-59.6128.7-177.4-56.30000111.9L35 R81 I107 P109 N159 I163 Y167L35-T161 HydrophobicContact CD2-CG2 4.4Å; R81-T161 PolarHBondContact NH1-OG1 3.42Å; I107-T161 HydrophobicContact CG2-CG2 3.69Å; P109-T161 HydrophobicContact CB-CG2 3.96Å; N159-T161 PolarHBondContact O-N 3.23Å; T161-I163 VanDerWaalsContact C-N 3.35Å; T161-Y167 HydrophobicContact CG2-CD2 4.01Å; T161-Y167 HydrophobicContact CG2-CG 4.36Å
162G86.4Confident90.1Very high27 Ų2769.9 Ų69.928%0.27838%0.384SS..THydrogen-bonded Turntrans89.6-11.1-175.500000114.5I137 F160 A165I137-G162 WeakPolarHBondContact CD1-O 3.19Å; F160-G162 PolarHBondContact O-N 3.04Å; G162-A165 PolarHBondContact N-O 3.4Å
163I87.8Confident90.4Very high42 Ų4270.5 Ų70.522%0.21539%0.388CS..THydrogen-bonded Turntrans-117.9-64.3179.9-53.6-66000110.9I137 E141 Y149 R153 F160 T161I137-I163 HydrophobicContact CD1-CD1 3.95Å; E141-I163 WeakPolarHBondContact OE1-CD1 3.43Å; Y149-I163 HydrophobicContact CD1-CD1 3.89Å; Y149-I163 HydrophobicContact CD1-CG1 4.05Å; Y149-I163 HydrophobicContact CE1-CD1 4.09Å; Y149-I163 HydrophobicContact CE1-CG1 4.23Å; R153-I163 VanDerWaalsContact CZ-CD1 3.49Å; R153-I163 VanDerWaalsContact NH2-CD1 3.3Å; F160-I163 HydrophobicContact CD1-CB 4.24Å; F160-I163 HydrophobicContact CD1-CG1 3.65Å; F160-I163 HydrophobicContact CE1-CG1 4.27Å; F160-I163 PolarHBondContact O-N 2.62Å; T161-I163 VanDerWaalsContact C-N 3.35Å
164S86.4Confident90.7Very high71 Ų7166.5 Ų66.550%0.49738%0.378SS..THydrogen-bonded Turntrans-113.3-12.3179.746.60000113.2N159 F160N159-S164 WeakPolarHBondContact CA-OG 3.47Å; N159-S164 PolarHBondContact N-OG 2.62Å; F160-S164 PolarHBondContact N-OG 3.15Å; F160-S164 PolarHBondContact O-N 3.32Å
165A85.5Confident90.9Very high20 Ų2064.8 Ų64.817%0.16536%0.359CS..BIsolated β-bridgetrans-120150.2170.400000111N159 F160 G162N159-A165 HydrophobicContact CB-CB 4.46Å; N159-A165 VanDerWaalsContact O-CB 3.31Å; N159-A165 WeakPolarHBondContact O-CB 3.42Å; F160-A165 PolarHBondContact O-N 2.78Å; G162-A165 PolarHBondContact N-O 3.4Å
166I88Confident91.3Very high126 Ų12667 Ų6765%0.64636%0.358SS*.  trans-73.5148.9-175.6-61.5170.3000110.8E168I166-E168 HydrophobicContact CG2-CG 4.19Å
167Y92.9Very high91.6Very high29 Ų2961.1 Ų61.111%0.11433%0.331CS..  trans-122118.2164.7178.2-94.2000108.1T33 G34 L35 I107 P109 F132 T161 N169T33-Y167 PolarHBondContact OG1-OH 2.96Å; G34-Y167 VanDerWaalsContact CA-OH 3.22Å; G34-Y167 WeakPolarHBondContact CA-OH 3.3Å; G34-Y167 PolarHBondContact N-OH 2.88Å; G34-Y167 VanDerWaalsContact N-OH 3.09Å; L35-Y167 HydrophobicContact CD2-CD1 4.1Å; L35-Y167 HydrophobicContact CD2-CD2 4.06Å; L35-Y167 HydrophobicContact CD2-CG 3.68Å; I107-Y167 HydrophobicContact CG2-CD2 4.24Å; I107-Y167 HydrophobicContact CG2-CE2 4.44Å; I107-Y167 WeakPolarHBondContact O-CE2 3.29Å; P109-Y167 HydrophobicContact CB-CD2 4.24Å; F132-Y167 WeakPolarHBondContact CD2-OH 3.39Å; F132-Y167 AromaticContact CE2-CE1 3.73Å; F132-Y167 HydrophobicContact CE2-CE1 3.73Å; F132-Y167 AromaticContact CE2-CZ 3.95Å; F132-Y167 VanDerWaalsContact CE2-OH 3.3Å; F132-Y167 WeakPolarHBondContact CE2-OH 3.15Å; F132-Y167 HydrophobicContact CZ-CE1 4.18Å; T161-Y167 HydrophobicContact CG2-CD2 4.01Å; T161-Y167 HydrophobicContact CG2-CG 4.36Å; Y167-N169 VanDerWaalsContact CD1-OD1 3.29Å; Y167-N169 WeakPolarHBondContact CD1-OD1 3.42Å; Y167-N169 WeakPolarHBondContact CE1-OD1 3.49Å; Y167-N169 PolarHBondContact O-N 3.35Å
168E94.6Very high92Very high74 Ų7460.9 Ų60.935%0.34633%0.33SS..  trans-88.5106179-62.4171.6177.100108.9P109 F110 E111 R114 I166P109-E168 WeakPolarHBondContact O-CB 3.17Å; P109-E168 PolarHBondContact O-N 2.91Å; F110-E168 WeakPolarHBondContact CA-OE2 3.46Å; E111-E168 HydrophobicContact CB-CB 4.35Å; E111-E168 WeakPolarHBondContact CB-OE2 3.36Å; E111-E168 PolarHBondContact N-OE2 2.78Å; R114-E168 PolarHBondContact NH1-O 3.01Å; R114-E168 PolarHBondContact NH2-O 3.17Å; I166-E168 HydrophobicContact CG2-CG 4.19Å
169N94.6Very high92.3Very high102 Ų10253.5 Ų53.555%0.54530%0.3SS..  trans-55.9133176.3-73.4-17.5000110.3F132 Y167 T171F132-N169 HydrophobicContact CE1-CB 4.34Å; F132-N169 HydrophobicContact CZ-CB 4.28Å; F132-N169 WeakPolarHBondContact CZ-OD1 3.39Å; Y167-N169 VanDerWaalsContact CD1-OD1 3.29Å; Y167-N169 WeakPolarHBondContact CD1-OD1 3.42Å; Y167-N169 WeakPolarHBondContact CE1-OD1 3.49Å; Y167-N169 PolarHBondContact O-N 3.35Å; N169-T171 PolarHBondContact O-N 2.91Å
170P95.9Very high92.7Very high12 Ų1253.9 Ų53.98%0.07830%0.299CS..  trans-54.8127.8172.6-27.135.8000111.8T33 E130 F132 P173T33-P170 HydrophobicContact CG2-CG 3.62Å; E130-P170 WeakPolarHBondContact OE1-CG 3.35Å; F132-P170 HydrophobicContact CB-CB 4.4Å; F132-P170 HydrophobicContact CB-CG 3.93Å; F132-P170 HydrophobicContact CD1-CG 4.28Å; F132-P170 HydrophobicContact CD2-CG 4.05Å; F132-P170 HydrophobicContact CG-CB 4.47Å; F132-P170 HydrophobicContact CG-CG 3.82Å; P170-P173 HydrophobicContact CB-CB 3.89Å; P170-P173 HydrophobicContact CB-CG 4.04Å
171T95.1Very high92.8Very high109 Ų10958.6 Ų58.667%0.66932%0.324SS*.SBendtrans-81.4-30.4178.757.50000112.6E111 N169E111-T171 WeakPolarHBondContact OE1-CG2 3.41Å; E111-T171 PolarHBondContact OE1-OG1 2.91Å; N169-T171 PolarHBondContact O-N 2.91Å
172N95.4Very high92.9Very high129 Ų12962.8 Ų62.869%0.6934%0.34SS*.SBendtrans-13961.6178.5-170.347.9000112.8
173P97.3Very high93Very high21 Ų2164.3 Ų64.314%0.13635%0.346CS..  trans-69.7150.3174.831.2-34.5000111.3E130 F132 P170 L175 I176E130-P173 HydrophobicContact CG-CB 4.34Å; F132-P173 HydrophobicContact CB-CB 3.85Å; F132-P173 HydrophobicContact CB-CG 4.1Å; P170-P173 HydrophobicContact CB-CB 3.89Å; P170-P173 HydrophobicContact CB-CG 4.04Å; P173-L175 VanDerWaalsContact C-N 3.32Å; P173-I176 HydrophobicContact CB-CG1 4.32Å; P173-I176 HydrophobicContact CG-CD1 3.75Å; P173-I176 HydrophobicContact CG-CG1 3.42Å; P173-I176 VanDerWaalsContact CG-CG1 3.42Å
174D98.2Very high93Very high71 Ų7165.5 Ų65.538%0.3836%0.355SS..SBendtrans-73.3-26.7178.3-60.9-79000112.2R118 F129 E130 M194R118-D174 IonicContact CZ-OD2 3.74Å; R118-D174 VanDerWaalsContact CZ-OD2 3.28Å; R118-D174 IonicContact NH1-OD1 2.55Å; R118-D174 IonicContact NH1-OD2 3.9Å; R118-D174 PolarHBondContact NH1-OD2 2.99Å; R118-D174 IonicContact NH2-OD2 3.22Å; R118-D174 PolarHBondContact NH2-OD2 3.15Å; F129-D174 WeakPolarHBondContact CA-OD2 3.34Å; F129-D174 HydrophobicContact CB-CB 4.27Å; F129-D174 HydrophobicContact CD1-CB 4.05Å; E130-D174 PolarHBondContact N-OD2 3.36Å; E130-D174 PolarHBondContact O-N 2.69Å; D174-M194 HydrophobicContact CB-SD 4.15Å
175L98Very high92.9Very high30 Ų3066.1 Ų66.116%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-149138.7174.2-179.564.3000110.7E130 V131 F132 P173 L177 Q190 M194E130-L175 PolarHBondContact O-N 3.04Å; V131-L175 CarbonylContact C-O 3.52Å; V131-L175 WeakPolarHBondContact CA-O 3.34Å; V131-L175 HydrophobicContact CG1-CB 4.24Å; V131-L175 HydrophobicContact CG1-CD2 4.15Å; V131-L175 HydrophobicContact CG1-CG 4.3Å; V131-L175 HydrophobicContact CG2-CB 4.25Å; F132-L175 PolarHBondContact N-O 3.06Å; P173-L175 VanDerWaalsContact C-N 3.32Å; L175-L177 HydrophobicContact CD1-CD2 4.36Å; L175-L177 HydrophobicContact CD2-CD1 4.11Å; L175-L177 HydrophobicContact CD2-CD2 4.09Å; L175-L177 HydrophobicContact CD2-CG 4.1Å; L175-L177 HydrophobicContact CG-CD2 4.13Å; L175-L177 HydrophobicContact CG-CG 4.07Å; L175-Q190 HydrophobicContact CD1-CB 4.48Å; L175-Q190 HydrophobicContact CD2-CB 4.19Å; L175-M194 HydrophobicContact CB-SD 3.75Å; L175-M194 HydrophobicContact CD2-SD 4.31Å
176I97.9Very high92.9Very high96 Ų9669.6 Ų69.649%0.49236%0.363SS..EExtended strand (participates in β ladder)trans-114.4128174.7-56.5175.8000108.8F132 A134 P173F132-I176 HydrophobicContact CD1-CG2 4.3Å; F132-I176 WeakPolarHBondContact O-CA 3.47Å; A134-I176 HydrophobicContact CB-CG2 3.74Å; P173-I176 HydrophobicContact CB-CG1 4.32Å; P173-I176 HydrophobicContact CG-CD1 3.75Å; P173-I176 HydrophobicContact CG-CG1 3.42Å; P173-I176 VanDerWaalsContact CG-CG1 3.42Å
177L97.3Very high93.2Very high0 Ų063.7 Ų63.70%033%0.333CS..EExtended strand (participates in β ladder)trans-125.6130179.6-63.6175.3000110.6L43 V131 F132 L133 A134 L175 C187 Q190L43-L177 HydrophobicContact CD2-CD1 3.57Å; V131-L177 HydrophobicContact CG1-CD1 3.71Å; V131-L177 HydrophobicContact CG1-CG 4.17Å; F132-L177 PolarHBondContact O-N 3.27Å; L133-L177 CarbonylContact C-O 3.41Å; L133-L177 VanDerWaalsContact CA-O 3.27Å; L133-L177 WeakPolarHBondContact CA-O 3.47Å; A134-L177 PolarHBondContact N-O 3.12Å; L175-L177 HydrophobicContact CD1-CD2 4.36Å; L175-L177 HydrophobicContact CD2-CD1 4.11Å; L175-L177 HydrophobicContact CD2-CD2 4.09Å; L175-L177 HydrophobicContact CD2-CG 4.1Å; L175-L177 HydrophobicContact CG-CD2 4.13Å; L175-L177 HydrophobicContact CG-CG 4.07Å; L177-C187 HydrophobicContact CD1-CB 3.96Å; L177-Q190 HydrophobicContact CD2-CB 3.97Å; L177-Q190 HydrophobicContact CD2-CG 4.41Å
178N94.3Very high93.1Very high34 Ų3462.3 Ų62.318%0.18233%0.328CS..  trans-105.1107.6169.6-174.4-15.9000109.8E180 L181 Y182N178-E180 PolarHBondContact O-N 3.02Å; N178-E180 VanDerWaalsContact OD1-CB 3.29Å; N178-E180 WeakPolarHBondContact OD1-CB 3.5Å; N178-E180 PolarHBondContact OD1-N 3.43Å; N178-L181 HydrophobicContact CB-CB 4.35Å; N178-L181 HydrophobicContact CB-CD1 4.13Å; N178-L181 HydrophobicContact CB-CG 4.22Å; N178-L181 PolarHBondContact O-N 3.43Å; N178-L181 VanDerWaalsContact O-N 3.12Å; N178-Y182 WeakPolarHBondContact O-CD2 3.44Å; N178-Y182 PolarHBondContact O-N 3.45Å
179T91.7Very high92.8Very high21 Ų2160.5 Ų60.513%0.12932%0.322CS..THydrogen-bonded Turntrans-77.81.7-177.672.50000114.1A38 L133 T135 R143A38-T179 VanDerWaalsContact O-CG2 3.23Å; A38-T179 WeakPolarHBondContact O-CG2 3.16Å; A38-T179 PolarHBondContact O-OG1 3.47Å; L133-T179 HydrophobicContact CD2-CG2 3.89Å; L133-T179 HydrophobicContact CG-CG2 4.29Å; T135-T179 PolarHBondContact OG1-N 2.96Å; T135-T179 PolarHBondContact OG1-OG1 3.48Å; R143-T179 PolarHBondContact NH1-OG1 3.36Å; R143-T179 PolarHBondContact NH2-O 3.36Å
180E92.2Very high92.6Very high88 Ų8857.7 Ų57.741%0.41131%0.305SS..THydrogen-bonded Turntrans-82.5-36164-176.8170.9-133.300111.4V139 R142 N178V139-E180 HydrophobicContact CG1-CB 4.41Å; V139-E180 HydrophobicContact CG2-CB 4.46Å; V139-E180 HydrophobicContact CG2-CG 4.33Å; V139-E180 WeakPolarHBondContact CG2-OE1 3.26Å; V139-E180 WeakPolarHBondContact CG2-OE2 3.49Å; R142-E180 IonicContact NH2-OE1 3.22Å; R142-E180 PolarHBondContact NH2-OE1 2.97Å; R142-E180 VanDerWaalsContact NH2-OE1 3.14Å; N178-E180 PolarHBondContact O-N 3.02Å; N178-E180 VanDerWaalsContact OD1-CB 3.29Å; N178-E180 WeakPolarHBondContact OD1-CB 3.5Å; N178-E180 PolarHBondContact OD1-N 3.43Å
181L91.3Very high92.6Very high120 Ų12057.1 Ų57.163%0.62830%0.302SS*.THydrogen-bonded Turntrans-89.7-34.3-175.7-60.7179.5000112.7N178N178-L181 HydrophobicContact CB-CB 4.35Å; N178-L181 HydrophobicContact CB-CD1 4.13Å; N178-L181 HydrophobicContact CB-CG 4.22Å; N178-L181 PolarHBondContact O-N 3.43Å; N178-L181 VanDerWaalsContact O-N 3.12Å
182Y90.1Very high92.4Very high96 Ų9652.2 Ų52.238%0.37627%0.272SS..SBendtrans-110.8137.8-177.7-57.1-62.2000111N178 E186N178-Y182 WeakPolarHBondContact O-CD2 3.44Å; N178-Y182 PolarHBondContact O-N 3.45Å; Y182-E186 HydrophobicContact CD1-CB 4.45Å
183S88.1Confident92.1Very high60 Ų6051 Ų5142%0.4226%0.262SS..  trans-64.5160.2166.766.30000111.2Q185 E186 C187S183-Q185 PolarHBondContact O-N 3.06Å; S183-E186 VanDerWaalsContact CB-OE2 3.31Å; S183-E186 WeakPolarHBondContact CB-OE2 3.42Å; S183-E186 PolarHBondContact N-OE2 3.1Å; S183-E186 PolarHBondContact O-N 3.07Å; S183-E186 VanDerWaalsContact O-N 3.14Å; S183-E186 VanDerWaalsContact OG-CD 3.29Å; S183-E186 WeakPolarHBondContact OG-CG 3.31Å; S183-E186 PolarHBondContact OG-N 3.22Å; S183-E186 PolarHBondContact OG-OE2 2.95Å; S183-C187 PolarHBondContact O-N 3.33Å
184V89.2Confident92Very high66 Ų6651.1 Ų51.140%0.426%0.261SS..Hα-helixtrans-53.7-40.2176.3177.10000111.3T42 A46 C187 V188T42-V184 HydrophobicContact CG2-CG1 4.46Å; T42-V184 HydrophobicContact CG2-CG2 3.89Å; A46-V184 HydrophobicContact CB-CG1 3.43Å; A46-V184 VanDerWaalsContact CB-CG1 3.43Å; V184-C187 WeakPolarHBondContact O-CB 3.33Å; V184-C187 PolarHBondContact O-N 3.43Å; V184-V188 HydrophobicContact CG1-CG2 4.48Å; V184-V188 WeakPolarHBondContact O-CG2 3.14Å; V184-V188 PolarHBondContact O-N 3.46Å
185Q84.2Confident91.8Very high85 Ų8547.8 Ų47.840%0.39724%0.243SC..Hα-helixtrans-69.6-38.1-178.6-169.162.621.100112.8S183 C187 V188 T189S183-Q185 PolarHBondContact O-N 3.06Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; Q185-V188 PolarHBondContact O-N 2.89Å; Q185-T189 WeakPolarHBondContact O-CB 3.38Å; Q185-T189 PolarHBondContact O-N 3.35Å; Q185-T189 PolarHBondContact O-OG1 3.42Å
186E85.2Confident91.4Very high93 Ų9347 Ų4744%0.43524%0.241SC..Hα-helixtrans-65.7-39.2173.9-72.7161.4141.400111Y182 S183 T189 Q190Y182-E186 HydrophobicContact CD1-CB 4.45Å; S183-E186 VanDerWaalsContact CB-OE2 3.31Å; S183-E186 WeakPolarHBondContact CB-OE2 3.42Å; S183-E186 PolarHBondContact N-OE2 3.1Å; S183-E186 PolarHBondContact O-N 3.07Å; S183-E186 VanDerWaalsContact O-N 3.14Å; S183-E186 VanDerWaalsContact OG-CD 3.29Å; S183-E186 WeakPolarHBondContact OG-CG 3.31Å; S183-E186 PolarHBondContact OG-N 3.22Å; S183-E186 PolarHBondContact OG-OE2 2.95Å; E186-T189 PolarHBondContact O-N 3.06Å; E186-Q190 WeakPolarHBondContact O-CG 3.25Å; E186-Q190 PolarHBondContact O-N 2.75Å; E186-Q190 VanDerWaalsContact O-N 3.08Å
187C93.5Very high91Very high2 Ų251.9 Ų51.91%0.01426%0.259CS..Hα-helixtrans-62.9-45.4172.7-70.70000112.4L43 L177 S183 V184 Q185 T189 Q190 C191L43-C187 HydrophobicContact CD1-CB 3.54Å; L43-C187 HydrophobicContact CD2-CB 3.99Å; L43-C187 HydrophobicContact CG-CB 4.4Å; L177-C187 HydrophobicContact CD1-CB 3.96Å; S183-C187 PolarHBondContact O-N 3.33Å; V184-C187 WeakPolarHBondContact O-CB 3.33Å; V184-C187 PolarHBondContact O-N 3.43Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; C187-T189 VanDerWaalsContact C-N 3.29Å; C187-T189 PolarHBondContact O-N 2.77Å; C187-Q190 PolarHBondContact O-N 3.02Å; C187-C191 PolarHBondContact O-N 3.08Å; C187-C191 PolarHBondContact O-SG 3.18Å; C187-C191 VanDerWaalsContact O-SG 3.41Å
188V91.6Very high90.8Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-57.3-45174.8167.80000110.5L43 A46 L47 H50 V184 Q185 Q190 C191 V192L43-V188 HydrophobicContact CD1-CG2 3.69Å; A46-V188 HydrophobicContact CB-CG2 3.76Å; L47-V188 HydrophobicContact CB-CG2 4.33Å; L47-V188 HydrophobicContact CD1-CG1 4.05Å; H50-V188 HydrophobicContact CB-CG1 3.74Å; H50-V188 WeakPolarHBondContact ND1-CG1 3.44Å; V184-V188 HydrophobicContact CG1-CG2 4.48Å; V184-V188 WeakPolarHBondContact O-CG2 3.14Å; V184-V188 PolarHBondContact O-N 3.46Å; Q185-V188 PolarHBondContact O-N 2.89Å; V188-Q190 VanDerWaalsContact C-N 3.34Å; V188-Q190 PolarHBondContact O-N 3.13Å; V188-C191 PolarHBondContact O-N 2.88Å; V188-V192 HydrophobicContact CG1-CG2 4.36Å; V188-V192 VanDerWaalsContact O-CG2 3.31Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 3.47Å
189T86.7Confident90.5Very high36 Ų3655 Ų5522%0.22129%0.294CS..Hα-helixtrans-59.1-45179.4-56.80000111.4Q185 E186 C187 V192 Q193Q185-T189 WeakPolarHBondContact O-CB 3.38Å; Q185-T189 PolarHBondContact O-N 3.35Å; Q185-T189 PolarHBondContact O-OG1 3.42Å; E186-T189 PolarHBondContact O-N 3.06Å; C187-T189 VanDerWaalsContact C-N 3.29Å; C187-T189 PolarHBondContact O-N 2.77Å; T189-V192 PolarHBondContact O-N 2.84Å; T189-Q193 WeakPolarHBondContact O-CG 3.4Å; T189-Q193 PolarHBondContact O-N 3.11Å
190Q92.1Very high90.4Very high43 Ų4354.6 Ų54.620%0.20129%0.291CS..Hα-helixtrans-64.5-40.4177-70.7177.666.600112.6L175 L177 E186 C187 V188 V192 Q193 M194L175-Q190 HydrophobicContact CD1-CB 4.48Å; L175-Q190 HydrophobicContact CD2-CB 4.19Å; L177-Q190 HydrophobicContact CD2-CB 3.97Å; L177-Q190 HydrophobicContact CD2-CG 4.41Å; E186-Q190 WeakPolarHBondContact O-CG 3.25Å; E186-Q190 PolarHBondContact O-N 2.75Å; E186-Q190 VanDerWaalsContact O-N 3.08Å; C187-Q190 PolarHBondContact O-N 3.02Å; V188-Q190 VanDerWaalsContact C-N 3.34Å; V188-Q190 PolarHBondContact O-N 3.13Å; Q190-V192 VanDerWaalsContact C-N 3.35Å; Q190-V192 PolarHBondContact O-N 3.22Å; Q190-Q193 PolarHBondContact O-N 3.41Å; Q190-M194 PolarHBondContact O-N 3.03Å
191C95.3Very high90.2Very high0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-61.7-42.4174.7-69.30000112.1L47 C187 V188 M194 L195L47-C191 HydrophobicContact CD1-CB 4.18Å; L47-C191 HydrophobicContact CD2-CB 3.81Å; C187-C191 PolarHBondContact O-N 3.08Å; C187-C191 PolarHBondContact O-SG 3.18Å; C187-C191 VanDerWaalsContact O-SG 3.41Å; V188-C191 PolarHBondContact O-N 2.88Å; C191-M194 WeakPolarHBondContact O-CB 3.4Å; C191-M194 PolarHBondContact O-N 3.32Å; C191-L195 WeakPolarHBondContact O-CG 3.47Å; C191-L195 PolarHBondContact O-N 3.48Å; C191-L195 VanDerWaalsContact O-N 3.07Å
192V90.6Very high89.4Confident6 Ų646.2 Ų46.24%0.03625%0.251CS..Hα-helixtrans-66.5-41.4178.3173.70000110.9L47 H50 V188 T189 Q190 M194 L195 A196 Y204L47-V192 HydrophobicContact CD1-CG2 3.69Å; H50-V192 WeakPolarHBondContact NE2-CG2 3.45Å; V188-V192 HydrophobicContact CG1-CG2 4.36Å; V188-V192 VanDerWaalsContact O-CG2 3.31Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 3.47Å; T189-V192 PolarHBondContact O-N 2.84Å; Q190-V192 VanDerWaalsContact C-N 3.35Å; Q190-V192 PolarHBondContact O-N 3.22Å; V192-M194 VanDerWaalsContact C-N 3.33Å; V192-M194 PolarHBondContact O-N 3.19Å; V192-L195 PolarHBondContact O-N 3.13Å; V192-A196 VanDerWaalsContact O-CB 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.19Å; V192-A196 PolarHBondContact O-N 3.08Å; V192-Y204 HydrophobicContact CG1-CD2 4.06Å
193Q90Very high88.3Confident104 Ų10445.1 Ų45.149%0.48625%0.252SS..Hα-helixtrans-60.9-39.8174.6-74.5173.3-15.900112.5T189 Q190 A196 K197T189-Q193 WeakPolarHBondContact O-CG 3.4Å; T189-Q193 PolarHBondContact O-N 3.11Å; Q190-Q193 PolarHBondContact O-N 3.41Å; Q193-A196 PolarHBondContact O-N 3.46Å; Q193-K197 WeakPolarHBondContact O-CB 3.45Å; Q193-K197 PolarHBondContact O-N 3.43Å
194M94.7Very high87Confident23 Ų2343.8 Ų43.811%0.11324%0.238CC..Hα-helixtrans-60.8-49.6174.1178.5-165.772.700111.4V30 F129 V131 D174 L175 Q190 C191 V192 A196 K197 A198V30-M194 HydrophobicContact CG1-CE 4.42Å; V30-M194 HydrophobicContact CG2-CE 4.48Å; F129-M194 HydrophobicContact CB-CE 3.47Å; F129-M194 VanDerWaalsContact CB-CE 3.47Å; F129-M194 HydrophobicContact CB-SD 3.9Å; F129-M194 HydrophobicContact CD1-CE 3.73Å; F129-M194 HydrophobicContact CD1-CG 3.9Å; F129-M194 HydrophobicContact CD1-SD 3.63Å; F129-M194 HydrophobicContact CD2-CE 4.24Å; F129-M194 HydrophobicContact CE1-CG 4.24Å; F129-M194 HydrophobicContact CG-CE 3.53Å; F129-M194 HydrophobicContact CG-SD 3.99Å; V131-M194 HydrophobicContact CG2-CE 4.1Å; V131-M194 HydrophobicContact CG2-SD 4.28Å; D174-M194 HydrophobicContact CB-SD 4.15Å; L175-M194 HydrophobicContact CB-SD 3.75Å; L175-M194 HydrophobicContact CD2-SD 4.31Å; Q190-M194 PolarHBondContact O-N 3.03Å; C191-M194 WeakPolarHBondContact O-CB 3.4Å; C191-M194 PolarHBondContact O-N 3.32Å; V192-M194 VanDerWaalsContact C-N 3.33Å; V192-M194 PolarHBondContact O-N 3.19Å; M194-A196 VanDerWaalsContact C-N 3.29Å; M194-A196 PolarHBondContact O-N 3.26Å; M194-K197 PolarHBondContact O-N 3.14Å; M194-A198 PolarHBondContact O-N 3.27Å
195L94.3Very high85.6Confident0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-62.6-37.6177.5-67.6172.2000111.9V30 I101 F129 C191 V192 A198 G199 L200 V201V30-L195 HydrophobicContact CG2-CD1 4.36Å; V30-L195 HydrophobicContact CG2-CD2 3.9Å; I101-L195 HydrophobicContact CD1-CD1 4.27Å; I101-L195 HydrophobicContact CG2-CD1 4.46Å; F129-L195 HydrophobicContact CD2-CD2 4.1Å; F129-L195 HydrophobicContact CE2-CD2 4.06Å; C191-L195 WeakPolarHBondContact O-CG 3.47Å; C191-L195 PolarHBondContact O-N 3.48Å; C191-L195 VanDerWaalsContact O-N 3.07Å; V192-L195 PolarHBondContact O-N 3.13Å; L195-A198 PolarHBondContact O-N 3.09Å; L195-G199 PolarHBondContact O-N 3.26Å; L195-L200 HydrophobicContact CD2-CD1 4.26Å; L195-L200 PolarHBondContact O-N 3.45Å; L195-L200 VanDerWaalsContact O-N 3.08Å; L195-V201 HydrophobicContact CB-CG1 4.26Å; L195-V201 HydrophobicContact CB-CG2 3.56Å; L195-V201 PolarHBondContact O-N 3.46Å
196A88.8Confident84.7Confident15 Ų1548.3 Ų48.312%0.12426%0.259CS..Hα-helixtrans-67.5-45.4179.200000112.4V192 Q193 M194 A198 G199 V201V192-A196 VanDerWaalsContact O-CB 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.19Å; V192-A196 PolarHBondContact O-N 3.08Å; Q193-A196 PolarHBondContact O-N 3.46Å; M194-A196 VanDerWaalsContact C-N 3.29Å; M194-A196 PolarHBondContact O-N 3.26Å; A196-A198 PolarHBondContact O-N 2.96Å; A196-G199 PolarHBondContact O-N 2.89Å; A196-V201 VanDerWaalsContact CA-O 3.27Å; A196-V201 WeakPolarHBondContact CA-O 3.03Å; A196-V201 HydrophobicContact CB-CG2 3.99Å
197K90.4Very high83.9Confident197 Ų19744.4 Ų44.486%0.85724%0.241SC*.Hα-helixtrans-60.2-29.1175.5-174.3178.7177.2-175.70112.3Q193 M194 G199Q193-K197 WeakPolarHBondContact O-CB 3.45Å; Q193-K197 PolarHBondContact O-N 3.43Å; M194-K197 PolarHBondContact O-N 3.14Å; K197-G199 VanDerWaalsContact C-N 3.29Å
198A92.7Very high83.3Confident48 Ų4844.4 Ų44.440%0.39724%0.241SC..THydrogen-bonded Turntrans-81.7-2.3174.500000114.1F129 M194 L195 A196 L200F129-A198 HydrophobicContact CE1-CB 4Å; F129-A198 HydrophobicContact CZ-CB 3.56Å; M194-A198 PolarHBondContact O-N 3.27Å; L195-A198 PolarHBondContact O-N 3.09Å; A196-A198 PolarHBondContact O-N 2.96Å; A198-L200 HydrophobicContact CB-CD1 3.97Å; A198-L200 HydrophobicContact CB-CG 3.95Å; A198-L200 PolarHBondContact O-N 3.19Å
199G88Confident82.6Confident51 Ų5144.8 Ų44.853%0.52624%0.244SC..THydrogen-bonded Turntrans71.415.9-178.100000114.3L195 A196 K197L195-G199 PolarHBondContact O-N 3.26Å; A196-G199 PolarHBondContact O-N 2.89Å; K197-G199 VanDerWaalsContact C-N 3.29Å
200L90.1Very high82.4Confident14 Ų1443.5 Ų43.57%0.07324%0.235CC..SBendtrans-90.5-26.9-176.9-58.9175.6000112.4F25 H26 C28 P127 F129 L195 A198F25-L200 CarbonylContact C-O 3.5Å; F25-L200 WeakPolarHBondContact CA-O 3.22Å; F25-L200 VanDerWaalsContact CB-O 3.29Å; F25-L200 WeakPolarHBondContact CB-O 3.47Å; H26-L200 HydrophobicContact CB-CB 4.48Å; H26-L200 HydrophobicContact CB-CD2 3.67Å; H26-L200 PolarHBondContact N-O 3.03Å; C28-L200 HydrophobicContact CB-CD1 3.87Å; P127-L200 HydrophobicContact CB-CD1 3.66Å; P127-L200 HydrophobicContact CB-CD2 4.17Å; P127-L200 HydrophobicContact CG-CD1 4.04Å; P127-L200 HydrophobicContact CG-CD2 3.59Å; P127-L200 HydrophobicContact CG-CG 4.48Å; F129-L200 HydrophobicContact CD2-CD1 4.43Å; F129-L200 HydrophobicContact CE2-CD1 3.21Å; F129-L200 HydrophobicContact CZ-CD1 3.47Å; F129-L200 VanDerWaalsContact CZ-CD1 3.47Å; L195-L200 HydrophobicContact CD2-CD1 4.26Å; L195-L200 PolarHBondContact O-N 3.45Å; L195-L200 VanDerWaalsContact O-N 3.08Å; A198-L200 HydrophobicContact CB-CD1 3.97Å; A198-L200 HydrophobicContact CB-CG 3.95Å; A198-L200 PolarHBondContact O-N 3.19Å
201V86.4Confident81.6Confident4 Ų441.7 Ų41.72%0.02423%0.228CC..SBendtrans-127.6149.2165.3-58.40000107.1W24 F25 I56 I101 L195 A196W24-V201 HydrophobicContact CZ3-CB 4.07Å; F25-V201 HydrophobicContact CB-CG1 4.32Å; I56-V201 HydrophobicContact CD1-CB 4.37Å; I56-V201 HydrophobicContact CD1-CG1 3.97Å; I101-V201 HydrophobicContact CD1-CG1 3.61Å; L195-V201 HydrophobicContact CB-CG1 4.26Å; L195-V201 HydrophobicContact CB-CG2 3.56Å; L195-V201 PolarHBondContact O-N 3.46Å; A196-V201 VanDerWaalsContact CA-O 3.27Å; A196-V201 WeakPolarHBondContact CA-O 3.03Å; A196-V201 HydrophobicContact CB-CG2 3.99Å
202P74.7Confident80.6Confident27 Ų2742.6 Ų42.618%0.17524%0.237CC..  trans-53.2157.7168-22.57.7000111.4W24 E206 V207W24-P202 HydrophobicContact CB-CG 4.05Å; W24-P202 HydrophobicContact CD2-CG 3.58Å; W24-P202 HydrophobicContact CE3-CB 4.39Å; W24-P202 HydrophobicContact CE3-CG 3.09Å; W24-P202 HydrophobicContact CG-CG 4.1Å; W24-P202 HydrophobicContact CH2-CG 4.11Å; W24-P202 HydrophobicContact CZ3-CB 4.22Å; W24-P202 HydrophobicContact CZ3-CG 3.32Å; W24-P202 WeakPolarHBondContact O-CD 3.2Å; P202-E206 HydrophobicContact CB-CB 4.01Å; P202-V207 HydrophobicContact CB-CG1 3.49Å; P202-V207 VanDerWaalsContact CB-CG1 3.49Å; P202-V207 HydrophobicContact CG-CG1 3.69Å
203N68.4Low80.1Confident74 Ų7444.7 Ų44.740%0.39625%0.251SS..  trans-57.8150177.4-155-12.1000110.5D205 E206 V207N203-D205 PolarHBondContact O-N 3.45Å; N203-D205 VanDerWaalsContact O-N 3.1Å; N203-E206 HydrophobicContact CB-CB 4.15Å; N203-E206 HydrophobicContact CB-CG 3.8Å; N203-E206 PolarHBondContact N-OE2 2.85Å; N203-E206 VanDerWaalsContact N-OE2 3.1Å; N203-E206 WeakPolarHBondContact O-CA 3.33Å; N203-E206 WeakPolarHBondContact O-CB 3.39Å; N203-E206 PolarHBondContact O-N 3.32Å; N203-V207 PolarHBondContact O-N 3.4Å
204Y60.1Low79.9Confident32 Ų3242.2 Ų42.213%0.12524%0.24CC..G310 helixtrans-54.2-34177.6-168.1-91.3000111.3V192 E206 P209 L394V192-Y204 HydrophobicContact CG1-CD2 4.06Å; Y204-E206 VanDerWaalsContact C-N 3.32Å; Y204-P209 HydrophobicContact CE1-CB 4.12Å; Y204-L394 HydrophobicContact CE1-CD1 3.69Å; Y204-L394 WeakPolarHBondContact OH-CD2 3.41Å
205D58.8Low79.8Confident124 Ų12441.3 Ų41.366%0.66324%0.235SC*.G310 helixtrans-81.1-5.8177.3-57.2-35.8000114.3N203 M214N203-D205 PolarHBondContact O-N 3.45Å; N203-D205 VanDerWaalsContact O-N 3.1Å; D205-M214 WeakPolarHBondContact O-CE 3.41Å
206E65.8Low79.7Confident121 Ų12145.1 Ų45.157%0.56525%0.252SS*.G310 helixtrans-103.7-8.1179.4-70.1171.6178.100112.6P202 N203 Y204 M214P202-E206 HydrophobicContact CB-CB 4.01Å; N203-E206 HydrophobicContact CB-CB 4.15Å; N203-E206 HydrophobicContact CB-CG 3.8Å; N203-E206 PolarHBondContact N-OE2 2.85Å; N203-E206 VanDerWaalsContact N-OE2 3.1Å; N203-E206 WeakPolarHBondContact O-CA 3.33Å; N203-E206 WeakPolarHBondContact O-CB 3.39Å; N203-E206 PolarHBondContact O-N 3.32Å; Y204-E206 VanDerWaalsContact C-N 3.32Å; E206-M214 VanDerWaalsContact O-CB 3.3Å; E206-M214 WeakPolarHBondContact O-CB 3.46Å; E206-M214 VanDerWaalsContact O-CG 3.31Å; E206-M214 WeakPolarHBondContact O-CG 3.41Å
207V69.4Low80Confident12 Ų1247.1 Ų47.17%0.07326%0.259CS..SBendtrans-121.5149.6179.5-69.20000111.1W24 P202 N203 P209 M214W24-V207 HydrophobicContact CD2-CG1 4.45Å; W24-V207 HydrophobicContact CE3-CG1 4.42Å; W24-V207 HydrophobicContact CH2-CB 3.9Å; W24-V207 HydrophobicContact CH2-CG1 3.15Å; W24-V207 HydrophobicContact CH2-CG2 4.25Å; W24-V207 HydrophobicContact CZ2-CB 4.15Å; W24-V207 HydrophobicContact CZ2-CG1 3.46Å; W24-V207 VanDerWaalsContact CZ2-CG1 3.46Å; W24-V207 HydrophobicContact CZ3-CG1 3.76Å; P202-V207 HydrophobicContact CB-CG1 3.49Å; P202-V207 VanDerWaalsContact CB-CG1 3.49Å; P202-V207 HydrophobicContact CG-CG1 3.69Å; N203-V207 PolarHBondContact O-N 3.4Å; V207-P209 VanDerWaalsContact O-CD 3.26Å; V207-P209 WeakPolarHBondContact O-CD 3.48Å; V207-M214 VanDerWaalsContact C-SD 3.53Å
208N80.4Confident80.4Confident1 Ų138.4 Ų38.41%0.00522%0.222CC..  trans-63.9118.4171.7-177.2-32.2000109.2F210 G211 G212 M498 L499N208-F210 PolarHBondContact O-N 2.77Å; N208-F210 VanDerWaalsContact O-N 3.08Å; N208-F210 PolarHBondContact OD1-N 3.46Å; N208-G211 PolarHBondContact ND2-O 2.86Å; N208-G211 PolarHBondContact O-N 2.87Å; N208-G211 VanDerWaalsContact O-N 3.09Å; N208-G211 PolarHBondContact OD1-N 3.27Å; N208-G211 PolarHBondContact OD1-O 3.5Å; N208-G212 WeakPolarHBondContact CB-O 3.37Å; N208-M498 PolarHBondContact ND2-O 3.05Å; N208-L499 PolarHBondContact ND2-O 3.28Å
209P77.8Confident80.6Confident9 Ų937.8 Ų37.86%0.05821%0.209CC..THydrogen-bonded Turntrans-73.60.2-174.629.2-33.5000114.2R54 Y204 V207 H390 L394R54-P209 VanDerWaalsContact CZ-C 3.42Å; R54-P209 PolarHBondContact NH1-O 2.84Å; R54-P209 PolarHBondContact NH2-O 2.86Å; Y204-P209 HydrophobicContact CE1-CB 4.12Å; V207-P209 VanDerWaalsContact O-CD 3.26Å; V207-P209 WeakPolarHBondContact O-CD 3.48Å; P209-H390 HydrophobicContact CG-CB 3.74Å; P209-L394 HydrophobicContact CB-CD1 4.07Å; P209-L394 HydrophobicContact CB-CD2 4.21Å; P209-L394 HydrophobicContact CB-CG 4.45Å; P209-L394 HydrophobicContact CG-CD1 3.93Å; P209-L394 HydrophobicContact CG-CG 4.36Å
210F82.3Confident81.1Confident9 Ų936.5 Ų36.54%0.03919%0.191CC..THydrogen-bonded Turntrans-118.42.8173.7-59-80.7000112.4N208 L393 L394 A398 V401 G501 Q503N208-F210 PolarHBondContact O-N 2.77Å; N208-F210 VanDerWaalsContact O-N 3.08Å; N208-F210 PolarHBondContact OD1-N 3.46Å; F210-L393 HydrophobicContact CD2-CD1 4.37Å; F210-L393 HydrophobicContact CE1-CB 4.29Å; F210-L393 HydrophobicContact CE2-CB 3.54Å; F210-L393 HydrophobicContact CE2-CD1 4Å; F210-L393 HydrophobicContact CE2-CG 4.42Å; F210-L393 HydrophobicContact CZ-CB 3.34Å; F210-L393 HydrophobicContact CZ-CD1 4.42Å; F210-L393 HydrophobicContact CZ-CG 4.47Å; F210-L394 HydrophobicContact CE2-CD2 4.48Å; F210-L394 HydrophobicContact CE2-CG 4.29Å; F210-L394 HydrophobicContact CZ-CD2 4.01Å; F210-L394 HydrophobicContact CZ-CG 4.12Å; F210-A398 HydrophobicContact CE1-CB 3.89Å; F210-A398 HydrophobicContact CZ-CB 4.25Å; F210-V401 HydrophobicContact CD1-CG2 3.54Å; F210-V401 HydrophobicContact CD2-CG2 4.48Å; F210-V401 HydrophobicContact CE1-CG2 3.67Å; F210-V401 HydrophobicContact CG-CG2 3.98Å; F210-V401 HydrophobicContact CZ-CG2 4.23Å; F210-G501 WeakPolarHBondContact CB-O 3.38Å; F210-Q503 VanDerWaalsContact O-CG 3.27Å; F210-Q503 WeakPolarHBondContact O-CG 3.37Å
211G74.1Confident81.2Confident5 Ų542 Ų425%0.05223%0.226CC..SBendtrans95.6156.1-176.200000113.8N53 N208N53-G211 WeakPolarHBondContact O-CA 3.42Å; N208-G211 PolarHBondContact ND2-O 2.86Å; N208-G211 PolarHBondContact O-N 2.87Å; N208-G211 VanDerWaalsContact O-N 3.09Å; N208-G211 PolarHBondContact OD1-N 3.27Å; N208-G211 PolarHBondContact OD1-O 3.5Å
212G75.2Confident81.5Confident18 Ų1845.6 Ų45.619%0.18625%0.245CC..SBendtrans95.3-178.4-172.200000113.5N208N208-G212 WeakPolarHBondContact CB-O 3.37Å
213P79.6Confident82.5Confident51 Ų5148.6 Ų48.633%0.33126%0.264SS..PPolyproline II helixtrans-65.9144.5-179-17.930.7000111.8P215 T258 L499P213-P215 WeakPolarHBondContact O-CD 3.21Å; P213-T258 HydrophobicContact CB-CG2 4.46Å; P213-L499 HydrophobicContact CB-CD2 3.91Å; P213-L499 HydrophobicContact CG-CD2 4.19Å
214M85.4Confident83.9Confident52 Ų5250 Ų5026%0.25628%0.275SS..PPolyproline II helixtrans-71.8128.1170.1-17154.1162.200110.2D205 E206 V207 K216 T258 K387D205-M214 WeakPolarHBondContact O-CE 3.41Å; E206-M214 VanDerWaalsContact O-CB 3.3Å; E206-M214 WeakPolarHBondContact O-CB 3.46Å; E206-M214 VanDerWaalsContact O-CG 3.31Å; E206-M214 WeakPolarHBondContact O-CG 3.41Å; V207-M214 VanDerWaalsContact C-SD 3.53Å; M214-K216 PolarHBondContact O-N 2.94Å; M214-T258 WeakPolarHBondContact O-CG2 3.09Å; M214-K387 HydrophobicContact CE-CG 4.39Å
215P92.6Very high85.6Confident3 Ų351.3 Ų51.32%0.01928%0.282CS..PPolyproline II helixtrans-60.9124.6179.3-26.536.7000112.7P213 T258 P386 K387P213-P215 WeakPolarHBondContact O-CD 3.21Å; P215-T258 WeakPolarHBondContact CA-OG1 3.17Å; P215-P386 HydrophobicContact CB-CB 3.69Å; P215-P386 HydrophobicContact CB-CG 4.21Å; P215-P386 HydrophobicContact CG-CB 3.34Å; P215-P386 HydrophobicContact CG-CG 4.26Å; P215-K387 HydrophobicContact CB-CG 4.4Å; P215-K387 WeakPolarHBondContact O-CE 3.43Å
216K92.1Very high87.3Confident81 Ų8146.3 Ų46.335%0.35226%0.256SS..  trans-93101.8174.5179.8-179.4176.1177.60109.9M214 L218 G255 T258 N261M214-K216 PolarHBondContact O-N 2.94Å; K216-L218 HydrophobicContact CG-CD2 4.37Å; K216-G255 WeakPolarHBondContact O-CA 3.47Å; K216-T258 HydrophobicContact CB-CG2 4.02Å; K216-T258 PolarHBondContact N-OG1 3.46Å; K216-N261 WeakPolarHBondContact CE-OD1 3.41Å; K216-N261 PolarHBondContact NZ-OD1 3.33Å
217E96.4Very high88.7Confident57 Ų5747.2 Ų47.227%0.26626%0.261SS..  trans-77.7149.2173.2-68.1169.6142.400111.2Y219 A253 K387E217-Y219 HydrophobicContact CB-CD2 4.21Å; E217-A253 CarbonylContact C-O 3.46Å; E217-A253 WeakPolarHBondContact CA-O 3.16Å; E217-A253 WeakPolarHBondContact CB-O 3.47Å; E217-K387 WeakPolarHBondContact OE2-CD 3.4Å; E217-K387 WeakPolarHBondContact OE2-CE 3.39Å; E217-K387 IonicContact OE2-NZ 2.64Å; E217-K387 PolarHBondContact OE2-NZ 3.44Å
218L98.1Very high90Very high13 Ų1352.6 Ų52.67%0.06828%0.283CS..  trans-111.416.2-179.5-48.9174.4000112.2K216 L252 A253 N261 L367 V369K216-L218 HydrophobicContact CG-CD2 4.37Å; L218-L252 HydrophobicContact CD1-CB 4.08Å; L218-A253 PolarHBondContact N-O 3.14Å; L218-N261 WeakPolarHBondContact CD1-O 3.28Å; L218-L367 HydrophobicContact CD1-CB 4.15Å; L218-L367 HydrophobicContact CD1-CD2 4.22Å; L218-V369 PolarHBondContact O-N 3.19Å
219Y97.9Very high90.7Very high35 Ų3552.8 Ų52.814%0.13728%0.284CS..BIsolated β-bridgetrans-73.1138.6171.8-64.2-63.7000111.1E217 A253 E254 V369 K371 R372E217-Y219 HydrophobicContact CB-CD2 4.21Å; Y219-A253 HydrophobicContact CD1-CB 4.2Å; Y219-A253 WeakPolarHBondContact CD2-O 2.98Å; Y219-A253 HydrophobicContact CE1-CB 3.67Å; Y219-A253 HydrophobicContact CE2-CB 4.11Å; Y219-A253 VanDerWaalsContact CE2-O 3.3Å; Y219-A253 WeakPolarHBondContact CE2-O 3.49Å; Y219-E254 HydrophobicContact CE2-CG 4.1Å; Y219-E254 WeakPolarHBondContact OH-CG 3.36Å; Y219-V369 CarbonylContact C-O 3.56Å; Y219-V369 VanDerWaalsContact CA-O 3.32Å; Y219-V369 WeakPolarHBondContact CA-O 3.34Å; Y219-V369 HydrophobicContact CD1-CB 3.8Å; Y219-V369 HydrophobicContact CD1-CG1 3.81Å; Y219-V369 HydrophobicContact CE1-CB 4.03Å; Y219-V369 HydrophobicContact CE1-CG1 3.68Å; Y219-K371 VanDerWaalsContact CE1-O 3.28Å; Y219-K371 WeakPolarHBondContact CE1-O 3.13Å; Y219-R372 PolarHBondContact OH-NH1 3.06Å; Y219-R372 VanDerWaalsContact OH-NH1 3.14Å
220V96.8Very high91.5Very high25 Ų2556.1 Ų56.115%0.15230%0.297CS..  trans-83.6115.2168.1-173.70000107.6E225 V226 L229 K368 V369 F370V220-E225 HydrophobicContact CG1-CB 4.05Å; V220-E225 HydrophobicContact CG1-CG 3.92Å; V220-V226 HydrophobicContact CB-CG2 3.77Å; V220-V226 HydrophobicContact CG1-CG2 3.67Å; V220-V226 WeakPolarHBondContact O-CG2 3.47Å; V220-L229 HydrophobicContact CG1-CD1 4.2Å; V220-L229 HydrophobicContact CG2-CD1 3.86Å; V220-K368 HydrophobicContact CG2-CB 3.88Å; V220-K368 HydrophobicContact CG2-CD 4.06Å; V220-K368 HydrophobicContact CG2-CG 4.41Å; V220-V369 PolarHBondContact N-O 2.88Å; V220-F370 HydrophobicContact CG2-CD1 4.34Å
221T92.2Very high92.1Very high130 Ų13058.3 Ų58.380%0.79832%0.317SS*.  trans-92.1-28.4-172.851.40000113.6P223T221-P223 VanDerWaalsContact O-CD 3.3Å; T221-P223 WeakPolarHBondContact O-CD 3.39Å
222D94.6Very high93Very high79 Ų7961 Ų6142%0.42233%0.328SS..  trans-75116.3176.4175.810.8000110.9V224 E225 V226D222-V224 PolarHBondContact O-N 3.42Å; D222-V224 PolarHBondContact OD1-N 2.75Å; D222-E225 HydrophobicContact CB-CB 4.06Å; D222-E225 PolarHBondContact O-N 3.38Å; D222-V226 WeakPolarHBondContact O-CG2 3.15Å; D222-V226 PolarHBondContact O-N 3.01Å
223P95.1Very high93.9Very high90 Ų9060.1 Ų60.158%0.58432%0.319SS*.Hα-helixtrans-58.3-32.1178.2-24.135.3000114.3T221 V226 Q227T221-P223 VanDerWaalsContact O-CD 3.3Å; T221-P223 WeakPolarHBondContact O-CD 3.39Å; P223-V226 PolarHBondContact O-N 3.32Å; P223-Q227 WeakPolarHBondContact O-CG 3.36Å; P223-Q227 PolarHBondContact O-N 3.01Å; P223-Q227 VanDerWaalsContact O-N 3.08Å
224V96.7Very high94.5Very high102 Ų10264.6 Ų64.662%0.61833%0.334SS*.Hα-helixtrans-69-48.2179.5178.20000109.9D222 V226 Q227 K228D222-V224 PolarHBondContact O-N 3.42Å; D222-V224 PolarHBondContact OD1-N 2.75Å; V224-V226 VanDerWaalsContact C-N 3.31Å; V224-V226 PolarHBondContact O-N 3.49Å; V224-Q227 PolarHBondContact O-N 3.22Å; V224-K228 PolarHBondContact O-N 3.09Å
225E95.7Very high94.7Very high61 Ų6169.1 Ų69.129%0.28536%0.359SS..Hα-helixtrans-62.6-38174.9-173.162.4-165.400111.4V220 D222 Q227 K228 L229V220-E225 HydrophobicContact CG1-CB 4.05Å; V220-E225 HydrophobicContact CG1-CG 3.92Å; D222-E225 HydrophobicContact CB-CB 4.06Å; D222-E225 PolarHBondContact O-N 3.38Å; E225-Q227 PolarHBondContact O-N 2.9Å; E225-K228 PolarHBondContact O-N 2.81Å; E225-K228 IonicContact OE1-NZ 2.72Å; E225-K228 WeakPolarHBondContact OE2-CD 3.32Å; E225-K228 IonicContact OE2-NZ 3.37Å; E225-K228 PolarHBondContact OE2-NZ 2.93Å; E225-L229 HydrophobicContact CG-CD1 3.88Å; E225-L229 HydrophobicContact CG-CG 4.16Å; E225-L229 WeakPolarHBondContact O-CB 3.41Å; E225-L229 WeakPolarHBondContact O-CG 3.48Å; E225-L229 PolarHBondContact O-N 3.36Å
226V96Very high94.7Very high18 Ų1870.6 Ų70.611%0.10937%0.367CS..Hα-helixtrans-57.5-46.4173.3169.70000111.9V220 D222 P223 V224 K230 F370V220-V226 HydrophobicContact CB-CG2 3.77Å; V220-V226 HydrophobicContact CG1-CG2 3.67Å; V220-V226 WeakPolarHBondContact O-CG2 3.47Å; D222-V226 WeakPolarHBondContact O-CG2 3.15Å; D222-V226 PolarHBondContact O-N 3.01Å; P223-V226 PolarHBondContact O-N 3.32Å; V224-V226 VanDerWaalsContact C-N 3.31Å; V224-V226 PolarHBondContact O-N 3.49Å; V226-K230 HydrophobicContact CG1-CD 4.09Å; V226-K230 HydrophobicContact CG1-CG 4.48Å; V226-K230 WeakPolarHBondContact O-CB 3.28Å; V226-K230 WeakPolarHBondContact O-CG 3.44Å; V226-K230 PolarHBondContact O-N 3.14Å; V226-F370 HydrophobicContact CG1-CB 4.09Å
227Q95.5Very high94.7Very high141 Ų14168.5 Ų68.566%0.65936%0.361SS*.Hα-helixtrans-64-44.9179.8-73.4179.910.900111.7P223 V224 E225 K230 A231P223-Q227 WeakPolarHBondContact O-CG 3.36Å; P223-Q227 PolarHBondContact O-N 3.01Å; P223-Q227 VanDerWaalsContact O-N 3.08Å; V224-Q227 PolarHBondContact O-N 3.22Å; E225-Q227 PolarHBondContact O-N 2.9Å; Q227-K230 PolarHBondContact O-N 3.43Å; Q227-A231 PolarHBondContact O-N 3.05Å
228K96.2Very high94.7Very high125 Ų12569 Ų6954%0.54336%0.363SS..Hα-helixtrans-59.7-48176.7176.8-175158.4-150.30112.1V224 E225 K230 A231 E232V224-K228 PolarHBondContact O-N 3.09Å; E225-K228 PolarHBondContact O-N 2.81Å; E225-K228 IonicContact OE1-NZ 2.72Å; E225-K228 WeakPolarHBondContact OE2-CD 3.32Å; E225-K228 IonicContact OE2-NZ 3.37Å; E225-K228 PolarHBondContact OE2-NZ 2.93Å; K228-K230 PolarHBondContact O-N 3.41Å; K228-A231 WeakPolarHBondContact O-CB 3.34Å; K228-A231 PolarHBondContact O-N 2.7Å; K228-E232 PolarHBondContact O-N 2.71Å
229L95.3Very high94.6Very high4 Ų468.7 Ų68.72%0.02136%0.362CS..Hα-helixtrans-65.7-37.3179-69177.6000112.2V220 E225 E232 C233 M323 F370V220-L229 HydrophobicContact CG1-CD1 4.2Å; V220-L229 HydrophobicContact CG2-CD1 3.86Å; E225-L229 HydrophobicContact CG-CD1 3.88Å; E225-L229 HydrophobicContact CG-CG 4.16Å; E225-L229 WeakPolarHBondContact O-CB 3.41Å; E225-L229 WeakPolarHBondContact O-CG 3.48Å; E225-L229 PolarHBondContact O-N 3.36Å; L229-E232 WeakPolarHBondContact O-CB 3.21Å; L229-E232 PolarHBondContact O-N 3.25Å; L229-C233 PolarHBondContact O-N 3.32Å; L229-C233 PolarHBondContact O-SG 3.31Å; L229-C233 VanDerWaalsContact O-SG 3.35Å; L229-M323 HydrophobicContact CB-CE 3.77Å; L229-M323 HydrophobicContact CD2-CE 3.75Å; L229-M323 HydrophobicContact CD2-SD 3.82Å; L229-M323 HydrophobicContact CG-CE 4.3Å; L229-M323 WeakPolarHBondContact O-CE 3.28Å; L229-F370 HydrophobicContact CB-CD1 4.46Å; L229-F370 HydrophobicContact CB-CE1 3.59Å; L229-F370 HydrophobicContact CB-CZ 3.92Å; L229-F370 HydrophobicContact CD1-CE1 4.01Å; L229-F370 HydrophobicContact CG-CE1 4.46Å
230K94.3Very high94.6Very high80 Ų8072.4 Ų72.435%0.34838%0.384SS..Hα-helixtrans-64.4-40172.3-78.5-180177.4179.10112.3V226 Q227 K228 E232 C233 F234 F370V226-K230 HydrophobicContact CG1-CD 4.09Å; V226-K230 HydrophobicContact CG1-CG 4.48Å; V226-K230 WeakPolarHBondContact O-CB 3.28Å; V226-K230 WeakPolarHBondContact O-CG 3.44Å; V226-K230 PolarHBondContact O-N 3.14Å; Q227-K230 PolarHBondContact O-N 3.43Å; K228-K230 PolarHBondContact O-N 3.41Å; K230-E232 VanDerWaalsContact C-N 3.31Å; K230-C233 WeakPolarHBondContact O-CB 3.38Å; K230-C233 PolarHBondContact O-N 2.99Å; K230-F234 VanDerWaalsContact O-CD2 3.22Å; K230-F234 WeakPolarHBondContact O-CD2 3.44Å; K230-F370 HydrophobicContact CD-CD2 4.39Å; K230-F370 HydrophobicContact CG-CD2 3.61Å; K230-F370 HydrophobicContact CG-CE2 3.78Å; K230-F370 HydrophobicContact CG-CG 4.18Å
231A94Very high94.6Very high55 Ų5571.8 Ų71.846%0.45538%0.38SS..Hα-helixtrans-61.4-41.8175.500000111.3Q227 K228 F234Q227-A231 PolarHBondContact O-N 3.05Å; K228-A231 WeakPolarHBondContact O-CB 3.34Å; K228-A231 PolarHBondContact O-N 2.7Å; A231-F234 PolarHBondContact O-N 2.78Å
232E94.6Very high94.9Very high60 Ų6069.3 Ų69.328%0.2837%0.365SS..Hα-helixtrans-60.5-44.4173.8-175-179.7158.100111.9K228 L229 K230 F234 N235 L236 R325K228-E232 PolarHBondContact O-N 2.71Å; L229-E232 WeakPolarHBondContact O-CB 3.21Å; L229-E232 PolarHBondContact O-N 3.25Å; K230-E232 VanDerWaalsContact C-N 3.31Å; E232-F234 PolarHBondContact O-N 2.58Å; E232-F234 VanDerWaalsContact O-N 3.1Å; E232-N235 PolarHBondContact O-N 2.7Å; E232-L236 HydrophobicContact CG-CD1 4.26Å; E232-L236 HydrophobicContact CG-CG 4.38Å; E232-L236 PolarHBondContact O-N 2.61Å; E232-R325 IonicContact OE1-CZ 2.68Å; E232-R325 VanDerWaalsContact OE1-CZ 3.29Å; E232-R325 IonicContact OE1-NH1 3.56Å; E232-R325 PolarHBondContact OE1-NH1 3.43Å; E232-R325 IonicContact OE1-NH2 2.77Å; E232-R325 PolarHBondContact OE1-NH2 3.5Å; E232-R325 IonicContact OE2-CZ 3.71Å; E232-R325 IonicContact OE2-NH1 3.23Å; E232-R325 IonicContact OE2-NH2 2.97Å; E232-R325 PolarHBondContact OE2-NH2 3.09Å
233C94Very high95Very high0 Ų069.9 Ų69.90%037%0.365CS..Hα-helixtrans-56-28.2179.8-74.30000114.4L229 K230 N235 L236 H238 A313 I320 M323L229-C233 PolarHBondContact O-N 3.32Å; L229-C233 PolarHBondContact O-SG 3.31Å; L229-C233 VanDerWaalsContact O-SG 3.35Å; K230-C233 WeakPolarHBondContact O-CB 3.38Å; K230-C233 PolarHBondContact O-N 2.99Å; C233-N235 PolarHBondContact O-N 3.44Å; C233-L236 PolarHBondContact O-N 3.28Å; C233-H238 PolarHBondContact O-NE2 3.14Å; C233-A313 HydrophobicContact CB-CB 3.75Å; C233-I320 HydrophobicContact CB-CD1 3.97Å; C233-I320 HydrophobicContact CB-CG2 4.13Å; C233-M323 VanDerWaalsContact SG-CE 3.52Å
234F90.3Very high95.2Very high146 Ų14667.5 Ų67.564%0.6435%0.347SS*.THydrogen-bonded Turntrans-64-25.8176.9-71.8-71.8000113.3K230 A231 E232 I320K230-F234 VanDerWaalsContact O-CD2 3.22Å; K230-F234 WeakPolarHBondContact O-CD2 3.44Å; A231-F234 PolarHBondContact O-N 2.78Å; E232-F234 PolarHBondContact O-N 2.58Å; E232-F234 VanDerWaalsContact O-N 3.1Å; F234-I320 HydrophobicContact CE1-CD1 4.39Å
235N90.8Very high95.3Very high147 Ų14763.9 Ų63.979%0.78632%0.324SS*.THydrogen-bonded Turntrans-99.9-3.7179.5-59.4-51000112.9E232 C233E232-N235 PolarHBondContact O-N 2.7Å; C233-N235 PolarHBondContact O-N 3.44Å
236L92.1Very high95.4Very high34 Ų3461.4 Ų61.418%0.17831%0.313CS..SBendtrans-88.6155.9175.9-66.1-178.9000110.3E232 C233 H238 A313 M323E232-L236 HydrophobicContact CG-CD1 4.26Å; E232-L236 HydrophobicContact CG-CG 4.38Å; E232-L236 PolarHBondContact O-N 2.61Å; C233-L236 PolarHBondContact O-N 3.28Å; L236-H238 PolarHBondContact O-CD2 2.96Å; L236-H238 PolarHBondContact O-NE2 3.19Å; L236-A313 HydrophobicContact CB-CB 4.41Å; L236-M323 HydrophobicContact CD1-CE 4.48Å
237P92.3Very high95.5Very high37 Ų3761.2 Ų61.224%0.2431%0.311CS..PPolyproline II helixtrans-65.2141168.431.6-37.2000110.3F305 A313P237-F305 HydrophobicContact CB-CD1 3.56Å; P237-F305 HydrophobicContact CB-CE1 3.73Å; P237-F305 HydrophobicContact CG-CD1 3.55Å; P237-F305 HydrophobicContact CG-CE1 4.09Å; P237-A313 PolarHBondContact O-N 3.14Å
238H95.3Very high95.7Very high66 Ų6655.3 Ų55.331%0.30628%0.282SS..EExtended strand (participates in β ladder)trans-100.9125.8-175.6-65.6-178.9000110.6C233 L236 R304 V315C233-H238 PolarHBondContact O-NE2 3.14Å; L236-H238 PolarHBondContact O-CD2 2.96Å; L236-H238 PolarHBondContact O-NE2 3.19Å; H238-R304 PolarHBondContact O-NH1 3.43Å; H238-R304 PolarHBondContact O-NH2 2.82Å; H238-V315 HydrophobicContact CB-CG2 3.95Å
239L96.9Very high95.8Very high8 Ų849.4 Ų49.44%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-101.4115.5169.7-179.863.2000108.9I241 L295 V297 D301 F305 I312 A313 L314 V315L239-I241 HydrophobicContact CD2-CG2 4.49Å; L239-I241 HydrophobicContact CG-CG2 4.33Å; L239-I241 PolarHBondContact O-N 2.94Å; L239-L295 HydrophobicContact CD2-CD2 3.7Å; L239-L295 HydrophobicContact CD2-CG 4.33Å; L239-V297 HydrophobicContact CD1-CG1 4.05Å; L239-V297 HydrophobicContact CD2-CG1 3.65Å; L239-D301 HydrophobicContact CD1-CB 4.42Å; L239-F305 HydrophobicContact CB-CE2 4.44Å; L239-F305 HydrophobicContact CB-CZ 3.79Å; L239-F305 HydrophobicContact CD1-CE2 4.18Å; L239-F305 HydrophobicContact CD1-CZ 3.94Å; L239-F305 HydrophobicContact CG-CZ 4.32Å; L239-I312 HydrophobicContact CB-CG2 3.6Å; L239-A313 PolarHBondContact N-O 2.92Å; L239-L314 HydrophobicContact CB-CD2 4.29Å; L239-L314 HydrophobicContact CD2-CD2 4.04Å; L239-V315 PolarHBondContact O-N 3.48Å
240D97.5Very high95.9Very high112 Ų11249.3 Ų49.360%0.59926%0.256SS*.EExtended strand (participates in β ladder)trans-73.6118.6170.5-71.8-56.1000109.3V315D240-V315 CarbonylContact C-O 3.58Å; D240-V315 WeakPolarHBondContact CA-O 3.46Å
241I98Very high96.1Very high13 Ų1345.5 Ų45.57%0.06724%0.24CC..PPolyproline II helixtrans-98.8151.6-177.863.7167.2000111.2L239 D245 L246 I249 L314 V315 Y316L239-I241 HydrophobicContact CD2-CG2 4.49Å; L239-I241 HydrophobicContact CG-CG2 4.33Å; L239-I241 PolarHBondContact O-N 2.94Å; I241-D245 HydrophobicContact CB-CB 3.86Å; I241-D245 HydrophobicContact CG2-CB 4.48Å; I241-L246 HydrophobicContact CD1-CB 4.32Å; I241-L246 HydrophobicContact CD1-CD1 4.29Å; I241-I249 HydrophobicContact CD1-CD1 3.38Å; I241-L314 HydrophobicContact CG2-CB 4.29Å; I241-L314 HydrophobicContact CG2-CD2 4.06Å; I241-V315 WeakPolarHBondContact CG1-O 3.46Å; I241-V315 PolarHBondContact N-O 3.49Å; I241-Y316 HydrophobicContact CG1-CD2 4.43Å
242T97.6Very high96.4Very high78 Ų7843 Ų4348%0.47922%0.218SC..PPolyproline II helixtrans-78.9171.717571.60000111.6L244 D245 L246T242-L244 VanDerWaalsContact C-N 3.29Å; T242-L244 PolarHBondContact O-N 2.85Å; T242-L244 PolarHBondContact OG1-N 3.29Å; T242-D245 VanDerWaalsContact CB-OD2 3.3Å; T242-D245 WeakPolarHBondContact CB-OD2 3.47Å; T242-D245 WeakPolarHBondContact CG2-OD2 3.44Å; T242-D245 PolarHBondContact N-OD2 3.06Å; T242-D245 PolarHBondContact O-N 2.89Å; T242-D245 PolarHBondContact OG1-N 3.33Å; T242-D245 VanDerWaalsContact OG1-N 3.15Å; T242-D245 PolarHBondContact OG1-OD2 2.74Å; T242-L246 PolarHBondContact O-N 3.1Å
243E97.6Very high96.6Very high91 Ų9140.1 Ų40.143%0.42521%0.205SC..Hα-helixtrans-64-35.5171.3-170.9168.9133.100112.6D245 L246 Q247 Y316 W375E243-D245 VanDerWaalsContact C-N 3.35Å; E243-L246 WeakPolarHBondContact O-CB 3.46Å; E243-L246 PolarHBondContact O-N 3.34Å; E243-Q247 WeakPolarHBondContact O-CG 3.11Å; E243-Q247 PolarHBondContact O-N 3.11Å; E243-Q247 VanDerWaalsContact O-N 3.07Å; E243-Y316 HydrophobicContact CB-CE2 4.03Å; E243-Y316 PolarHBondContact OE2-OH 3.47Å; E243-Y316 VanDerWaalsContact OE2-OH 3.12Å; E243-W375 HydrophobicContact CG-CH2 3.67Å; E243-W375 HydrophobicContact CG-CZ3 3.6Å
244L97.8Very high96.8Very high40 Ų4040.1 Ų40.121%0.20921%0.205CC..Hα-helixtrans-65.1-41.5176.5-179.363000111T242 L246 Q247 W248 M354 W444 P481T242-L244 VanDerWaalsContact C-N 3.29Å; T242-L244 PolarHBondContact O-N 2.85Å; T242-L244 PolarHBondContact OG1-N 3.29Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 2.93Å; L244-Q247 WeakPolarHBondContact O-CB 3.49Å; L244-Q247 PolarHBondContact O-N 3.26Å; L244-W248 PolarHBondContact O-N 3.38Å; L244-W248 VanDerWaalsContact O-N 3.1Å; L244-M354 HydrophobicContact CD2-CE 4.11Å; L244-M354 HydrophobicContact CD2-SD 3.97Å; L244-W444 HydrophobicContact CD1-CB 4.21Å; L244-P481 HydrophobicContact CD1-CB 3.69Å; L244-P481 HydrophobicContact CD1-CG 3.45Å; L244-P481 VanDerWaalsContact CD1-CG 3.45Å
245D98.5Very high97.1Very high25 Ų2533.1 Ų33.113%0.13418%0.175CC..Hα-helixtrans-62.1-41.4174.7-59.7-45.6000110.9I241 T242 E243 Q247 W248 I249 L295I241-D245 HydrophobicContact CB-CB 3.86Å; I241-D245 HydrophobicContact CG2-CB 4.48Å; T242-D245 VanDerWaalsContact CB-OD2 3.3Å; T242-D245 WeakPolarHBondContact CB-OD2 3.47Å; T242-D245 WeakPolarHBondContact CG2-OD2 3.44Å; T242-D245 PolarHBondContact N-OD2 3.06Å; T242-D245 PolarHBondContact O-N 2.89Å; T242-D245 PolarHBondContact OG1-N 3.33Å; T242-D245 VanDerWaalsContact OG1-N 3.15Å; T242-D245 PolarHBondContact OG1-OD2 2.74Å; E243-D245 VanDerWaalsContact C-N 3.35Å; D245-Q247 VanDerWaalsContact C-N 3.29Å; D245-Q247 PolarHBondContact O-N 3.25Å; D245-W248 PolarHBondContact O-N 2.83Å; D245-W248 VanDerWaalsContact O-N 3.15Å; D245-I249 VanDerWaalsContact O-CG1 3.32Å; D245-I249 WeakPolarHBondContact O-CG1 3.29Å; D245-I249 PolarHBondContact O-N 3.32Å; D245-L295 HydrophobicContact CB-CD1 4.04Å; D245-L295 WeakPolarHBondContact OD1-CD1 3.16Å
246L98.5Very high97.4Very high9 Ų926.1 Ų26.15%0.04714%0.137CC..Hα-helixtrans-60.4-37.4175.4-175.166.8000112.4I241 T242 E243 L244 I249 Q250 Y316 I321 I373 W375I241-L246 HydrophobicContact CD1-CB 4.32Å; I241-L246 HydrophobicContact CD1-CD1 4.29Å; T242-L246 PolarHBondContact O-N 3.1Å; E243-L246 WeakPolarHBondContact O-CB 3.46Å; E243-L246 PolarHBondContact O-N 3.34Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 2.93Å; L246-I249 PolarHBondContact O-N 3.12Å; L246-Q250 WeakPolarHBondContact O-CB 3.18Å; L246-Q250 PolarHBondContact O-N 3.07Å; L246-Y316 HydrophobicContact CD2-CD1 3.57Å; L246-Y316 HydrophobicContact CD2-CD2 4.39Å; L246-Y316 HydrophobicContact CD2-CE1 3.55Å; L246-Y316 HydrophobicContact CD2-CE2 4.4Å; L246-Y316 HydrophobicContact CD2-CG 3.99Å; L246-I321 HydrophobicContact CD1-CG1 4.18Å; L246-I321 HydrophobicContact CD1-CG2 3.88Å; L246-I373 HydrophobicContact CD1-CD1 3.65Å; L246-I373 HydrophobicContact CD1-CG1 4.14Å; L246-I373 HydrophobicContact CD1-CG2 4.5Å; L246-I373 HydrophobicContact CG-CD1 4.33Å; L246-I373 HydrophobicContact CG-CG2 4.38Å; L246-W375 HydrophobicContact CB-CH2 4.49Å; L246-W375 HydrophobicContact CD2-CH2 3.9Å; L246-W375 HydrophobicContact CD2-CZ2 4.27Å; L246-W375 HydrophobicContact CD2-CZ3 4.33Å; L246-W375 HydrophobicContact CG-CH2 4.3Å; L246-W375 HydrophobicContact CG-CZ2 4.41Å
247Q98.5Very high97.7Very high14 Ų1424.6 Ų24.67%0.06513%0.129CC..Hα-helixtrans-66.9-37.8175.1-66.9171.816.200112.1E243 L244 D245 Q250 T251 W375 G443 P481E243-Q247 WeakPolarHBondContact O-CG 3.11Å; E243-Q247 PolarHBondContact O-N 3.11Å; E243-Q247 VanDerWaalsContact O-N 3.07Å; L244-Q247 WeakPolarHBondContact O-CB 3.49Å; L244-Q247 PolarHBondContact O-N 3.26Å; D245-Q247 VanDerWaalsContact C-N 3.29Å; D245-Q247 PolarHBondContact O-N 3.25Å; Q247-Q250 WeakPolarHBondContact O-CB 3.32Å; Q247-Q250 PolarHBondContact O-N 3.16Å; Q247-T251 WeakPolarHBondContact O-CB 3.16Å; Q247-T251 PolarHBondContact O-N 2.91Å; Q247-T251 PolarHBondContact O-OG1 3.29Å; Q247-W375 HydrophobicContact CG-CH2 3.63Å; Q247-W375 HydrophobicContact CG-CZ2 3.53Å; Q247-G443 VanDerWaalsContact OE1-CA 3.29Å; Q247-P481 HydrophobicContact CB-CG 4Å
248W98.6Very high97.8Very high17 Ų1723.3 Ų23.36%0.06412%0.121CC..Hα-helixtrans-69.1-39172.4-76119.9000112.5L244 D245 Q250 T251 L252 F263 I291 I293 P481 L483 W492L244-W248 PolarHBondContact O-N 3.38Å; L244-W248 VanDerWaalsContact O-N 3.1Å; D245-W248 PolarHBondContact O-N 2.83Å; D245-W248 VanDerWaalsContact O-N 3.15Å; W248-Q250 VanDerWaalsContact C-N 3.31Å; W248-Q250 PolarHBondContact O-N 3.25Å; W248-T251 HydrophobicContact CE3-CG2 4.18Å; W248-T251 HydrophobicContact CZ3-CG2 4.23Å; W248-T251 WeakPolarHBondContact O-CB 3.39Å; W248-T251 PolarHBondContact O-N 3.28Å; W248-L252 WeakPolarHBondContact O-CG 3.3Å; W248-L252 PolarHBondContact O-N 2.93Å; W248-F263 HydrophobicContact CB-CE1 4.09Å; W248-I291 HydrophobicContact CH2-CG2 4.09Å; W248-I293 HydrophobicContact CB-CG2 4.16Å; W248-I293 HydrophobicContact CD2-CG2 4.15Å; W248-I293 HydrophobicContact CE3-CB 4.4Å; W248-I293 HydrophobicContact CE3-CD1 3.99Å; W248-I293 HydrophobicContact CE3-CG1 3.87Å; W248-I293 HydrophobicContact CE3-CG2 3.79Å; W248-I293 HydrophobicContact CG-CG2 4.33Å; W248-I293 HydrophobicContact CZ3-CD1 3.92Å; W248-I293 HydrophobicContact CZ3-CG1 3.79Å; W248-P481 HydrophobicContact CD2-CG 4.16Å; W248-P481 HydrophobicContact CG-CG 4.49Å; W248-P481 HydrophobicContact CZ2-CB 4.23Å; W248-P481 HydrophobicContact CZ2-CG 3.91Å; W248-L483 HydrophobicContact CH2-CD1 4.45Å; W248-L483 HydrophobicContact CZ2-CD1 4.25Å; W248-L483 HydrophobicContact CZ2-CD2 4.13Å; W248-L483 HydrophobicContact CZ2-CG 4.34Å; W248-W492 HydrophobicContact CZ3-CZ2 4.3Å
249I98.7Very high97.7Very high1 Ų121.8 Ų21.81%0.00512%0.117CC..Hα-helixtrans-59.9-43.1171.5-70.5173.9000110.3I241 D245 L246 T251 L252 A253 F263 L314 I321 L367 V369 I373I241-I249 HydrophobicContact CD1-CD1 3.38Å; D245-I249 VanDerWaalsContact O-CG1 3.32Å; D245-I249 WeakPolarHBondContact O-CG1 3.29Å; D245-I249 PolarHBondContact O-N 3.32Å; L246-I249 PolarHBondContact O-N 3.12Å; I249-T251 VanDerWaalsContact C-N 3.35Å; I249-T251 PolarHBondContact O-N 2.7Å; I249-L252 PolarHBondContact O-N 3.36Å; I249-A253 WeakPolarHBondContact O-CB 3.38Å; I249-A253 PolarHBondContact O-N 3.37Å; I249-F263 HydrophobicContact CD1-CE2 4.34Å; I249-F263 HydrophobicContact CD1-CZ 4.41Å; I249-F263 HydrophobicContact CG1-CE2 3.77Å; I249-F263 HydrophobicContact CG1-CZ 3.63Å; I249-L314 HydrophobicContact CD1-CD1 3.79Å; I249-I321 HydrophobicContact CG2-CG2 4.35Å; I249-L367 HydrophobicContact CG1-CD2 4.48Å; I249-L367 HydrophobicContact CG2-CD2 4.18Å; I249-V369 HydrophobicContact CG2-CG2 3.71Å; I249-I373 HydrophobicContact CB-CD1 4.38Å; I249-I373 HydrophobicContact CG2-CD1 3.8Å
250Q98.7Very high97.6Very high2 Ų221.6 Ų21.61%0.00912%0.116CC..Hα-helixtrans-59.2-47.6174.3-176.7-179.71.300111.3L246 Q247 W248 L252 A253 E254 I373 P479L246-Q250 WeakPolarHBondContact O-CB 3.18Å; L246-Q250 PolarHBondContact O-N 3.07Å; Q247-Q250 WeakPolarHBondContact O-CB 3.32Å; Q247-Q250 PolarHBondContact O-N 3.16Å; W248-Q250 VanDerWaalsContact C-N 3.31Å; W248-Q250 PolarHBondContact O-N 3.25Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.22Å; Q250-A253 PolarHBondContact O-N 3.23Å; Q250-E254 VanDerWaalsContact CD-OE1 3.23Å; Q250-E254 HydrophobicContact CG-CG 4.19Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.3Å; Q250-E254 PolarHBondContact NE2-OE1 3Å; Q250-E254 WeakPolarHBondContact O-CB 3.47Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 3.37Å; Q250-I373 HydrophobicContact CB-CB 4.39Å; Q250-I373 HydrophobicContact CB-CD1 3.72Å; Q250-I373 HydrophobicContact CB-CG2 4.38Å; Q250-I373 HydrophobicContact CG-CB 4.27Å; Q250-I373 HydrophobicContact CG-CD1 4.43Å; Q250-I373 HydrophobicContact CG-CG2 4.39Å; Q250-P479 VanDerWaalsContact CD-CB 3.44Å; Q250-P479 HydrophobicContact CG-CB 3.88Å; Q250-P479 HydrophobicContact CG-CG 4.24Å
251T98.7Very high97.6Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-58.1-44.1177.8-61.10000112Q247 W248 I249 W256 I293 W492Q247-T251 WeakPolarHBondContact O-CB 3.16Å; Q247-T251 PolarHBondContact O-N 2.91Å; Q247-T251 PolarHBondContact O-OG1 3.29Å; W248-T251 HydrophobicContact CE3-CG2 4.18Å; W248-T251 HydrophobicContact CZ3-CG2 4.23Å; W248-T251 WeakPolarHBondContact O-CB 3.39Å; W248-T251 PolarHBondContact O-N 3.28Å; I249-T251 VanDerWaalsContact C-N 3.35Å; I249-T251 PolarHBondContact O-N 2.7Å; T251-W256 HydrophobicContact CG2-CB 3.83Å; T251-W256 WeakPolarHBondContact O-CB 3.4Å; T251-W256 PolarHBondContact O-N 2.8Å; T251-W256 VanDerWaalsContact O-N 3.15Å; T251-I293 HydrophobicContact CG2-CD1 4.33Å; T251-W492 HydrophobicContact CG2-CH2 3.97Å; T251-W492 HydrophobicContact CG2-CZ2 3.56Å
252L98.7Very high97.6Very high2 Ų218.2 Ų18.21%0.0110%0.098CC..Hα-helixtrans-65.7-51.8175.1-72.9164.5000111.7L218 W248 I249 Q250 E254 G255 A257 L260 G262 F263 I293 L367L218-L252 HydrophobicContact CD1-CB 4.08Å; W248-L252 WeakPolarHBondContact O-CG 3.3Å; W248-L252 PolarHBondContact O-N 2.93Å; I249-L252 PolarHBondContact O-N 3.36Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.22Å; L252-E254 PolarHBondContact O-N 2.99Å; L252-G255 PolarHBondContact O-N 3.31Å; L252-A257 HydrophobicContact CD2-CB 3.7Å; L252-A257 HydrophobicContact CG-CB 4.46Å; L252-L260 HydrophobicContact CD2-CB 4.15Å; L252-L260 HydrophobicContact CD2-CD1 4Å; L252-G262 VanDerWaalsContact CD2-O 3.25Å; L252-G262 WeakPolarHBondContact CD2-O 3.31Å; L252-F263 HydrophobicContact CD1-CD1 3.84Å; L252-F263 HydrophobicContact CD1-CD2 4.3Å; L252-F263 HydrophobicContact CD1-CE1 3.86Å; L252-F263 HydrophobicContact CD1-CE2 4.3Å; L252-F263 HydrophobicContact CD1-CG 4.09Å; L252-F263 HydrophobicContact CD1-CZ 4.11Å; L252-I293 HydrophobicContact CD1-CG2 3.81Å; L252-I293 HydrophobicContact CD2-CD1 4.36Å; L252-I293 HydrophobicContact CD2-CG2 4.04Å; L252-I293 HydrophobicContact CG-CG2 3.88Å; L252-L367 HydrophobicContact CB-CD2 3.83Å; L252-L367 HydrophobicContact CD1-CD2 3.91Å
253A98.6Very high97.6Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-68-34.1-17000000113.6E217 L218 Y219 I249 Q250 G255 V369E217-A253 CarbonylContact C-O 3.46Å; E217-A253 WeakPolarHBondContact CA-O 3.16Å; E217-A253 WeakPolarHBondContact CB-O 3.47Å; L218-A253 PolarHBondContact N-O 3.14Å; Y219-A253 HydrophobicContact CD1-CB 4.2Å; Y219-A253 WeakPolarHBondContact CD2-O 2.98Å; Y219-A253 HydrophobicContact CE1-CB 3.67Å; Y219-A253 HydrophobicContact CE2-CB 4.11Å; Y219-A253 VanDerWaalsContact CE2-O 3.3Å; Y219-A253 WeakPolarHBondContact CE2-O 3.49Å; I249-A253 WeakPolarHBondContact O-CB 3.38Å; I249-A253 PolarHBondContact O-N 3.37Å; Q250-A253 PolarHBondContact O-N 3.23Å; A253-G255 PolarHBondContact O-N 3.29Å; A253-V369 HydrophobicContact CB-CB 4.02Å; A253-V369 HydrophobicContact CB-CG1 4.42Å; A253-V369 HydrophobicContact CB-CG2 3.64Å
254E98.2Very high97.7Very high0 Ų010.2 Ų10.20%06%0.055CC..THydrogen-bonded Turntrans-77.9-6174.6-61177.6-170.100113.1Y219 Q250 L252 W256 R372 T385 P386Y219-E254 HydrophobicContact CE2-CG 4.1Å; Y219-E254 WeakPolarHBondContact OH-CG 3.36Å; Q250-E254 VanDerWaalsContact CD-OE1 3.23Å; Q250-E254 HydrophobicContact CG-CG 4.19Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.3Å; Q250-E254 PolarHBondContact NE2-OE1 3Å; Q250-E254 WeakPolarHBondContact O-CB 3.47Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 3.37Å; L252-E254 PolarHBondContact O-N 2.99Å; E254-W256 PolarHBondContact OE2-NE1 2.95Å; E254-R372 VanDerWaalsContact CD-NH1 3.32Å; E254-R372 IonicContact OE1-CZ 2.94Å; E254-R372 IonicContact OE1-NH1 3.55Å; E254-R372 PolarHBondContact OE1-NH1 3.34Å; E254-R372 IonicContact OE1-NH2 2.77Å; E254-R372 PolarHBondContact OE1-NH2 3.06Å; E254-R372 IonicContact OE2-NH2 3.35Å; E254-T385 HydrophobicContact CB-CG2 3.93Å; E254-T385 HydrophobicContact CG-CG2 3.76Å; E254-P386 WeakPolarHBondContact O-CD 3.35Å
255G97.2Very high97.7Very high0 Ų010.3 Ų10.30%05%0.053CC..THydrogen-bonded Turntrans85.513176.800000115.6K216 L252 A253 A257 T258K216-G255 WeakPolarHBondContact O-CA 3.47Å; L252-G255 PolarHBondContact O-N 3.31Å; A253-G255 PolarHBondContact O-N 3.29Å; G255-A257 PolarHBondContact O-N 3.47Å; G255-T258 WeakPolarHBondContact O-CB 3.45Å; G255-T258 PolarHBondContact O-N 3.02Å; G255-T258 PolarHBondContact O-OG1 3.01Å
256W97.8Very high97.7Very high0 Ų012.8 Ų12.80%06%0.064CC..THydrogen-bonded Turntrans-62.8-23.9171.1-61.3104000112.9T251 E254 P386 L389 H439 F478 W492 R495 T496 L499 A500T251-W256 HydrophobicContact CG2-CB 3.83Å; T251-W256 WeakPolarHBondContact O-CB 3.4Å; T251-W256 PolarHBondContact O-N 2.8Å; T251-W256 VanDerWaalsContact O-N 3.15Å; E254-W256 PolarHBondContact OE2-NE1 2.95Å; W256-P386 HydrophobicContact CD2-CG 3.54Å; W256-P386 VanDerWaalsContact CE2-CD 3.48Å; W256-P386 HydrophobicContact CE3-CG 3.61Å; W256-P386 HydrophobicContact CG-CG 4.18Å; W256-P386 HydrophobicContact CH2-CG 3.8Å; W256-P386 HydrophobicContact CZ2-CG 3.72Å; W256-P386 HydrophobicContact CZ3-CG 3.76Å; W256-L389 HydrophobicContact CH2-CD1 3.52Å; W256-L389 HydrophobicContact CZ2-CD1 4.15Å; W256-H439 AromaticContact CH2-CE1 3.47Å; W256-H439 VanDerWaalsContact CH2-CE1 3.47Å; W256-H439 WeakPolarHBondContact CH2-CE1 3.5Å; W256-H439 AromaticContact CH2-NE2 3.88Å; W256-H439 AromaticContact CZ3-CE1 3.94Å; W256-F478 HydrophobicContact CB-CE2 4.23Å; W256-F478 AromaticContact CD2-CD2 3.91Å; W256-F478 HydrophobicContact CD2-CD2 3.91Å; W256-F478 AromaticContact CD2-CE2 3.8Å; W256-F478 HydrophobicContact CD2-CE2 3.8Å; W256-F478 AromaticContact CE3-CD2 3.96Å; W256-F478 HydrophobicContact CE3-CD2 3.96Å; W256-F478 AromaticContact CE3-CE2 3.86Å; W256-F478 HydrophobicContact CE3-CE2 3.86Å; W256-F478 HydrophobicContact CG-CD2 4.44Å; W256-F478 AromaticContact CG-CE2 3.99Å; W256-F478 HydrophobicContact CG-CE2 3.99Å; W256-F478 HydrophobicContact CH2-CD2 4.39Å; W256-F478 HydrophobicContact CZ2-CD2 4.36Å; W256-F478 HydrophobicContact CZ3-CD2 4.18Å; W256-F478 HydrophobicContact CZ3-CE2 4.48Å; W256-W492 WeakPolarHBondContact O-CH2 3.29Å; W256-R495 PolarHBondContact O-NH1 3.47Å; W256-R495 VanDerWaalsContact O-NH1 3.14Å; W256-T496 HydrophobicContact CB-CG2 4.21Å; W256-T496 HydrophobicContact CE3-CG2 4.42Å; W256-T496 VanDerWaalsContact CZ3-O 3.31Å; W256-T496 WeakPolarHBondContact CZ3-O 3.06Å; W256-L499 WeakPolarHBondContact O-CD1 3.16Å; W256-A500 HydrophobicContact CH2-CB 4.02Å; W256-A500 HydrophobicContact CZ3-CB 3.81Å
257A97.6Very high97.6Very high2 Ų217.8 Ų17.82%0.0179%0.09CC..THydrogen-bonded Turntrans-100.213.1-179.600000113.7L252 G255 L260 F289 I293 W492L252-A257 HydrophobicContact CD2-CB 3.7Å; L252-A257 HydrophobicContact CG-CB 4.46Å; G255-A257 PolarHBondContact O-N 3.47Å; A257-L260 HydrophobicContact CB-CB 4.47Å; A257-L260 HydrophobicContact CB-CD1 4.17Å; A257-L260 WeakPolarHBondContact O-CB 3.5Å; A257-L260 PolarHBondContact O-N 3.39Å; A257-F289 HydrophobicContact CB-CZ 4.1Å; A257-F289 WeakPolarHBondContact O-CE2 3.12Å; A257-I293 HydrophobicContact CB-CD1 3.62Å; A257-W492 HydrophobicContact CB-CH2 4.22Å
258T94.7Very high97.6Very high10 Ų1018.2 Ų18.26%0.0619%0.092CC..THydrogen-bonded Turntrans-46.5124.2175.5-63.80000110.5P213 M214 P215 K216 G255 R495 L499P213-T258 HydrophobicContact CB-CG2 4.46Å; M214-T258 WeakPolarHBondContact O-CG2 3.09Å; P215-T258 WeakPolarHBondContact CA-OG1 3.17Å; K216-T258 HydrophobicContact CB-CG2 4.02Å; K216-T258 PolarHBondContact N-OG1 3.46Å; G255-T258 WeakPolarHBondContact O-CB 3.45Å; G255-T258 PolarHBondContact O-N 3.02Å; G255-T258 PolarHBondContact O-OG1 3.01Å; T258-R495 PolarHBondContact O-NH2 2.85Å; T258-L499 HydrophobicContact CG2-CD2 4.42Å
259P92.7Very high97.6Very high34 Ų3417.7 Ų17.722%0.2219%0.09CC..THydrogen-bonded Turncis-102.19.522.339.3-38.1000116.1L278 L280P259-L278 HydrophobicContact CG-CD2 4.29Å; P259-L280 HydrophobicContact CB-CD1 3.68Å; P259-L280 HydrophobicContact CB-CG 4.48Å; P259-L280 HydrophobicContact CG-CD1 3.67Å; P259-L280 HydrophobicContact CG-CG 3.94Å; P259-L280 WeakPolarHBondContact O-CD1 3.34Å
260L96.4Very high97.6Very high3 Ų320.2 Ų20.22%0.01610%0.104CC..  trans-52143.3-175.4-72.1179.1000112.6L252 A257 M264 L278 F289 I293L252-L260 HydrophobicContact CD2-CB 4.15Å; L252-L260 HydrophobicContact CD2-CD1 4Å; A257-L260 HydrophobicContact CB-CB 4.47Å; A257-L260 HydrophobicContact CB-CD1 4.17Å; A257-L260 WeakPolarHBondContact O-CB 3.5Å; A257-L260 PolarHBondContact O-N 3.39Å; L260-M264 HydrophobicContact CD1-CE 3.59Å; L260-M264 HydrophobicContact CD1-CG 4Å; L260-M264 HydrophobicContact CD2-CE 4.35Å; L260-M264 HydrophobicContact CD2-CG 3.95Å; L260-M264 HydrophobicContact CG-CE 4.5Å; L260-L278 HydrophobicContact CD2-CD1 4.49Å; L260-L278 HydrophobicContact CD2-CD2 3.54Å; L260-L278 HydrophobicContact CG-CD2 3.97Å; L260-F289 HydrophobicContact CD1-CE1 4.32Å; L260-F289 HydrophobicContact CD1-CE2 3.96Å; L260-F289 HydrophobicContact CD1-CZ 3.55Å; L260-F289 HydrophobicContact CG-CE2 3.97Å; L260-F289 HydrophobicContact CG-CZ 4.1Å; L260-I293 HydrophobicContact CD1-CB 4.47Å; L260-I293 HydrophobicContact CD1-CD1 4.48Å
261N95.9Very high97.6Very high54 Ų5422.3 Ų22.329%0.28911%0.113SC..  trans-87.6-9.8173.6-71.2-59.5000113.3K216 L218 L367K216-N261 WeakPolarHBondContact CE-OD1 3.41Å; K216-N261 PolarHBondContact NZ-OD1 3.33Å; L218-N261 WeakPolarHBondContact CD1-O 3.28Å; N261-L367 PolarHBondContact O-N 2.83Å
262G98.3Very high97.6Very high1 Ų122.3 Ų22.31%0.0111%0.113CC..SBendtrans163.9-152-173.400000110.4L252 G365L252-G262 VanDerWaalsContact CD2-O 3.25Å; L252-G262 WeakPolarHBondContact CD2-O 3.31Å; G262-G365 WeakPolarHBondContact CA-O 3.48Å
263F98.7Very high97.5Very high0 Ų022.2 Ų22.20%011%0.113CC..SBendtrans-65.4141173.2-67.3-73.7000110.7W248 I249 L252 I293 L295 L324 V363 G364 G365W248-F263 HydrophobicContact CB-CE1 4.09Å; I249-F263 HydrophobicContact CD1-CE2 4.34Å; I249-F263 HydrophobicContact CD1-CZ 4.41Å; I249-F263 HydrophobicContact CG1-CE2 3.77Å; I249-F263 HydrophobicContact CG1-CZ 3.63Å; L252-F263 HydrophobicContact CD1-CD1 3.84Å; L252-F263 HydrophobicContact CD1-CD2 4.3Å; L252-F263 HydrophobicContact CD1-CE1 3.86Å; L252-F263 HydrophobicContact CD1-CE2 4.3Å; L252-F263 HydrophobicContact CD1-CG 4.09Å; L252-F263 HydrophobicContact CD1-CZ 4.11Å; F263-I293 HydrophobicContact CD1-CG2 4.09Å; F263-I293 HydrophobicContact CE1-CG2 4.19Å; F263-L295 HydrophobicContact CB-CB 4.24Å; F263-L295 HydrophobicContact CD1-CB 3.76Å; F263-L295 HydrophobicContact CD2-CB 3.72Å; F263-L295 HydrophobicContact CD2-CD2 3.96Å; F263-L295 HydrophobicContact CD2-CG 4.43Å; F263-L295 HydrophobicContact CE1-CB 3.91Å; F263-L295 HydrophobicContact CE2-CB 3.89Å; F263-L295 HydrophobicContact CE2-CD1 4.37Å; F263-L295 HydrophobicContact CE2-CD2 3.79Å; F263-L295 HydrophobicContact CE2-CG 4.25Å; F263-L295 HydrophobicContact CG-CB 3.64Å; F263-L295 HydrophobicContact CZ-CB 3.96Å; F263-L295 HydrophobicContact CZ-CD1 4.15Å; F263-L295 HydrophobicContact CZ-CD2 4.39Å; F263-L295 HydrophobicContact CZ-CG 4.41Å; F263-L324 HydrophobicContact CD2-CD1 4.24Å; F263-V363 WeakPolarHBondContact CB-O 3.44Å; F263-G364 CarbonylContact O-C 3.5Å; F263-G364 VanDerWaalsContact O-CA 3.24Å; F263-G364 WeakPolarHBondContact O-CA 3.22Å; F263-G365 PolarHBondContact O-N 2.93Å
264M98.6Very high97.5Very high0 Ų027.6 Ų27.60%013%0.134CC..PPolyproline II helixtrans-63.5135.1-172.6-69174.7-175.700112.2L260 E268 V272 F289 P292 I293 V294 G364L260-M264 HydrophobicContact CD1-CE 3.59Å; L260-M264 HydrophobicContact CD1-CG 4Å; L260-M264 HydrophobicContact CD2-CE 4.35Å; L260-M264 HydrophobicContact CD2-CG 3.95Å; L260-M264 HydrophobicContact CG-CE 4.5Å; M264-E268 WeakPolarHBondContact CA-OE2 3.43Å; M264-E268 HydrophobicContact CB-CB 3.95Å; M264-E268 HydrophobicContact CG-CB 4.07Å; M264-V272 HydrophobicContact CE-CB 4.29Å; M264-V272 HydrophobicContact CE-CG1 4.35Å; M264-V272 HydrophobicContact CE-CG2 3.66Å; M264-V272 HydrophobicContact SD-CB 4.24Å; M264-V272 HydrophobicContact SD-CG2 4.01Å; M264-F289 HydrophobicContact CE-CD1 3.82Å; M264-F289 HydrophobicContact CE-CE1 3.53Å; M264-F289 HydrophobicContact CE-CZ 4.01Å; M264-P292 HydrophobicContact SD-CB 4.07Å; M264-I293 WeakPolarHBondContact CG-O 3.29Å; M264-I293 PolarHBondContact N-O 3.4Å; M264-V294 HydrophobicContact CB-CG1 4.2Å; M264-G364 WeakPolarHBondContact O-CA 3.35Å
265R98Very high97.4Very high43 Ų4334.5 Ų34.516%0.16216%0.164CC..PPolyproline II helixtrans-73.8171.1162.5-71.3179.4-178.579.1-9.5111N267 E268 Y269 N326 E328 D366R265-N267 PolarHBondContact O-N 3.49Å; R265-E268 PolarHBondContact N-OE2 2.98Å; R265-E268 PolarHBondContact O-N 3.48Å; R265-E268 VanDerWaalsContact O-N 3.12Å; R265-Y269 WeakPolarHBondContact O-CB 3.15Å; R265-Y269 PolarHBondContact O-N 3.46Å; R265-N326 PolarHBondContact NH2-O 3.14Å; R265-N326 VanDerWaalsContact NH2-O 3.09Å; R265-E328 VanDerWaalsContact CB-OE2 3.29Å; R265-E328 WeakPolarHBondContact CB-OE2 3.45Å; R265-E328 VanDerWaalsContact CD-OE2 3.24Å; R265-E328 WeakPolarHBondContact CD-OE2 3.39Å; R265-E328 HydrophobicContact CG-CB 4.02Å; R265-E328 WeakPolarHBondContact CG-OE2 3.5Å; R265-D366 IonicContact CZ-OD1 2.74Å; R265-D366 IonicContact NH1-OD1 3.45Å; R265-D366 PolarHBondContact NH1-OD1 2.93Å; R265-D366 VanDerWaalsContact NH2-CG 3.31Å; R265-D366 IonicContact NH2-OD1 3.51Å; R265-D366 PolarHBondContact NH2-OD1 2.94Å; R265-D366 IonicContact NH2-OD2 3.57Å; R265-D366 PolarHBondContact NH2-OD2 3.22Å
266E98.1Very high97.4Very high77 Ų7735.1 Ų35.136%0.3617%0.171SC..Hα-helixtrans-58.9-46.7-172.6-172.5170-144.600111.8E268 Y269 L270 E328 F330E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 3.23Å; E266-Y269 WeakPolarHBondContact O-CB 3.34Å; E266-Y269 PolarHBondContact O-N 3.32Å; E266-L270 HydrophobicContact CG-CD1 3.9Å; E266-L270 HydrophobicContact CG-CG 4.25Å; E266-L270 WeakPolarHBondContact O-CB 3.46Å; E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.31Å; E266-L270 PolarHBondContact O-N 3.04Å; E266-E328 WeakPolarHBondContact CB-OE1 3.45Å; E266-E328 PolarHBondContact N-OE1 2.85Å; E266-F330 HydrophobicContact CB-CB 4.13Å; E266-F330 HydrophobicContact CB-CD1 3.85Å; E266-F330 HydrophobicContact CB-CD2 3.96Å; E266-F330 HydrophobicContact CB-CE1 4.23Å; E266-F330 HydrophobicContact CB-CE2 4.29Å; E266-F330 HydrophobicContact CB-CG 3.72Å; E266-F330 HydrophobicContact CB-CZ 4.43Å; E266-F330 HydrophobicContact CG-CB 4.24Å; E266-F330 HydrophobicContact CG-CD2 3.88Å; E266-F330 HydrophobicContact CG-CE2 4.37Å; E266-F330 HydrophobicContact CG-CG 4.02Å
267N97.8Very high97.3Very high114 Ų11437.7 Ų37.761%0.6118%0.183SC*.Hα-helixtrans-62.8-35.6178.7-75-28000113.3R265 Q271R265-N267 PolarHBondContact O-N 3.49Å; N267-Q271 WeakPolarHBondContact O-CB 2.87Å; N267-Q271 WeakPolarHBondContact O-CG 3.18Å; N267-Q271 PolarHBondContact O-N 3.4Å; N267-Q271 PolarHBondContact O-NE2 3.42Å; N267-Q271 VanDerWaalsContact O-NE2 3.08Å
268E98.2Very high97.1Very high23 Ų2337.6 Ų37.611%0.10718%0.182CC..Hα-helixtrans-72.9-43.3177.3-62.5169148.500110.1M264 R265 E266 Q271 V272 L278 L280M264-E268 WeakPolarHBondContact CA-OE2 3.43Å; M264-E268 HydrophobicContact CB-CB 3.95Å; M264-E268 HydrophobicContact CG-CB 4.07Å; R265-E268 PolarHBondContact N-OE2 2.98Å; R265-E268 PolarHBondContact O-N 3.48Å; R265-E268 VanDerWaalsContact O-N 3.12Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 3.23Å; E268-Q271 PolarHBondContact O-N 2.78Å; E268-V272 WeakPolarHBondContact O-CG2 3.15Å; E268-V272 PolarHBondContact O-N 2.99Å; E268-V272 VanDerWaalsContact O-N 3.1Å; E268-L278 HydrophobicContact CB-CD1 3.88Å; E268-L278 HydrophobicContact CG-CD1 4.08Å; E268-L280 HydrophobicContact CG-CD2 4.46Å; E268-L280 WeakPolarHBondContact OE1-CD2 3.19Å
269Y98.7Very high96.9Very high5 Ų540.8 Ų40.82%0.0220%0.197CC..Hα-helixtrans-58.4-49.9176.1166.9-105.4000111.7R265 E266 V272 L273 P292 V294 F330 R337 L362R265-Y269 WeakPolarHBondContact O-CB 3.15Å; R265-Y269 PolarHBondContact O-N 3.46Å; E266-Y269 WeakPolarHBondContact O-CB 3.34Å; E266-Y269 PolarHBondContact O-N 3.32Å; Y269-V272 PolarHBondContact O-N 3.3Å; Y269-L273 HydrophobicContact CE1-CD2 4.02Å; Y269-L273 VanDerWaalsContact O-CB 3.32Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 PolarHBondContact O-N 3.21Å; Y269-P292 HydrophobicContact CD2-CB 3.84Å; Y269-P292 HydrophobicContact CD2-CG 4.29Å; Y269-P292 HydrophobicContact CE2-CB 4.07Å; Y269-P292 HydrophobicContact CE2-CG 4.22Å; Y269-V294 HydrophobicContact CD2-CG1 3.72Å; Y269-V294 HydrophobicContact CE2-CG1 4.36Å; Y269-V294 HydrophobicContact CG-CG1 4.49Å; Y269-F330 AromaticContact CD1-CE2 3.63Å; Y269-F330 HydrophobicContact CD1-CE2 3.63Å; Y269-F330 HydrophobicContact CD1-CZ 4.32Å; Y269-F330 HydrophobicContact CE1-CE2 4.25Å; Y269-F330 AromaticContact CG-CE2 3.92Å; Y269-F330 HydrophobicContact CG-CE2 3.92Å; Y269-F330 HydrophobicContact CG-CZ 4.15Å; Y269-R337 HydrophobicContact CE2-CG 4.44Å; Y269-R337 WeakPolarHBondContact OH-CB 3.24Å; Y269-L362 HydrophobicContact CD2-CD1 4.31Å; Y269-L362 HydrophobicContact CE2-CD1 4.14Å
270L98.5Very high96.6Very high55 Ų5540.3 Ų40.329%0.28819%0.192SC..Hα-helixtrans-65.2-40.7-179.4-69.6175.9000112.1E266 V272 L273 Y274E266-L270 HydrophobicContact CG-CD1 3.9Å; E266-L270 HydrophobicContact CG-CG 4.25Å; E266-L270 WeakPolarHBondContact O-CB 3.46Å; E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.31Å; E266-L270 PolarHBondContact O-N 3.04Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.26Å; L270-L273 PolarHBondContact O-N 3.27Å; L270-Y274 HydrophobicContact CD2-CD2 4.3Å; L270-Y274 HydrophobicContact CD2-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CB 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.28Å; L270-Y274 PolarHBondContact O-N 3.42Å
271Q98.1Very high95.8Very high45 Ų4545.8 Ų45.821%0.2123%0.23CC..Hα-helixtrans-57.4-48.3174.4-79.2176.472.100111.5N267 E268 F275 G276 Q277 Q279N267-Q271 WeakPolarHBondContact O-CB 2.87Å; N267-Q271 WeakPolarHBondContact O-CG 3.18Å; N267-Q271 PolarHBondContact O-N 3.4Å; N267-Q271 PolarHBondContact O-NE2 3.42Å; N267-Q271 VanDerWaalsContact O-NE2 3.08Å; E268-Q271 PolarHBondContact O-N 2.78Å; Q271-F275 HydrophobicContact CB-CD2 4.26Å; Q271-F275 HydrophobicContact CG-CD2 4.3Å; Q271-F275 HydrophobicContact CG-CE2 4.47Å; Q271-F275 WeakPolarHBondContact O-CA 3.34Å; Q271-F275 VanDerWaalsContact O-CB 3.26Å; Q271-F275 WeakPolarHBondContact O-CB 3.34Å; Q271-F275 PolarHBondContact O-N 3.39Å; Q271-G276 PolarHBondContact O-N 3.4Å; Q271-Q277 CarbonylContact C-O 3.47Å; Q271-Q277 VanDerWaalsContact C-O 3.22Å; Q271-Q277 WeakPolarHBondContact CB-O 3.49Å; Q271-Q279 PolarHBondContact NE2-O 2.91Å; Q271-Q279 PolarHBondContact OE1-O 3.16Å
272V98.2Very high94.8Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-65-45.9178.6170.40000110.3M264 E268 Y269 L270 Y274 G276 Q277 L278 F289 P292 R488M264-V272 HydrophobicContact CE-CB 4.29Å; M264-V272 HydrophobicContact CE-CG1 4.35Å; M264-V272 HydrophobicContact CE-CG2 3.66Å; M264-V272 HydrophobicContact SD-CB 4.24Å; M264-V272 HydrophobicContact SD-CG2 4.01Å; E268-V272 WeakPolarHBondContact O-CG2 3.15Å; E268-V272 PolarHBondContact O-N 2.99Å; E268-V272 VanDerWaalsContact O-N 3.1Å; Y269-V272 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.26Å; V272-Y274 PolarHBondContact O-N 3.47Å; V272-G276 WeakPolarHBondContact O-CA 3.5Å; V272-G276 PolarHBondContact O-N 3.15Å; V272-Q277 PolarHBondContact N-O 3.5Å; V272-L278 HydrophobicContact CG2-CB 4.25Å; V272-L278 HydrophobicContact CG2-CD1 4.41Å; V272-F289 HydrophobicContact CG1-CD1 4.39Å; V272-F289 WeakPolarHBondContact CG1-O 3.44Å; V272-F289 HydrophobicContact CG2-CB 3.92Å; V272-F289 HydrophobicContact CG2-CD1 4.08Å; V272-F289 HydrophobicContact CG2-CG 4.12Å; V272-P292 HydrophobicContact CB-CG 4.48Å; V272-P292 HydrophobicContact CG1-CB 4.23Å; V272-P292 HydrophobicContact CG1-CG 3.7Å; V272-R488 PolarHBondContact O-NH2 2.72Å
273L98Very high93.5Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-58.8-49.1-176.9-165.867.3000112.3Y269 L270 P292 E336 H340 I341 R488Y269-L273 HydrophobicContact CE1-CD2 4.02Å; Y269-L273 VanDerWaalsContact O-CB 3.32Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 PolarHBondContact O-N 3.21Å; L270-L273 PolarHBondContact O-N 3.27Å; L273-P292 HydrophobicContact CD1-CG 4.38Å; L273-E336 HydrophobicContact CD2-CG 4.18Å; L273-H340 HydrophobicContact CD1-CB 3.48Å; L273-H340 VanDerWaalsContact CD1-CB 3.48Å; L273-H340 HydrophobicContact CD2-CB 4.42Å; L273-H340 HydrophobicContact CG-CB 3.7Å; L273-I341 HydrophobicContact CD1-CD1 4.42Å; L273-I341 HydrophobicContact CD1-CG1 4Å; L273-R488 PolarHBondContact O-NH1 2.69Å; L273-R488 PolarHBondContact O-NH2 3.02Å
274Y97.7Very high92Very high113 Ų11355.5 Ų55.544%0.44329%0.29SS..Hα-helixtrans-91-32.8-172.7-78.1-87000114.5L270 V272 E336 H340L270-Y274 HydrophobicContact CD2-CD2 4.3Å; L270-Y274 HydrophobicContact CD2-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CB 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.28Å; L270-Y274 PolarHBondContact O-N 3.42Å; V272-Y274 PolarHBondContact O-N 3.47Å; Y274-E336 WeakPolarHBondContact CE2-OE1 3.49Å; Y274-E336 PolarHBondContact OH-OE1 2.89Å; Y274-H340 AromaticContact CD1-CE1 3.69Å; Y274-H340 AromaticContact CE1-CE1 3.41Å; Y274-H340 VanDerWaalsContact CE1-CE1 3.41Å; Y274-H340 WeakPolarHBondContact CE1-CE1 3.34Å; Y274-H340 AromaticContact CE1-NE2 3.5Å; Y274-H340 AromaticContact CZ-CE1 3.95Å; Y274-H340 AromaticContact CZ-NE2 3.62Å
275F96.3Very high90.9Very high145 Ų14558.9 Ų58.964%0.63631%0.31SS*.Hα-helixtrans-110.5-14.8-173.5-47.7-49.4000113.5Q271 Q277Q271-F275 HydrophobicContact CB-CD2 4.26Å; Q271-F275 HydrophobicContact CG-CD2 4.3Å; Q271-F275 HydrophobicContact CG-CE2 4.47Å; Q271-F275 WeakPolarHBondContact O-CA 3.34Å; Q271-F275 VanDerWaalsContact O-CB 3.26Å; Q271-F275 WeakPolarHBondContact O-CB 3.34Å; Q271-F275 PolarHBondContact O-N 3.39Å; F275-Q277 HydrophobicContact CB-CB 4.2Å; F275-Q277 PolarHBondContact O-N 3.49Å
276G96.7Very high90.3Very high14 Ų1461 Ų6114%0.14432%0.324CS..SBendtrans60.727.2-171.800000112.1Q271 V272 F289Q271-G276 PolarHBondContact O-N 3.4Å; V272-G276 WeakPolarHBondContact O-CA 3.5Å; V272-G276 PolarHBondContact O-N 3.15Å; G276-F289 CarbonylContact C-O 3.51Å; G276-F289 VanDerWaalsContact CA-O 3.28Å; G276-F289 WeakPolarHBondContact CA-O 3.31Å; G276-F289 CarbonylContact O-C 3.53Å; G276-F289 PolarHBondContact O-N 3.37Å; G276-F289 VanDerWaalsContact O-O 3.08Å
277Q95.7Very high89.8Confident54 Ų5458.3 Ų58.325%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-140159.1-175.3-70.3-178.1-31.400110Q271 V272 F275 I286 T287 F289Q271-Q277 CarbonylContact C-O 3.47Å; Q271-Q277 VanDerWaalsContact C-O 3.22Å; Q271-Q277 WeakPolarHBondContact CB-O 3.49Å; V272-Q277 PolarHBondContact N-O 3.5Å; F275-Q277 HydrophobicContact CB-CB 4.2Å; F275-Q277 PolarHBondContact O-N 3.49Å; Q277-I286 HydrophobicContact CB-CG2 3.84Å; Q277-I286 HydrophobicContact CG-CG2 4.08Å; Q277-T287 CarbonylContact C-O 3.59Å; Q277-T287 VanDerWaalsContact CA-O 3.25Å; Q277-T287 WeakPolarHBondContact CA-O 3.3Å; Q277-F289 PolarHBondContact N-O 3.13Å
278L94.4Very high89.7Confident0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-136.5127.9176.418068.6000110.3P259 L260 E268 V272 L280 T287 F289P259-L278 HydrophobicContact CG-CD2 4.29Å; L260-L278 HydrophobicContact CD2-CD1 4.49Å; L260-L278 HydrophobicContact CD2-CD2 3.54Å; L260-L278 HydrophobicContact CG-CD2 3.97Å; E268-L278 HydrophobicContact CB-CD1 3.88Å; E268-L278 HydrophobicContact CG-CD1 4.08Å; V272-L278 HydrophobicContact CG2-CB 4.25Å; V272-L278 HydrophobicContact CG2-CD1 4.41Å; L278-L280 HydrophobicContact CD1-CD2 4.23Å; L278-L280 HydrophobicContact CD2-CD2 4.14Å; L278-L280 HydrophobicContact CG-CD2 4.22Å; L278-T287 PolarHBondContact N-O 2.98Å; L278-T287 PolarHBondContact O-N 3.33Å; L278-F289 HydrophobicContact CB-CB 3.73Å; L278-F289 HydrophobicContact CB-CD2 4.02Å; L278-F289 HydrophobicContact CB-CG 4.16Å; L278-F289 HydrophobicContact CD2-CD2 3.61Å; L278-F289 HydrophobicContact CD2-CE2 3.96Å; L278-F289 HydrophobicContact CD2-CG 4.36Å; L278-F289 HydrophobicContact CG-CD2 4.49Å
279Q90.9Very high89.6Confident77 Ų7751.8 Ų51.836%0.3628%0.279SS..  trans-124118166.3-173.2-179.8-2.700108.8Q271 S283 I286Q271-Q279 PolarHBondContact NE2-O 2.91Å; Q271-Q279 PolarHBondContact OE1-O 3.16Å; Q279-S283 VanDerWaalsContact CG-O 3.24Å; Q279-S283 WeakPolarHBondContact CG-O 3.08Å; Q279-S283 PolarHBondContact NE2-O 3.12Å; Q279-I286 HydrophobicContact CB-CG1 4.19Å; Q279-I286 HydrophobicContact CG-CG1 4.33Å
280L86.3Confident89.6Confident23 Ų2351.6 Ų51.612%0.1228%0.278CS..  trans-75.1147.8173.8-60.6-175.2000110P259 E268 L278 N282 S283P259-L280 HydrophobicContact CB-CD1 3.68Å; P259-L280 HydrophobicContact CB-CG 4.48Å; P259-L280 HydrophobicContact CG-CD1 3.67Å; P259-L280 HydrophobicContact CG-CG 3.94Å; P259-L280 WeakPolarHBondContact O-CD1 3.34Å; E268-L280 HydrophobicContact CG-CD2 4.46Å; E268-L280 WeakPolarHBondContact OE1-CD2 3.19Å; L278-L280 HydrophobicContact CD1-CD2 4.23Å; L278-L280 HydrophobicContact CD2-CD2 4.14Å; L278-L280 HydrophobicContact CG-CD2 4.22Å; L280-N282 PolarHBondContact O-N 3.35Å; L280-S283 PolarHBondContact O-N 2.86Å
281S79.5Confident89.5Confident118 Ų11849 Ų4983%0.82527%0.265SS*.THydrogen-bonded Turntrans-52.3-34.3-176.860.60000114.3
282N73.8Confident89.6Confident161 Ų16147 Ų4786%0.86126%0.255SS*.THydrogen-bonded Turntrans-97.711.3-176.5-57.4-4.6000112.3L280L280-N282 PolarHBondContact O-N 3.35Å
283S71.3Confident89.6Confident43 Ų4347 Ų4730%0.30126%0.255SS..  trans-128.4135.7-178.8-178.30000110.3Q279 L280 V285Q279-S283 VanDerWaalsContact CG-O 3.24Å; Q279-S283 WeakPolarHBondContact CG-O 3.08Å; Q279-S283 PolarHBondContact NE2-O 3.12Å; L280-S283 PolarHBondContact O-N 2.86Å; S283-V285 VanDerWaalsContact C-N 3.28Å; S283-V285 WeakPolarHBondContact OG-CB 3.38Å; S283-V285 PolarHBondContact OG-N 3.45Å; S283-V285 VanDerWaalsContact OG-N 3.08Å
284S68.1Low89.6Confident56 Ų5647.4 Ų47.439%0.39226%0.258SS..  trans-88.80.6170.560.80000112.2K22K22-S284 WeakPolarHBondContact CD-OG 3.42Å; K22-S284 VanDerWaalsContact CE-CB 3.43Å; K22-S284 WeakPolarHBondContact CE-OG 3.44Å; K22-S284 WeakPolarHBondContact CG-OG 3.37Å; K22-S284 PolarHBondContact NZ-O 2.93Å
285V74.8Confident89.6Confident70 Ų7042.1 Ų42.142%0.42424%0.237SC..  trans-87.6120.6-179.9-178.60000109.6S283S283-V285 VanDerWaalsContact C-N 3.28Å; S283-V285 WeakPolarHBondContact OG-CB 3.38Å; S283-V285 PolarHBondContact OG-N 3.45Å; S283-V285 VanDerWaalsContact OG-N 3.08Å
286I84.8Confident89.7Confident89 Ų8936.4 Ų36.446%0.45622%0.217SC..  trans-90.8121.8170.5-58.5170.4000107.5Q277 Q279Q277-I286 HydrophobicContact CB-CG2 3.84Å; Q277-I286 HydrophobicContact CG-CG2 4.08Å; Q279-I286 HydrophobicContact CB-CG1 4.19Å; Q279-I286 HydrophobicContact CG-CG1 4.33Å
287T88.3Confident89.8Confident20 Ų2035.8 Ų35.812%0.12321%0.21CC..EExtended strand (participates in β ladder)trans-109.2144.1-179.1-48.10000109.7Q277 L278 F289Q277-T287 CarbonylContact C-O 3.59Å; Q277-T287 VanDerWaalsContact CA-O 3.25Å; Q277-T287 WeakPolarHBondContact CA-O 3.3Å; L278-T287 PolarHBondContact N-O 2.98Å; L278-T287 PolarHBondContact O-N 3.33Å; T287-F289 PolarHBondContact O-N 2.73Å
288N94.4Very high89.8Confident0 Ų034.9 Ų34.90%021%0.21CC..EExtended strand (participates in β ladder)trans-54.7132.1164.9-172.2-87.2000109Q491 R495 P538 L540N288-Q491 PolarHBondContact ND2-OE1 3.49Å; N288-Q491 VanDerWaalsContact ND2-OE1 3.08Å; N288-R495 WeakPolarHBondContact O-CD 3.41Å; N288-R495 PolarHBondContact O-NE 2.93Å; N288-P538 VanDerWaalsContact CB-O 3.23Å; N288-P538 WeakPolarHBondContact CB-O 3.43Å; N288-P538 PolarHBondContact ND2-O 2.72Å; N288-L540 HydrophobicContact CB-CD2 3.88Å; N288-L540 HydrophobicContact CB-CG 3.92Å
289F97.2Very high89.9Confident0 Ų037.7 Ų37.70%023%0.225CC..  trans-158.799.2173.5-145.9-57.2000108A257 L260 M264 V272 G276 Q277 L278 T287 I291 I293 W492A257-F289 HydrophobicContact CB-CZ 4.1Å; A257-F289 WeakPolarHBondContact O-CE2 3.12Å; L260-F289 HydrophobicContact CD1-CE1 4.32Å; L260-F289 HydrophobicContact CD1-CE2 3.96Å; L260-F289 HydrophobicContact CD1-CZ 3.55Å; L260-F289 HydrophobicContact CG-CE2 3.97Å; L260-F289 HydrophobicContact CG-CZ 4.1Å; M264-F289 HydrophobicContact CE-CD1 3.82Å; M264-F289 HydrophobicContact CE-CE1 3.53Å; M264-F289 HydrophobicContact CE-CZ 4.01Å; V272-F289 HydrophobicContact CG1-CD1 4.39Å; V272-F289 WeakPolarHBondContact CG1-O 3.44Å; V272-F289 HydrophobicContact CG2-CB 3.92Å; V272-F289 HydrophobicContact CG2-CD1 4.08Å; V272-F289 HydrophobicContact CG2-CG 4.12Å; G276-F289 CarbonylContact C-O 3.51Å; G276-F289 VanDerWaalsContact CA-O 3.28Å; G276-F289 WeakPolarHBondContact CA-O 3.31Å; G276-F289 CarbonylContact O-C 3.53Å; G276-F289 PolarHBondContact O-N 3.37Å; G276-F289 VanDerWaalsContact O-O 3.08Å; Q277-F289 PolarHBondContact N-O 3.13Å; L278-F289 HydrophobicContact CB-CB 3.73Å; L278-F289 HydrophobicContact CB-CD2 4.02Å; L278-F289 HydrophobicContact CB-CG 4.16Å; L278-F289 HydrophobicContact CD2-CD2 3.61Å; L278-F289 HydrophobicContact CD2-CE2 3.96Å; L278-F289 HydrophobicContact CD2-CG 4.36Å; L278-F289 HydrophobicContact CG-CD2 4.49Å; T287-F289 PolarHBondContact O-N 2.73Å; F289-I291 WeakPolarHBondContact CD1-O 3.38Å; F289-I291 VanDerWaalsContact CE1-O 3.25Å; F289-I291 WeakPolarHBondContact CE1-O 3.23Å; F289-I293 HydrophobicContact CE1-CD1 4.27Å; F289-I293 HydrophobicContact CE1-CG1 4.37Å; F289-I293 HydrophobicContact CZ-CD1 4.17Å; F289-W492 HydrophobicContact CE1-CE3 4.18Å; F289-W492 AromaticContact CE1-CZ3 3.79Å; F289-W492 HydrophobicContact CE1-CZ3 3.79Å; F289-W492 HydrophobicContact CZ-CH2 4.5Å; F289-W492 AromaticContact CZ-CZ3 3.79Å; F289-W492 HydrophobicContact CZ-CZ3 3.79Å
290S97.6Very high90.1Very high1 Ų140.3 Ų40.31%0.00724%0.237CC..  trans-94.7-23.2-168.763.10000114.3R488 W492S290-R488 WeakPolarHBondContact CB-O 3.35Å; S290-R488 WeakPolarHBondContact O-CG 3.46Å; S290-R488 PolarHBondContact O-NE 2.9Å; S290-R488 PolarHBondContact O-NH2 3.22Å; S290-R488 VanDerWaalsContact O-NH2 3.08Å; S290-R488 PolarHBondContact OG-O 3.29Å; S290-W492 PolarHBondContact OG-N 3.25Å
291I98.3Very high90.5Very high0 Ų040.8 Ų40.80%024%0.24CC..SBendtrans-114.2121.4-175.2-64.5-57.4000110.5W248 F289 I341 L483 A485 R488 E489 W492W248-I291 HydrophobicContact CH2-CG2 4.09Å; F289-I291 WeakPolarHBondContact CD1-O 3.38Å; F289-I291 VanDerWaalsContact CE1-O 3.25Å; F289-I291 WeakPolarHBondContact CE1-O 3.23Å; I291-I341 HydrophobicContact CD1-CG2 4.23Å; I291-L483 HydrophobicContact CB-CD1 4.46Å; I291-L483 HydrophobicContact CD1-CD1 3.99Å; I291-L483 HydrophobicContact CG1-CD1 4.29Å; I291-L483 HydrophobicContact CG2-CD1 3.36Å; I291-A485 HydrophobicContact CD1-CB 4.34Å; I291-R488 HydrophobicContact CD1-CG 4.15Å; I291-E489 HydrophobicContact CD1-CB 4.27Å; I291-W492 HydrophobicContact CB-CB 4.14Å; I291-W492 HydrophobicContact CB-CG 4.17Å; I291-W492 HydrophobicContact CG1-CB 3.58Å; I291-W492 HydrophobicContact CG1-CG 3.97Å
292P98.3Very high91.1Very high2 Ų238.2 Ų38.21%0.01321%0.214CC..  trans-65.7134.2172.8-18.929.9000112.3M264 Y269 V272 L273 V294 I341M264-P292 HydrophobicContact SD-CB 4.07Å; Y269-P292 HydrophobicContact CD2-CB 3.84Å; Y269-P292 HydrophobicContact CD2-CG 4.29Å; Y269-P292 HydrophobicContact CE2-CB 4.07Å; Y269-P292 HydrophobicContact CE2-CG 4.22Å; V272-P292 HydrophobicContact CB-CG 4.48Å; V272-P292 HydrophobicContact CG1-CB 4.23Å; V272-P292 HydrophobicContact CG1-CG 3.7Å; L273-P292 HydrophobicContact CD1-CG 4.38Å; P292-V294 HydrophobicContact CB-CG1 4.2Å; P292-I341 HydrophobicContact CG-CD1 3.89Å; P292-I341 HydrophobicContact CG-CG1 4.38Å
293I98.6Very high92Very high1 Ų138 Ų381%0.00521%0.207CC..  trans-110.9102.7172.8-54179.7000107.5W248 T251 L252 A257 L260 F263 M264 F289 W492W248-I293 HydrophobicContact CB-CG2 4.16Å; W248-I293 HydrophobicContact CD2-CG2 4.15Å; W248-I293 HydrophobicContact CE3-CB 4.4Å; W248-I293 HydrophobicContact CE3-CD1 3.99Å; W248-I293 HydrophobicContact CE3-CG1 3.87Å; W248-I293 HydrophobicContact CE3-CG2 3.79Å; W248-I293 HydrophobicContact CG-CG2 4.33Å; W248-I293 HydrophobicContact CZ3-CD1 3.92Å; W248-I293 HydrophobicContact CZ3-CG1 3.79Å; T251-I293 HydrophobicContact CG2-CD1 4.33Å; L252-I293 HydrophobicContact CD1-CG2 3.81Å; L252-I293 HydrophobicContact CD2-CD1 4.36Å; L252-I293 HydrophobicContact CD2-CG2 4.04Å; L252-I293 HydrophobicContact CG-CG2 3.88Å; A257-I293 HydrophobicContact CB-CD1 3.62Å; L260-I293 HydrophobicContact CD1-CB 4.47Å; L260-I293 HydrophobicContact CD1-CD1 4.48Å; F263-I293 HydrophobicContact CD1-CG2 4.09Å; F263-I293 HydrophobicContact CE1-CG2 4.19Å; M264-I293 WeakPolarHBondContact CG-O 3.29Å; M264-I293 PolarHBondContact N-O 3.4Å; F289-I293 HydrophobicContact CE1-CD1 4.27Å; F289-I293 HydrophobicContact CE1-CG1 4.37Å; F289-I293 HydrophobicContact CZ-CD1 4.17Å; I293-W492 HydrophobicContact CD1-CH2 3.82Å; I293-W492 HydrophobicContact CD1-CZ2 4.23Å; I293-W492 HydrophobicContact CD1-CZ3 4.37Å
294V98.7Very high92.9Very high9 Ų942 Ų426%0.05522%0.216CC..  trans-133.1153.7-170.3-62.50000110.2M264 Y269 P292 R337 L362M264-V294 HydrophobicContact CB-CG1 4.2Å; Y269-V294 HydrophobicContact CD2-CG1 3.72Å; Y269-V294 HydrophobicContact CE2-CG1 4.36Å; Y269-V294 HydrophobicContact CG-CG1 4.49Å; P292-V294 HydrophobicContact CB-CG1 4.2Å; V294-R337 VanDerWaalsContact CG2-NH1 3.27Å; V294-R337 VanDerWaalsContact CG2-NH2 3.34Å; V294-L362 HydrophobicContact CB-CD1 3.99Å; V294-L362 HydrophobicContact CB-CD2 3.94Å; V294-L362 HydrophobicContact CB-CG 4.42Å; V294-L362 HydrophobicContact CG1-CD1 4Å; V294-L362 HydrophobicContact CG2-CD1 4.05Å; V294-L362 HydrophobicContact CG2-CD2 3.76Å
295L98.6Very high93.9Very high1 Ų139.5 Ų39.51%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-111.1118.3175.1-17861000108.8L239 D245 F263 L314 L362 V363L239-L295 HydrophobicContact CD2-CD2 3.7Å; L239-L295 HydrophobicContact CD2-CG 4.33Å; D245-L295 HydrophobicContact CB-CD1 4.04Å; D245-L295 WeakPolarHBondContact OD1-CD1 3.16Å; F263-L295 HydrophobicContact CB-CB 4.24Å; F263-L295 HydrophobicContact CD1-CB 3.76Å; F263-L295 HydrophobicContact CD2-CB 3.72Å; F263-L295 HydrophobicContact CD2-CD2 3.96Å; F263-L295 HydrophobicContact CD2-CG 4.43Å; F263-L295 HydrophobicContact CE1-CB 3.91Å; F263-L295 HydrophobicContact CE2-CB 3.89Å; F263-L295 HydrophobicContact CE2-CD1 4.37Å; F263-L295 HydrophobicContact CE2-CD2 3.79Å; F263-L295 HydrophobicContact CE2-CG 4.25Å; F263-L295 HydrophobicContact CG-CB 3.64Å; F263-L295 HydrophobicContact CZ-CB 3.96Å; F263-L295 HydrophobicContact CZ-CD1 4.15Å; F263-L295 HydrophobicContact CZ-CD2 4.39Å; F263-L295 HydrophobicContact CZ-CG 4.41Å; L295-L314 HydrophobicContact CD2-CD2 4.1Å; L295-L362 WeakPolarHBondContact O-CA 3.44Å; L295-V363 HydrophobicContact CB-CG1 4Å; L295-V363 HydrophobicContact CD2-CG1 3.82Å; L295-V363 HydrophobicContact CG-CG1 3.98Å; L295-V363 PolarHBondContact O-N 3.3Å
296A98.4Very high94Very high25 Ų2541.7 Ų41.721%0.20722%0.216CC..EExtended strand (participates in β ladder)trans-88.7137.5178.300000110.6W361 L362A296-W361 CarbonylContact C-O 3.28Å; A296-W361 VanDerWaalsContact CA-O 3.3Å; A296-W361 WeakPolarHBondContact CA-O 3.36Å; A296-L362 HydrophobicContact CB-CD2 3.97Å
297V97.6Very high93.6Very high2 Ų238.7 Ų38.71%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-133.2151179.4-60.80000110.7L239 D301 K302 F329 G359 D360 W361 V363L239-V297 HydrophobicContact CD1-CG1 4.05Å; L239-V297 HydrophobicContact CD2-CG1 3.65Å; V297-D301 HydrophobicContact CB-CB 4.05Å; V297-K302 HydrophobicContact CG2-CB 4.36Å; V297-F329 HydrophobicContact CG2-CD1 4.18Å; V297-F329 HydrophobicContact CG2-CE1 4.13Å; V297-G359 CarbonylContact O-C 3.49Å; V297-G359 VanDerWaalsContact O-CA 3.23Å; V297-G359 WeakPolarHBondContact O-CA 3.45Å; V297-D360 PolarHBondContact O-N 3.29Å; V297-W361 HydrophobicContact CG2-CB 3.79Å; V297-W361 PolarHBondContact N-O 3.48Å; V297-W361 PolarHBondContact O-N 3.01Å; V297-V363 HydrophobicContact CG1-CG1 3.76Å
298S96.9Very high93.1Very high34 Ų3443 Ų4324%0.23823%0.23CC..  trans-67.9166.5177.967.80000111.8E300 D301 K302S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 WeakPolarHBondContact CB-OE2 3.02Å; S298-E300 PolarHBondContact O-N 2.91Å; S298-E300 PolarHBondContact OG-OE2 3.35Å; S298-D301 PolarHBondContact O-N 3.23Å; S298-D301 VanDerWaalsContact OG-CB 3.32Å; S298-D301 WeakPolarHBondContact OG-CB 3.4Å; S298-D301 PolarHBondContact OG-N 2.75Å; S298-D301 PolarHBondContact OG-OD2 3.04Å; S298-K302 WeakPolarHBondContact O-CB 3.43Å; S298-K302 PolarHBondContact O-N 3.36Å; S298-K302 VanDerWaalsContact O-N 3.13Å
299N95.7Very high92.4Very high60 Ų6045.4 Ų45.432%0.32126%0.255SS..Hα-helixtrans-62.4-41172.8-69.6-51.9000110.2K302 E303 D360 W361N299-K302 PolarHBondContact O-N 2.68Å; N299-E303 WeakPolarHBondContact O-CG 3.17Å; N299-E303 PolarHBondContact O-N 2.94Å; N299-D360 PolarHBondContact ND2-OD2 2.83Å; N299-W361 PolarHBondContact OD1-NE1 3.29Å
300E94.5Very high92Very high131 Ų13146.1 Ų46.161%0.61226%0.26SS*.Hα-helixtrans-62.1-43.9179.5-62.478.1-174.900111.5S298 E303 R304S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 WeakPolarHBondContact CB-OE2 3.02Å; S298-E300 PolarHBondContact O-N 2.91Å; S298-E300 PolarHBondContact OG-OE2 3.35Å; E300-E303 PolarHBondContact O-N 3.23Å; E300-R304 WeakPolarHBondContact O-CB 3.37Å; E300-R304 PolarHBondContact O-N 3.09Å
301D94.3Very high91.9Very high33 Ų3347.1 Ų47.118%0.17627%0.267CS..Hα-helixtrans-62.1-46.4175-76.7-48.3000111.6L239 V297 S298 E303 R304 F305L239-D301 HydrophobicContact CD1-CB 4.42Å; V297-D301 HydrophobicContact CB-CB 4.05Å; S298-D301 PolarHBondContact O-N 3.23Å; S298-D301 VanDerWaalsContact OG-CB 3.32Å; S298-D301 WeakPolarHBondContact OG-CB 3.4Å; S298-D301 PolarHBondContact OG-N 2.75Å; S298-D301 PolarHBondContact OG-OD2 3.04Å; D301-E303 VanDerWaalsContact C-N 3.29Å; D301-E303 PolarHBondContact O-N 2.79Å; D301-R304 WeakPolarHBondContact O-CB 3.46Å; D301-R304 PolarHBondContact O-N 3.22Å; D301-R304 VanDerWaalsContact O-N 3.15Å; D301-R304 IonicContact OD1-CZ 2.8Å; D301-R304 IonicContact OD1-NE 3.44Å; D301-R304 IonicContact OD1-NH2 3.7Å; D301-R304 PolarHBondContact OD1-NH2 2.92Å; D301-F305 HydrophobicContact CB-CD2 4.39Å; D301-F305 HydrophobicContact CB-CE2 3.7Å; D301-F305 HydrophobicContact CB-CZ 4.03Å; D301-F305 WeakPolarHBondContact O-CD2 3.47Å; D301-F305 WeakPolarHBondContact O-CE2 3.16Å; D301-F305 WeakPolarHBondContact O-CG 3.31Å; D301-F305 PolarHBondContact O-N 2.74Å
302K93.4Very high91.8Very high64 Ų6447.1 Ų47.128%0.27827%0.267SS..Hα-helixtrans-63.3-33.7179.2178-101.3179.8167.10112.4V297 S298 N299 F329 W361V297-K302 HydrophobicContact CG2-CB 4.36Å; S298-K302 WeakPolarHBondContact O-CB 3.43Å; S298-K302 PolarHBondContact O-N 3.36Å; S298-K302 VanDerWaalsContact O-N 3.13Å; N299-K302 PolarHBondContact O-N 2.68Å; K302-F329 HydrophobicContact CB-CD1 4.16Å; K302-F329 HydrophobicContact CB-CE1 4.42Å; K302-F329 HydrophobicContact CG-CB 4.15Å; K302-F329 HydrophobicContact CG-CD1 3.76Å; K302-F329 HydrophobicContact CG-CE1 4.4Å; K302-F329 HydrophobicContact CG-CG 4.05Å; K302-W361 HydrophobicContact CB-CB 4.4Å; K302-W361 HydrophobicContact CB-CG 4.09Å; K302-W361 HydrophobicContact CD-CD2 3.83Å; K302-W361 HydrophobicContact CD-CE3 4.23Å; K302-W361 HydrophobicContact CD-CG 4.24Å; K302-W361 HydrophobicContact CD-CH2 4.47Å; K302-W361 HydrophobicContact CD-CZ2 4.07Å; K302-W361 HydrophobicContact CG-CB 4.44Å; K302-W361 HydrophobicContact CG-CD2 3.88Å; K302-W361 HydrophobicContact CG-CE3 4.21Å; K302-W361 HydrophobicContact CG-CG 3.94Å; K302-W361 VanDerWaalsContact NZ-CH2 3.26Å
303E91.8Very high91.7Very high156 Ų15647 Ų4773%0.72927%0.266SS*.Hα-helixtrans-73.3-34.9173.1-73.1177.8178.300112.8N299 E300 D301N299-E303 WeakPolarHBondContact O-CG 3.17Å; N299-E303 PolarHBondContact O-N 2.94Å; E300-E303 PolarHBondContact O-N 3.23Å; D301-E303 VanDerWaalsContact C-N 3.29Å; D301-E303 PolarHBondContact O-N 2.79Å
304R91.3Very high91.7Very high127 Ų12747 Ų4748%0.47927%0.266SS..Hα-helixtrans-69.2-35.1177.3-179.1173.662.6154.33.8112.5H238 E300 D301H238-R304 PolarHBondContact O-NH1 3.43Å; H238-R304 PolarHBondContact O-NH2 2.82Å; E300-R304 WeakPolarHBondContact O-CB 3.37Å; E300-R304 PolarHBondContact O-N 3.09Å; D301-R304 WeakPolarHBondContact O-CB 3.46Å; D301-R304 PolarHBondContact O-N 3.22Å; D301-R304 VanDerWaalsContact O-N 3.15Å; D301-R304 IonicContact OD1-CZ 2.8Å; D301-R304 IonicContact OD1-NE 3.44Å; D301-R304 IonicContact OD1-NH2 3.7Å; D301-R304 PolarHBondContact OD1-NH2 2.92Å
305F88.7Confident91.7Very high4 Ų447 Ų472%0.01827%0.266CS..SBendtrans-78137.8176.2-53.3-34.6000109.5P237 L239 D301 G307 I312 F329P237-F305 HydrophobicContact CB-CD1 3.56Å; P237-F305 HydrophobicContact CB-CE1 3.73Å; P237-F305 HydrophobicContact CG-CD1 3.55Å; P237-F305 HydrophobicContact CG-CE1 4.09Å; L239-F305 HydrophobicContact CB-CE2 4.44Å; L239-F305 HydrophobicContact CB-CZ 3.79Å; L239-F305 HydrophobicContact CD1-CE2 4.18Å; L239-F305 HydrophobicContact CD1-CZ 3.94Å; L239-F305 HydrophobicContact CG-CZ 4.32Å; D301-F305 HydrophobicContact CB-CD2 4.39Å; D301-F305 HydrophobicContact CB-CE2 3.7Å; D301-F305 HydrophobicContact CB-CZ 4.03Å; D301-F305 WeakPolarHBondContact O-CD2 3.47Å; D301-F305 WeakPolarHBondContact O-CE2 3.16Å; D301-F305 WeakPolarHBondContact O-CG 3.31Å; D301-F305 PolarHBondContact O-N 2.74Å; F305-G307 PolarHBondContact O-N 2.83Å; F305-I312 HydrophobicContact CB-CD1 4.49Å; F305-I312 HydrophobicContact CD1-CD1 4.47Å; F305-I312 HydrophobicContact CD1-CG1 4.2Å; F305-I312 HydrophobicContact CD2-CD1 3.63Å; F305-I312 HydrophobicContact CD2-CG1 4.23Å; F305-I312 HydrophobicContact CE1-CG2 4.07Å; F305-I312 HydrophobicContact CE2-CD1 3.91Å; F305-I312 HydrophobicContact CE2-CG2 4.41Å; F305-I312 HydrophobicContact CG-CD1 3.94Å; F305-I312 HydrophobicContact CG-CG1 4.07Å; F305-I312 HydrophobicContact CZ-CD1 4.48Å; F305-I312 HydrophobicContact CZ-CG2 4Å; F305-F329 HydrophobicContact CB-CE1 4.48Å; F305-F329 HydrophobicContact CB-CE2 4.21Å; F305-F329 HydrophobicContact CB-CZ 3.64Å; F305-F329 AromaticContact CD2-CE1 3.69Å; F305-F329 HydrophobicContact CD2-CE1 3.69Å; F305-F329 AromaticContact CD2-CZ 3.52Å; F305-F329 HydrophobicContact CD2-CZ 3.52Å; F305-F329 HydrophobicContact CG-CZ 4.01Å
306S76.8Confident91.6Very high116 Ų11648.3 Ų48.381%0.81127%0.271SS*.  trans-66.723.8-173.7-48.60000115.4
307G75.9Confident91.5Very high26 Ų2653.9 Ų53.927%0.26829%0.291SS..SBendtrans78.5-159.5179.700000113.9F305 S310F305-G307 PolarHBondContact O-N 2.83Å; G307-S310 VanDerWaalsContact O-CB 3.24Å; G307-S310 WeakPolarHBondContact O-CB 2.78Å; G307-S310 PolarHBondContact O-N 3.32Å; G307-S310 PolarHBondContact O-OG 3.12Å
308N77.7Confident91.4Very high110 Ų11061 Ų6159%0.58833%0.329SS*.THydrogen-bonded Turntrans-64.2140.1-175.6-69.9-7.8000112S310 C327 E328 F329N308-S310 VanDerWaalsContact C-N 3.34Å; N308-C327 CarbonylContact C-O 3.54Å; N308-C327 VanDerWaalsContact CA-O 3.24Å; N308-C327 WeakPolarHBondContact CA-O 3.44Å; N308-E328 WeakPolarHBondContact OD1-CA 3.44Å; N308-F329 PolarHBondContact OD1-N 2.96Å
309G81.2Confident91.3Very high51 Ų5163.5 Ų63.553%0.52634%0.34SS..THydrogen-bonded Turntrans88.8-6.6-174.100000114.2C327G309-C327 PolarHBondContact N-O 2.97Å
310S88Confident91.3Very high16 Ų1662.3 Ų62.311%0.11233%0.333CS..  trans-66.2164.6178.670.10000112.9G307 N308 N326 C327G307-S310 VanDerWaalsContact O-CB 3.24Å; G307-S310 WeakPolarHBondContact O-CB 2.78Å; G307-S310 PolarHBondContact O-N 3.32Å; G307-S310 PolarHBondContact O-OG 3.12Å; N308-S310 VanDerWaalsContact C-N 3.34Å; S310-N326 PolarHBondContact O-N 3.46Å; S310-C327 WeakPolarHBondContact O-CB 3.32Å; S310-C327 PolarHBondContact O-N 3.07Å; S310-C327 PolarHBondContact O-SG 3.4Å
311S94.9Very high91.5Very high21 Ų2156.7 Ų56.715%0.14731%0.307CS..  trans-114.3141.4165-57.50000109.9L324S311-L324 CarbonylContact C-O 3.35Å; S311-L324 VanDerWaalsContact CA-O 3.24Å; S311-L324 WeakPolarHBondContact CA-O 3.46Å
312I96Very high91.6Very high0 Ų055.1 Ų55.10%030%0.299CS..EExtended strand (participates in β ladder)trans-127.7134.1-176.6-56.5164.7000108.2L239 F305 L314 M323 L324 C327 F329 V363L239-I312 HydrophobicContact CB-CG2 3.6Å; F305-I312 HydrophobicContact CB-CD1 4.49Å; F305-I312 HydrophobicContact CD1-CD1 4.47Å; F305-I312 HydrophobicContact CD1-CG1 4.2Å; F305-I312 HydrophobicContact CD2-CD1 3.63Å; F305-I312 HydrophobicContact CD2-CG1 4.23Å; F305-I312 HydrophobicContact CE1-CG2 4.07Å; F305-I312 HydrophobicContact CE2-CD1 3.91Å; F305-I312 HydrophobicContact CE2-CG2 4.41Å; F305-I312 HydrophobicContact CG-CD1 3.94Å; F305-I312 HydrophobicContact CG-CG1 4.07Å; F305-I312 HydrophobicContact CZ-CD1 4.48Å; F305-I312 HydrophobicContact CZ-CG2 4Å; I312-L314 HydrophobicContact CG2-CD2 4.42Å; I312-M323 CarbonylContact O-C 2.89Å; I312-M323 WeakPolarHBondContact O-CA 3.41Å; I312-M323 WeakPolarHBondContact O-CB 3.3Å; I312-L324 PolarHBondContact N-O 3.31Å; I312-L324 PolarHBondContact O-N 3.32Å; I312-C327 HydrophobicContact CD1-CB 4.39Å; I312-C327 VanDerWaalsContact CD1-SG 3.56Å; I312-F329 HydrophobicContact CD1-CE1 4.42Å; I312-F329 HydrophobicContact CD1-CZ 3.75Å; I312-V363 HydrophobicContact CD1-CG2 4.2Å
313A97.2Very high91.8Very high0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-83.9130.7170.200000109.8C233 L236 P237 L239C233-A313 HydrophobicContact CB-CB 3.75Å; L236-A313 HydrophobicContact CB-CB 4.41Å; P237-A313 PolarHBondContact O-N 3.14Å; L239-A313 PolarHBondContact N-O 2.92Å
314L98.1Very high92.1Very high1 Ų144.7 Ų44.71%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-97120.5179.1-56.8178.3000109.6L239 I241 I249 L295 I312 I321 G322 L367L239-L314 HydrophobicContact CB-CD2 4.29Å; L239-L314 HydrophobicContact CD2-CD2 4.04Å; I241-L314 HydrophobicContact CG2-CB 4.29Å; I241-L314 HydrophobicContact CG2-CD2 4.06Å; I249-L314 HydrophobicContact CD1-CD1 3.79Å; L295-L314 HydrophobicContact CD2-CD2 4.1Å; I312-L314 HydrophobicContact CG2-CD2 4.42Å; L314-I321 PolarHBondContact O-N 3.07Å; L314-G322 PolarHBondContact N-O 2.99Å; L314-L367 HydrophobicContact CD1-CD1 3.62Å
315V98Very high92.3Very high9 Ų941.6 Ų41.66%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-119.7126.2-172.5-177.20000110.4H238 L239 D240 I241 N319 I320H238-V315 HydrophobicContact CB-CG2 3.95Å; L239-V315 PolarHBondContact O-N 3.48Å; D240-V315 CarbonylContact C-O 3.58Å; D240-V315 WeakPolarHBondContact CA-O 3.46Å; I241-V315 WeakPolarHBondContact CG1-O 3.46Å; I241-V315 PolarHBondContact N-O 3.49Å; V315-N319 WeakPolarHBondContact CA-O 3.43Å; V315-I320 HydrophobicContact CG2-CG1 4.23Å
316Y97.9Very high92.6Very high29 Ų2945.6 Ų45.611%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-123.7124.9172.7176.4-106.9000109.7I241 E243 L246 N318 N319I241-Y316 HydrophobicContact CG1-CD2 4.43Å; E243-Y316 HydrophobicContact CB-CE2 4.03Å; E243-Y316 PolarHBondContact OE2-OH 3.47Å; E243-Y316 VanDerWaalsContact OE2-OH 3.12Å; L246-Y316 HydrophobicContact CD2-CD1 3.57Å; L246-Y316 HydrophobicContact CD2-CD2 4.39Å; L246-Y316 HydrophobicContact CD2-CE1 3.55Å; L246-Y316 HydrophobicContact CD2-CE2 4.4Å; L246-Y316 HydrophobicContact CD2-CG 3.99Å; Y316-N318 VanDerWaalsContact C-N 3.28Å; Y316-N318 PolarHBondContact O-N 3.42Å; Y316-N319 PolarHBondContact N-O 2.99Å; Y316-N319 WeakPolarHBondContact O-CB 3.44Å; Y316-N319 PolarHBondContact O-N 3.34Å
317K95.9Very high93.6Very high141 Ų14140.2 Ų40.261%0.61322%0.223SC*.THydrogen-bonded Turntrans46.452.6-178.1-65.3179.8175.2162.90111.4N319K317-N319 PolarHBondContact O-N 3.01Å; K317-N319 VanDerWaalsContact O-N 3.13Å; K317-N319 PolarHBondContact O-ND2 3.09Å
318N95.1Very high94.6Very high153 Ų15341 Ų4182%0.81822%0.22SC*.THydrogen-bonded Turntrans63.49.3-178.7-52.1-36.5000116.2Y316Y316-N318 VanDerWaalsContact C-N 3.28Å; Y316-N318 PolarHBondContact O-N 3.42Å
319N95.4Very high95.6Very high86 Ų8636.6 Ų36.646%0.4620%0.195SC..EExtended strand (participates in β ladder)trans-107.1126.4177.2-69.3-88.7000110.2V315 Y316 K317 I321V315-N319 WeakPolarHBondContact CA-O 3.43Å; Y316-N319 PolarHBondContact N-O 2.99Å; Y316-N319 WeakPolarHBondContact O-CB 3.44Å; Y316-N319 PolarHBondContact O-N 3.34Å; K317-N319 PolarHBondContact O-N 3.01Å; K317-N319 VanDerWaalsContact O-N 3.13Å; K317-N319 PolarHBondContact O-ND2 3.09Å; N319-I321 HydrophobicContact CB-CD1 4.19Å; N319-I321 WeakPolarHBondContact O-CG1 3.45Å; N319-I321 PolarHBondContact O-N 2.93Å; N319-I321 VanDerWaalsContact O-N 3.17Å
320I96.3Very high96.4Very high35 Ų3534.3 Ų34.318%0.17917%0.171CC..EExtended strand (participates in β ladder)trans-68.5113.6170.3-56.8171.3000108.4C233 F234 V315 F370C233-I320 HydrophobicContact CB-CD1 3.97Å; C233-I320 HydrophobicContact CB-CG2 4.13Å; F234-I320 HydrophobicContact CE1-CD1 4.39Å; V315-I320 HydrophobicContact CG2-CG1 4.23Å; I320-F370 HydrophobicContact CG2-CD2 4.06Å; I320-F370 HydrophobicContact CG2-CE2 3.61Å
321I97Very high96.9Very high12 Ų1236.1 Ų36.16%0.06218%0.182CC..EExtended strand (participates in β ladder)trans-87.9-38.7-178.7-56.6-53.7000110.7L246 I249 L314 N319 V369 F370 I373L246-I321 HydrophobicContact CD1-CG1 4.18Å; L246-I321 HydrophobicContact CD1-CG2 3.88Å; I249-I321 HydrophobicContact CG2-CG2 4.35Å; L314-I321 PolarHBondContact O-N 3.07Å; N319-I321 HydrophobicContact CB-CD1 4.19Å; N319-I321 WeakPolarHBondContact O-CG1 3.45Å; N319-I321 PolarHBondContact O-N 2.93Å; N319-I321 VanDerWaalsContact O-N 3.17Å; I321-V369 HydrophobicContact CG2-CG1 4.21Å; I321-F370 PolarHBondContact O-N 3.35Å; I321-I373 HydrophobicContact CG2-CD1 4.49Å
322G97.5Very high97Very high1 Ų135.7 Ų35.71%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-176.3-163.9-174.700000112L314 K368L314-G322 PolarHBondContact N-O 2.99Å; G322-K368 CarbonylContact C-O 3.53Å; G322-K368 WeakPolarHBondContact CA-O 3.4Å
323M97Very high97.2Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-139.1151.6174.558.4168.256.500111L229 C233 L236 I312 R325 K368 F370L229-M323 HydrophobicContact CB-CE 3.77Å; L229-M323 HydrophobicContact CD2-CE 3.75Å; L229-M323 HydrophobicContact CD2-SD 3.82Å; L229-M323 HydrophobicContact CG-CE 4.3Å; L229-M323 WeakPolarHBondContact O-CE 3.28Å; C233-M323 VanDerWaalsContact SG-CE 3.52Å; L236-M323 HydrophobicContact CD1-CE 4.48Å; I312-M323 CarbonylContact O-C 2.89Å; I312-M323 WeakPolarHBondContact O-CA 3.41Å; I312-M323 WeakPolarHBondContact O-CB 3.3Å; M323-R325 HydrophobicContact SD-CG 3.9Å; M323-R325 PolarHBondContact SD-NE 3.42Å; M323-K368 HydrophobicContact CG-CB 3.84Å; M323-K368 HydrophobicContact CG-CG 4.43Å; M323-K368 PolarHBondContact N-O 3.34Å; M323-K368 PolarHBondContact O-N 3.44Å; M323-F370 HydrophobicContact CB-CZ 4.31Å; M323-F370 HydrophobicContact CE-CE1 4.47Å; M323-F370 HydrophobicContact CE-CZ 3.96Å; M323-F370 HydrophobicContact CG-CE1 4.19Å; M323-F370 HydrophobicContact CG-CZ 3.98Å
324L97.5Very high97.2Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-107.7122.9168.4-165.968.3000108F263 S311 I312 C327 V363 G365 L367F263-L324 HydrophobicContact CD2-CD1 4.24Å; S311-L324 CarbonylContact C-O 3.35Å; S311-L324 VanDerWaalsContact CA-O 3.24Å; S311-L324 WeakPolarHBondContact CA-O 3.46Å; I312-L324 PolarHBondContact N-O 3.31Å; I312-L324 PolarHBondContact O-N 3.32Å; L324-C327 PolarHBondContact O-SG 2.83Å; L324-V363 HydrophobicContact CD2-CB 4.49Å; L324-V363 HydrophobicContact CD2-CG1 4.02Å; L324-V363 HydrophobicContact CD2-CG2 3.84Å; L324-G365 VanDerWaalsContact CD1-C 3.43Å; L324-L367 HydrophobicContact CD1-CB 4.28Å
325R96.2Very high97.2Very high62 Ų6250.7 Ų50.723%0.23424%0.241CC..EExtended strand (participates in β ladder)trans-108160.9178.8-70.1-166177.2-88.96.9111.6E232 M323 C327 G365 D366E232-R325 IonicContact OE1-CZ 2.68Å; E232-R325 VanDerWaalsContact OE1-CZ 3.29Å; E232-R325 IonicContact OE1-NH1 3.56Å; E232-R325 PolarHBondContact OE1-NH1 3.43Å; E232-R325 IonicContact OE1-NH2 2.77Å; E232-R325 PolarHBondContact OE1-NH2 3.5Å; E232-R325 IonicContact OE2-CZ 3.71Å; E232-R325 IonicContact OE2-NH1 3.23Å; E232-R325 IonicContact OE2-NH2 2.97Å; E232-R325 PolarHBondContact OE2-NH2 3.09Å; M323-R325 HydrophobicContact SD-CG 3.9Å; M323-R325 PolarHBondContact SD-NE 3.42Å; R325-C327 PolarHBondContact O-N 3.22Å; R325-G365 CarbonylContact O-C 3.57Å; R325-G365 WeakPolarHBondContact O-CA 3.36Å; R325-D366 HydrophobicContact CB-CB 4.42Å; R325-D366 PolarHBondContact N-O 2.86Å; R325-D366 PolarHBondContact O-N 3.23Å
326N95.8Very high97.3Very high89 Ų8953 Ų5348%0.47625%0.25SS..EExtended strand (participates in β ladder)trans51.748.7176.5-56.2-40.8000110.6R265 S310 D366R265-N326 PolarHBondContact NH2-O 3.14Å; R265-N326 VanDerWaalsContact NH2-O 3.09Å; S310-N326 PolarHBondContact O-N 3.46Å; N326-D366 PolarHBondContact ND2-OD2 3.44Å
327C97.3Very high97.3Very high2 Ų252.9 Ų52.91%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-63.7145-171.3-65.20000111.2N308 G309 S310 I312 L324 R325 F329 V363 G364N308-C327 CarbonylContact C-O 3.54Å; N308-C327 VanDerWaalsContact CA-O 3.24Å; N308-C327 WeakPolarHBondContact CA-O 3.44Å; G309-C327 PolarHBondContact N-O 2.97Å; S310-C327 WeakPolarHBondContact O-CB 3.32Å; S310-C327 PolarHBondContact O-N 3.07Å; S310-C327 PolarHBondContact O-SG 3.4Å; I312-C327 HydrophobicContact CD1-CB 4.39Å; I312-C327 VanDerWaalsContact CD1-SG 3.56Å; L324-C327 PolarHBondContact O-SG 2.83Å; R325-C327 PolarHBondContact O-N 3.22Å; C327-F329 HydrophobicContact CB-CE2 3.88Å; C327-F329 HydrophobicContact CB-CZ 4.35Å; C327-V363 HydrophobicContact CB-CG2 3.86Å; C327-G364 CarbonylContact C-O 3.22Å; C327-G364 VanDerWaalsContact CA-O 3.26Å; C327-G364 WeakPolarHBondContact CA-O 3.27Å
328E97.6Very high97.4Very high44 Ų4446.1 Ų46.121%0.20622%0.221CC..EExtended strand (participates in β ladder)trans-130.6120.6172.4-176-172.6133.800108.6R265 E266 N308 V363 G364R265-E328 VanDerWaalsContact CB-OE2 3.29Å; R265-E328 WeakPolarHBondContact CB-OE2 3.45Å; R265-E328 VanDerWaalsContact CD-OE2 3.24Å; R265-E328 WeakPolarHBondContact CD-OE2 3.39Å; R265-E328 HydrophobicContact CG-CB 4.02Å; R265-E328 WeakPolarHBondContact CG-OE2 3.5Å; E266-E328 WeakPolarHBondContact CB-OE1 3.45Å; E266-E328 PolarHBondContact N-OE1 2.85Å; N308-E328 WeakPolarHBondContact OD1-CA 3.44Å; E328-V363 WeakPolarHBondContact O-CA 3.37Å; E328-G364 PolarHBondContact N-O 3.39Å; E328-G364 PolarHBondContact O-N 2.8Å
329F97.6Very high97.6Very high16 Ų1641.3 Ų41.37%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-101.7129.5178.6-62.7-92.2000110.5V297 K302 F305 N308 I312 C327 W361 L362 V363V297-F329 HydrophobicContact CG2-CD1 4.18Å; V297-F329 HydrophobicContact CG2-CE1 4.13Å; K302-F329 HydrophobicContact CB-CD1 4.16Å; K302-F329 HydrophobicContact CB-CE1 4.42Å; K302-F329 HydrophobicContact CG-CB 4.15Å; K302-F329 HydrophobicContact CG-CD1 3.76Å; K302-F329 HydrophobicContact CG-CE1 4.4Å; K302-F329 HydrophobicContact CG-CG 4.05Å; F305-F329 HydrophobicContact CB-CE1 4.48Å; F305-F329 HydrophobicContact CB-CE2 4.21Å; F305-F329 HydrophobicContact CB-CZ 3.64Å; F305-F329 AromaticContact CD2-CE1 3.69Å; F305-F329 HydrophobicContact CD2-CE1 3.69Å; F305-F329 AromaticContact CD2-CZ 3.52Å; F305-F329 HydrophobicContact CD2-CZ 3.52Å; F305-F329 HydrophobicContact CG-CZ 4.01Å; N308-F329 PolarHBondContact OD1-N 2.96Å; I312-F329 HydrophobicContact CD1-CE1 4.42Å; I312-F329 HydrophobicContact CD1-CZ 3.75Å; C327-F329 HydrophobicContact CB-CE2 3.88Å; C327-F329 HydrophobicContact CB-CZ 4.35Å; F329-W361 HydrophobicContact CB-CE3 4.27Å; F329-L362 WeakPolarHBondContact CA-O 3.31Å; F329-V363 HydrophobicContact CD1-CB 3.78Å; F329-V363 HydrophobicContact CD1-CG2 3.81Å; F329-V363 HydrophobicContact CD2-CG2 4.39Å; F329-V363 HydrophobicContact CE1-CB 3.67Å; F329-V363 HydrophobicContact CE1-CG2 3.48Å; F329-V363 VanDerWaalsContact CE1-CG2 3.48Å; F329-V363 HydrophobicContact CE2-CG2 4.11Å; F329-V363 HydrophobicContact CG-CG2 4.27Å; F329-V363 HydrophobicContact CZ-CB 4.36Å; F329-V363 HydrophobicContact CZ-CG2 3.66Å
330F98Very high97.7Very high4 Ų440.6 Ų40.62%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-143156.2177.159.6-82.1000111.3E266 Y269 H332 L362E266-F330 HydrophobicContact CB-CB 4.13Å; E266-F330 HydrophobicContact CB-CD1 3.85Å; E266-F330 HydrophobicContact CB-CD2 3.96Å; E266-F330 HydrophobicContact CB-CE1 4.23Å; E266-F330 HydrophobicContact CB-CE2 4.29Å; E266-F330 HydrophobicContact CB-CG 3.72Å; E266-F330 HydrophobicContact CB-CZ 4.43Å; E266-F330 HydrophobicContact CG-CB 4.24Å; E266-F330 HydrophobicContact CG-CD2 3.88Å; E266-F330 HydrophobicContact CG-CE2 4.37Å; E266-F330 HydrophobicContact CG-CG 4.02Å; Y269-F330 AromaticContact CD1-CE2 3.63Å; Y269-F330 HydrophobicContact CD1-CE2 3.63Å; Y269-F330 HydrophobicContact CD1-CZ 4.32Å; Y269-F330 HydrophobicContact CE1-CE2 4.25Å; Y269-F330 AromaticContact CG-CE2 3.92Å; Y269-F330 HydrophobicContact CG-CE2 3.92Å; Y269-F330 HydrophobicContact CG-CZ 4.15Å; F330-H332 PolarHBondContact O-N 3.37Å; F330-L362 HydrophobicContact CD1-CB 4.4Å; F330-L362 HydrophobicContact CD2-CB 4.24Å; F330-L362 HydrophobicContact CE1-CB 3.91Å; F330-L362 HydrophobicContact CE2-CB 3.76Å; F330-L362 HydrophobicContact CE2-CD1 3.62Å; F330-L362 HydrophobicContact CE2-CG 4.23Å; F330-L362 HydrophobicContact CZ-CB 3.57Å; F330-L362 HydrophobicContact CZ-CD1 3.89Å; F330-L362 HydrophobicContact CZ-CG 4.37Å; F330-L362 PolarHBondContact N-O 2.77Å; F330-L362 PolarHBondContact O-N 3.01Å
331P98Very high97.8Very high54 Ų5439.2 Ų39.235%0.35119%0.185SC..EExtended strand (participates in β ladder)trans-61.3133.7-176-24.935.4000113.4R333 W361P331-R333 PolarHBondContact O-N 3.16Å; P331-R333 VanDerWaalsContact O-N 3.15Å; P331-W361 HydrophobicContact CG-CH2 4.38Å; P331-W361 HydrophobicContact CG-CZ3 4.14Å
332H98.5Very high97.8Very high11 Ų1138.8 Ų38.85%0.05118%0.183CC..  trans-84.186.1173.2-167.5-170.4000109.8F330 K334 R337 S358 G359 D360 L362F330-H332 PolarHBondContact O-N 3.37Å; H332-K334 PolarHBondContact O-N 2.84Å; H332-R337 PolarHBondContact CE1-NH1 3.27Å; H332-R337 VanDerWaalsContact CE1-NH1 3.28Å; H332-R337 WeakPolarHBondContact NE2-CD 3.47Å; H332-R337 PolarHBondContact NE2-NH1 3.14Å; H332-S358 PolarHBondContact CE1-OG 2.93Å; H332-S358 VanDerWaalsContact CE1-OG 3.3Å; H332-G359 PolarHBondContact ND1-O 3.12Å; H332-D360 VanDerWaalsContact CB-C 3.45Å; H332-D360 VanDerWaalsContact CB-O 3.28Å; H332-D360 WeakPolarHBondContact CB-O 3.25Å; H332-D360 PolarHBondContact N-O 3.01Å; H332-L362 HydrophobicContact CB-CD1 4.49Å; H332-L362 HydrophobicContact CB-CD2 4.1Å; H332-L362 HydrophobicContact CB-CG 3.78Å
333R98.4Very high97.8Very high165 Ų16542 Ų4262%0.62322%0.216SC*.  trans-70.279.1174-62.6-65.7-174.8-174.8-0.2110.4P331 E335 E336 R337P331-R333 PolarHBondContact O-N 3.16Å; P331-R333 VanDerWaalsContact O-N 3.15Å; R333-E335 PolarHBondContact O-N 3.07Å; R333-E336 HydrophobicContact CB-CB 3.95Å; R333-E336 WeakPolarHBondContact CB-OE2 3.27Å; R333-E336 WeakPolarHBondContact CG-OE2 3.47Å; R333-E336 WeakPolarHBondContact O-CB 3.3Å; R333-E336 PolarHBondContact O-N 2.82Å; R333-R337 WeakPolarHBondContact O-CB 3.14Å; R333-R337 PolarHBondContact O-N 3.24Å
334K98.5Very high97.8Very high31 Ų3143.1 Ų43.114%0.13522%0.223CC..Hα-helixtrans-57.9-46.1-169.5-68.5166.41781720113.3H332 R337 C338 I355 M356 S358 G359 D360H332-K334 PolarHBondContact O-N 2.84Å; K334-R337 WeakPolarHBondContact O-CB 3.24Å; K334-R337 PolarHBondContact O-N 3.38Å; K334-C338 WeakPolarHBondContact O-CB 3.38Å; K334-C338 PolarHBondContact O-N 3.36Å; K334-C338 PolarHBondContact O-SG 2.9Å; K334-I355 HydrophobicContact CB-CG2 4.08Å; K334-I355 WeakPolarHBondContact CD-O 3.47Å; K334-I355 WeakPolarHBondContact CE-O 3.45Å; K334-I355 HydrophobicContact CG-CG2 4.06Å; K334-M356 HydrophobicContact CB-SD 3.86Å; K334-M356 PolarHBondContact NZ-O 3.4Å; K334-M356 VanDerWaalsContact NZ-O 3.14Å; K334-S358 VanDerWaalsContact CE-O 3.22Å; K334-S358 WeakPolarHBondContact CE-O 3.43Å; K334-S358 PolarHBondContact NZ-O 3.12Å; K334-G359 WeakPolarHBondContact CE-O 3.3Å; K334-D360 WeakPolarHBondContact CE-OD1 3.47Å; K334-D360 IonicContact NZ-OD1 2.78Å; K334-D360 PolarHBondContact NZ-OD1 2.94Å
335E98.3Very high97.8Very high121 Ų12146.1 Ų46.157%0.56524%0.239SC*.Hα-helixtrans-63.2-47.7179.4-176.8173.5-177.500112.1R333 R337 C338 C339 N345R333-E335 PolarHBondContact O-N 3.07Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 3.2Å; E335-C338 PolarHBondContact O-N 2.83Å; E335-C339 PolarHBondContact O-N 3.1Å; E335-C339 PolarHBondContact O-SG 2.79Å; E335-N345 HydrophobicContact CG-CB 4.33Å; E335-N345 PolarHBondContact OE1-ND2 3.34Å
336E98.4Very high97.8Very high56 Ų5645.7 Ų45.726%0.26224%0.239SC..Hα-helixtrans-55.6-50173.9179.5-171.2-172.800110.7L273 Y274 R333 C338 C339 H340L273-E336 HydrophobicContact CD2-CG 4.18Å; Y274-E336 WeakPolarHBondContact CE2-OE1 3.49Å; Y274-E336 PolarHBondContact OH-OE1 2.89Å; R333-E336 HydrophobicContact CB-CB 3.95Å; R333-E336 WeakPolarHBondContact CB-OE2 3.27Å; R333-E336 WeakPolarHBondContact CG-OE2 3.47Å; R333-E336 WeakPolarHBondContact O-CB 3.3Å; R333-E336 PolarHBondContact O-N 2.82Å; E336-C338 VanDerWaalsContact C-N 3.31Å; E336-C338 PolarHBondContact O-N 3.14Å; E336-C339 PolarHBondContact O-N 3.43Å; E336-H340 WeakPolarHBondContact O-CB 3.4Å; E336-H340 PolarHBondContact O-CD2 3.42Å; E336-H340 VanDerWaalsContact O-CD2 3.25Å; E336-H340 PolarHBondContact O-N 3.01Å
337R98.4Very high97.8Very high27 Ų2745.6 Ų45.610%0.10224%0.238CC..Hα-helixtrans-53.1-49.9176.1-175.5-179.5173.1-174.7-0.9111.3Y269 V294 H332 R333 K334 E335 I341Y269-R337 HydrophobicContact CE2-CG 4.44Å; Y269-R337 WeakPolarHBondContact OH-CB 3.24Å; V294-R337 VanDerWaalsContact CG2-NH1 3.27Å; V294-R337 VanDerWaalsContact CG2-NH2 3.34Å; H332-R337 PolarHBondContact CE1-NH1 3.27Å; H332-R337 VanDerWaalsContact CE1-NH1 3.28Å; H332-R337 WeakPolarHBondContact NE2-CD 3.47Å; H332-R337 PolarHBondContact NE2-NH1 3.14Å; R333-R337 WeakPolarHBondContact O-CB 3.14Å; R333-R337 PolarHBondContact O-N 3.24Å; K334-R337 WeakPolarHBondContact O-CB 3.24Å; K334-R337 PolarHBondContact O-N 3.38Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 3.2Å; R337-I341 HydrophobicContact CG-CD1 3.57Å; R337-I341 HydrophobicContact CG-CG1 4.49Å; R337-I341 WeakPolarHBondContact O-CB 3.46Å; R337-I341 WeakPolarHBondContact O-CG1 3.01Å; R337-I341 PolarHBondContact O-N 3.09Å
338C98.6Very high97.8Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-64.2-50.1-177.6-70.50000111.7K334 E335 E336 H340 I341 F342 T344 N345 I352K334-C338 WeakPolarHBondContact O-CB 3.38Å; K334-C338 PolarHBondContact O-N 3.36Å; K334-C338 PolarHBondContact O-SG 2.9Å; E335-C338 PolarHBondContact O-N 2.83Å; E336-C338 VanDerWaalsContact C-N 3.31Å; E336-C338 PolarHBondContact O-N 3.14Å; C338-H340 VanDerWaalsContact C-N 3.33Å; C338-H340 PolarHBondContact O-N 3.5Å; C338-I341 PolarHBondContact O-N 3.45Å; C338-F342 HydrophobicContact CB-CD2 4.17Å; C338-F342 VanDerWaalsContact O-CD2 3.26Å; C338-F342 WeakPolarHBondContact O-CD2 3.49Å; C338-F342 PolarHBondContact O-N 3.22Å; C338-T344 CarbonylContact C-O 3.43Å; C338-T344 VanDerWaalsContact C-O 3.28Å; C338-N345 HydrophobicContact CB-CB 4.29Å; C338-I352 HydrophobicContact CB-CD1 4.3Å; C338-I352 HydrophobicContact CB-CG1 4.08Å; C338-I352 HydrophobicContact CB-CG2 4.47Å
339C98.5Very high97.8Very high52 Ų5248.5 Ų48.535%0.35126%0.255SS..Hα-helixtrans-60.2-42-179.6-72.90000112.3E335 E336 G343E335-C339 PolarHBondContact O-N 3.1Å; E335-C339 PolarHBondContact O-SG 2.79Å; E336-C339 PolarHBondContact O-N 3.43Å; C339-G343 VanDerWaalsContact O-CA 3.22Å; C339-G343 WeakPolarHBondContact O-CA 3.13Å; C339-G343 PolarHBondContact O-N 3.4Å
340H98.1Very high97.8Very high71 Ų7148.6 Ų48.633%0.32926%0.257SS..Hα-helixtrans-69.6-36.4177.5-83.7-78.3000113.2L273 Y274 E336 C338 R488L273-H340 HydrophobicContact CD1-CB 3.48Å; L273-H340 VanDerWaalsContact CD1-CB 3.48Å; L273-H340 HydrophobicContact CD2-CB 4.42Å; L273-H340 HydrophobicContact CG-CB 3.7Å; Y274-H340 AromaticContact CD1-CE1 3.69Å; Y274-H340 AromaticContact CE1-CE1 3.41Å; Y274-H340 VanDerWaalsContact CE1-CE1 3.41Å; Y274-H340 WeakPolarHBondContact CE1-CE1 3.34Å; Y274-H340 AromaticContact CE1-NE2 3.5Å; Y274-H340 AromaticContact CZ-CE1 3.95Å; Y274-H340 AromaticContact CZ-NE2 3.62Å; E336-H340 WeakPolarHBondContact O-CB 3.4Å; E336-H340 PolarHBondContact O-CD2 3.42Å; E336-H340 VanDerWaalsContact O-CD2 3.25Å; E336-H340 PolarHBondContact O-N 3.01Å; C338-H340 VanDerWaalsContact C-N 3.33Å; C338-H340 PolarHBondContact O-N 3.5Å; H340-R488 PolarHBondContact O-NH1 3.1Å
341I98.2Very high97.8Very high6 Ų648.6 Ų48.63%0.03126%0.257CS..Hα-helixtrans-81.1-46.8-176.6-65.4172.4000111.9L273 I291 P292 R337 C338 A485 R488L273-I341 HydrophobicContact CD1-CD1 4.42Å; L273-I341 HydrophobicContact CD1-CG1 4Å; I291-I341 HydrophobicContact CD1-CG2 4.23Å; P292-I341 HydrophobicContact CG-CD1 3.89Å; P292-I341 HydrophobicContact CG-CG1 4.38Å; R337-I341 HydrophobicContact CG-CD1 3.57Å; R337-I341 HydrophobicContact CG-CG1 4.49Å; R337-I341 WeakPolarHBondContact O-CB 3.46Å; R337-I341 WeakPolarHBondContact O-CG1 3.01Å; R337-I341 PolarHBondContact O-N 3.09Å; C338-I341 PolarHBondContact O-N 3.45Å; I341-A485 HydrophobicContact CG2-CB 3.79Å; I341-R488 VanDerWaalsContact O-CD 3.29Å; I341-R488 WeakPolarHBondContact O-CD 3.42Å
342F98.3Very high97.8Very high3 Ų346 Ų461%0.01324%0.241CC..Hα-helixtrans-106.6-9-168.9-50.6-77.4000113.3C338 T344 H349 I352 I355 L483 A485 Y525C338-F342 HydrophobicContact CB-CD2 4.17Å; C338-F342 VanDerWaalsContact O-CD2 3.26Å; C338-F342 WeakPolarHBondContact O-CD2 3.49Å; C338-F342 PolarHBondContact O-N 3.22Å; F342-T344 HydrophobicContact CB-CG2 4.13Å; F342-T344 PolarHBondContact O-N 3.39Å; F342-H349 AromaticContact CD1-CE1 3.31Å; F342-H349 WeakPolarHBondContact CD1-CE1 3.47Å; F342-H349 AromaticContact CD1-NE2 3.59Å; F342-H349 AromaticContact CE1-CE1 3.45Å; F342-H349 VanDerWaalsContact CE1-CE1 3.45Å; F342-H349 WeakPolarHBondContact CE1-CE1 3.21Å; F342-I352 HydrophobicContact CB-CD1 4Å; F342-I352 HydrophobicContact CD2-CD1 3.74Å; F342-I352 HydrophobicContact CD2-CG1 3.49Å; F342-I352 VanDerWaalsContact CD2-CG1 3.49Å; F342-I352 HydrophobicContact CE2-CG1 3.77Å; F342-I352 HydrophobicContact CG-CD1 3.98Å; F342-I352 HydrophobicContact CG-CG1 4.07Å; F342-I355 HydrophobicContact CE2-CD1 3.66Å; F342-I355 HydrophobicContact CZ-CD1 3.93Å; F342-L483 HydrophobicContact CE1-CB 4.16Å; F342-L483 WeakPolarHBondContact CE1-O 3.49Å; F342-A485 HydrophobicContact CD1-CB 3.6Å; F342-A485 HydrophobicContact CE1-CB 3.77Å; F342-Y525 WeakPolarHBondContact O-CE1 3.5Å; F342-Y525 PolarHBondContact O-OH 2.7Å
343G96.9Very high97.8Very high69 Ų6950.6 Ų50.671%0.71126%0.262SS*.SBendtrans69.69.3-172.200000113.8C339C339-G343 VanDerWaalsContact O-CA 3.22Å; C339-G343 WeakPolarHBondContact O-CA 3.13Å; C339-G343 PolarHBondContact O-N 3.4Å
344T97.1Very high97.7Very high22 Ų2246 Ų4614%0.13525%0.248CC..  trans-155.7162.8-179.9-173.40000109.6C338 F342 H346 I352 L524C338-T344 CarbonylContact C-O 3.43Å; C338-T344 VanDerWaalsContact C-O 3.28Å; F342-T344 HydrophobicContact CB-CG2 4.13Å; F342-T344 PolarHBondContact O-N 3.39Å; T344-H346 PolarHBondContact OG1-N 2.95Å; T344-I352 HydrophobicContact CG2-CD1 3.9Å; T344-I352 VanDerWaalsContact O-CD1 3.31Å; T344-I352 WeakPolarHBondContact O-CD1 3.36Å; T344-L524 HydrophobicContact CG2-CD1 4.19Å; T344-L524 HydrophobicContact CG2-CD2 4.02Å
345N96.7Very high97.7Very high64 Ų6445.1 Ų45.134%0.34225%0.245SC..  trans-121.717.7170.663.7-4.4000111.6E335 C338 I347 M356E335-N345 HydrophobicContact CG-CB 4.33Å; E335-N345 PolarHBondContact OE1-ND2 3.34Å; C338-N345 HydrophobicContact CB-CB 4.29Å; N345-I347 PolarHBondContact O-N 3.08Å; N345-M356 HydrophobicContact CB-CE 4.41Å
346H97.4Very high97.7Very high53 Ų5342.1 Ų42.125%0.24523%0.232CC..  trans-62.9121.6-175.9-168.8-63.6000111.8T344 N348 H349 P517T344-H346 PolarHBondContact OG1-N 2.95Å; H346-N348 VanDerWaalsContact C-N 3.29Å; H346-N348 PolarHBondContact ND1-N 3.38Å; H346-N348 PolarHBondContact O-N 3.4Å; H346-N348 VanDerWaalsContact O-N 3.16Å; H346-H349 VanDerWaalsContact O-CB 3.32Å; H346-H349 WeakPolarHBondContact O-CB 3.21Å; H346-H349 PolarHBondContact O-N 3.49Å; H346-P517 HydrophobicContact CB-CB 4.49Å; H346-P517 HydrophobicContact CB-CG 3.66Å; H346-P517 PolarHBondContact CE1-O 2.94Å
347I95.6Very high97.6Very high86 Ų8644 Ų4444%0.44125%0.252SS..THydrogen-bonded Turntrans-59.6-33-168.7-165.863.8000114.3N345 H349 E353 M356N345-I347 PolarHBondContact O-N 3.08Å; I347-H349 PolarHBondContact O-N 2.9Å; I347-E353 WeakPolarHBondContact O-CB 3.33Å; I347-M356 HydrophobicContact CD1-CB 3.76Å; I347-M356 HydrophobicContact CD1-CG 3.77Å
348N96.7Very high97.6Very high107 Ų10744.4 Ų44.457%0.57226%0.258SS*.THydrogen-bonded Turntrans-73.2-1.7177.4-59.6-11.2000114.4H346 P517H346-N348 VanDerWaalsContact C-N 3.29Å; H346-N348 PolarHBondContact ND1-N 3.38Å; H346-N348 PolarHBondContact O-N 3.4Å; H346-N348 VanDerWaalsContact O-N 3.16Å; N348-P517 HydrophobicContact CB-CB 3.9Å; N348-P517 WeakPolarHBondContact CB-O 3.32Å; N348-P517 PolarHBondContact ND2-O 3.36Å
349H98Very high97.5Very high0 Ų045.3 Ų45.30%027%0.267CS..SBendtrans-73.5125.5168.1179-72.8000108.4F342 H346 I347 S351 I352 E353 L483 Y484 L514 P517F342-H349 AromaticContact CD1-CE1 3.31Å; F342-H349 WeakPolarHBondContact CD1-CE1 3.47Å; F342-H349 AromaticContact CD1-NE2 3.59Å; F342-H349 AromaticContact CE1-CE1 3.45Å; F342-H349 VanDerWaalsContact CE1-CE1 3.45Å; F342-H349 WeakPolarHBondContact CE1-CE1 3.21Å; H346-H349 VanDerWaalsContact O-CB 3.32Å; H346-H349 WeakPolarHBondContact O-CB 3.21Å; H346-H349 PolarHBondContact O-N 3.49Å; I347-H349 PolarHBondContact O-N 2.9Å; H349-S351 VanDerWaalsContact C-N 3.34Å; H349-S351 PolarHBondContact ND1-N 3.17Å; H349-S351 PolarHBondContact O-N 2.96Å; H349-I352 HydrophobicContact CB-CB 3.98Å; H349-I352 HydrophobicContact CB-CD1 3.62Å; H349-I352 HydrophobicContact CB-CG1 3.97Å; H349-I352 PolarHBondContact ND1-N 2.77Å; H349-I352 WeakPolarHBondContact O-CA 3.29Å; H349-I352 WeakPolarHBondContact O-CB 3.36Å; H349-I352 PolarHBondContact O-N 3.35Å; H349-E353 PolarHBondContact O-N 2.91Å; H349-L483 PolarHBondContact CE1-O 3.46Å; H349-Y484 PolarHBondContact NE2-O 2.93Å; H349-L514 WeakPolarHBondContact NE2-CD2 3.34Å; H349-P517 HydrophobicContact CB-CB 4.32Å; H349-P517 HydrophobicContact CB-CG 4.18Å
350P97.1Very high97.5Very high19 Ų1946.5 Ų46.512%0.12327%0.27CS..Hα-helixtrans-69-31-159.532-40.7000112.9M354 W444 K446 Y484P350-M354 WeakPolarHBondContact O-CG 3.35Å; P350-M354 PolarHBondContact O-N 3.17Å; P350-W444 HydrophobicContact CB-CH2 3.9Å; P350-W444 HydrophobicContact CG-CH2 4.43Å; P350-K446 HydrophobicContact CB-CB 4.36Å; P350-K446 HydrophobicContact CG-CB 4.31Å; P350-K446 HydrophobicContact CG-CD 4.46Å; P350-Y484 HydrophobicContact CG-CD2 3.9Å; P350-Y484 HydrophobicContact CG-CE2 4.27Å
351S97.9Very high97.5Very high3 Ų345.7 Ų45.72%0.02126%0.264CS..Hα-helixtrans-79.5-22.4171.6-560000114H349 I355 L483H349-S351 VanDerWaalsContact C-N 3.34Å; H349-S351 PolarHBondContact ND1-N 3.17Å; H349-S351 PolarHBondContact O-N 2.96Å; S351-I355 WeakPolarHBondContact O-CD1 3.22Å; S351-I355 VanDerWaalsContact O-CG1 3.26Å; S351-I355 WeakPolarHBondContact O-CG1 3.26Å; S351-I355 PolarHBondContact O-N 3.45Å; S351-I355 VanDerWaalsContact O-N 3.12Å; S351-L483 WeakPolarHBondContact CB-O 3.49Å; S351-L483 WeakPolarHBondContact OG-CA 3.47Å; S351-L483 PolarHBondContact OG-O 2.82Å
352I98.4Very high97.5Very high0 Ų045.4 Ų45.40%026%0.263CS..Hα-helixtrans-74.4-42.9175.6-70.1170000108.9C338 F342 T344 H349 M354 I355 M356C338-I352 HydrophobicContact CB-CD1 4.3Å; C338-I352 HydrophobicContact CB-CG1 4.08Å; C338-I352 HydrophobicContact CB-CG2 4.47Å; F342-I352 HydrophobicContact CB-CD1 4Å; F342-I352 HydrophobicContact CD2-CD1 3.74Å; F342-I352 HydrophobicContact CD2-CG1 3.49Å; F342-I352 VanDerWaalsContact CD2-CG1 3.49Å; F342-I352 HydrophobicContact CE2-CG1 3.77Å; F342-I352 HydrophobicContact CG-CD1 3.98Å; F342-I352 HydrophobicContact CG-CG1 4.07Å; T344-I352 HydrophobicContact CG2-CD1 3.9Å; T344-I352 VanDerWaalsContact O-CD1 3.31Å; T344-I352 WeakPolarHBondContact O-CD1 3.36Å; H349-I352 HydrophobicContact CB-CB 3.98Å; H349-I352 HydrophobicContact CB-CD1 3.62Å; H349-I352 HydrophobicContact CB-CG1 3.97Å; H349-I352 PolarHBondContact ND1-N 2.77Å; H349-I352 WeakPolarHBondContact O-CA 3.29Å; H349-I352 WeakPolarHBondContact O-CB 3.36Å; H349-I352 PolarHBondContact O-N 3.35Å; I352-M354 VanDerWaalsContact C-N 3.28Å; I352-M354 PolarHBondContact O-N 3.23Å; I352-I355 PolarHBondContact O-N 2.9Å; I352-I355 VanDerWaalsContact O-N 3.1Å; I352-M356 HydrophobicContact CG2-CE 4.23Å; I352-M356 HydrophobicContact CG2-CG 3.93Å; I352-M356 WeakPolarHBondContact O-CB 3.34Å; I352-M356 VanDerWaalsContact O-CG 3.29Å; I352-M356 WeakPolarHBondContact O-CG 3.49Å; I352-M356 PolarHBondContact O-N 3.06Å
353E97.7Very high97.5Very high108 Ų10845.3 Ų45.351%0.50526%0.263SS..Hα-helixtrans-51.2-48.1172.5-172.3-180-169.500111.8I347 H349 M356 S357I347-E353 WeakPolarHBondContact O-CB 3.33Å; H349-E353 PolarHBondContact O-N 2.91Å; E353-M356 PolarHBondContact O-N 2.9Å; E353-S357 WeakPolarHBondContact O-CB 3.38Å; E353-S357 PolarHBondContact O-N 3.31Å; E353-S357 PolarHBondContact O-OG 2.8Å
354M97.2Very high97.6Very high67 Ų6742 Ų4233%0.3323%0.229SC..Hα-helixtrans-62.2-43.4176.5-69.6177.5133.900112.6L244 P350 I352 S358 W444L244-M354 HydrophobicContact CD2-CE 4.11Å; L244-M354 HydrophobicContact CD2-SD 3.97Å; P350-M354 WeakPolarHBondContact O-CG 3.35Å; P350-M354 PolarHBondContact O-N 3.17Å; I352-M354 VanDerWaalsContact C-N 3.28Å; I352-M354 PolarHBondContact O-N 3.23Å; M354-S358 WeakPolarHBondContact O-CB 3.36Å; M354-S358 PolarHBondContact O-N 2.89Å; M354-S358 VanDerWaalsContact O-N 3.11Å; M354-W444 HydrophobicContact CE-CD2 4.04Å; M354-W444 HydrophobicContact CE-CG 4.39Å; M354-W444 HydrophobicContact CE-CH2 4.35Å; M354-W444 HydrophobicContact CE-CZ2 3.75Å; M354-W444 HydrophobicContact SD-CD2 4.34Å; M354-W444 HydrophobicContact SD-CE3 4.39Å; M354-W444 HydrophobicContact SD-CH2 3.8Å; M354-W444 HydrophobicContact SD-CZ2 3.81Å; M354-W444 HydrophobicContact SD-CZ3 4.14Å
355I98.2Very high97.6Very high13 Ų1341 Ų417%0.06722%0.222CC..Hα-helixtrans-66.1-45.3178.5-71.9164.1000110.8K334 F342 S351 I352 S357 S358K334-I355 HydrophobicContact CB-CG2 4.08Å; K334-I355 WeakPolarHBondContact CD-O 3.47Å; K334-I355 WeakPolarHBondContact CE-O 3.45Å; K334-I355 HydrophobicContact CG-CG2 4.06Å; F342-I355 HydrophobicContact CE2-CD1 3.66Å; F342-I355 HydrophobicContact CZ-CD1 3.93Å; S351-I355 WeakPolarHBondContact O-CD1 3.22Å; S351-I355 VanDerWaalsContact O-CG1 3.26Å; S351-I355 WeakPolarHBondContact O-CG1 3.26Å; S351-I355 PolarHBondContact O-N 3.45Å; S351-I355 VanDerWaalsContact O-N 3.12Å; I352-I355 PolarHBondContact O-N 2.9Å; I352-I355 VanDerWaalsContact O-N 3.1Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 2.78Å; I355-S358 WeakPolarHBondContact O-CB 3.12Å; I355-S358 PolarHBondContact O-N 3.32Å; I355-S358 VanDerWaalsContact O-N 3.15Å; I355-S358 PolarHBondContact O-OG 3.13Å
356M98.1Very high97.7Very high58 Ų5839.8 Ų39.829%0.28622%0.216SC..Hα-helixtrans-61.8-37.9-179.6-70-59.9-172.200111.6K334 N345 I347 I352 E353 S358K334-M356 HydrophobicContact CB-SD 3.86Å; K334-M356 PolarHBondContact NZ-O 3.4Å; K334-M356 VanDerWaalsContact NZ-O 3.14Å; N345-M356 HydrophobicContact CB-CE 4.41Å; I347-M356 HydrophobicContact CD1-CB 3.76Å; I347-M356 HydrophobicContact CD1-CG 3.77Å; I352-M356 HydrophobicContact CG2-CE 4.23Å; I352-M356 HydrophobicContact CG2-CG 3.93Å; I352-M356 WeakPolarHBondContact O-CB 3.34Å; I352-M356 VanDerWaalsContact O-CG 3.29Å; I352-M356 WeakPolarHBondContact O-CG 3.49Å; I352-M356 PolarHBondContact O-N 3.06Å; E353-M356 PolarHBondContact O-N 2.9Å; M356-S358 VanDerWaalsContact C-N 3.35Å
357S97.2Very high97.7Very high97 Ų9737.4 Ų37.468%0.67821%0.205SC*.THydrogen-bonded Turntrans-82-7.9178.7-50.70000114.4E353 I355E353-S357 WeakPolarHBondContact O-CB 3.38Å; E353-S357 PolarHBondContact O-N 3.31Å; E353-S357 PolarHBondContact O-OG 2.8Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 2.78Å
358S97.5Very high97.8Very high35 Ų3537.8 Ų37.825%0.24520%0.203CC..SBendtrans-80.6179.3-179.772.80000112.8H332 K334 M354 I355 M356H332-S358 PolarHBondContact CE1-OG 2.93Å; H332-S358 VanDerWaalsContact CE1-OG 3.3Å; K334-S358 VanDerWaalsContact CE-O 3.22Å; K334-S358 WeakPolarHBondContact CE-O 3.43Å; K334-S358 PolarHBondContact NZ-O 3.12Å; M354-S358 WeakPolarHBondContact O-CB 3.36Å; M354-S358 PolarHBondContact O-N 2.89Å; M354-S358 VanDerWaalsContact O-N 3.11Å; I355-S358 WeakPolarHBondContact O-CB 3.12Å; I355-S358 PolarHBondContact O-N 3.32Å; I355-S358 VanDerWaalsContact O-N 3.15Å; I355-S358 PolarHBondContact O-OG 3.13Å; M356-S358 VanDerWaalsContact C-N 3.35Å
359G97.7Very high97.9Very high18 Ų1832.7 Ų32.719%0.18618%0.176CC..  trans-63.4157.3178.200000114.9V297 H332 K334 W361V297-G359 CarbonylContact O-C 3.49Å; V297-G359 VanDerWaalsContact O-CA 3.23Å; V297-G359 WeakPolarHBondContact O-CA 3.45Å; H332-G359 PolarHBondContact ND1-O 3.12Å; K334-G359 WeakPolarHBondContact CE-O 3.3Å; G359-W361 VanDerWaalsContact C-N 3.33Å
360D98.2Very high97.9Very high78 Ų7833.2 Ų33.242%0.41718%0.178SC..SBendtrans-85.5-3.7-178-63.4-34.9000113.9V297 N299 H332 K334V297-D360 PolarHBondContact O-N 3.29Å; N299-D360 PolarHBondContact ND2-OD2 2.83Å; H332-D360 VanDerWaalsContact CB-C 3.45Å; H332-D360 VanDerWaalsContact CB-O 3.28Å; H332-D360 WeakPolarHBondContact CB-O 3.25Å; H332-D360 PolarHBondContact N-O 3.01Å; K334-D360 WeakPolarHBondContact CE-OD1 3.47Å; K334-D360 IonicContact NZ-OD1 2.78Å; K334-D360 PolarHBondContact NZ-OD1 2.94Å
361W98.2Very high97.8Very high54 Ų5437.8 Ų37.821%0.20520%0.196CC..EExtended strand (participates in β ladder)trans-119.8148.4174.1-6682.8000110.5A296 V297 N299 K302 F329 P331 G359A296-W361 CarbonylContact C-O 3.28Å; A296-W361 VanDerWaalsContact CA-O 3.3Å; A296-W361 WeakPolarHBondContact CA-O 3.36Å; V297-W361 HydrophobicContact CG2-CB 3.79Å; V297-W361 PolarHBondContact N-O 3.48Å; V297-W361 PolarHBondContact O-N 3.01Å; N299-W361 PolarHBondContact OD1-NE1 3.29Å; K302-W361 HydrophobicContact CB-CB 4.4Å; K302-W361 HydrophobicContact CB-CG 4.09Å; K302-W361 HydrophobicContact CD-CD2 3.83Å; K302-W361 HydrophobicContact CD-CE3 4.23Å; K302-W361 HydrophobicContact CD-CG 4.24Å; K302-W361 HydrophobicContact CD-CH2 4.47Å; K302-W361 HydrophobicContact CD-CZ2 4.07Å; K302-W361 HydrophobicContact CG-CB 4.44Å; K302-W361 HydrophobicContact CG-CD2 3.88Å; K302-W361 HydrophobicContact CG-CE3 4.21Å; K302-W361 HydrophobicContact CG-CG 3.94Å; K302-W361 VanDerWaalsContact NZ-CH2 3.26Å; F329-W361 HydrophobicContact CB-CE3 4.27Å; P331-W361 HydrophobicContact CG-CH2 4.38Å; P331-W361 HydrophobicContact CG-CZ3 4.14Å; G359-W361 VanDerWaalsContact C-N 3.33Å
362L98.5Very high97.8Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-105.3143.5165.1-63.5-179.5000108.9Y269 V294 L295 A296 F329 F330 H332Y269-L362 HydrophobicContact CD2-CD1 4.31Å; Y269-L362 HydrophobicContact CE2-CD1 4.14Å; V294-L362 HydrophobicContact CB-CD1 3.99Å; V294-L362 HydrophobicContact CB-CD2 3.94Å; V294-L362 HydrophobicContact CB-CG 4.42Å; V294-L362 HydrophobicContact CG1-CD1 4Å; V294-L362 HydrophobicContact CG2-CD1 4.05Å; V294-L362 HydrophobicContact CG2-CD2 3.76Å; L295-L362 WeakPolarHBondContact O-CA 3.44Å; A296-L362 HydrophobicContact CB-CD2 3.97Å; F329-L362 WeakPolarHBondContact CA-O 3.31Å; F330-L362 HydrophobicContact CD1-CB 4.4Å; F330-L362 HydrophobicContact CD2-CB 4.24Å; F330-L362 HydrophobicContact CE1-CB 3.91Å; F330-L362 HydrophobicContact CE2-CB 3.76Å; F330-L362 HydrophobicContact CE2-CD1 3.62Å; F330-L362 HydrophobicContact CE2-CG 4.23Å; F330-L362 HydrophobicContact CZ-CB 3.57Å; F330-L362 HydrophobicContact CZ-CD1 3.89Å; F330-L362 HydrophobicContact CZ-CG 4.37Å; F330-L362 PolarHBondContact N-O 2.77Å; F330-L362 PolarHBondContact O-N 3.01Å; H332-L362 HydrophobicContact CB-CD1 4.49Å; H332-L362 HydrophobicContact CB-CD2 4.1Å; H332-L362 HydrophobicContact CB-CG 3.78Å
363V98.1Very high97.7Very high1 Ų141.1 Ų41.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-119.2118.3172.165.90000110.5F263 L295 V297 I312 L324 C327 E328 F329F263-V363 WeakPolarHBondContact CB-O 3.44Å; L295-V363 HydrophobicContact CB-CG1 4Å; L295-V363 HydrophobicContact CD2-CG1 3.82Å; L295-V363 HydrophobicContact CG-CG1 3.98Å; L295-V363 PolarHBondContact O-N 3.3Å; V297-V363 HydrophobicContact CG1-CG1 3.76Å; I312-V363 HydrophobicContact CD1-CG2 4.2Å; L324-V363 HydrophobicContact CD2-CB 4.49Å; L324-V363 HydrophobicContact CD2-CG1 4.02Å; L324-V363 HydrophobicContact CD2-CG2 3.84Å; C327-V363 HydrophobicContact CB-CG2 3.86Å; E328-V363 WeakPolarHBondContact O-CA 3.37Å; F329-V363 HydrophobicContact CD1-CB 3.78Å; F329-V363 HydrophobicContact CD1-CG2 3.81Å; F329-V363 HydrophobicContact CD2-CG2 4.39Å; F329-V363 HydrophobicContact CE1-CB 3.67Å; F329-V363 HydrophobicContact CE1-CG2 3.48Å; F329-V363 VanDerWaalsContact CE1-CG2 3.48Å; F329-V363 HydrophobicContact CE2-CG2 4.11Å; F329-V363 HydrophobicContact CG-CG2 4.27Å; F329-V363 HydrophobicContact CZ-CB 4.36Å; F329-V363 HydrophobicContact CZ-CG2 3.66Å
364G98.1Very high97.7Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-97158.417100000111.3F263 M264 C327 E328F263-G364 CarbonylContact O-C 3.5Å; F263-G364 VanDerWaalsContact O-CA 3.24Å; F263-G364 WeakPolarHBondContact O-CA 3.22Å; M264-G364 WeakPolarHBondContact O-CA 3.35Å; C327-G364 CarbonylContact C-O 3.22Å; C327-G364 VanDerWaalsContact CA-O 3.26Å; C327-G364 WeakPolarHBondContact CA-O 3.27Å; E328-G364 PolarHBondContact N-O 3.39Å; E328-G364 PolarHBondContact O-N 2.8Å
365G97.5Very high97.6Very high0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans171.3175.3-179.100000114.5G262 F263 L324 R325G262-G365 WeakPolarHBondContact CA-O 3.48Å; F263-G365 PolarHBondContact O-N 2.93Å; L324-G365 VanDerWaalsContact CD1-C 3.43Å; R325-G365 CarbonylContact O-C 3.57Å; R325-G365 WeakPolarHBondContact O-CA 3.36Å
366D97.6Very high97.5Very high39 Ų3948 Ų4821%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-87.1113.7175.4-52.5-35.3000109.2R265 R325 N326R265-D366 IonicContact CZ-OD1 2.74Å; R265-D366 IonicContact NH1-OD1 3.45Å; R265-D366 PolarHBondContact NH1-OD1 2.93Å; R265-D366 VanDerWaalsContact NH2-CG 3.31Å; R265-D366 IonicContact NH2-OD1 3.51Å; R265-D366 PolarHBondContact NH2-OD1 2.94Å; R265-D366 IonicContact NH2-OD2 3.57Å; R265-D366 PolarHBondContact NH2-OD2 3.22Å; R325-D366 HydrophobicContact CB-CB 4.42Å; R325-D366 PolarHBondContact N-O 2.86Å; R325-D366 PolarHBondContact O-N 3.23Å; N326-D366 PolarHBondContact ND2-OD2 3.44Å
367L98.6Very high97.5Very high2 Ų248.8 Ų48.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-86.2133.5-177178.466.3000110.3L218 I249 L252 N261 L314 L324 V369L218-L367 HydrophobicContact CD1-CB 4.15Å; L218-L367 HydrophobicContact CD1-CD2 4.22Å; I249-L367 HydrophobicContact CG1-CD2 4.48Å; I249-L367 HydrophobicContact CG2-CD2 4.18Å; L252-L367 HydrophobicContact CB-CD2 3.83Å; L252-L367 HydrophobicContact CD1-CD2 3.91Å; N261-L367 PolarHBondContact O-N 2.83Å; L314-L367 HydrophobicContact CD1-CD1 3.62Å; L324-L367 HydrophobicContact CD1-CB 4.28Å; L367-V369 HydrophobicContact CD1-CG2 4.03Å; L367-V369 HydrophobicContact CD2-CG2 3.93Å; L367-V369 HydrophobicContact CG-CG2 3.8Å
368K98.2Very high97.5Very high95 Ų9547 Ų4741%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-124.3120.9168.2-63-65.7-174.1177.50108.6V220 G322 M323V220-K368 HydrophobicContact CG2-CB 3.88Å; V220-K368 HydrophobicContact CG2-CD 4.06Å; V220-K368 HydrophobicContact CG2-CG 4.41Å; G322-K368 CarbonylContact C-O 3.53Å; G322-K368 WeakPolarHBondContact CA-O 3.4Å; M323-K368 HydrophobicContact CG-CB 3.84Å; M323-K368 HydrophobicContact CG-CG 4.43Å; M323-K368 PolarHBondContact N-O 3.34Å; M323-K368 PolarHBondContact O-N 3.44Å
369V98.5Very high97.5Very high0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-108.5130.7179-1750000110L218 Y219 V220 I249 A253 I321 L367 K371L218-V369 PolarHBondContact O-N 3.19Å; Y219-V369 CarbonylContact C-O 3.56Å; Y219-V369 VanDerWaalsContact CA-O 3.32Å; Y219-V369 WeakPolarHBondContact CA-O 3.34Å; Y219-V369 HydrophobicContact CD1-CB 3.8Å; Y219-V369 HydrophobicContact CD1-CG1 3.81Å; Y219-V369 HydrophobicContact CE1-CB 4.03Å; Y219-V369 HydrophobicContact CE1-CG1 3.68Å; V220-V369 PolarHBondContact N-O 2.88Å; I249-V369 HydrophobicContact CG2-CG2 3.71Å; A253-V369 HydrophobicContact CB-CB 4.02Å; A253-V369 HydrophobicContact CB-CG1 4.42Å; A253-V369 HydrophobicContact CB-CG2 3.64Å; I321-V369 HydrophobicContact CG2-CG1 4.21Å; L367-V369 HydrophobicContact CD1-CG2 4.03Å; L367-V369 HydrophobicContact CD2-CG2 3.93Å; L367-V369 HydrophobicContact CG-CG2 3.8Å; V369-K371 WeakPolarHBondContact CG1-O 3.48Å
370F97.3Very high97.5Very high10 Ų1047.2 Ų47.24%0.04424%0.237CC..SBendtrans-85.7-15.9-168-58.6-34000114.7V220 V226 L229 K230 I320 I321 M323V220-F370 HydrophobicContact CG2-CD1 4.34Å; V226-F370 HydrophobicContact CG1-CB 4.09Å; L229-F370 HydrophobicContact CB-CD1 4.46Å; L229-F370 HydrophobicContact CB-CE1 3.59Å; L229-F370 HydrophobicContact CB-CZ 3.92Å; L229-F370 HydrophobicContact CD1-CE1 4.01Å; L229-F370 HydrophobicContact CG-CE1 4.46Å; K230-F370 HydrophobicContact CD-CD2 4.39Å; K230-F370 HydrophobicContact CG-CD2 3.61Å; K230-F370 HydrophobicContact CG-CE2 3.78Å; K230-F370 HydrophobicContact CG-CG 4.18Å; I320-F370 HydrophobicContact CG2-CD2 4.06Å; I320-F370 HydrophobicContact CG2-CE2 3.61Å; I321-F370 PolarHBondContact O-N 3.35Å; M323-F370 HydrophobicContact CB-CZ 4.31Å; M323-F370 HydrophobicContact CE-CE1 4.47Å; M323-F370 HydrophobicContact CE-CZ 3.96Å; M323-F370 HydrophobicContact CG-CE1 4.19Å; M323-F370 HydrophobicContact CG-CZ 3.98Å
371K95.3Very high97.5Very high116 Ų11652.3 Ų52.350%0.50425%0.25SS..SBendtrans-155.7153178.462.3179.6-178.6179.10110.7Y219 V369 I373Y219-K371 VanDerWaalsContact CE1-O 3.28Å; Y219-K371 WeakPolarHBondContact CE1-O 3.13Å; V369-K371 WeakPolarHBondContact CG1-O 3.48Å; K371-I373 PolarHBondContact O-N 2.74Å
372R96.9Very high97.5Very high59 Ų5950.6 Ų50.622%0.22324%0.244CC..  trans-50.1126.3167.3-173.976.4-177.590.9-10.6109.8Y219 E254 K374 R383Y219-R372 PolarHBondContact OH-NH1 3.06Å; Y219-R372 VanDerWaalsContact OH-NH1 3.14Å; E254-R372 VanDerWaalsContact CD-NH1 3.32Å; E254-R372 IonicContact OE1-CZ 2.94Å; E254-R372 IonicContact OE1-NH1 3.55Å; E254-R372 PolarHBondContact OE1-NH1 3.34Å; E254-R372 IonicContact OE1-NH2 2.77Å; E254-R372 PolarHBondContact OE1-NH2 3.06Å; E254-R372 IonicContact OE2-NH2 3.35Å; R372-K374 PolarHBondContact O-N 3.25Å; R372-R383 PolarHBondContact NH2-O 2.87Å
373I97.4Very high97.5Very high13 Ų1351.2 Ų51.27%0.06725%0.246CC..  trans-70.3129.5173.8-68.5166.7000108.8L246 I249 Q250 I321 K371L246-I373 HydrophobicContact CD1-CD1 3.65Å; L246-I373 HydrophobicContact CD1-CG1 4.14Å; L246-I373 HydrophobicContact CD1-CG2 4.5Å; L246-I373 HydrophobicContact CG-CD1 4.33Å; L246-I373 HydrophobicContact CG-CG2 4.38Å; I249-I373 HydrophobicContact CB-CD1 4.38Å; I249-I373 HydrophobicContact CG2-CD1 3.8Å; Q250-I373 HydrophobicContact CB-CB 4.39Å; Q250-I373 HydrophobicContact CB-CD1 3.72Å; Q250-I373 HydrophobicContact CB-CG2 4.38Å; Q250-I373 HydrophobicContact CG-CB 4.27Å; Q250-I373 HydrophobicContact CG-CD1 4.43Å; Q250-I373 HydrophobicContact CG-CG2 4.39Å; I321-I373 HydrophobicContact CG2-CD1 4.49Å; K371-I373 PolarHBondContact O-N 2.74Å
374K96.7Very high97.5Very high140 Ų14052.6 Ų52.661%0.60925%0.253SS*.  trans-130.9136.1176.1-68.7-171.2176.8-173.60108.8R372R372-K374 PolarHBondContact O-N 3.25Å
375W96.7Very high97.5Very high57 Ų5752.7 Ų52.722%0.21625%0.254CS..  trans-93.7-19.1-176.6-67.789.7000112.8E243 L246 Q247 D377 D380 R383E243-W375 HydrophobicContact CG-CH2 3.67Å; E243-W375 HydrophobicContact CG-CZ3 3.6Å; L246-W375 HydrophobicContact CB-CH2 4.49Å; L246-W375 HydrophobicContact CD2-CH2 3.9Å; L246-W375 HydrophobicContact CD2-CZ2 4.27Å; L246-W375 HydrophobicContact CD2-CZ3 4.33Å; L246-W375 HydrophobicContact CG-CH2 4.3Å; L246-W375 HydrophobicContact CG-CZ2 4.41Å; Q247-W375 HydrophobicContact CG-CH2 3.63Å; Q247-W375 HydrophobicContact CG-CZ2 3.53Å; W375-D377 HydrophobicContact CB-CB 4.41Å; W375-D377 PolarHBondContact O-N 3.04Å; W375-D380 PolarHBondContact N-OD1 3.2Å; W375-D380 PolarHBondContact N-OD2 3.1Å; W375-D380 VanDerWaalsContact N-OD2 3.07Å; W375-R383 VanDerWaalsContact CD1-NE 3.34Å
376N96.3Very high97.5Very high136 Ų13652.7 Ų52.773%0.72725%0.254SS*.  trans53.434.2-177.8-52.6-59000113.1D380N376-D380 WeakPolarHBondContact CA-OD2 3.45Å; N376-D380 PolarHBondContact N-OD2 3.49Å
377D96.6Very high97.3Very high74 Ų7454.1 Ų54.140%0.39626%0.258SS..SBendtrans-100.211.5-179.566.1-10.6000112.8W375 L379 R383W375-D377 HydrophobicContact CB-CB 4.41Å; W375-D377 PolarHBondContact O-N 3.04Å; D377-L379 VanDerWaalsContact C-N 3.25Å; D377-L379 PolarHBondContact O-N 2.74Å; D377-L379 WeakPolarHBondContact OD1-CB 3.47Å; D377-L379 PolarHBondContact OD1-N 3.04Å; D377-R383 IonicContact OD1-CZ 3.53Å; D377-R383 IonicContact OD1-NH1 3.73Å; D377-R383 PolarHBondContact OD1-NH1 2.77Å; D377-R383 IonicContact OD1-NH2 3.06Å; D377-R383 IonicContact OD2-CZ 2.67Å; D377-R383 IonicContact OD2-NH1 3.32Å; D377-R383 PolarHBondContact OD2-NH1 3.12Å; D377-R383 IonicContact OD2-NH2 2.97Å; D377-R383 PolarHBondContact OD2-NH2 3.48Å
378G97.6Very high97.2Very high61 Ų6157.9 Ų57.963%0.62928%0.276SS*.SBendtrans79.6-1.9-17500000114.7
379L98.2Very high97.2Very high18 Ų1853.4 Ų53.49%0.09426%0.256CS..  trans-109.1-3.2-176.5-55178.1000114D377 R381 Y382 L452 N453 I456 I477D377-L379 VanDerWaalsContact C-N 3.25Å; D377-L379 PolarHBondContact O-N 2.74Å; D377-L379 WeakPolarHBondContact OD1-CB 3.47Å; D377-L379 PolarHBondContact OD1-N 3.04Å; L379-R381 PolarHBondContact O-N 2.93Å; L379-Y382 HydrophobicContact CB-CD2 4.42Å; L379-Y382 HydrophobicContact CD2-CD2 4.27Å; L379-Y382 HydrophobicContact CD2-CE2 4.3Å; L379-Y382 WeakPolarHBondContact O-CB 3.43Å; L379-Y382 PolarHBondContact O-N 3.14Å; L379-L452 HydrophobicContact CD1-CD2 4.03Å; L379-L452 HydrophobicContact CD1-CG 3.87Å; L379-N453 HydrophobicContact CD1-CB 4.03Å; L379-I456 HydrophobicContact CD1-CG1 4.49Å; L379-I456 HydrophobicContact CD2-CB 4.21Å; L379-I456 HydrophobicContact CD2-CG1 4.44Å; L379-I456 HydrophobicContact CD2-CG2 4.04Å; L379-I477 HydrophobicContact CB-CD1 3.94Å
380D98.3Very high96.9Very high38 Ų3853.7 Ų53.720%0.20326%0.258CS..G310 helixtrans-57.6-26.4-177.8-73.1-35.2000113.5W375 N376 Y382 R383W375-D380 PolarHBondContact N-OD1 3.2Å; W375-D380 PolarHBondContact N-OD2 3.1Å; W375-D380 VanDerWaalsContact N-OD2 3.07Å; N376-D380 WeakPolarHBondContact CA-OD2 3.45Å; N376-D380 PolarHBondContact N-OD2 3.49Å; D380-Y382 PolarHBondContact O-N 3.31Å; D380-R383 PolarHBondContact O-N 3.07Å; D380-R383 IonicContact OD1-CZ 3.27Å; D380-R383 IonicContact OD1-NH1 3.64Å; D380-R383 PolarHBondContact OD1-NH1 2.85Å
381R97.7Very high96.7Very high185 Ų18556.5 Ų56.570%0.69828%0.278SS*.G310 helixtrans-62.1-22.317471.4-179.7-175.8-165.40.5114L379L379-R381 PolarHBondContact O-N 2.93Å
382Y98.1Very high96.8Very high18 Ų1853.9 Ų53.97%0.07127%0.267CS..G310 helixtrans-93-11.7175-57.3-80.5000112L379 D380 L384 I456 E460 L475 A476 I477L379-Y382 HydrophobicContact CB-CD2 4.42Å; L379-Y382 HydrophobicContact CD2-CD2 4.27Å; L379-Y382 HydrophobicContact CD2-CE2 4.3Å; L379-Y382 WeakPolarHBondContact O-CB 3.43Å; L379-Y382 PolarHBondContact O-N 3.14Å; D380-Y382 PolarHBondContact O-N 3.31Å; Y382-L384 VanDerWaalsContact C-N 3.28Å; Y382-L384 PolarHBondContact O-N 3.21Å; Y382-I456 HydrophobicContact CD2-CG2 3.92Å; Y382-I456 HydrophobicContact CE1-CG2 4.3Å; Y382-I456 HydrophobicContact CE2-CG2 3.61Å; Y382-I456 HydrophobicContact CG-CG2 4.4Å; Y382-E460 VanDerWaalsContact CE1-OE1 3.22Å; Y382-E460 WeakPolarHBondContact CE1-OE1 3.35Å; Y382-E460 VanDerWaalsContact CZ-OE1 3.28Å; Y382-E460 PolarHBondContact OH-OE1 3.09Å; Y382-L475 HydrophobicContact CD1-CD2 4.21Å; Y382-L475 HydrophobicContact CD1-CG 4.02Å; Y382-L475 HydrophobicContact CE1-CD2 3.89Å; Y382-L475 HydrophobicContact CE1-CG 4.19Å; Y382-A476 CarbonylContact O-C 3.57Å; Y382-A476 VanDerWaalsContact O-CA 3.3Å; Y382-A476 WeakPolarHBondContact O-CA 3.27Å; Y382-I477 HydrophobicContact CG-CD1 4.47Å; Y382-I477 PolarHBondContact O-N 2.8Å
383R98.2Very high96.7Very high13 Ų1351.1 Ų51.15%0.04926%0.257CS..  trans-85.967.9-178.5-66.7-173.3178.387.76.7111.3R372 W375 D377 D380 I477R372-R383 PolarHBondContact NH2-O 2.87Å; W375-R383 VanDerWaalsContact CD1-NE 3.34Å; D377-R383 IonicContact OD1-CZ 3.53Å; D377-R383 IonicContact OD1-NH1 3.73Å; D377-R383 PolarHBondContact OD1-NH1 2.77Å; D377-R383 IonicContact OD1-NH2 3.06Å; D377-R383 IonicContact OD2-CZ 2.67Å; D377-R383 IonicContact OD2-NH1 3.32Å; D377-R383 PolarHBondContact OD2-NH1 3.12Å; D377-R383 IonicContact OD2-NH2 2.97Å; D377-R383 PolarHBondContact OD2-NH2 3.48Å; D380-R383 PolarHBondContact O-N 3.07Å; D380-R383 IonicContact OD1-CZ 3.27Å; D380-R383 IonicContact OD1-NH1 3.64Å; D380-R383 PolarHBondContact OD1-NH1 2.85Å; R383-I477 HydrophobicContact CG-CB 3.97Å; R383-I477 HydrophobicContact CG-CD1 4.19Å; R383-I477 HydrophobicContact CG-CG2 4.06Å
384L98.3Very high96.4Very high30 Ų3053.2 Ų53.216%0.15727%0.268CS..  trans-79131.7176.2-56.9180000110.2Y382 E388 L389 E392 L474 A476Y382-L384 VanDerWaalsContact C-N 3.28Å; Y382-L384 PolarHBondContact O-N 3.21Å; L384-E388 HydrophobicContact CB-CB 4.07Å; L384-E388 HydrophobicContact CD2-CB 4.25Å; L384-L389 HydrophobicContact CB-CD2 3.75Å; L384-L389 HydrophobicContact CB-CG 3.75Å; L384-L389 HydrophobicContact CD1-CD2 3.78Å; L384-L389 HydrophobicContact CG-CD2 4.37Å; L384-E392 HydrophobicContact CD1-CG 3.94Å; L384-L474 HydrophobicContact CD1-CD1 4.44Å; L384-A476 HydrophobicContact CD1-CB 4.45Å
385T97.9Very high96.2Very high3 Ų353.5 Ų53.52%0.01827%0.269CS..  trans-62.3161.3166.761.10000110.5E254 K387 E388 L389E254-T385 HydrophobicContact CB-CG2 3.93Å; E254-T385 HydrophobicContact CG-CG2 3.76Å; T385-K387 PolarHBondContact O-N 2.91Å; T385-E388 WeakPolarHBondContact CB-OE2 3.22Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.44Å; T385-E388 PolarHBondContact N-OE2 3.27Å; T385-E388 PolarHBondContact O-N 3.03Å; T385-E388 VanDerWaalsContact O-N 3.14Å; T385-E388 WeakPolarHBondContact OG1-CB 3.41Å; T385-E388 WeakPolarHBondContact OG1-CG 3.17Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 PolarHBondContact OG1-OE2 3.03Å; T385-L389 WeakPolarHBondContact O-CG 3.2Å; T385-L389 PolarHBondContact O-N 3.09Å
386P96.9Very high96.1Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-49.6-42170.7-30.238.7000113.8P215 E254 W256 L389 H390P215-P386 HydrophobicContact CB-CB 3.69Å; P215-P386 HydrophobicContact CB-CG 4.21Å; P215-P386 HydrophobicContact CG-CB 3.34Å; P215-P386 HydrophobicContact CG-CG 4.26Å; E254-P386 WeakPolarHBondContact O-CD 3.35Å; W256-P386 HydrophobicContact CD2-CG 3.54Å; W256-P386 VanDerWaalsContact CE2-CD 3.48Å; W256-P386 HydrophobicContact CE3-CG 3.61Å; W256-P386 HydrophobicContact CG-CG 4.18Å; W256-P386 HydrophobicContact CH2-CG 3.8Å; W256-P386 HydrophobicContact CZ2-CG 3.72Å; W256-P386 HydrophobicContact CZ3-CG 3.76Å; P386-L389 WeakPolarHBondContact O-CB 3.15Å; P386-L389 PolarHBondContact O-N 3.31Å; P386-H390 PolarHBondContact O-CD2 2.8Å; P386-H390 PolarHBondContact O-N 3.13Å; P386-H390 PolarHBondContact O-NE2 3.33Å
387K94.1Very high95.9Very high68 Ų6854.5 Ų54.530%0.29627%0.27SS..Hα-helixtrans-70.8-40.1178.5-66.6-175.5-173.11670112.5M214 P215 E217 T385 L389 H390 C391M214-K387 HydrophobicContact CE-CG 4.39Å; P215-K387 HydrophobicContact CB-CG 4.4Å; P215-K387 WeakPolarHBondContact O-CE 3.43Å; E217-K387 WeakPolarHBondContact OE2-CD 3.4Å; E217-K387 WeakPolarHBondContact OE2-CE 3.39Å; E217-K387 IonicContact OE2-NZ 2.64Å; E217-K387 PolarHBondContact OE2-NZ 3.44Å; T385-K387 PolarHBondContact O-N 2.91Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 3.47Å; K387-H390 WeakPolarHBondContact O-CB 3.27Å; K387-H390 PolarHBondContact O-N 2.95Å; K387-C391 PolarHBondContact O-N 2.88Å; K387-C391 PolarHBondContact O-SG 3.49Å; K387-C391 VanDerWaalsContact O-SG 3.4Å
388E96.9Very high95.7Very high82 Ų8251.3 Ų51.338%0.38325%0.254SS..Hα-helixtrans-63.7-38.7173.4-72.7164.5149.800111.1L384 T385 H390 C391 E392L384-E388 HydrophobicContact CB-CB 4.07Å; L384-E388 HydrophobicContact CD2-CB 4.25Å; T385-E388 WeakPolarHBondContact CB-OE2 3.22Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.44Å; T385-E388 PolarHBondContact N-OE2 3.27Å; T385-E388 PolarHBondContact O-N 3.03Å; T385-E388 VanDerWaalsContact O-N 3.14Å; T385-E388 WeakPolarHBondContact OG1-CB 3.41Å; T385-E388 WeakPolarHBondContact OG1-CG 3.17Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 PolarHBondContact OG1-OE2 3.03Å; E388-H390 VanDerWaalsContact C-N 3.34Å; E388-H390 PolarHBondContact O-N 3.1Å; E388-C391 WeakPolarHBondContact O-CB 3.43Å; E388-C391 PolarHBondContact O-N 2.8Å; E388-E392 WeakPolarHBondContact O-CG 3.4Å; E388-E392 PolarHBondContact O-N 3.42Å
389L97.6Very high95.2Very high0 Ų050.3 Ų50.30%023%0.234CC..Hα-helixtrans-59.7-45.1171.8-71.7170.2000111.3W256 L384 T385 P386 K387 C391 E392 L393 L437 L474 A476 A500W256-L389 HydrophobicContact CH2-CD1 3.52Å; W256-L389 HydrophobicContact CZ2-CD1 4.15Å; L384-L389 HydrophobicContact CB-CD2 3.75Å; L384-L389 HydrophobicContact CB-CG 3.75Å; L384-L389 HydrophobicContact CD1-CD2 3.78Å; L384-L389 HydrophobicContact CG-CD2 4.37Å; T385-L389 WeakPolarHBondContact O-CG 3.2Å; T385-L389 PolarHBondContact O-N 3.09Å; P386-L389 WeakPolarHBondContact O-CB 3.15Å; P386-L389 PolarHBondContact O-N 3.31Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 3.47Å; L389-C391 VanDerWaalsContact C-N 3.3Å; L389-C391 PolarHBondContact O-N 3.49Å; L389-E392 PolarHBondContact O-N 3.19Å; L389-L393 HydrophobicContact CB-CD1 4.45Å; L389-L393 WeakPolarHBondContact O-CB 3.23Å; L389-L393 WeakPolarHBondContact O-CD1 3.47Å; L389-L393 WeakPolarHBondContact O-CG 3.35Å; L389-L393 PolarHBondContact O-N 3.45Å; L389-L437 HydrophobicContact CD2-CD1 3.96Å; L389-L474 HydrophobicContact CD2-CD2 3.73Å; L389-L474 HydrophobicContact CD2-CG 4.39Å; L389-A476 HydrophobicContact CD2-CB 3.58Å; L389-A500 HydrophobicContact CD1-CB 3.66Å
390H92.9Very high94.9Very high7 Ų749.4 Ų49.43%0.03223%0.229CC..Hα-helixtrans-55.8-47.2175.1-61.1166.4000111.3P209 P386 K387 E388 L393 L394 L499 A500P209-H390 HydrophobicContact CG-CB 3.74Å; P386-H390 PolarHBondContact O-CD2 2.8Å; P386-H390 PolarHBondContact O-N 3.13Å; P386-H390 PolarHBondContact O-NE2 3.33Å; K387-H390 WeakPolarHBondContact O-CB 3.27Å; K387-H390 PolarHBondContact O-N 2.95Å; E388-H390 VanDerWaalsContact C-N 3.34Å; E388-H390 PolarHBondContact O-N 3.1Å; H390-L393 PolarHBondContact O-N 3.48Å; H390-L394 WeakPolarHBondContact O-CB 3.33Å; H390-L394 WeakPolarHBondContact O-CG 3.48Å; H390-L394 PolarHBondContact O-N 3.05Å; H390-L499 PolarHBondContact CE1-O 2.92Å; H390-L499 PolarHBondContact NE2-O 3.35Å; H390-A500 PolarHBondContact CD2-O 3.37Å; H390-A500 VanDerWaalsContact CD2-O 3.32Å
391C93.2Very high94.8Very high68 Ų6847.6 Ų47.646%0.45922%0.22SC..Hα-helixtrans-59.5-46.6177.1-69.10000112.5K387 E388 L389 L394 K395K387-C391 PolarHBondContact O-N 2.88Å; K387-C391 PolarHBondContact O-SG 3.49Å; K387-C391 VanDerWaalsContact O-SG 3.4Å; E388-C391 WeakPolarHBondContact O-CB 3.43Å; E388-C391 PolarHBondContact O-N 2.8Å; L389-C391 VanDerWaalsContact C-N 3.3Å; L389-C391 PolarHBondContact O-N 3.49Å; C391-L394 PolarHBondContact O-N 3.06Å; C391-K395 WeakPolarHBondContact O-CG 3.26Å; C391-K395 PolarHBondContact O-N 3.08Å
392E96.9Very high94.8Very high62 Ų6238.9 Ų38.929%0.2919%0.187SC..Hα-helixtrans-66-42.9179-68.1-50.1125.500112L384 E388 L389 L394 K395 M396 L474L384-E392 HydrophobicContact CD1-CG 3.94Å; E388-E392 WeakPolarHBondContact O-CG 3.4Å; E388-E392 PolarHBondContact O-N 3.42Å; L389-E392 PolarHBondContact O-N 3.19Å; E392-L394 VanDerWaalsContact C-N 3.29Å; E392-L394 PolarHBondContact O-N 3.24Å; E392-K395 WeakPolarHBondContact O-CB 3.21Å; E392-K395 PolarHBondContact O-N 2.97Å; E392-K395 IonicContact OE1-NZ 2.68Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 IonicContact OE2-NZ 2.7Å; E392-M396 VanDerWaalsContact O-CG 3.3Å; E392-M396 WeakPolarHBondContact O-CG 3.08Å; E392-M396 PolarHBondContact O-N 3.09Å; E392-L474 HydrophobicContact CB-CD1 4.35Å; E392-L474 HydrophobicContact CB-CD2 4.02Å
393L95.1Very high94.7Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-63.1-36.2177.3-68.3162.4000111.9F210 L389 H390 M396 K397 A398 V401 V435 L474F210-L393 HydrophobicContact CD2-CD1 4.37Å; F210-L393 HydrophobicContact CE1-CB 4.29Å; F210-L393 HydrophobicContact CE2-CB 3.54Å; F210-L393 HydrophobicContact CE2-CD1 4Å; F210-L393 HydrophobicContact CE2-CG 4.42Å; F210-L393 HydrophobicContact CZ-CB 3.34Å; F210-L393 HydrophobicContact CZ-CD1 4.42Å; F210-L393 HydrophobicContact CZ-CG 4.47Å; L389-L393 HydrophobicContact CB-CD1 4.45Å; L389-L393 WeakPolarHBondContact O-CB 3.23Å; L389-L393 WeakPolarHBondContact O-CD1 3.47Å; L389-L393 WeakPolarHBondContact O-CG 3.35Å; L389-L393 PolarHBondContact O-N 3.45Å; H390-L393 PolarHBondContact O-N 3.48Å; L393-M396 PolarHBondContact O-N 2.89Å; L393-K397 PolarHBondContact O-N 3.21Å; L393-A398 HydrophobicContact CB-CB 4.31Å; L393-A398 VanDerWaalsContact O-CB 3.28Å; L393-A398 WeakPolarHBondContact O-CB 3.28Å; L393-A398 PolarHBondContact O-N 3.39Å; L393-V401 HydrophobicContact CD1-CG1 4.17Å; L393-V401 HydrophobicContact CD1-CG2 3.96Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; L393-V401 HydrophobicContact CD2-CG2 3.9Å; L393-V401 HydrophobicContact CG-CG2 4.34Å; L393-V435 HydrophobicContact CD2-CB 4.2Å; L393-V435 HydrophobicContact CD2-CG1 3.71Å; L393-L474 HydrophobicContact CD2-CB 4.44Å; L393-L474 HydrophobicContact CD2-CD2 3.77Å; L393-L474 HydrophobicContact CG-CD2 3.79Å
394L89.9Confident94.4Very high58 Ų5837.8 Ų37.830%0.30418%0.183SC..Hα-helixtrans-68.4-40.7173.5-72.3172.8000112.6Y204 P209 F210 H390 C391 E392 M396 K397Y204-L394 HydrophobicContact CE1-CD1 3.69Å; Y204-L394 WeakPolarHBondContact OH-CD2 3.41Å; P209-L394 HydrophobicContact CB-CD1 4.07Å; P209-L394 HydrophobicContact CB-CD2 4.21Å; P209-L394 HydrophobicContact CB-CG 4.45Å; P209-L394 HydrophobicContact CG-CD1 3.93Å; P209-L394 HydrophobicContact CG-CG 4.36Å; F210-L394 HydrophobicContact CE2-CD2 4.48Å; F210-L394 HydrophobicContact CE2-CG 4.29Å; F210-L394 HydrophobicContact CZ-CD2 4.01Å; F210-L394 HydrophobicContact CZ-CG 4.12Å; H390-L394 WeakPolarHBondContact O-CB 3.33Å; H390-L394 WeakPolarHBondContact O-CG 3.48Å; H390-L394 PolarHBondContact O-N 3.05Å; C391-L394 PolarHBondContact O-N 3.06Å; E392-L394 VanDerWaalsContact C-N 3.29Å; E392-L394 PolarHBondContact O-N 3.24Å; L394-M396 VanDerWaalsContact C-N 3.27Å; L394-M396 PolarHBondContact O-N 3.2Å; L394-K397 WeakPolarHBondContact O-CA 3.5Å; L394-K397 PolarHBondContact O-N 3.41Å
395K92.9Very high93.9Very high145 Ų14537.6 Ų37.663%0.6318%0.181SC*.Hα-helixtrans-61.2-37.9172.8-70.9170.6-171.4171.10111.7C391 E392 K397C391-K395 WeakPolarHBondContact O-CG 3.26Å; C391-K395 PolarHBondContact O-N 3.08Å; E392-K395 WeakPolarHBondContact O-CB 3.21Å; E392-K395 PolarHBondContact O-N 2.97Å; E392-K395 IonicContact OE1-NZ 2.68Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 IonicContact OE2-NZ 2.7Å; K395-K397 PolarHBondContact O-N 3.25Å
396M95.6Very high93.4Very high45 Ų4537.7 Ų37.722%0.22218%0.181CC..THydrogen-bonded Turntrans-70.1-2.7172.8-66.8179.178.400113.3E392 L393 L394 A398 N433 V435 D471 L474E392-M396 VanDerWaalsContact O-CG 3.3Å; E392-M396 WeakPolarHBondContact O-CG 3.08Å; E392-M396 PolarHBondContact O-N 3.09Å; L393-M396 PolarHBondContact O-N 2.89Å; L394-M396 VanDerWaalsContact C-N 3.27Å; L394-M396 PolarHBondContact O-N 3.2Å; M396-A398 PolarHBondContact O-N 2.87Å; M396-N433 PolarHBondContact O-ND2 3.03Å; M396-V435 HydrophobicContact CB-CG2 4.34Å; M396-V435 HydrophobicContact CE-CG1 3.72Å; M396-V435 HydrophobicContact CE-CG2 4.21Å; M396-V435 HydrophobicContact SD-CG1 4.02Å; M396-D471 VanDerWaalsContact CE-O 3.29Å; M396-D471 WeakPolarHBondContact CE-O 3.47Å; M396-L474 HydrophobicContact SD-CB 3.95Å; M396-L474 HydrophobicContact SD-CD1 4.38Å
397K91.2Very high93.1Very high169 Ų16939.8 Ų39.874%0.73519%0.189SC*.THydrogen-bonded Turntrans54.238.3-175.8-53.8179.6-178.3-178.20111.9L393 L394 K395 D399 N433L393-K397 PolarHBondContact O-N 3.21Å; L394-K397 WeakPolarHBondContact O-CA 3.5Å; L394-K397 PolarHBondContact O-N 3.41Å; K395-K397 PolarHBondContact O-N 3.25Å; K397-D399 PolarHBondContact O-N 3.23Å; K397-N433 PolarHBondContact O-ND2 2.84Å
398A92.8Very high93Very high7 Ų739.8 Ų39.86%0.05819%0.192CC..  trans-63.5128176.200000109.6F210 L393 M396 V401 V435F210-A398 HydrophobicContact CE1-CB 3.89Å; F210-A398 HydrophobicContact CZ-CB 4.25Å; L393-A398 HydrophobicContact CB-CB 4.31Å; L393-A398 VanDerWaalsContact O-CB 3.28Å; L393-A398 WeakPolarHBondContact O-CB 3.28Å; L393-A398 PolarHBondContact O-N 3.39Å; M396-A398 PolarHBondContact O-N 2.87Å; A398-V401 HydrophobicContact CB-CG2 4.15Å; A398-V435 HydrophobicContact CB-CB 3.88Å; A398-V435 HydrophobicContact CB-CG2 3.54Å
399D87.6Confident92.8Very high40 Ų4036.3 Ų36.321%0.21418%0.177CC..SBendtrans-103-9.5170.771.9-23.9000112.6K397 Y431 H432 N433K397-D399 PolarHBondContact O-N 3.23Å; D399-Y431 WeakPolarHBondContact OD2-CA 3.47Å; D399-H432 PolarHBondContact OD2-N 3.49Å; D399-H432 IonicContact OD2-ND1 3.65Å; D399-N433 PolarHBondContact N-O 3.39Å; D399-N433 VanDerWaalsContact OD1-CA 3.28Å; D399-N433 WeakPolarHBondContact OD1-CA 3.48Å; D399-N433 PolarHBondContact OD1-N 3.03Å; D399-N433 VanDerWaalsContact OD1-O 3.09Å
400C91.9Very high92.6Very high0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-149.5145.8169.6176.80000109.7Y431 P434 V435 Q503 Y504C400-Y431 HydrophobicContact CB-CD1 3.41Å; C400-Y431 VanDerWaalsContact CB-CD1 3.41Å; C400-Y431 HydrophobicContact CB-CD2 3.94Å; C400-Y431 HydrophobicContact CB-CE1 3.55Å; C400-Y431 HydrophobicContact CB-CE2 4.08Å; C400-Y431 HydrophobicContact CB-CG 3.6Å; C400-P434 HydrophobicContact CB-CB 4.06Å; C400-P434 CarbonylContact O-C 3.55Å; C400-P434 VanDerWaalsContact O-CA 3.31Å; C400-P434 WeakPolarHBondContact O-CA 3.48Å; C400-V435 PolarHBondContact O-N 3.2Å; C400-Q503 VanDerWaalsContact CA-OE1 3.28Å; C400-Y504 WeakPolarHBondContact SG-CD2 3.33Å; C400-Y504 WeakPolarHBondContact SG-CE2 3.27Å
401V95.8Very high92.6Very high0 Ų038 Ų380%019%0.185CC..EExtended strand (participates in β ladder)trans-122.5130173.4-174.70000109.4F210 L393 A398 V435 L437 G501 A502 Q503 Y504F210-V401 HydrophobicContact CD1-CG2 3.54Å; F210-V401 HydrophobicContact CD2-CG2 4.48Å; F210-V401 HydrophobicContact CE1-CG2 3.67Å; F210-V401 HydrophobicContact CG-CG2 3.98Å; F210-V401 HydrophobicContact CZ-CG2 4.23Å; L393-V401 HydrophobicContact CD1-CG1 4.17Å; L393-V401 HydrophobicContact CD1-CG2 3.96Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; L393-V401 HydrophobicContact CD2-CG2 3.9Å; L393-V401 HydrophobicContact CG-CG2 4.34Å; A398-V401 HydrophobicContact CB-CG2 4.15Å; V401-V435 WeakPolarHBondContact CA-O 3.4Å; V401-L437 HydrophobicContact CG1-CB 3.91Å; V401-G501 WeakPolarHBondContact CB-O 3.33Å; V401-A502 HydrophobicContact CG1-CB 4.45Å; V401-Q503 PolarHBondContact O-N 2.9Å; V401-Y504 PolarHBondContact O-N 2.94Å
402F97.2Very high92.6Very high2 Ų236.3 Ų36.31%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-124.9142173.370.7-77.4000109.8M418 T421 R422 L425 P434 V435 L436 L437 Y504 I506F402-M418 WeakPolarHBondContact CE2-O 3.42Å; F402-T421 HydrophobicContact CB-CG2 4.44Å; F402-T421 HydrophobicContact CD2-CG2 3.48Å; F402-T421 VanDerWaalsContact CD2-CG2 3.48Å; F402-T421 HydrophobicContact CE2-CG2 3.82Å; F402-T421 HydrophobicContact CG-CG2 4.03Å; F402-R422 HydrophobicContact CE1-CB 4.13Å; F402-R422 HydrophobicContact CE1-CG 4.29Å; F402-R422 HydrophobicContact CZ-CB 3.77Å; F402-R422 HydrophobicContact CZ-CG 4.35Å; F402-L425 HydrophobicContact CB-CD1 3.97Å; F402-L425 HydrophobicContact CD1-CD1 3.62Å; F402-L425 HydrophobicContact CE1-CD1 4.26Å; F402-L425 HydrophobicContact CG-CD1 3.86Å; F402-P434 HydrophobicContact CD1-CB 4.37Å; F402-P434 HydrophobicContact CE1-CB 4.39Å; F402-P434 WeakPolarHBondContact CE1-O 3.45Å; F402-V435 VanDerWaalsContact CD1-O 3.28Å; F402-V435 WeakPolarHBondContact CD1-O 3.27Å; F402-V435 PolarHBondContact N-O 3.22Å; F402-L436 HydrophobicContact CD2-CD1 3.95Å; F402-L436 HydrophobicContact CE1-CB 3.86Å; F402-L436 HydrophobicContact CE2-CB 4.02Å; F402-L436 HydrophobicContact CE2-CD1 3.56Å; F402-L436 HydrophobicContact CE2-CG 4.28Å; F402-L436 HydrophobicContact CZ-CB 3.52Å; F402-L436 HydrophobicContact CZ-CD1 4.01Å; F402-L436 HydrophobicContact CZ-CG 4.25Å; F402-L436 CarbonylContact O-C 3.53Å; F402-L436 WeakPolarHBondContact O-CA 3.49Å; F402-L437 PolarHBondContact O-N 3.22Å; F402-Y504 CarbonylContact C-O 3.53Å; F402-Y504 VanDerWaalsContact CA-O 3.24Å; F402-Y504 WeakPolarHBondContact CA-O 3.2Å; F402-I506 HydrophobicContact CD2-CD1 3.96Å; F402-I506 HydrophobicContact CE2-CD1 4.18Å
403A97Very high92.4Very high0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-121.5148.4-173.400000112.3L437 R497 A502 Y504 Y505 I506A403-L437 HydrophobicContact CB-CB 4.18Å; A403-R497 HydrophobicContact CB-CB 3.93Å; A403-R497 HydrophobicContact CB-CG 3.46Å; A403-R497 VanDerWaalsContact CB-CG 3.46Å; A403-A502 HydrophobicContact CB-CB 3.8Å; A403-Y504 PolarHBondContact N-O 3.44Å; A403-Y505 HydrophobicContact CB-CD2 4.36Å; A403-I506 PolarHBondContact O-N 2.9Å
404F91.3Very high92.3Very high8 Ų834.7 Ų34.74%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-126.4121.4167.8-171.5-130.2000109.5L406 H414 M418 L437 I506F404-L406 HydrophobicContact CD1-CD1 4.15Å; F404-L406 HydrophobicContact CD1-CD2 3.46Å; F404-L406 VanDerWaalsContact CD1-CD2 3.46Å; F404-L406 HydrophobicContact CD1-CG 3.69Å; F404-L406 HydrophobicContact CE1-CD2 3.25Å; F404-L406 HydrophobicContact CE1-CG 4.02Å; F404-L406 HydrophobicContact CZ-CD2 4.24Å; F404-H414 HydrophobicContact CE1-CB 3.92Å; F404-H414 AromaticContact CE1-CD2 3.94Å; F404-H414 AromaticContact CE1-CG 3.91Å; F404-H414 AromaticContact CZ-CD2 3.83Å; F404-M418 HydrophobicContact CB-CG 4.13Å; F404-M418 HydrophobicContact CB-SD 3.92Å; F404-M418 HydrophobicContact CD1-CE 4.07Å; F404-M418 HydrophobicContact CD1-CG 4.12Å; F404-M418 HydrophobicContact CD1-SD 3.65Å; F404-M418 HydrophobicContact CG-CG 4.27Å; F404-M418 HydrophobicContact CG-SD 4.14Å; F404-L437 PolarHBondContact N-O 3.49Å; F404-I506 HydrophobicContact CB-CB 4.43Å; F404-I506 HydrophobicContact CB-CD1 4.46Å; F404-I506 HydrophobicContact CD2-CB 3.65Å; F404-I506 HydrophobicContact CD2-CG2 3.56Å; F404-I506 WeakPolarHBondContact CD2-O 3.33Å; F404-I506 HydrophobicContact CE2-CB 4.35Å; F404-I506 HydrophobicContact CE2-CG2 3.77Å; F404-I506 HydrophobicContact CG-CB 4.41Å
405Q87.9Confident92.5Very high26 Ų2632.2 Ų32.212%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-77.5125.8176.2165.660.662.100110H493 Y505Q405-H493 HydrophobicContact CG-CB 4.15Å; Q405-H493 WeakPolarHBondContact CG-ND1 3.05Å; Q405-Y505 HydrophobicContact CB-CE2 4.25Å; Q405-Y505 WeakPolarHBondContact CB-OH 3.41Å
406L86.5Confident92.5Very high4 Ų427.1 Ų27.12%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-122.7116.5-178.7-71.1168.8000111.9F404 I410 L438 P440 L441 H459F404-L406 HydrophobicContact CD1-CD1 4.15Å; F404-L406 HydrophobicContact CD1-CD2 3.46Å; F404-L406 VanDerWaalsContact CD1-CD2 3.46Å; F404-L406 HydrophobicContact CD1-CG 3.69Å; F404-L406 HydrophobicContact CE1-CD2 3.25Å; F404-L406 HydrophobicContact CE1-CG 4.02Å; F404-L406 HydrophobicContact CZ-CD2 4.24Å; L406-I410 HydrophobicContact CD1-CD1 3.65Å; L406-I410 HydrophobicContact CD1-CG1 3.65Å; L406-I410 HydrophobicContact CD2-CG1 4.12Å; L406-L438 HydrophobicContact CD1-CD1 3.27Å; L406-L438 HydrophobicContact CD1-CG 4.08Å; L406-P440 HydrophobicContact CB-CB 4.3Å; L406-P440 CarbonylContact O-C 3.53Å; L406-P440 WeakPolarHBondContact O-CA 3.37Å; L406-L441 PolarHBondContact O-N 3.4Å; L406-H459 WeakPolarHBondContact CD1-NE2 3.09Å
407R90.8Very high92.4Very high45 Ų4525.4 Ų25.417%0.1712%0.123CC..SBendtrans-99.1-33162.4-166-164.2100.3-119.110.3111.3T445 D449 R455 M482R407-T445 HydrophobicContact CG-CG2 4.35Å; R407-D449 WeakPolarHBondContact CD-OD2 3.39Å; R407-D449 IonicContact CZ-OD1 3.71Å; R407-D449 IonicContact CZ-OD2 3.29Å; R407-D449 IonicContact NE-OD1 3.16Å; R407-D449 PolarHBondContact NE-OD1 3.39Å; R407-D449 IonicContact NE-OD2 3.02Å; R407-D449 PolarHBondContact NE-OD2 3.4Å; R407-D449 IonicContact NH2-OD1 3.86Å; R407-D449 PolarHBondContact NH2-OD1 2.85Å; R407-D449 IonicContact NH2-OD2 2.79Å; R407-R455 WeakPolarHBondContact O-CD 3.39Å; R407-R455 PolarHBondContact O-NE 2.93Å; R407-M482 HydrophobicContact CG-SD 4.16Å
408N91.2Very high92.6Very high67 Ų6717.4 Ų17.436%0.3589%0.088SC..SBendtrans-97.1160.2-177.3-62.7-38.5000111
409P94.1Very high92.7Very high9 Ų920.1 Ų20.16%0.05810%0.104CC..PPolyproline II helixtrans-56.8155.4167.8-23.233.5000113.5H414 V450 Q458 L602P409-H414 PolarHBondContact O-ND1 3.47Å; P409-V450 HydrophobicContact CG-CB 4.07Å; P409-V450 HydrophobicContact CG-CG1 4.24Å; P409-V450 HydrophobicContact CG-CG2 3.72Å; P409-Q458 HydrophobicContact CB-CG 4.29Å; P409-L602 HydrophobicContact CB-CD1 3.59Å; P409-L602 HydrophobicContact CB-CD2 3.89Å; P409-L602 HydrophobicContact CB-CG 4.32Å; P409-L602 HydrophobicContact CG-CD1 3.92Å; P409-L602 HydrophobicContact CG-CD2 3.55Å; P409-L602 HydrophobicContact CG-CG 4.39Å
410I93.1Very high93Very high1 Ų121.2 Ų21.21%0.00511%0.108CC..PPolyproline II helixtrans-86.3120-179.2-60.4168.6000109.7L406 H414 M418 L438 Q458 H459 L468 M594L406-I410 HydrophobicContact CD1-CD1 3.65Å; L406-I410 HydrophobicContact CD1-CG1 3.65Å; L406-I410 HydrophobicContact CD2-CG1 4.12Å; I410-H414 HydrophobicContact CG2-CB 4Å; I410-M418 HydrophobicContact CD1-CE 4.41Å; I410-M418 HydrophobicContact CG2-CE 4.06Å; I410-L438 HydrophobicContact CD1-CD1 3.79Å; I410-L438 HydrophobicContact CD1-CD2 3.93Å; I410-L438 HydrophobicContact CD1-CG 4.35Å; I410-Q458 PolarHBondContact O-NE2 3.3Å; I410-H459 HydrophobicContact CD1-CB 4.36Å; I410-L468 HydrophobicContact CD1-CD1 4.4Å; I410-M594 WeakPolarHBondContact O-CE 3.29Å
411H92.8Very high93.2Very high43 Ų4321.4 Ų21.420%0.19911%0.109CC..PPolyproline II helixtrans-102169.4162.15965.2000109.9G413 H414 A415 F593 M594H411-G413 WeakPolarHBondContact ND1-CA 3.35Å; H411-G413 PolarHBondContact ND1-N 3.23Å; H411-G413 VanDerWaalsContact ND1-N 3.15Å; H411-G413 PolarHBondContact O-N 3.32Å; H411-H414 AromaticContact CD2-CE1 3.76Å; H411-H414 AromaticContact CD2-ND1 3.89Å; H411-H414 AromaticContact CE1-CD2 3.78Å; H411-H414 AromaticContact CE1-CE1 3.94Å; H411-H414 AromaticContact CE1-CG 3.89Å; H411-H414 AromaticContact CE1-NE2 3.83Å; H411-H414 PolarHBondContact ND1-N 2.91Å; H411-H414 AromaticContact NE2-CD2 3.96Å; H411-H414 AromaticContact NE2-CE1 3.42Å; H411-H414 PolarHBondContact NE2-CE1 3Å; H411-H414 AromaticContact NE2-ND1 3.8Å; H411-H414 AromaticContact NE2-NE2 3.53Å; H411-H414 WeakPolarHBondContact O-CB 3.44Å; H411-H414 PolarHBondContact O-N 2.97Å; H411-A415 PolarHBondContact O-N 2.85Å; H411-F593 HydrophobicContact CB-CE1 4.15Å; H411-F593 HydrophobicContact CB-CE2 4.29Å; H411-F593 HydrophobicContact CB-CZ 3.98Å; H411-M594 HydrophobicContact CB-CE 3.87Å
412N94.2Very high93.2Very high32 Ų3223.8 Ų23.817%0.17112%0.118CC..Hα-helixtrans-64.3-21-172.8-68-7.5000113.2A415 L416 M560 G592 F593 A595N412-A415 PolarHBondContact O-N 3.48Å; N412-L416 WeakPolarHBondContact O-CB 3.28Å; N412-L416 PolarHBondContact O-N 3.03Å; N412-M560 HydrophobicContact CB-CB 4Å; N412-M560 HydrophobicContact CB-CG 3.66Å; N412-G592 WeakPolarHBondContact CB-O 3.31Å; N412-G592 PolarHBondContact ND2-O 2.82Å; N412-F593 WeakPolarHBondContact CB-O 3.18Å; N412-F593 PolarHBondContact N-O 2.81Å; N412-A595 PolarHBondContact OD1-N 3.3Å
413G92.1Very high93.2Very high1 Ų127.8 Ų27.81%0.0114%0.137CC..Hα-helixtrans-64-39.2168.500000113.9H411 L417H411-G413 WeakPolarHBondContact ND1-CA 3.35Å; H411-G413 PolarHBondContact ND1-N 3.23Å; H411-G413 VanDerWaalsContact ND1-N 3.15Å; H411-G413 PolarHBondContact O-N 3.32Å; G413-L417 PolarHBondContact O-N 3.16Å
414H92.5Very high93.1Very high27 Ų2730.1 Ų30.113%0.12515%0.148CC..Hα-helixtrans-66.5-43.5170.9-65.8150.5000110.4F404 P409 I410 H411 L416 L417 M418F404-H414 HydrophobicContact CE1-CB 3.92Å; F404-H414 AromaticContact CE1-CD2 3.94Å; F404-H414 AromaticContact CE1-CG 3.91Å; F404-H414 AromaticContact CZ-CD2 3.83Å; P409-H414 PolarHBondContact O-ND1 3.47Å; I410-H414 HydrophobicContact CG2-CB 4Å; H411-H414 AromaticContact CD2-CE1 3.76Å; H411-H414 AromaticContact CD2-ND1 3.89Å; H411-H414 AromaticContact CE1-CD2 3.78Å; H411-H414 AromaticContact CE1-CE1 3.94Å; H411-H414 AromaticContact CE1-CG 3.89Å; H411-H414 AromaticContact CE1-NE2 3.83Å; H411-H414 PolarHBondContact ND1-N 2.91Å; H411-H414 AromaticContact NE2-CD2 3.96Å; H411-H414 AromaticContact NE2-CE1 3.42Å; H411-H414 PolarHBondContact NE2-CE1 3Å; H411-H414 AromaticContact NE2-ND1 3.8Å; H411-H414 AromaticContact NE2-NE2 3.53Å; H411-H414 WeakPolarHBondContact O-CB 3.44Å; H411-H414 PolarHBondContact O-N 2.97Å; H414-L416 VanDerWaalsContact C-N 3.34Å; H414-L416 PolarHBondContact O-N 3.17Å; H414-L417 WeakPolarHBondContact O-CB 3.44Å; H414-L417 PolarHBondContact O-N 2.6Å; H414-M418 HydrophobicContact CB-CE 4.08Å; H414-M418 WeakPolarHBondContact O-CE 3.5Å; H414-M418 PolarHBondContact O-N 3.15Å; H414-M418 VanDerWaalsContact O-N 3.14Å
415A94.2Very high93.2Very high5 Ų529.8 Ų29.84%0.04115%0.146CC..Hα-helixtrans-58.4-45.7177.400000112.1H411 N412 L417 M418 T419 V467 L468H411-A415 PolarHBondContact O-N 2.85Å; N412-A415 PolarHBondContact O-N 3.48Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 3.17Å; A415-M418 PolarHBondContact O-N 2.8Å; A415-M418 VanDerWaalsContact O-N 3.1Å; A415-T419 WeakPolarHBondContact O-CG2 3.48Å; A415-T419 PolarHBondContact O-N 3.42Å; A415-T419 PolarHBondContact O-OG1 3.26Å; A415-T419 VanDerWaalsContact O-OG1 3.07Å; A415-V467 HydrophobicContact CB-CG1 3.31Å; A415-L468 HydrophobicContact CB-CD2 4.27Å
416L93.7Very high93.6Very high39 Ų3930.9 Ų30.920%0.20415%0.153CC..Hα-helixtrans-55.7-41.8176.6179.563.4000112.3N412 H414 T419 E420 A551 F562N412-L416 WeakPolarHBondContact O-CB 3.28Å; N412-L416 PolarHBondContact O-N 3.03Å; H414-L416 VanDerWaalsContact C-N 3.34Å; H414-L416 PolarHBondContact O-N 3.17Å; L416-T419 WeakPolarHBondContact CA-OG1 3.46Å; L416-T419 PolarHBondContact O-OG1 3.22Å; L416-E420 WeakPolarHBondContact O-CB 3.42Å; L416-E420 PolarHBondContact O-N 2.94Å; L416-A551 HydrophobicContact CD2-CB 4.49Å; L416-F562 HydrophobicContact CD1-CE2 4.29Å; L416-F562 HydrophobicContact CD1-CZ 4.44Å; L416-F562 HydrophobicContact CD2-CD1 4.22Å; L416-F562 HydrophobicContact CD2-CD2 4.16Å; L416-F562 HydrophobicContact CD2-CE1 4.08Å; L416-F562 HydrophobicContact CD2-CE2 4.04Å; L416-F562 HydrophobicContact CD2-CG 4.26Å; L416-F562 HydrophobicContact CD2-CZ 4.01Å; L416-F562 HydrophobicContact CG-CE1 4.15Å; L416-F562 HydrophobicContact CG-CE2 3.99Å; L416-F562 HydrophobicContact CG-CZ 3.74Å
417L92.2Very high94Very high9 Ų937 Ų375%0.04718%0.181CC..Hα-helixtrans-65.6-41.3177.3-75.8159.3000112.6G413 H414 A415 T421 F548 R549 F562G413-L417 PolarHBondContact O-N 3.16Å; H414-L417 WeakPolarHBondContact O-CB 3.44Å; H414-L417 PolarHBondContact O-N 2.6Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 3.17Å; L417-T421 VanDerWaalsContact O-CB 3.28Å; L417-T421 WeakPolarHBondContact O-CB 3.47Å; L417-T421 PolarHBondContact O-N 3.13Å; L417-T421 PolarHBondContact O-OG1 3.22Å; L417-F548 HydrophobicContact CD1-CD2 3.43Å; L417-F548 VanDerWaalsContact CD1-CD2 3.43Å; L417-F548 HydrophobicContact CD1-CE2 2.98Å; L417-F548 HydrophobicContact CD1-CG 4.39Å; L417-F548 HydrophobicContact CD1-CZ 3.6Å; L417-F548 HydrophobicContact CD2-CD2 4.4Å; L417-F548 HydrophobicContact CG-CE2 4.38Å; L417-R549 HydrophobicContact CD2-CB 4.12Å; L417-F562 HydrophobicContact CD2-CE1 3.67Å; L417-F562 HydrophobicContact CD2-CZ 4.35Å; L417-F562 HydrophobicContact CG-CE1 4.1Å
418M95.5Very high93.9Very high1 Ų141.9 Ų41.91%0.00520%0.204CC..Hα-helixtrans-68.6-43.2179.2-69.1-177.2-79.600111.4F402 F404 I410 H414 A415 T421 R422 L436 L438 L468 I506F402-M418 WeakPolarHBondContact CE2-O 3.42Å; F404-M418 HydrophobicContact CB-CG 4.13Å; F404-M418 HydrophobicContact CB-SD 3.92Å; F404-M418 HydrophobicContact CD1-CE 4.07Å; F404-M418 HydrophobicContact CD1-CG 4.12Å; F404-M418 HydrophobicContact CD1-SD 3.65Å; F404-M418 HydrophobicContact CG-CG 4.27Å; F404-M418 HydrophobicContact CG-SD 4.14Å; I410-M418 HydrophobicContact CD1-CE 4.41Å; I410-M418 HydrophobicContact CG2-CE 4.06Å; H414-M418 HydrophobicContact CB-CE 4.08Å; H414-M418 WeakPolarHBondContact O-CE 3.5Å; H414-M418 PolarHBondContact O-N 3.15Å; H414-M418 VanDerWaalsContact O-N 3.14Å; A415-M418 PolarHBondContact O-N 2.8Å; A415-M418 VanDerWaalsContact O-N 3.1Å; M418-T421 PolarHBondContact O-N 2.81Å; M418-R422 PolarHBondContact O-N 2.87Å; M418-R422 VanDerWaalsContact O-N 3.1Å; M418-L436 HydrophobicContact CB-CD1 4.48Å; M418-L436 HydrophobicContact CB-CD2 4.01Å; M418-L436 HydrophobicContact CG-CD1 4.19Å; M418-L436 HydrophobicContact CG-CD2 4.23Å; M418-L436 HydrophobicContact SD-CD1 4Å; M418-L436 HydrophobicContact SD-CD2 3.68Å; M418-L436 HydrophobicContact SD-CG 4.46Å; M418-L438 HydrophobicContact CE-CD1 4.19Å; M418-L438 HydrophobicContact SD-CD1 3.65Å; M418-L468 HydrophobicContact CB-CD2 3.99Å; M418-L468 HydrophobicContact CE-CD1 3.79Å; M418-L468 HydrophobicContact CE-CD2 4.14Å; M418-L468 HydrophobicContact CE-CG 4.5Å; M418-L468 HydrophobicContact SD-CD1 4.22Å; M418-I506 HydrophobicContact CG-CD1 4.14Å
419T95.5Very high93.7Very high64 Ų6442.7 Ų42.739%0.39321%0.205SC..Hα-helixtrans-71.4-41.5179.255.20000112.4A415 L416 T421 R422 Q423 L468A415-T419 WeakPolarHBondContact O-CG2 3.48Å; A415-T419 PolarHBondContact O-N 3.42Å; A415-T419 PolarHBondContact O-OG1 3.26Å; A415-T419 VanDerWaalsContact O-OG1 3.07Å; L416-T419 WeakPolarHBondContact CA-OG1 3.46Å; L416-T419 PolarHBondContact O-OG1 3.22Å; T419-T421 VanDerWaalsContact C-N 3.34Å; T419-T421 PolarHBondContact O-N 2.83Å; T419-R422 WeakPolarHBondContact O-CB 3.49Å; T419-R422 PolarHBondContact O-N 3.28Å; T419-Q423 PolarHBondContact O-N 2.77Å; T419-L468 HydrophobicContact CG2-CD2 4.1Å
420E94Very high93.3Very high62 Ų6244 Ų4429%0.2922%0.221SC..Hα-helixtrans-60-44.1173.1176.582.8-167.800111.2L416 R422 Q423 Q424 R549 F562L416-E420 WeakPolarHBondContact O-CB 3.42Å; L416-E420 PolarHBondContact O-N 2.94Å; E420-R422 VanDerWaalsContact C-N 3.33Å; E420-R422 PolarHBondContact O-N 2.98Å; E420-Q423 PolarHBondContact O-N 2.77Å; E420-Q424 WeakPolarHBondContact O-CG 3.37Å; E420-Q424 PolarHBondContact O-N 3.5Å; E420-Q424 PolarHBondContact OE1-NE2 3.16Å; E420-R549 IonicContact OE1-NH1 2.71Å; E420-R549 PolarHBondContact OE1-NH1 3.49Å; E420-F562 HydrophobicContact CB-CE2 4.26Å; E420-F562 HydrophobicContact CB-CZ 3.94Å; E420-F562 HydrophobicContact CG-CE2 3.93Å; E420-F562 HydrophobicContact CG-CZ 3.83Å
421T95.4Very high93Very high5 Ų544.9 Ų44.93%0.03122%0.224CC..Hα-helixtrans-59-46.4176.8-65.80000110.9F402 L417 M418 T419 Q423 Q424 L425 I506 I546F402-T421 HydrophobicContact CB-CG2 4.44Å; F402-T421 HydrophobicContact CD2-CG2 3.48Å; F402-T421 VanDerWaalsContact CD2-CG2 3.48Å; F402-T421 HydrophobicContact CE2-CG2 3.82Å; F402-T421 HydrophobicContact CG-CG2 4.03Å; L417-T421 VanDerWaalsContact O-CB 3.28Å; L417-T421 WeakPolarHBondContact O-CB 3.47Å; L417-T421 PolarHBondContact O-N 3.13Å; L417-T421 PolarHBondContact O-OG1 3.22Å; M418-T421 PolarHBondContact O-N 2.81Å; T419-T421 VanDerWaalsContact C-N 3.34Å; T419-T421 PolarHBondContact O-N 2.83Å; T421-Q423 VanDerWaalsContact C-N 3.31Å; T421-Q423 PolarHBondContact O-N 2.83Å; T421-Q424 PolarHBondContact O-N 3.42Å; T421-L425 HydrophobicContact CG2-CD1 4.11Å; T421-L425 WeakPolarHBondContact O-CG 3.48Å; T421-L425 PolarHBondContact O-N 3.38Å; T421-I506 HydrophobicContact CG2-CD1 3.97Å; T421-I506 HydrophobicContact CG2-CG1 4.16Å; T421-I506 VanDerWaalsContact OG1-CD1 3.31Å; T421-I506 WeakPolarHBondContact OG1-CD1 3.49Å; T421-I546 HydrophobicContact CG2-CD1 3.32Å
422R97Very high92.9Very high50 Ų5050.6 Ų50.619%0.18925%0.25CS..Hα-helixtrans-57.7-45.8175.7-170.4177.6152.575.82.4111.3F402 M418 T419 E420 Q424 L425 L426 P434F402-R422 HydrophobicContact CE1-CB 4.13Å; F402-R422 HydrophobicContact CE1-CG 4.29Å; F402-R422 HydrophobicContact CZ-CB 3.77Å; F402-R422 HydrophobicContact CZ-CG 4.35Å; M418-R422 PolarHBondContact O-N 2.87Å; M418-R422 VanDerWaalsContact O-N 3.1Å; T419-R422 WeakPolarHBondContact O-CB 3.49Å; T419-R422 PolarHBondContact O-N 3.28Å; E420-R422 VanDerWaalsContact C-N 3.33Å; E420-R422 PolarHBondContact O-N 2.98Å; R422-Q424 VanDerWaalsContact C-N 3.33Å; R422-Q424 PolarHBondContact O-N 3.23Å; R422-L425 WeakPolarHBondContact O-CB 3.49Å; R422-L425 PolarHBondContact O-N 3.07Å; R422-L426 HydrophobicContact CG-CD1 4.35Å; R422-L426 WeakPolarHBondContact O-CG 3.32Å; R422-L426 PolarHBondContact O-N 3.44Å; R422-P434 HydrophobicContact CG-CG 3.96Å; R422-P434 PolarHBondContact NH1-O 3.35Å
423Q96.2Very high92.9Very high85 Ų8550.8 Ų50.840%0.39725%0.251SS..Hα-helixtrans-60.4-43.3179.3-165.963.619.800111.8T419 E420 T421 L425 L426 E427T419-Q423 PolarHBondContact O-N 2.77Å; E420-Q423 PolarHBondContact O-N 2.77Å; T421-Q423 VanDerWaalsContact C-N 3.31Å; T421-Q423 PolarHBondContact O-N 2.83Å; Q423-L425 VanDerWaalsContact C-N 3.32Å; Q423-L425 PolarHBondContact O-N 2.76Å; Q423-L426 PolarHBondContact O-N 2.99Å; Q423-E427 HydrophobicContact CG-CG 4.25Å; Q423-E427 PolarHBondContact NE2-OE1 3.38Å; Q423-E427 WeakPolarHBondContact O-CG 3.15Å; Q423-E427 PolarHBondContact O-N 3.31Å
424Q94.6Very high93.1Very high49 Ų4950.8 Ų50.823%0.22925%0.251CS..Hα-helixtrans-64.4-36.7177.4-68.1-179.227.500112.2E420 T421 R422 L426 K428 H429E420-Q424 WeakPolarHBondContact O-CG 3.37Å; E420-Q424 PolarHBondContact O-N 3.5Å; E420-Q424 PolarHBondContact OE1-NE2 3.16Å; T421-Q424 PolarHBondContact O-N 3.42Å; R422-Q424 VanDerWaalsContact C-N 3.33Å; R422-Q424 PolarHBondContact O-N 3.23Å; Q424-L426 VanDerWaalsContact C-N 3.35Å; Q424-K428 HydrophobicContact CB-CD 4.48Å; Q424-K428 HydrophobicContact CG-CD 4.42Å; Q424-K428 WeakPolarHBondContact O-CA 3.38Å; Q424-K428 VanDerWaalsContact O-CB 3.31Å; Q424-K428 WeakPolarHBondContact O-CB 3.42Å; Q424-K428 PolarHBondContact O-N 3.23Å; Q424-H429 PolarHBondContact O-CD2 2.85Å; Q424-H429 PolarHBondContact O-N 3.36Å
425L94.3Very high93.4Very high2 Ų249.5 Ų49.51%0.0125%0.245CC..Hα-helixtrans-65-38.7175.1-68.9171.3000112.1F402 T421 R422 Q423 H429 G430 Y431 P434 Y504F402-L425 HydrophobicContact CB-CD1 3.97Å; F402-L425 HydrophobicContact CD1-CD1 3.62Å; F402-L425 HydrophobicContact CE1-CD1 4.26Å; F402-L425 HydrophobicContact CG-CD1 3.86Å; T421-L425 HydrophobicContact CG2-CD1 4.11Å; T421-L425 WeakPolarHBondContact O-CG 3.48Å; T421-L425 PolarHBondContact O-N 3.38Å; R422-L425 WeakPolarHBondContact O-CB 3.49Å; R422-L425 PolarHBondContact O-N 3.07Å; Q423-L425 VanDerWaalsContact C-N 3.32Å; Q423-L425 PolarHBondContact O-N 2.76Å; L425-H429 HydrophobicContact CD2-CB 4.49Å; L425-H429 CarbonylContact O-C 3.56Å; L425-H429 WeakPolarHBondContact O-CB 3.49Å; L425-G430 PolarHBondContact O-N 3.11Å; L425-Y431 HydrophobicContact CB-CD2 4.02Å; L425-Y431 HydrophobicContact CD2-CD2 3.9Å; L425-Y431 HydrophobicContact CD2-CE2 3.83Å; L425-Y431 WeakPolarHBondContact O-CD2 3.33Å; L425-Y431 PolarHBondContact O-N 3.41Å; L425-Y431 VanDerWaalsContact O-N 3.1Å; L425-P434 HydrophobicContact CB-CB 3.82Å; L425-P434 HydrophobicContact CB-CG 3.87Å; L425-P434 HydrophobicContact CD1-CB 3.78Å; L425-P434 HydrophobicContact CG-CB 4.44Å; L425-Y504 HydrophobicContact CD2-CD1 3.89Å; L425-Y504 HydrophobicContact CD2-CD2 3.72Å; L425-Y504 HydrophobicContact CD2-CE1 3.65Å; L425-Y504 HydrophobicContact CD2-CE2 3.51Å; L425-Y504 HydrophobicContact CD2-CG 3.93Å; L425-Y504 VanDerWaalsContact CD2-CZ 3.48Å
426L95.1Very high93.6Very high48 Ų4849.4 Ų49.425%0.25124%0.244SC..Hα-helixtrans-66.9-57.1174.9-68167.3000111.4R422 Q423 Q424 G430 Y431 P434R422-L426 HydrophobicContact CG-CD1 4.35Å; R422-L426 WeakPolarHBondContact O-CG 3.32Å; R422-L426 PolarHBondContact O-N 3.44Å; Q423-L426 PolarHBondContact O-N 2.99Å; Q424-L426 VanDerWaalsContact C-N 3.35Å; L426-G430 WeakPolarHBondContact O-CA 3.43Å; L426-G430 PolarHBondContact O-N 3.22Å; L426-Y431 WeakPolarHBondContact CD2-O 3.22Å; L426-P434 HydrophobicContact CD2-CG 3.86Å; L426-P434 HydrophobicContact CG-CG 3.9Å
427E95.3Very high93.8Very high133 Ų13347.6 Ų47.662%0.62123%0.234SC*.Hα-helixtrans-80.4-43.7-168.1-65.2-179.5161.300113.7Q423Q423-E427 HydrophobicContact CG-CG 4.25Å; Q423-E427 PolarHBondContact NE2-OE1 3.38Å; Q423-E427 WeakPolarHBondContact O-CG 3.15Å; Q423-E427 PolarHBondContact O-N 3.31Å
428K90Very high94.1Very high148 Ų14847.1 Ų47.164%0.64323%0.232SC*.THydrogen-bonded Turntrans-95.2-31.4-171.3-59.4-177.6179.9175.70112.7Q424Q424-K428 HydrophobicContact CB-CD 4.48Å; Q424-K428 HydrophobicContact CG-CD 4.42Å; Q424-K428 WeakPolarHBondContact O-CA 3.38Å; Q424-K428 VanDerWaalsContact O-CB 3.31Å; Q424-K428 WeakPolarHBondContact O-CB 3.42Å; Q424-K428 PolarHBondContact O-N 3.23Å
429H85.6Confident94.2Very high84 Ų8447.1 Ų47.139%0.38923%0.232SC..THydrogen-bonded Turntrans-102.6-10.4-177.7-63.8-72.4000113.7Q424 L425 Y431Q424-H429 PolarHBondContact O-CD2 2.85Å; Q424-H429 PolarHBondContact O-N 3.36Å; L425-H429 HydrophobicContact CD2-CB 4.49Å; L425-H429 CarbonylContact O-C 3.56Å; L425-H429 WeakPolarHBondContact O-CB 3.49Å; H429-Y431 VanDerWaalsContact C-N 3.32Å; H429-Y431 HydrophobicContact CB-CD2 3.64Å; H429-Y431 HydrophobicContact CB-CE2 3.63Å; H429-Y431 PolarHBondContact O-N 2.76Å
430G85.3Confident94.2Very high37 Ų3744 Ų4438%0.38121%0.213SC..  trans66.132.9175.500000113.3L425 L426L425-G430 PolarHBondContact O-N 3.11Å; L426-G430 WeakPolarHBondContact O-CA 3.43Å; L426-G430 PolarHBondContact O-N 3.22Å
431Y88.6Confident94.3Very high19 Ų1941.1 Ų41.18%0.07520%0.199CC..  trans-78.9149.9164-64.9-73.2000109.4D399 C400 L425 L426 H429 Y504D399-Y431 WeakPolarHBondContact OD2-CA 3.47Å; C400-Y431 HydrophobicContact CB-CD1 3.41Å; C400-Y431 VanDerWaalsContact CB-CD1 3.41Å; C400-Y431 HydrophobicContact CB-CD2 3.94Å; C400-Y431 HydrophobicContact CB-CE1 3.55Å; C400-Y431 HydrophobicContact CB-CE2 4.08Å; C400-Y431 HydrophobicContact CB-CG 3.6Å; L425-Y431 HydrophobicContact CB-CD2 4.02Å; L425-Y431 HydrophobicContact CD2-CD2 3.9Å; L425-Y431 HydrophobicContact CD2-CE2 3.83Å; L425-Y431 WeakPolarHBondContact O-CD2 3.33Å; L425-Y431 PolarHBondContact O-N 3.41Å; L425-Y431 VanDerWaalsContact O-N 3.1Å; L426-Y431 WeakPolarHBondContact CD2-O 3.22Å; H429-Y431 VanDerWaalsContact C-N 3.32Å; H429-Y431 HydrophobicContact CB-CD2 3.64Å; H429-Y431 HydrophobicContact CB-CE2 3.63Å; H429-Y431 PolarHBondContact O-N 2.76Å; Y431-Y504 AromaticContact CE2-CE2 3.78Å; Y431-Y504 HydrophobicContact CE2-CE2 3.78Å; Y431-Y504 AromaticContact CE2-CZ 3.94Å; Y431-Y504 WeakPolarHBondContact CE2-OH 3.48Å; Y431-Y504 AromaticContact CZ-CE2 4Å; Y431-Y504 PolarHBondContact OH-OH 3.24Å
432H90.4Very high94.4Very high162 Ų16241.5 Ų41.575%0.7520%0.204SC*.SBendtrans-100-30.8-178.6-5686.3000111.6D399D399-H432 PolarHBondContact OD2-N 3.49Å; D399-H432 IonicContact OD2-ND1 3.65Å
433N94.6Very high94.4Very high37 Ų3739.5 Ų39.520%0.19820%0.199CC..  trans-145.465.6-178.6-169.127.6000113.2M396 K397 D399 V435M396-N433 PolarHBondContact O-ND2 3.03Å; K397-N433 PolarHBondContact O-ND2 2.84Å; D399-N433 PolarHBondContact N-O 3.39Å; D399-N433 VanDerWaalsContact OD1-CA 3.28Å; D399-N433 WeakPolarHBondContact OD1-CA 3.48Å; D399-N433 PolarHBondContact OD1-N 3.03Å; D399-N433 VanDerWaalsContact OD1-O 3.09Å; N433-V435 PolarHBondContact O-N 3.43Å
434P96.1Very high94.4Very high0 Ų038.8 Ų38.80%019%0.193CC..EExtended strand (participates in β ladder)trans-70108.8176.125.3-31.3000112.1C400 F402 R422 L425 L426C400-P434 HydrophobicContact CB-CB 4.06Å; C400-P434 CarbonylContact O-C 3.55Å; C400-P434 VanDerWaalsContact O-CA 3.31Å; C400-P434 WeakPolarHBondContact O-CA 3.48Å; F402-P434 HydrophobicContact CD1-CB 4.37Å; F402-P434 HydrophobicContact CE1-CB 4.39Å; F402-P434 WeakPolarHBondContact CE1-O 3.45Å; R422-P434 HydrophobicContact CG-CG 3.96Å; R422-P434 PolarHBondContact NH1-O 3.35Å; L425-P434 HydrophobicContact CB-CB 3.82Å; L425-P434 HydrophobicContact CB-CG 3.87Å; L425-P434 HydrophobicContact CD1-CB 3.78Å; L425-P434 HydrophobicContact CG-CB 4.44Å; L426-P434 HydrophobicContact CD2-CG 3.86Å; L426-P434 HydrophobicContact CG-CG 3.9Å
435V98.2Very high94.6Very high0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-87.5133-178.31740000111.6L393 M396 A398 C400 V401 F402 N433 T472 L474L393-V435 HydrophobicContact CD2-CB 4.2Å; L393-V435 HydrophobicContact CD2-CG1 3.71Å; M396-V435 HydrophobicContact CB-CG2 4.34Å; M396-V435 HydrophobicContact CE-CG1 3.72Å; M396-V435 HydrophobicContact CE-CG2 4.21Å; M396-V435 HydrophobicContact SD-CG1 4.02Å; A398-V435 HydrophobicContact CB-CB 3.88Å; A398-V435 HydrophobicContact CB-CG2 3.54Å; C400-V435 PolarHBondContact O-N 3.2Å; V401-V435 WeakPolarHBondContact CA-O 3.4Å; F402-V435 VanDerWaalsContact CD1-O 3.28Å; F402-V435 WeakPolarHBondContact CD1-O 3.27Å; F402-V435 PolarHBondContact N-O 3.22Å; N433-V435 PolarHBondContact O-N 3.43Å; V435-T472 WeakPolarHBondContact CA-O 3.33Å; V435-L474 HydrophobicContact CG1-CB 4.32Å
436L98.5Very high94.6Very high4 Ų439.2 Ų39.22%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-77.9119.2171.1171.960.5000109.7F402 M418 L438 L468 T472 T473 L474F402-L436 HydrophobicContact CD2-CD1 3.95Å; F402-L436 HydrophobicContact CE1-CB 3.86Å; F402-L436 HydrophobicContact CE2-CB 4.02Å; F402-L436 HydrophobicContact CE2-CD1 3.56Å; F402-L436 HydrophobicContact CE2-CG 4.28Å; F402-L436 HydrophobicContact CZ-CB 3.52Å; F402-L436 HydrophobicContact CZ-CD1 4.01Å; F402-L436 HydrophobicContact CZ-CG 4.25Å; F402-L436 CarbonylContact O-C 3.53Å; F402-L436 WeakPolarHBondContact O-CA 3.49Å; M418-L436 HydrophobicContact CB-CD1 4.48Å; M418-L436 HydrophobicContact CB-CD2 4.01Å; M418-L436 HydrophobicContact CG-CD1 4.19Å; M418-L436 HydrophobicContact CG-CD2 4.23Å; M418-L436 HydrophobicContact SD-CD1 4Å; M418-L436 HydrophobicContact SD-CD2 3.68Å; M418-L436 HydrophobicContact SD-CG 4.46Å; L436-L438 HydrophobicContact CD2-CB 4.42Å; L436-L438 HydrophobicContact CD2-CD1 4.4Å; L436-L438 HydrophobicContact CG-CB 4.29Å; L436-L438 PolarHBondContact O-N 2.79Å; L436-L468 HydrophobicContact CD2-CD1 4.06Å; L436-L468 HydrophobicContact CD2-CD2 4.16Å; L436-T472 PolarHBondContact N-O 3.16Å; L436-T473 HydrophobicContact CB-CG2 4.26Å; L436-T473 HydrophobicContact CD2-CG2 3.79Å; L436-T473 HydrophobicContact CG-CG2 4.02Å; L436-T473 CarbonylContact O-C 3.58Å; L436-T473 WeakPolarHBondContact O-CA 3.38Å; L436-L474 PolarHBondContact O-N 2.72Å
437L98.2Very high94.4Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-86.592.6164.1179.753.6000108.7L389 V401 F402 A403 F404 H439 L474 A476 A500L389-L437 HydrophobicContact CD2-CD1 3.96Å; V401-L437 HydrophobicContact CG1-CB 3.91Å; F402-L437 PolarHBondContact O-N 3.22Å; A403-L437 HydrophobicContact CB-CB 4.18Å; F404-L437 PolarHBondContact N-O 3.49Å; L437-H439 HydrophobicContact CD1-CB 4.3Å; L437-H439 HydrophobicContact CG-CB 3.96Å; L437-H439 PolarHBondContact O-N 3.39Å; L437-L474 HydrophobicContact CD1-CB 4.49Å; L437-L474 HydrophobicContact CD1-CD2 4.32Å; L437-L474 HydrophobicContact CD1-CG 4.34Å; L437-A476 HydrophobicContact CD1-CB 4.29Å; L437-A500 HydrophobicContact CD2-CB 3.73Å
438L97.6Very high94.1Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-79.599.7176.6-172.867.7000108.6L406 I410 M418 L436 P440 H459 L468 T473 L474 L475 A476L406-L438 HydrophobicContact CD1-CD1 3.27Å; L406-L438 HydrophobicContact CD1-CG 4.08Å; I410-L438 HydrophobicContact CD1-CD1 3.79Å; I410-L438 HydrophobicContact CD1-CD2 3.93Å; I410-L438 HydrophobicContact CD1-CG 4.35Å; M418-L438 HydrophobicContact CE-CD1 4.19Å; M418-L438 HydrophobicContact SD-CD1 3.65Å; L436-L438 HydrophobicContact CD2-CB 4.42Å; L436-L438 HydrophobicContact CD2-CD1 4.4Å; L436-L438 HydrophobicContact CG-CB 4.29Å; L436-L438 PolarHBondContact O-N 2.79Å; L438-P440 VanDerWaalsContact O-CD 3.25Å; L438-P440 WeakPolarHBondContact O-CD 3.48Å; L438-H459 HydrophobicContact CD2-CB 4.21Å; L438-L468 HydrophobicContact CD1-CD1 4.14Å; L438-L468 HydrophobicContact CD2-CD1 3.97Å; L438-T473 HydrophobicContact CB-CG2 3.63Å; L438-T473 HydrophobicContact CD2-CG2 4.12Å; L438-T473 HydrophobicContact CG-CG2 4.47Å; L438-L474 PolarHBondContact N-O 3.23Å; L438-L475 HydrophobicContact CB-CD1 4.45Å; L438-L475 HydrophobicContact CD2-CD1 4.03Å; L438-L475 HydrophobicContact CG-CD1 4.13Å; L438-L475 WeakPolarHBondContact O-CA 3.48Å; L438-L475 WeakPolarHBondContact O-CD1 3.43Å; L438-A476 PolarHBondContact O-N 2.9Å; L438-A476 VanDerWaalsContact O-N 3.09Å
439H97.2Very high94.3Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-126.772.4-156.3-152.5175000112.5W256 L437 A476 F478 R497W256-H439 AromaticContact CH2-CE1 3.47Å; W256-H439 VanDerWaalsContact CH2-CE1 3.47Å; W256-H439 WeakPolarHBondContact CH2-CE1 3.5Å; W256-H439 AromaticContact CH2-NE2 3.88Å; W256-H439 AromaticContact CZ3-CE1 3.94Å; L437-H439 HydrophobicContact CD1-CB 4.3Å; L437-H439 HydrophobicContact CG-CB 3.96Å; L437-H439 PolarHBondContact O-N 3.39Å; H439-A476 WeakPolarHBondContact CA-O 3.49Å; H439-A476 PolarHBondContact CD2-O 3.22Å; H439-A476 VanDerWaalsContact CD2-O 3.23Å; H439-F478 PolarHBondContact CD2-N 3.42Å; H439-F478 VanDerWaalsContact CD2-N 3.35Å; H439-F478 WeakPolarHBondContact NE2-CB 3.47Å; H439-F478 PolarHBondContact NE2-N 3.21Å; H439-R497 PolarHBondContact ND1-NE 2.97Å; H439-R497 PolarHBondContact O-NH2 3.13Å
440P96.8Very high94.7Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-59.7145.8176.222.6-35.2000113.5L406 L438 I456 L475 A476 F478L406-P440 HydrophobicContact CB-CB 4.3Å; L406-P440 CarbonylContact O-C 3.53Å; L406-P440 WeakPolarHBondContact O-CA 3.37Å; L438-P440 VanDerWaalsContact O-CD 3.25Å; L438-P440 WeakPolarHBondContact O-CD 3.48Å; P440-I456 HydrophobicContact CG-CD1 3.62Å; P440-L475 HydrophobicContact CG-CD1 4.01Å; P440-A476 WeakPolarHBondContact CD-O 3.35Å; P440-F478 PolarHBondContact O-N 2.94Å
441L96.4Very high95.2Very high0 Ų029.9 Ų29.90%016%0.164CC..BIsolated β-bridgetrans-73.2132.2170.3-176.4144.9000110L406 T445 R455 F478 S480 M482L406-L441 PolarHBondContact O-N 3.4Å; L441-T445 HydrophobicContact CD2-CG2 3.93Å; L441-R455 VanDerWaalsContact O-CZ 3.26Å; L441-R455 PolarHBondContact O-NH1 3.34Å; L441-R455 PolarHBondContact O-NH2 2.99Å; L441-F478 HydrophobicContact CD1-CD1 4.4Å; L441-S480 WeakPolarHBondContact CD1-O 3.39Å; L441-S480 VanDerWaalsContact CD2-O 3.25Å; L441-S480 WeakPolarHBondContact CD2-O 3.26Å; L441-S480 WeakPolarHBondContact CG-O 3.29Å; L441-M482 HydrophobicContact CD1-CB 4.19Å; L441-M482 HydrophobicContact CD1-SD 3.82Å; L441-M482 HydrophobicContact CD2-CB 3.86Å
442G96.5Very high95.6Very high13 Ų1330 Ų3013%0.13417%0.166CC..  trans-1242.6-173.500000116.1L452 F478G442-L452 WeakPolarHBondContact O-CD2 3.26Å; G442-F478 PolarHBondContact N-O 3.26Å
443G96.6Very high95.9Very high8 Ų826.4 Ų26.48%0.08215%0.153CC..SBendtrans-76.6-168.6164.500000111.9Q247 P479 S480Q247-G443 VanDerWaalsContact OE1-CA 3.29Å; G443-P479 WeakPolarHBondContact CA-O 3.31Å; G443-P479 PolarHBondContact N-O 3.31Å; G443-S480 WeakPolarHBondContact CA-O 3.4Å; G443-S480 PolarHBondContact N-O 2.85Å; G443-S480 VanDerWaalsContact N-O 3.14Å
444W97.5Very high96.1Very high71 Ų7126.1 Ų26.127%0.26915%0.15SC..  trans-55.7139.6179.4175.992.3000111.5L244 P350 M354 P481 M482 Y484L244-W444 HydrophobicContact CD1-CB 4.21Å; P350-W444 HydrophobicContact CB-CH2 3.9Å; P350-W444 HydrophobicContact CG-CH2 4.43Å; M354-W444 HydrophobicContact CE-CD2 4.04Å; M354-W444 HydrophobicContact CE-CG 4.39Å; M354-W444 HydrophobicContact CE-CH2 4.35Å; M354-W444 HydrophobicContact CE-CZ2 3.75Å; M354-W444 HydrophobicContact SD-CD2 4.34Å; M354-W444 HydrophobicContact SD-CE3 4.39Å; M354-W444 HydrophobicContact SD-CH2 3.8Å; M354-W444 HydrophobicContact SD-CZ2 3.81Å; M354-W444 HydrophobicContact SD-CZ3 4.14Å; W444-P481 HydrophobicContact CB-CB 4.38Å; W444-M482 VanDerWaalsContact CZ3-O 3.3Å; W444-M482 WeakPolarHBondContact CZ3-O 3.42Å; W444-M482 WeakPolarHBondContact O-CB 3.22Å; W444-M482 PolarHBondContact O-N 3.45Å; W444-Y484 HydrophobicContact CH2-CE2 4.44Å; W444-Y484 HydrophobicContact CZ3-CD2 4.48Å; W444-Y484 AromaticContact CZ3-CE2 3.91Å; W444-Y484 HydrophobicContact CZ3-CE2 3.91Å
445T97.2Very high96.1Very high25 Ų2526.1 Ų26.115%0.15315%0.151CC..  trans-132.6153.5171.355.70000108.4R407 L441 D449 M482 Y484R407-T445 HydrophobicContact CG-CG2 4.35Å; L441-T445 HydrophobicContact CD2-CG2 3.93Å; T445-D449 WeakPolarHBondContact CB-OD2 3.4Å; T445-M482 HydrophobicContact CG2-CB 4.08Å; T445-Y484 WeakPolarHBondContact CA-OH 3.49Å; T445-Y484 WeakPolarHBondContact CB-OH 3.28Å
446K94.8Very high96.1Very high34 Ų3426.3 Ų26.315%0.14815%0.151CC..  trans-58.9157.1173.671.1-175.4-177.6117.80111.8P350 D448 D449 Y484P350-K446 HydrophobicContact CB-CB 4.36Å; P350-K446 HydrophobicContact CG-CB 4.31Å; P350-K446 HydrophobicContact CG-CD 4.46Å; K446-D448 VanDerWaalsContact C-N 3.31Å; K446-D448 VanDerWaalsContact CD-OD1 3.23Å; K446-D448 WeakPolarHBondContact CD-OD1 3.38Å; K446-D448 WeakPolarHBondContact CE-OD1 3.37Å; K446-D448 WeakPolarHBondContact CG-OD1 3.28Å; K446-D448 IonicContact NZ-OD1 3.4Å; K446-D448 PolarHBondContact NZ-OD1 3Å; K446-D448 IonicContact NZ-OD2 3.83Å; K446-D448 PolarHBondContact NZ-OD2 3.4Å; K446-D448 PolarHBondContact O-N 3.27Å; K446-D449 WeakPolarHBondContact O-CB 3.33Å; K446-D449 PolarHBondContact O-N 3.46Å; K446-D449 VanDerWaalsContact O-N 3.11Å; K446-Y484 HydrophobicContact CB-CE2 4.05Å; K446-Y484 HydrophobicContact CD-CD1 4.36Å; K446-Y484 HydrophobicContact CD-CE1 3.76Å; K446-Y484 HydrophobicContact CD-CE2 4.25Å; K446-Y484 HydrophobicContact CG-CE1 4.03Å; K446-Y484 HydrophobicContact CG-CE2 4.16Å; K446-Y484 WeakPolarHBondContact CG-OH 3.4Å; K446-Y484 PolarHBondContact N-OH 2.99Å
447S91.2Very high96.1Very high126 Ų12628.2 Ų28.288%0.88117%0.168SC*.THydrogen-bonded Turntrans-64.6-24.2-166.554.10000115.8D449S447-D449 VanDerWaalsContact C-N 3.33Å
448D89.5Confident96.1Very high72 Ų7228.2 Ų28.239%0.38517%0.168SC..THydrogen-bonded Turntrans-86-1.5178.166.1-55.5000114.2K446K446-D448 VanDerWaalsContact C-N 3.31Å; K446-D448 VanDerWaalsContact CD-OD1 3.23Å; K446-D448 WeakPolarHBondContact CD-OD1 3.38Å; K446-D448 WeakPolarHBondContact CE-OD1 3.37Å; K446-D448 WeakPolarHBondContact CG-OD1 3.28Å; K446-D448 IonicContact NZ-OD1 3.4Å; K446-D448 PolarHBondContact NZ-OD1 3Å; K446-D448 IonicContact NZ-OD2 3.83Å; K446-D448 PolarHBondContact NZ-OD2 3.4Å; K446-D448 PolarHBondContact O-N 3.27Å
449D93.1Very high96.1Very high8 Ų828.2 Ų28.24%0.04317%0.168CC..SBendtrans-78.1151.4173.6-71.9-14.8000112.5R407 T445 K446 S447 P451 Y484R407-D449 WeakPolarHBondContact CD-OD2 3.39Å; R407-D449 IonicContact CZ-OD1 3.71Å; R407-D449 IonicContact CZ-OD2 3.29Å; R407-D449 IonicContact NE-OD1 3.16Å; R407-D449 PolarHBondContact NE-OD1 3.39Å; R407-D449 IonicContact NE-OD2 3.02Å; R407-D449 PolarHBondContact NE-OD2 3.4Å; R407-D449 IonicContact NH2-OD1 3.86Å; R407-D449 PolarHBondContact NH2-OD1 2.85Å; R407-D449 IonicContact NH2-OD2 2.79Å; T445-D449 WeakPolarHBondContact CB-OD2 3.4Å; K446-D449 WeakPolarHBondContact O-CB 3.33Å; K446-D449 PolarHBondContact O-N 3.46Å; K446-D449 VanDerWaalsContact O-N 3.11Å; S447-D449 VanDerWaalsContact C-N 3.33Å; D449-P451 WeakPolarHBondContact O-CD 3.31Å; D449-Y484 PolarHBondContact OD2-OH 3.18Å
450V94.2Very high96.1Very high7 Ų730 Ų304%0.04218%0.176CC..PPolyproline II helixtrans-66.4125.4174.6-178.60000109P409 I454 R455 L602 Y606P409-V450 HydrophobicContact CG-CB 4.07Å; P409-V450 HydrophobicContact CG-CG1 4.24Å; P409-V450 HydrophobicContact CG-CG2 3.72Å; V450-I454 HydrophobicContact CG1-CB 3.73Å; V450-I454 HydrophobicContact CG1-CG2 3.57Å; V450-R455 HydrophobicContact CB-CG 3.94Å; V450-R455 HydrophobicContact CG1-CG 3.78Å; V450-R455 WeakPolarHBondContact O-CD 3.46Å; V450-R455 PolarHBondContact O-NE 3.33Å; V450-L602 HydrophobicContact CG1-CD2 4.09Å; V450-L602 HydrophobicContact CG2-CD2 4.5Å; V450-Y606 HydrophobicContact CG2-CE2 4.2Å; V450-Y606 WeakPolarHBondContact CG2-OH 3.02Å
451P95.9Very high96.1Very high41 Ų4130.3 Ų30.327%0.26618%0.179SC..PPolyproline II helixtrans-56.1150179.6-28.336.3000113D449 N453 I454 R455 Y605D449-P451 WeakPolarHBondContact O-CD 3.31Å; P451-N453 VanDerWaalsContact CB-OD1 3.3Å; P451-N453 WeakPolarHBondContact CB-OD1 3.39Å; P451-N453 PolarHBondContact O-N 3.49Å; P451-I454 HydrophobicContact CB-CG1 4.26Å; P451-I454 PolarHBondContact O-N 2.94Å; P451-I454 VanDerWaalsContact O-N 3.12Å; P451-R455 PolarHBondContact O-N 3.27Å; P451-Y605 WeakPolarHBondContact CD-OH 3.37Å; P451-Y605 HydrophobicContact CG-CE2 3.95Å; P451-Y605 WeakPolarHBondContact CG-OH 3.26Å
452L97.2Very high96.2Very high22 Ų2230.3 Ų30.312%0.11518%0.179CC..Hα-helixtrans-57.3-45.2-174.5178.261.3000113.2L379 G442 I454 R455 I456 I477L379-L452 HydrophobicContact CD1-CD2 4.03Å; L379-L452 HydrophobicContact CD1-CG 3.87Å; G442-L452 WeakPolarHBondContact O-CD2 3.26Å; L452-I454 VanDerWaalsContact C-N 3.26Å; L452-I454 PolarHBondContact O-N 3.48Å; L452-R455 PolarHBondContact O-N 2.67Å; L452-R455 VanDerWaalsContact O-N 3.13Å; L452-I456 HydrophobicContact CD1-CD1 4.36Å; L452-I456 HydrophobicContact CD1-CG1 3.97Å; L452-I456 HydrophobicContact CG-CG1 4.33Å; L452-I456 WeakPolarHBondContact O-CG1 3.43Å; L452-I456 PolarHBondContact O-N 2.6Å; L452-I477 HydrophobicContact CD1-CD1 4.35Å; L452-I477 HydrophobicContact CD1-CG1 4.43Å; L452-I477 HydrophobicContact CD2-CD1 4.14Å; L452-I477 HydrophobicContact CD2-CG2 4.36Å; L452-I477 HydrophobicContact CG-CD1 4.44Å
453N97.4Very high96.2Very high87 Ų8730.1 Ų30.147%0.46518%0.175SC..Hα-helixtrans-59-38.4178.564.1-48.1000112.3L379 P451 A457L379-N453 HydrophobicContact CD1-CB 4.03Å; P451-N453 VanDerWaalsContact CB-OD1 3.3Å; P451-N453 WeakPolarHBondContact CB-OD1 3.39Å; P451-N453 PolarHBondContact O-N 3.49Å; N453-A457 WeakPolarHBondContact O-CB 3.47Å; N453-A457 PolarHBondContact O-N 2.89Å
454I97.5Very high96.3Very high30 Ų3034.1 Ų34.115%0.15419%0.194CC..Hα-helixtrans-70.2-41.5176.2-54.8-56.7000110.6V450 P451 L452 A457 Q458 V601 L602 Y605V450-I454 HydrophobicContact CG1-CB 3.73Å; V450-I454 HydrophobicContact CG1-CG2 3.57Å; P451-I454 HydrophobicContact CB-CG1 4.26Å; P451-I454 PolarHBondContact O-N 2.94Å; P451-I454 VanDerWaalsContact O-N 3.12Å; L452-I454 VanDerWaalsContact C-N 3.26Å; L452-I454 PolarHBondContact O-N 3.48Å; I454-A457 PolarHBondContact O-N 3.28Å; I454-Q458 VanDerWaalsContact O-CB 3.26Å; I454-Q458 WeakPolarHBondContact O-CB 3.49Å; I454-Q458 PolarHBondContact O-N 2.81Å; I454-V601 HydrophobicContact CG2-CG1 4.02Å; I454-L602 HydrophobicContact CG2-CD2 4.13Å; I454-Y605 HydrophobicContact CD1-CD2 4.07Å; I454-Y605 HydrophobicContact CD1-CG 4.36Å; I454-Y605 HydrophobicContact CG1-CD2 3.77Å; I454-Y605 HydrophobicContact CG1-CE2 4.26Å; I454-Y605 HydrophobicContact CG1-CG 3.99Å; I454-Y605 HydrophobicContact CG2-CD1 4.27Å; I454-Y605 HydrophobicContact CG2-CG 4.02Å
455R97.4Very high96.3Very high1 Ų133.9 Ų33.90%0.00420%0.196CC..Hα-helixtrans-60.5-47.9174.9-70.1-175.7-73.5116.3-10111.4R407 L441 V450 P451 L452 A457 Q458 H459R407-R455 WeakPolarHBondContact O-CD 3.39Å; R407-R455 PolarHBondContact O-NE 2.93Å; L441-R455 VanDerWaalsContact O-CZ 3.26Å; L441-R455 PolarHBondContact O-NH1 3.34Å; L441-R455 PolarHBondContact O-NH2 2.99Å; V450-R455 HydrophobicContact CB-CG 3.94Å; V450-R455 HydrophobicContact CG1-CG 3.78Å; V450-R455 WeakPolarHBondContact O-CD 3.46Å; V450-R455 PolarHBondContact O-NE 3.33Å; P451-R455 PolarHBondContact O-N 3.27Å; L452-R455 PolarHBondContact O-N 2.67Å; L452-R455 VanDerWaalsContact O-N 3.13Å; R455-A457 PolarHBondContact O-N 3.36Å; R455-Q458 CarbonylContact O-C 3.59Å; R455-Q458 WeakPolarHBondContact O-CB 3.43Å; R455-Q458 PolarHBondContact O-N 3.39Å; R455-Q458 VanDerWaalsContact O-N 3.13Å; R455-H459 PolarHBondContact O-CE1 3.48Å; R455-H459 VanDerWaalsContact O-CG 3.3Å; R455-H459 PolarHBondContact O-N 3.44Å; R455-H459 PolarHBondContact O-ND1 3.05Å
456I97.9Very high96.2Very high3 Ų335.5 Ų35.52%0.01522%0.218CC..Hα-helixtrans-62.1-45.6178.6-64.8-64.9000111.5L379 Y382 P440 L452 Q458 H459 E460 L475 I477L379-I456 HydrophobicContact CD1-CG1 4.49Å; L379-I456 HydrophobicContact CD2-CB 4.21Å; L379-I456 HydrophobicContact CD2-CG1 4.44Å; L379-I456 HydrophobicContact CD2-CG2 4.04Å; Y382-I456 HydrophobicContact CD2-CG2 3.92Å; Y382-I456 HydrophobicContact CE1-CG2 4.3Å; Y382-I456 HydrophobicContact CE2-CG2 3.61Å; Y382-I456 HydrophobicContact CG-CG2 4.4Å; P440-I456 HydrophobicContact CG-CD1 3.62Å; L452-I456 HydrophobicContact CD1-CD1 4.36Å; L452-I456 HydrophobicContact CD1-CG1 3.97Å; L452-I456 HydrophobicContact CG-CG1 4.33Å; L452-I456 WeakPolarHBondContact O-CG1 3.43Å; L452-I456 PolarHBondContact O-N 2.6Å; I456-Q458 PolarHBondContact O-N 2.88Å; I456-H459 PolarHBondContact O-N 3.05Å; I456-H459 VanDerWaalsContact O-N 3.12Å; I456-E460 PolarHBondContact O-N 2.86Å; I456-L475 HydrophobicContact CD1-CD1 4.16Å; I456-I477 HydrophobicContact CD1-CD1 3.93Å; I456-I477 HydrophobicContact CD1-CG1 3.69Å; I456-I477 HydrophobicContact CG1-CD1 4.02Å; I456-I477 HydrophobicContact CG1-CG1 4.31Å
457A98.1Very high96.2Very high44 Ų4435.6 Ų35.636%0.36422%0.221SC..Hα-helixtrans-58.6-38.5174.400000112.1N453 I454 R455 A461 V601N453-A457 WeakPolarHBondContact O-CB 3.47Å; N453-A457 PolarHBondContact O-N 2.89Å; I454-A457 PolarHBondContact O-N 3.28Å; R455-A457 PolarHBondContact O-N 3.36Å; A457-A461 WeakPolarHBondContact O-CB 3.44Å; A457-A461 PolarHBondContact O-N 3.15Å; A457-V601 HydrophobicContact CB-CG1 3.97Å
458Q97.5Very high96.5Very high0 Ų029.7 Ų29.70%018%0.18CC..Hα-helixtrans-69.3-35.4176.7-173.5-84.3-30.100112.5P409 I410 I454 R455 I456 A461 C462 A598 V601 L602P409-Q458 HydrophobicContact CB-CG 4.29Å; I410-Q458 PolarHBondContact O-NE2 3.3Å; I454-Q458 VanDerWaalsContact O-CB 3.26Å; I454-Q458 WeakPolarHBondContact O-CB 3.49Å; I454-Q458 PolarHBondContact O-N 2.81Å; R455-Q458 CarbonylContact O-C 3.59Å; R455-Q458 WeakPolarHBondContact O-CB 3.43Å; R455-Q458 PolarHBondContact O-N 3.39Å; R455-Q458 VanDerWaalsContact O-N 3.13Å; I456-Q458 PolarHBondContact O-N 2.88Å; Q458-A461 PolarHBondContact O-N 3.29Å; Q458-C462 PolarHBondContact NE2-SG 2.74Å; Q458-C462 PolarHBondContact O-N 3.34Å; Q458-C462 VanDerWaalsContact O-N 3.09Å; Q458-C462 PolarHBondContact O-SG 3.42Å; Q458-A598 HydrophobicContact CG-CB 4.16Å; Q458-A598 WeakPolarHBondContact CG-O 3.21Å; Q458-V601 HydrophobicContact CB-CB 4.38Å; Q458-V601 HydrophobicContact CB-CG1 4Å; Q458-L602 HydrophobicContact CB-CD2 4.43Å; Q458-L602 HydrophobicContact CG-CD1 4.25Å; Q458-L602 HydrophobicContact CG-CD2 4.16Å; Q458-L602 HydrophobicContact CG-CG 3.97Å
459H97.6Very high96.9Very high0 Ų030 Ų300%018%0.181CC..Hα-helixtrans-70.2-41.8176-66.726.3000111.2L406 I410 L438 R455 I456 A461 C462 L463 L475L406-H459 WeakPolarHBondContact CD1-NE2 3.09Å; I410-H459 HydrophobicContact CD1-CB 4.36Å; L438-H459 HydrophobicContact CD2-CB 4.21Å; R455-H459 PolarHBondContact O-CE1 3.48Å; R455-H459 VanDerWaalsContact O-CG 3.3Å; R455-H459 PolarHBondContact O-N 3.44Å; R455-H459 PolarHBondContact O-ND1 3.05Å; I456-H459 PolarHBondContact O-N 3.05Å; I456-H459 VanDerWaalsContact O-N 3.12Å; H459-A461 VanDerWaalsContact C-N 3.31Å; H459-A461 PolarHBondContact O-N 3.22Å; H459-C462 WeakPolarHBondContact O-CB 3.05Å; H459-C462 PolarHBondContact O-N 3.39Å; H459-C462 VanDerWaalsContact O-N 3.15Å; H459-L463 WeakPolarHBondContact O-CG 3.26Å; H459-L463 PolarHBondContact O-N 2.89Å; H459-L463 VanDerWaalsContact O-N 3.11Å; H459-L475 HydrophobicContact CB-CD1 4.1Å; H459-L475 HydrophobicContact CB-CD2 3.95Å
460E97.8Very high97.1Very high37 Ų3734.4 Ų34.417%0.17320%0.197CC..Hα-helixtrans-59.6-42.9172.2-73.7-73.2-16900111.5Y382 I456 C462 L463 D464 R470 L475Y382-E460 VanDerWaalsContact CE1-OE1 3.22Å; Y382-E460 WeakPolarHBondContact CE1-OE1 3.35Å; Y382-E460 VanDerWaalsContact CZ-OE1 3.28Å; Y382-E460 PolarHBondContact OH-OE1 3.09Å; I456-E460 PolarHBondContact O-N 2.86Å; E460-C462 VanDerWaalsContact C-N 3.3Å; E460-C462 PolarHBondContact O-N 3.46Å; E460-L463 WeakPolarHBondContact O-CB 3.48Å; E460-L463 PolarHBondContact O-N 3.23Å; E460-L463 VanDerWaalsContact O-N 3.09Å; E460-D464 WeakPolarHBondContact O-CB 3.37Å; E460-D464 PolarHBondContact O-N 3.11Å; E460-R470 IonicContact OE2-CZ 2.76Å; E460-R470 IonicContact OE2-NH1 3.7Å; E460-R470 PolarHBondContact OE2-NH1 3.42Å; E460-R470 IonicContact OE2-NH2 2.85Å; E460-R470 PolarHBondContact OE2-NH2 3.02Å; E460-L475 HydrophobicContact CG-CD2 4.08Å
461A98.1Very high97.2Very high7 Ų740.4 Ų40.46%0.05823%0.229CC..Hα-helixtrans-60.1-37.9174.400000112.8A457 Q458 H459 L463 D464 E465 K597 A598 V601A457-A461 WeakPolarHBondContact O-CB 3.44Å; A457-A461 PolarHBondContact O-N 3.15Å; Q458-A461 PolarHBondContact O-N 3.29Å; H459-A461 VanDerWaalsContact C-N 3.31Å; H459-A461 PolarHBondContact O-N 3.22Å; A461-L463 VanDerWaalsContact C-N 3.33Å; A461-L463 PolarHBondContact O-N 3.42Å; A461-D464 PolarHBondContact O-N 3.36Å; A461-E465 WeakPolarHBondContact O-CG 3.09Å; A461-E465 PolarHBondContact O-N 3.12Å; A461-E465 VanDerWaalsContact O-N 3.12Å; A461-K597 HydrophobicContact CB-CB 3.95Å; A461-A598 HydrophobicContact CB-CB 4.04Å; A461-V601 HydrophobicContact CB-CG2 4.34Å
462C97.1Very high97.3Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-63-38.9173.9-66.10000112.3Q458 H459 E460 G466 V467 A598Q458-C462 PolarHBondContact NE2-SG 2.74Å; Q458-C462 PolarHBondContact O-N 3.34Å; Q458-C462 VanDerWaalsContact O-N 3.09Å; Q458-C462 PolarHBondContact O-SG 3.42Å; H459-C462 WeakPolarHBondContact O-CB 3.05Å; H459-C462 PolarHBondContact O-N 3.39Å; H459-C462 VanDerWaalsContact O-N 3.15Å; E460-C462 VanDerWaalsContact C-N 3.3Å; E460-C462 PolarHBondContact O-N 3.46Å; C462-G466 PolarHBondContact O-N 3.02Å; C462-V467 HydrophobicContact CB-CB 4.43Å; C462-V467 WeakPolarHBondContact O-CB 3.46Å; C462-V467 PolarHBondContact O-N 2.84Å; C462-A598 VanDerWaalsContact SG-CB 3.59Å
463L97.6Very high97.4Very high9 Ų938.5 Ų38.55%0.04722%0.218CC..Hα-helixtrans-70.1-41.6176.8-65.4167.1000111.2H459 E460 A461 E465 G466 L468 T473 L475H459-L463 WeakPolarHBondContact O-CG 3.26Å; H459-L463 PolarHBondContact O-N 2.89Å; H459-L463 VanDerWaalsContact O-N 3.11Å; E460-L463 WeakPolarHBondContact O-CB 3.48Å; E460-L463 PolarHBondContact O-N 3.23Å; E460-L463 VanDerWaalsContact O-N 3.09Å; A461-L463 VanDerWaalsContact C-N 3.33Å; A461-L463 PolarHBondContact O-N 3.42Å; L463-E465 PolarHBondContact O-N 3.04Å; L463-G466 PolarHBondContact O-N 2.69Å; L463-L468 HydrophobicContact CD2-CB 3.83Å; L463-T473 HydrophobicContact CD2-CG2 3.89Å; L463-L475 HydrophobicContact CD1-CB 4.35Å; L463-L475 HydrophobicContact CD1-CD2 4.31Å
464D97.8Very high97.4Very high93 Ų9335.3 Ų35.350%0.49720%0.201SC..Hα-helixtrans-67.2-19.8178.7-73.6-14.2000114.1E460 A461 R470 K597E460-D464 WeakPolarHBondContact O-CB 3.37Å; E460-D464 PolarHBondContact O-N 3.11Å; A461-D464 PolarHBondContact O-N 3.36Å; D464-R470 IonicContact OD1-CZ 3.89Å; D464-R470 IonicContact OD1-NE 3.66Å; D464-R470 IonicContact OD1-NH2 2.66Å; D464-R470 PolarHBondContact OD1-NH2 2.98Å; D464-K597 PolarHBondContact O-NZ 3.44Å
465E96.8Very high97.4Very high66 Ų6634.7 Ų34.731%0.30820%0.197SC..THydrogen-bonded Turntrans-97.60.5174.1-68.7-176.1-96.800112.8A461 L463 V467 A595 E596 K597 A598A461-E465 WeakPolarHBondContact O-CG 3.09Å; A461-E465 PolarHBondContact O-N 3.12Å; A461-E465 VanDerWaalsContact O-N 3.12Å; L463-E465 PolarHBondContact O-N 3.04Å; E465-V467 HydrophobicContact CB-CG2 4.35Å; E465-V467 PolarHBondContact O-N 3.18Å; E465-A595 HydrophobicContact CB-CB 4.21Å; E465-A595 VanDerWaalsContact CD-CB 3.45Å; E465-A595 HydrophobicContact CG-CB 4.42Å; E465-A595 WeakPolarHBondContact OE1-CB 3.47Å; E465-E596 PolarHBondContact OE1-N 3.25Å; E465-E596 PolarHBondContact OE2-N 2.95Å; E465-K597 VanDerWaalsContact CD-N 3.28Å; E465-K597 HydrophobicContact CG-CB 4.12Å; E465-K597 HydrophobicContact CG-CD 3.69Å; E465-K597 HydrophobicContact CG-CG 3.79Å; E465-K597 VanDerWaalsContact OE1-CA 3.24Å; E465-K597 WeakPolarHBondContact OE1-CA 3.24Å; E465-K597 WeakPolarHBondContact OE1-CB 3.43Å; E465-K597 PolarHBondContact OE1-N 3.38Å; E465-K597 PolarHBondContact OE2-N 3.41Å; E465-A598 PolarHBondContact OE1-N 3.27Å
466G96.5Very high97.5Very high59 Ų5934.6 Ų34.661%0.60820%0.197SC*.THydrogen-bonded Turntrans6918.8-179.900000114.1C462 L463C462-G466 PolarHBondContact O-N 3.02Å; L463-G466 PolarHBondContact O-N 2.69Å
467V95Very high97.5Very high35 Ų3534.5 Ų34.521%0.21220%0.196CC..SBendtrans-66.5-34173171.50000110.9A415 C462 E465 A595A415-V467 HydrophobicContact CB-CG1 3.31Å; C462-V467 HydrophobicContact CB-CB 4.43Å; C462-V467 WeakPolarHBondContact O-CB 3.46Å; C462-V467 PolarHBondContact O-N 2.84Å; E465-V467 HydrophobicContact CB-CG2 4.35Å; E465-V467 PolarHBondContact O-N 3.18Å; V467-A595 HydrophobicContact CG2-CB 3.54Å
468L96.5Very high97.5Very high3 Ų332.4 Ų32.42%0.01618%0.179CC..SBendtrans-122.3142.1164.3-64.6174.4000107.8I410 A415 M418 T419 L436 L438 L463 R470I410-L468 HydrophobicContact CD1-CD1 4.4Å; A415-L468 HydrophobicContact CB-CD2 4.27Å; M418-L468 HydrophobicContact CB-CD2 3.99Å; M418-L468 HydrophobicContact CE-CD1 3.79Å; M418-L468 HydrophobicContact CE-CD2 4.14Å; M418-L468 HydrophobicContact CE-CG 4.5Å; M418-L468 HydrophobicContact SD-CD1 4.22Å; T419-L468 HydrophobicContact CG2-CD2 4.1Å; L436-L468 HydrophobicContact CD2-CD1 4.06Å; L436-L468 HydrophobicContact CD2-CD2 4.16Å; L438-L468 HydrophobicContact CD1-CD1 4.14Å; L438-L468 HydrophobicContact CD2-CD1 3.97Å; L463-L468 HydrophobicContact CD2-CB 3.83Å; L468-R470 PolarHBondContact O-N 2.77Å
469D97.2Very high97.5Very high77 Ų7732.5 Ų32.541%0.41218%0.18SC..  trans-72.7120.1178.217320.6000110.3D471 T472 T473D469-D471 VanDerWaalsContact C-N 3.33Å; D469-D471 PolarHBondContact O-N 2.94Å; D469-D471 PolarHBondContact OD1-N 2.92Å; D469-D471 VanDerWaalsContact OD1-N 3.1Å; D469-T472 WeakPolarHBondContact CB-OG1 3.39Å; D469-T472 VanDerWaalsContact CG-OG1 3.3Å; D469-T472 PolarHBondContact O-N 2.55Å; D469-T472 WeakPolarHBondContact OD2-CB 3.48Å; D469-T472 VanDerWaalsContact OD2-CG2 3.32Å; D469-T472 WeakPolarHBondContact OD2-CG2 3.48Å; D469-T472 PolarHBondContact OD2-OG1 3.38Å; D469-T473 WeakPolarHBondContact O-CB 3.31Å; D469-T473 PolarHBondContact O-N 3.32Å; D469-T473 VanDerWaalsContact O-N 3.14Å; D469-T473 PolarHBondContact O-OG1 3.1Å
470R97.5Very high97.5Very high101 Ų10132.5 Ų32.538%0.38118%0.18SC..G310 helixtrans-66.1-34-177.5-177.7173.6-72.7-77.96.9112.4E460 D464 L468 T472E460-R470 IonicContact OE2-CZ 2.76Å; E460-R470 IonicContact OE2-NH1 3.7Å; E460-R470 PolarHBondContact OE2-NH1 3.42Å; E460-R470 IonicContact OE2-NH2 2.85Å; E460-R470 PolarHBondContact OE2-NH2 3.02Å; D464-R470 IonicContact OD1-CZ 3.89Å; D464-R470 IonicContact OD1-NE 3.66Å; D464-R470 IonicContact OD1-NH2 2.66Å; D464-R470 PolarHBondContact OD1-NH2 2.98Å; L468-R470 PolarHBondContact O-N 2.77Å; R470-T472 PolarHBondContact O-N 3.25Å
471D97.4Very high97.5Very high134 Ų13430.7 Ų30.772%0.71717%0.171SC*.G310 helixtrans-73.4-20.3-176.6-68.5-20.6000112M396 D469M396-D471 VanDerWaalsContact CE-O 3.29Å; M396-D471 WeakPolarHBondContact CE-O 3.47Å; D469-D471 VanDerWaalsContact C-N 3.33Å; D469-D471 PolarHBondContact O-N 2.94Å; D469-D471 PolarHBondContact OD1-N 2.92Å; D469-D471 VanDerWaalsContact OD1-N 3.1Å
472T97.9Very high97.5Very high11 Ų1130.5 Ų30.57%0.06717%0.169CC..G310 helixtrans-120.216.7-177.264.10000113.2V435 L436 D469 R470V435-T472 WeakPolarHBondContact CA-O 3.33Å; L436-T472 PolarHBondContact N-O 3.16Å; D469-T472 WeakPolarHBondContact CB-OG1 3.39Å; D469-T472 VanDerWaalsContact CG-OG1 3.3Å; D469-T472 PolarHBondContact O-N 2.55Å; D469-T472 WeakPolarHBondContact OD2-CB 3.48Å; D469-T472 VanDerWaalsContact OD2-CG2 3.32Å; D469-T472 WeakPolarHBondContact OD2-CG2 3.48Å; D469-T472 PolarHBondContact OD2-OG1 3.38Å; R470-T472 PolarHBondContact O-N 3.25Å
473T98.4Very high97.5Very high12 Ų1231.5 Ų31.57%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-127.8120.7176.7-57.50000111.4L436 L438 L463 D469L436-T473 HydrophobicContact CB-CG2 4.26Å; L436-T473 HydrophobicContact CD2-CG2 3.79Å; L436-T473 HydrophobicContact CG-CG2 4.02Å; L436-T473 CarbonylContact O-C 3.58Å; L436-T473 WeakPolarHBondContact O-CA 3.38Å; L438-T473 HydrophobicContact CB-CG2 3.63Å; L438-T473 HydrophobicContact CD2-CG2 4.12Å; L438-T473 HydrophobicContact CG-CG2 4.47Å; L463-T473 HydrophobicContact CD2-CG2 3.89Å; D469-T473 WeakPolarHBondContact O-CB 3.31Å; D469-T473 PolarHBondContact O-N 3.32Å; D469-T473 VanDerWaalsContact O-N 3.14Å; D469-T473 PolarHBondContact O-OG1 3.1Å
474L98.2Very high97.5Very high20 Ų2031.1 Ų31.111%0.10517%0.172CC..EExtended strand (participates in β ladder)trans-97.2109.9170.3-178.257.8000110L384 L389 E392 L393 M396 V435 L436 L437 L438L384-L474 HydrophobicContact CD1-CD1 4.44Å; L389-L474 HydrophobicContact CD2-CD2 3.73Å; L389-L474 HydrophobicContact CD2-CG 4.39Å; E392-L474 HydrophobicContact CB-CD1 4.35Å; E392-L474 HydrophobicContact CB-CD2 4.02Å; L393-L474 HydrophobicContact CD2-CB 4.44Å; L393-L474 HydrophobicContact CD2-CD2 3.77Å; L393-L474 HydrophobicContact CG-CD2 3.79Å; M396-L474 HydrophobicContact SD-CB 3.95Å; M396-L474 HydrophobicContact SD-CD1 4.38Å; V435-L474 HydrophobicContact CG1-CB 4.32Å; L436-L474 PolarHBondContact O-N 2.72Å; L437-L474 HydrophobicContact CD1-CB 4.49Å; L437-L474 HydrophobicContact CD1-CD2 4.32Å; L437-L474 HydrophobicContact CD1-CG 4.34Å; L438-L474 PolarHBondContact N-O 3.23Å
475L98.1Very high97.5Very high16 Ų1626.7 Ų26.78%0.08415%0.149CC..EExtended strand (participates in β ladder)trans-85.6117.4172.5175.258.6000110.4Y382 L438 P440 I456 H459 E460 L463Y382-L475 HydrophobicContact CD1-CD2 4.21Å; Y382-L475 HydrophobicContact CD1-CG 4.02Å; Y382-L475 HydrophobicContact CE1-CD2 3.89Å; Y382-L475 HydrophobicContact CE1-CG 4.19Å; L438-L475 HydrophobicContact CB-CD1 4.45Å; L438-L475 HydrophobicContact CD2-CD1 4.03Å; L438-L475 HydrophobicContact CG-CD1 4.13Å; L438-L475 WeakPolarHBondContact O-CA 3.48Å; L438-L475 WeakPolarHBondContact O-CD1 3.43Å; P440-L475 HydrophobicContact CG-CD1 4.01Å; I456-L475 HydrophobicContact CD1-CD1 4.16Å; H459-L475 HydrophobicContact CB-CD1 4.1Å; H459-L475 HydrophobicContact CB-CD2 3.95Å; E460-L475 HydrophobicContact CG-CD2 4.08Å; L463-L475 HydrophobicContact CD1-CB 4.35Å; L463-L475 HydrophobicContact CD1-CD2 4.31Å
476A98.1Very high97.5Very high0 Ų023.5 Ų23.50%013%0.134CC..  trans-142.4161177.600000111.9Y382 L384 L389 L437 L438 H439 P440Y382-A476 CarbonylContact O-C 3.57Å; Y382-A476 VanDerWaalsContact O-CA 3.3Å; Y382-A476 WeakPolarHBondContact O-CA 3.27Å; L384-A476 HydrophobicContact CD1-CB 4.45Å; L389-A476 HydrophobicContact CD2-CB 3.58Å; L437-A476 HydrophobicContact CD1-CB 4.29Å; L438-A476 PolarHBondContact O-N 2.9Å; L438-A476 VanDerWaalsContact O-N 3.09Å; H439-A476 WeakPolarHBondContact CA-O 3.49Å; H439-A476 PolarHBondContact CD2-O 3.22Å; H439-A476 VanDerWaalsContact CD2-O 3.23Å; P440-A476 WeakPolarHBondContact CD-O 3.35Å
477I98.1Very high97.6Very high0 Ų021.7 Ų21.70%011%0.111CC..  trans-105.5126.1-178.3-67.9170.5000110L379 Y382 R383 L452 I456L379-I477 HydrophobicContact CB-CD1 3.94Å; Y382-I477 HydrophobicContact CG-CD1 4.47Å; Y382-I477 PolarHBondContact O-N 2.8Å; R383-I477 HydrophobicContact CG-CB 3.97Å; R383-I477 HydrophobicContact CG-CD1 4.19Å; R383-I477 HydrophobicContact CG-CG2 4.06Å; L452-I477 HydrophobicContact CD1-CD1 4.35Å; L452-I477 HydrophobicContact CD1-CG1 4.43Å; L452-I477 HydrophobicContact CD2-CD1 4.14Å; L452-I477 HydrophobicContact CD2-CG2 4.36Å; L452-I477 HydrophobicContact CG-CD1 4.44Å; I456-I477 HydrophobicContact CD1-CD1 3.93Å; I456-I477 HydrophobicContact CD1-CG1 3.69Å; I456-I477 HydrophobicContact CG1-CD1 4.02Å; I456-I477 HydrophobicContact CG1-CG1 4.31Å
478F98Very high97.7Very high0 Ų021.9 Ų21.90%011%0.108CC..BIsolated β-bridgetrans-87.4120170.1174.7-129.2000109.8W256 H439 P440 L441 G442 S480 W492 T496 R497W256-F478 HydrophobicContact CB-CE2 4.23Å; W256-F478 AromaticContact CD2-CD2 3.91Å; W256-F478 HydrophobicContact CD2-CD2 3.91Å; W256-F478 AromaticContact CD2-CE2 3.8Å; W256-F478 HydrophobicContact CD2-CE2 3.8Å; W256-F478 AromaticContact CE3-CD2 3.96Å; W256-F478 HydrophobicContact CE3-CD2 3.96Å; W256-F478 AromaticContact CE3-CE2 3.86Å; W256-F478 HydrophobicContact CE3-CE2 3.86Å; W256-F478 HydrophobicContact CG-CD2 4.44Å; W256-F478 AromaticContact CG-CE2 3.99Å; W256-F478 HydrophobicContact CG-CE2 3.99Å; W256-F478 HydrophobicContact CH2-CD2 4.39Å; W256-F478 HydrophobicContact CZ2-CD2 4.36Å; W256-F478 HydrophobicContact CZ3-CD2 4.18Å; W256-F478 HydrophobicContact CZ3-CE2 4.48Å; H439-F478 PolarHBondContact CD2-N 3.42Å; H439-F478 VanDerWaalsContact CD2-N 3.35Å; H439-F478 WeakPolarHBondContact NE2-CB 3.47Å; H439-F478 PolarHBondContact NE2-N 3.21Å; P440-F478 PolarHBondContact O-N 2.94Å; L441-F478 HydrophobicContact CD1-CD1 4.4Å; G442-F478 PolarHBondContact N-O 3.26Å; F478-S480 VanDerWaalsContact C-N 3.31Å; F478-S480 PolarHBondContact O-N 2.61Å; F478-W492 AromaticContact CZ-CE2 3.98Å; F478-W492 HydrophobicContact CZ-CZ2 4.05Å; F478-W492 AromaticContact CZ-NE1 3.72Å; F478-T496 HydrophobicContact CE2-CG2 3.7Å; F478-T496 WeakPolarHBondContact CE2-OG1 3.17Å; F478-T496 HydrophobicContact CZ-CG2 3.56Å; F478-T496 WeakPolarHBondContact CZ-OG1 3.14Å; F478-R497 VanDerWaalsContact CE1-NH1 3.35Å
479P97.3Very high97.8Very high2 Ų221.8 Ų21.81%0.01311%0.108CC..  trans-76.8-8.9-166.830.9-38.8000115.7Q250 G443Q250-P479 VanDerWaalsContact CD-CB 3.44Å; Q250-P479 HydrophobicContact CG-CB 3.88Å; Q250-P479 HydrophobicContact CG-CG 4.24Å; G443-P479 WeakPolarHBondContact CA-O 3.31Å; G443-P479 PolarHBondContact N-O 3.31Å
480S97.7Very high97.7Very high0 Ų018.1 Ų18.10%09%0.088CC..PPolyproline II helixtrans-60.4142.5-175.7-176.80000111.9L441 G443 F478 W492L441-S480 WeakPolarHBondContact CD1-O 3.39Å; L441-S480 VanDerWaalsContact CD2-O 3.25Å; L441-S480 WeakPolarHBondContact CD2-O 3.26Å; L441-S480 WeakPolarHBondContact CG-O 3.29Å; G443-S480 WeakPolarHBondContact CA-O 3.4Å; G443-S480 PolarHBondContact N-O 2.85Å; G443-S480 VanDerWaalsContact N-O 3.14Å; F478-S480 VanDerWaalsContact C-N 3.31Å; F478-S480 PolarHBondContact O-N 2.61Å; S480-W492 PolarHBondContact OG-NE1 3.05Å
481P97.7Very high97.7Very high0 Ų014.4 Ų14.40%08%0.075CC..PPolyproline II helixtrans-61155163.4-20.333.1000111.8L244 Q247 W248 W444L244-P481 HydrophobicContact CD1-CB 3.69Å; L244-P481 HydrophobicContact CD1-CG 3.45Å; L244-P481 VanDerWaalsContact CD1-CG 3.45Å; Q247-P481 HydrophobicContact CB-CG 4Å; W248-P481 HydrophobicContact CD2-CG 4.16Å; W248-P481 HydrophobicContact CG-CG 4.49Å; W248-P481 HydrophobicContact CZ2-CB 4.23Å; W248-P481 HydrophobicContact CZ2-CG 3.91Å; W444-P481 HydrophobicContact CB-CB 4.38Å
482M97.9Very high97.7Very high3 Ų38 Ų82%0.0154%0.041CC..PPolyproline II helixtrans-89.5121.4170-170.177.1-168.600109.9R407 L441 W444 T445 Y484 A512R407-M482 HydrophobicContact CG-SD 4.16Å; L441-M482 HydrophobicContact CD1-CB 4.19Å; L441-M482 HydrophobicContact CD1-SD 3.82Å; L441-M482 HydrophobicContact CD2-CB 3.86Å; W444-M482 VanDerWaalsContact CZ3-O 3.3Å; W444-M482 WeakPolarHBondContact CZ3-O 3.42Å; W444-M482 WeakPolarHBondContact O-CB 3.22Å; W444-M482 PolarHBondContact O-N 3.45Å; T445-M482 HydrophobicContact CG2-CB 4.08Å; M482-Y484 HydrophobicContact CB-CE2 3.93Å; M482-Y484 HydrophobicContact CE-CD1 4.24Å; M482-Y484 HydrophobicContact CE-CE1 4.46Å; M482-Y484 HydrophobicContact CG-CD1 4.01Å; M482-Y484 HydrophobicContact CG-CD2 4Å; M482-Y484 HydrophobicContact CG-CE1 3.68Å; M482-Y484 HydrophobicContact CG-CE2 3.64Å; M482-Y484 HydrophobicContact CG-CG 4.13Å; M482-Y484 VanDerWaalsContact CG-CZ 3.44Å; M482-Y484 WeakPolarHBondContact O-CE2 3.49Å; M482-A512 HydrophobicContact CE-CB 3.35Å
483L98Very high97.7Very high21 Ų217.7 Ų7.711%0.114%0.039CC..  trans-94.7-19.7-179.8-63.7-178.6000113.5W248 I291 F342 H349 S351 A485 E489W248-L483 HydrophobicContact CH2-CD1 4.45Å; W248-L483 HydrophobicContact CZ2-CD1 4.25Å; W248-L483 HydrophobicContact CZ2-CD2 4.13Å; W248-L483 HydrophobicContact CZ2-CG 4.34Å; I291-L483 HydrophobicContact CB-CD1 4.46Å; I291-L483 HydrophobicContact CD1-CD1 3.99Å; I291-L483 HydrophobicContact CG1-CD1 4.29Å; I291-L483 HydrophobicContact CG2-CD1 3.36Å; F342-L483 HydrophobicContact CE1-CB 4.16Å; F342-L483 WeakPolarHBondContact CE1-O 3.49Å; H349-L483 PolarHBondContact CE1-O 3.46Å; S351-L483 WeakPolarHBondContact CB-O 3.49Å; S351-L483 WeakPolarHBondContact OG-CA 3.47Å; S351-L483 PolarHBondContact OG-O 2.82Å; L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 HydrophobicContact CB-CB 4.32Å; L483-A485 PolarHBondContact O-N 3.32Å; L483-E489 PolarHBondContact N-OE1 2.74Å; L483-E489 PolarHBondContact N-OE2 3.13Å
484Y97.7Very high97.6Very high0 Ų07.1 Ų7.10%04%0.035CC..  trans59.936.2-170.8-47.3-92.4000112.8H349 P350 W444 T445 K446 D449 M482 G486 E489 A512 L514 Y525H349-Y484 PolarHBondContact NE2-O 2.93Å; P350-Y484 HydrophobicContact CG-CD2 3.9Å; P350-Y484 HydrophobicContact CG-CE2 4.27Å; W444-Y484 HydrophobicContact CH2-CE2 4.44Å; W444-Y484 HydrophobicContact CZ3-CD2 4.48Å; W444-Y484 AromaticContact CZ3-CE2 3.91Å; W444-Y484 HydrophobicContact CZ3-CE2 3.91Å; T445-Y484 WeakPolarHBondContact CA-OH 3.49Å; T445-Y484 WeakPolarHBondContact CB-OH 3.28Å; K446-Y484 HydrophobicContact CB-CE2 4.05Å; K446-Y484 HydrophobicContact CD-CD1 4.36Å; K446-Y484 HydrophobicContact CD-CE1 3.76Å; K446-Y484 HydrophobicContact CD-CE2 4.25Å; K446-Y484 HydrophobicContact CG-CE1 4.03Å; K446-Y484 HydrophobicContact CG-CE2 4.16Å; K446-Y484 WeakPolarHBondContact CG-OH 3.4Å; K446-Y484 PolarHBondContact N-OH 2.99Å; D449-Y484 PolarHBondContact OD2-OH 3.18Å; M482-Y484 HydrophobicContact CB-CE2 3.93Å; M482-Y484 HydrophobicContact CE-CD1 4.24Å; M482-Y484 HydrophobicContact CE-CE1 4.46Å; M482-Y484 HydrophobicContact CG-CD1 4.01Å; M482-Y484 HydrophobicContact CG-CD2 4Å; M482-Y484 HydrophobicContact CG-CE1 3.68Å; M482-Y484 HydrophobicContact CG-CE2 3.64Å; M482-Y484 HydrophobicContact CG-CG 4.13Å; M482-Y484 VanDerWaalsContact CG-CZ 3.44Å; M482-Y484 WeakPolarHBondContact O-CE2 3.49Å; Y484-G486 VanDerWaalsContact C-N 3.32Å; Y484-G486 PolarHBondContact O-N 3Å; Y484-E489 WeakPolarHBondContact CA-OE2 3.31Å; Y484-E489 PolarHBondContact N-OE2 3.39Å; Y484-A512 CarbonylContact C-O 3.58Å; Y484-A512 WeakPolarHBondContact CA-O 3.45Å; Y484-L514 HydrophobicContact CD1-CB 4.39Å; Y484-L514 VanDerWaalsContact O-CD2 3.32Å; Y484-L514 WeakPolarHBondContact O-CD2 3.45Å; Y484-Y525 WeakPolarHBondContact O-CE2 3.45Å; Y484-Y525 PolarHBondContact O-OH 2.68Å
485A98.1Very high97.4Very high0 Ų06.3 Ų6.30%03%0.031CC..  trans-94.523.9-179.700000113.7I291 I341 F342 L483 R488 E489 Y525I291-A485 HydrophobicContact CD1-CB 4.34Å; I341-A485 HydrophobicContact CG2-CB 3.79Å; F342-A485 HydrophobicContact CD1-CB 3.6Å; F342-A485 HydrophobicContact CE1-CB 3.77Å; L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 HydrophobicContact CB-CB 4.32Å; L483-A485 PolarHBondContact O-N 3.32Å; A485-R488 WeakPolarHBondContact O-CB 3.43Å; A485-R488 PolarHBondContact O-N 3.37Å; A485-E489 HydrophobicContact CB-CB 3.94Å; A485-E489 PolarHBondContact N-OE2 3.35Å; A485-E489 PolarHBondContact O-N 3.47Å; A485-Y525 WeakPolarHBondContact CA-OH 3.35Å
486G97.3Very high97.3Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans49.7-126166.300000114.6Y484 R488 E489 V490 P511 A512Y484-G486 VanDerWaalsContact C-N 3.32Å; Y484-G486 PolarHBondContact O-N 3Å; G486-R488 PolarHBondContact O-N 3.41Å; G486-R488 VanDerWaalsContact O-N 3.1Å; G486-E489 PolarHBondContact O-N 3.47Å; G486-E489 VanDerWaalsContact O-N 3.12Å; G486-V490 PolarHBondContact O-N 2.93Å; G486-P511 CarbonylContact C-O 3.58Å; G486-P511 WeakPolarHBondContact CA-O 3.28Å; G486-A512 WeakPolarHBondContact CA-O 3.48Å; G486-A512 PolarHBondContact N-O 2.95Å
487P97Very high97.2Very high20 Ų205.6 Ų5.613%0.133%0.027CC..Hα-helixtrans-58.6-22.1-179.2-23.933.3000115.7V490 Q491 H529 V533P487-V490 WeakPolarHBondContact O-CG1 3.3Å; P487-Q491 PolarHBondContact O-NE2 3.43Å; P487-H529 HydrophobicContact CB-CB 4.44Å; P487-H529 HydrophobicContact CG-CB 3.64Å; P487-V533 HydrophobicContact CB-CB 4.2Å; P487-V533 HydrophobicContact CB-CG1 4.49Å; P487-V533 HydrophobicContact CB-CG2 4.01Å
488R97.3Very high97Very high40 Ų406 Ų615%0.1513%0.029CC..Hα-helixtrans-80.6-43.8176.4-165.3174.2175.9121.413110.8V272 L273 S290 I291 H340 I341 A485 G486 Q491V272-R488 PolarHBondContact O-NH2 2.72Å; L273-R488 PolarHBondContact O-NH1 2.69Å; L273-R488 PolarHBondContact O-NH2 3.02Å; S290-R488 WeakPolarHBondContact CB-O 3.35Å; S290-R488 WeakPolarHBondContact O-CG 3.46Å; S290-R488 PolarHBondContact O-NE 2.9Å; S290-R488 PolarHBondContact O-NH2 3.22Å; S290-R488 VanDerWaalsContact O-NH2 3.08Å; S290-R488 PolarHBondContact OG-O 3.29Å; I291-R488 HydrophobicContact CD1-CG 4.15Å; H340-R488 PolarHBondContact O-NH1 3.1Å; I341-R488 VanDerWaalsContact O-CD 3.29Å; I341-R488 WeakPolarHBondContact O-CD 3.42Å; A485-R488 WeakPolarHBondContact O-CB 3.43Å; A485-R488 PolarHBondContact O-N 3.37Å; G486-R488 PolarHBondContact O-N 3.41Å; G486-R488 VanDerWaalsContact O-N 3.1Å; R488-Q491 PolarHBondContact O-N 3.41Å
489E98Very high96.8Very high0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-72.6-33-179.6-169.6178-179.400113.1I291 L483 Y484 A485 G486 Q491 W492 H493 A512I291-E489 HydrophobicContact CD1-CB 4.27Å; L483-E489 PolarHBondContact N-OE1 2.74Å; L483-E489 PolarHBondContact N-OE2 3.13Å; Y484-E489 WeakPolarHBondContact CA-OE2 3.31Å; Y484-E489 PolarHBondContact N-OE2 3.39Å; A485-E489 HydrophobicContact CB-CB 3.94Å; A485-E489 PolarHBondContact N-OE2 3.35Å; A485-E489 PolarHBondContact O-N 3.47Å; G486-E489 PolarHBondContact O-N 3.47Å; G486-E489 VanDerWaalsContact O-N 3.12Å; E489-Q491 PolarHBondContact O-N 3.04Å; E489-W492 WeakPolarHBondContact O-CA 3.32Å; E489-W492 VanDerWaalsContact O-CB 3.28Å; E489-W492 WeakPolarHBondContact O-CB 3.48Å; E489-W492 PolarHBondContact O-N 3.39Å; E489-H493 VanDerWaalsContact CG-NE2 3.34Å; E489-H493 WeakPolarHBondContact CG-NE2 3.32Å; E489-H493 PolarHBondContact O-N 2.99Å; E489-H493 IonicContact OE1-CE1 3.52Å; E489-H493 IonicContact OE1-NE2 3.99Å; E489-H493 PolarHBondContact OE1-NE2 3.33Å; E489-A512 HydrophobicContact CB-CB 3.9Å; E489-A512 HydrophobicContact CG-CB 4.15Å
490V96.7Very high96.6Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-60.8-31.5177.771.80000112.4G486 P487 H493 A494 Y505 V507 P511 L534G486-V490 PolarHBondContact O-N 2.93Å; P487-V490 WeakPolarHBondContact O-CG1 3.3Å; V490-H493 PolarHBondContact O-N 3.28Å; V490-A494 VanDerWaalsContact O-CB 3.31Å; V490-A494 WeakPolarHBondContact O-CB 3.46Å; V490-A494 PolarHBondContact O-N 2.93Å; V490-Y505 HydrophobicContact CG2-CE1 4.35Å; V490-V507 HydrophobicContact CG2-CG2 3.85Å; V490-P511 HydrophobicContact CB-CB 4.09Å; V490-P511 HydrophobicContact CB-CG 4Å; V490-P511 HydrophobicContact CG1-CG 4.31Å; V490-P511 HydrophobicContact CG2-CB 3.67Å; V490-P511 HydrophobicContact CG2-CG 3.77Å; V490-L534 HydrophobicContact CG2-CD2 4.25Å
491Q97.2Very high96.4Very high24 Ų245.9 Ų5.911%0.1123%0.028CC..Hα-helixtrans-63.4-42.1171.4-68.3177.370.400111.7N288 P487 R488 E489 A494 R495 V533 L534 A537N288-Q491 PolarHBondContact ND2-OE1 3.49Å; N288-Q491 VanDerWaalsContact ND2-OE1 3.08Å; P487-Q491 PolarHBondContact O-NE2 3.43Å; R488-Q491 PolarHBondContact O-N 3.41Å; E489-Q491 PolarHBondContact O-N 3.04Å; Q491-A494 PolarHBondContact O-N 3.25Å; Q491-R495 WeakPolarHBondContact O-CB 3.26Å; Q491-R495 PolarHBondContact O-N 3.03Å; Q491-V533 HydrophobicContact CG-CG1 4.34Å; Q491-V533 VanDerWaalsContact NE2-CG1 3.28Å; Q491-L534 HydrophobicContact CB-CD1 4.46Å; Q491-L534 HydrophobicContact CG-CD1 4.07Å; Q491-A537 HydrophobicContact CG-CB 4.13Å
492W97.6Very high96.3Very high0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-61.6-47174.8166.1-114.8000111W248 T251 W256 A257 F289 S290 I291 I293 F478 S480 E489 A494 R495 T496W248-W492 HydrophobicContact CZ3-CZ2 4.3Å; T251-W492 HydrophobicContact CG2-CH2 3.97Å; T251-W492 HydrophobicContact CG2-CZ2 3.56Å; W256-W492 WeakPolarHBondContact O-CH2 3.29Å; A257-W492 HydrophobicContact CB-CH2 4.22Å; F289-W492 HydrophobicContact CE1-CE3 4.18Å; F289-W492 AromaticContact CE1-CZ3 3.79Å; F289-W492 HydrophobicContact CE1-CZ3 3.79Å; F289-W492 HydrophobicContact CZ-CH2 4.5Å; F289-W492 AromaticContact CZ-CZ3 3.79Å; F289-W492 HydrophobicContact CZ-CZ3 3.79Å; S290-W492 PolarHBondContact OG-N 3.25Å; I291-W492 HydrophobicContact CB-CB 4.14Å; I291-W492 HydrophobicContact CB-CG 4.17Å; I291-W492 HydrophobicContact CG1-CB 3.58Å; I291-W492 HydrophobicContact CG1-CG 3.97Å; I293-W492 HydrophobicContact CD1-CH2 3.82Å; I293-W492 HydrophobicContact CD1-CZ2 4.23Å; I293-W492 HydrophobicContact CD1-CZ3 4.37Å; F478-W492 AromaticContact CZ-CE2 3.98Å; F478-W492 HydrophobicContact CZ-CZ2 4.05Å; F478-W492 AromaticContact CZ-NE1 3.72Å; S480-W492 PolarHBondContact OG-NE1 3.05Å; E489-W492 WeakPolarHBondContact O-CA 3.32Å; E489-W492 VanDerWaalsContact O-CB 3.28Å; E489-W492 WeakPolarHBondContact O-CB 3.48Å; E489-W492 PolarHBondContact O-N 3.39Å; W492-A494 PolarHBondContact O-N 2.8Å; W492-R495 PolarHBondContact O-N 2.83Å; W492-T496 HydrophobicContact CD2-CG2 3.91Å; W492-T496 HydrophobicContact CE3-CG2 3.91Å; W492-T496 HydrophobicContact CH2-CG2 3.52Å; W492-T496 HydrophobicContact CZ2-CG2 3.52Å; W492-T496 HydrophobicContact CZ3-CG2 3.74Å; W492-T496 WeakPolarHBondContact O-CG2 3.35Å; W492-T496 PolarHBondContact O-N 3.26Å; W492-T496 PolarHBondContact O-OG1 3.43Å
493H97.4Very high96Very high4 Ų46.6 Ų6.62%0.0193%0.032CC..Hα-helixtrans-59.9-44.2176.5-63.1170000112.1Q405 E489 V490 T496 R497 Y505Q405-H493 HydrophobicContact CG-CB 4.15Å; Q405-H493 WeakPolarHBondContact CG-ND1 3.05Å; E489-H493 VanDerWaalsContact CG-NE2 3.34Å; E489-H493 WeakPolarHBondContact CG-NE2 3.32Å; E489-H493 PolarHBondContact O-N 2.99Å; E489-H493 IonicContact OE1-CE1 3.52Å; E489-H493 IonicContact OE1-NE2 3.99Å; E489-H493 PolarHBondContact OE1-NE2 3.33Å; V490-H493 PolarHBondContact O-N 3.28Å; H493-T496 PolarHBondContact O-OG1 3.08Å; H493-R497 VanDerWaalsContact O-CD 3.31Å; H493-R497 WeakPolarHBondContact O-CD 3.39Å; H493-R497 PolarHBondContact O-N 2.88Å; H493-R497 PolarHBondContact O-NH1 3.22Å; H493-Y505 WeakPolarHBondContact CB-OH 3.47Å
494A96.1Very high95.8Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-66.2-47.2179.900000111.9V490 Q491 W492 T496 R497 M498 Y505 L534 L540 L543V490-A494 VanDerWaalsContact O-CB 3.31Å; V490-A494 WeakPolarHBondContact O-CB 3.46Å; V490-A494 PolarHBondContact O-N 2.93Å; Q491-A494 PolarHBondContact O-N 3.25Å; W492-A494 PolarHBondContact O-N 2.8Å; A494-T496 VanDerWaalsContact C-N 3.35Å; A494-T496 PolarHBondContact O-N 3.42Å; A494-R497 PolarHBondContact O-N 3Å; A494-R497 VanDerWaalsContact O-N 3.09Å; A494-M498 PolarHBondContact O-N 2.95Å; A494-Y505 HydrophobicContact CB-CD1 4.08Å; A494-Y505 HydrophobicContact CB-CD2 4.18Å; A494-Y505 HydrophobicContact CB-CE1 4.02Å; A494-Y505 HydrophobicContact CB-CE2 4.12Å; A494-Y505 HydrophobicContact CB-CG 4.15Å; A494-L534 HydrophobicContact CB-CD1 3.48Å; A494-L534 VanDerWaalsContact CB-CD1 3.48Å; A494-L534 HydrophobicContact CB-CD2 3.93Å; A494-L534 HydrophobicContact CB-CG 4.32Å; A494-L540 HydrophobicContact CB-CD1 4.41Å; A494-L543 HydrophobicContact CB-CD2 3.63Å; A494-L543 WeakPolarHBondContact O-CD2 3.34Å
495R94.8Very high95.7Very high3 Ų36 Ų61%0.0113%0.028CC..Hα-helixtrans-56.1-44.7176.4-178-164.4-178.8-80.1-5.1112.7W256 T258 N288 Q491 W492 R497 M498 L499 L540W256-R495 PolarHBondContact O-NH1 3.47Å; W256-R495 VanDerWaalsContact O-NH1 3.14Å; T258-R495 PolarHBondContact O-NH2 2.85Å; N288-R495 WeakPolarHBondContact O-CD 3.41Å; N288-R495 PolarHBondContact O-NE 2.93Å; Q491-R495 WeakPolarHBondContact O-CB 3.26Å; Q491-R495 PolarHBondContact O-N 3.03Å; W492-R495 PolarHBondContact O-N 2.83Å; R495-R497 VanDerWaalsContact C-N 3.26Å; R495-R497 PolarHBondContact O-N 3.41Å; R495-M498 WeakPolarHBondContact O-CB 3.3Å; R495-M498 PolarHBondContact O-N 3.32Å; R495-L499 PolarHBondContact O-N 2.74Å; R495-L499 VanDerWaalsContact O-N 3.14Å; R495-L540 HydrophobicContact CB-CD2 3.86Å; R495-L540 HydrophobicContact CG-CD2 4.21Å
496T96.1Very high95.5Very high0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-67.3-30.217956.20000112.1W256 F478 W492 H493 A494 L499 A500W256-T496 HydrophobicContact CB-CG2 4.21Å; W256-T496 HydrophobicContact CE3-CG2 4.42Å; W256-T496 VanDerWaalsContact CZ3-O 3.31Å; W256-T496 WeakPolarHBondContact CZ3-O 3.06Å; F478-T496 HydrophobicContact CE2-CG2 3.7Å; F478-T496 WeakPolarHBondContact CE2-OG1 3.17Å; F478-T496 HydrophobicContact CZ-CG2 3.56Å; F478-T496 WeakPolarHBondContact CZ-OG1 3.14Å; W492-T496 HydrophobicContact CD2-CG2 3.91Å; W492-T496 HydrophobicContact CE3-CG2 3.91Å; W492-T496 HydrophobicContact CH2-CG2 3.52Å; W492-T496 HydrophobicContact CZ2-CG2 3.52Å; W492-T496 HydrophobicContact CZ3-CG2 3.74Å; W492-T496 WeakPolarHBondContact O-CG2 3.35Å; W492-T496 PolarHBondContact O-N 3.26Å; W492-T496 PolarHBondContact O-OG1 3.43Å; H493-T496 PolarHBondContact O-OG1 3.08Å; A494-T496 VanDerWaalsContact C-N 3.35Å; A494-T496 PolarHBondContact O-N 3.42Å; T496-L499 WeakPolarHBondContact O-CB 3.25Å; T496-L499 PolarHBondContact O-N 3.35Å; T496-A500 PolarHBondContact O-N 3.27Å
497R96.2Very high95.3Very high0 Ų06.1 Ų6.10%03%0.029CC..Hα-helixtrans-70.9-34.6173.1-9054.5173-151.83.4112.1A403 H439 F478 H493 A494 R495 L499 A500 G501 A502 Y505A403-R497 HydrophobicContact CB-CB 3.93Å; A403-R497 HydrophobicContact CB-CG 3.46Å; A403-R497 VanDerWaalsContact CB-CG 3.46Å; H439-R497 PolarHBondContact ND1-NE 2.97Å; H439-R497 PolarHBondContact O-NH2 3.13Å; F478-R497 VanDerWaalsContact CE1-NH1 3.35Å; H493-R497 VanDerWaalsContact O-CD 3.31Å; H493-R497 WeakPolarHBondContact O-CD 3.39Å; H493-R497 PolarHBondContact O-N 2.88Å; H493-R497 PolarHBondContact O-NH1 3.22Å; A494-R497 PolarHBondContact O-N 3Å; A494-R497 VanDerWaalsContact O-N 3.09Å; R495-R497 VanDerWaalsContact C-N 3.26Å; R495-R497 PolarHBondContact O-N 3.41Å; R497-L499 VanDerWaalsContact C-N 3.28Å; R497-L499 PolarHBondContact O-N 2.92Å; R497-A500 CarbonylContact O-C 3.59Å; R497-A500 WeakPolarHBondContact O-CA 3.08Å; R497-A500 WeakPolarHBondContact O-CB 3.35Å; R497-A500 PolarHBondContact O-N 2.99Å; R497-A500 VanDerWaalsContact O-N 3.12Å; R497-G501 PolarHBondContact O-N 3.36Å; R497-G501 VanDerWaalsContact O-N 3.14Å; R497-A502 HydrophobicContact CB-CB 3.86Å; R497-A502 VanDerWaalsContact O-CB 3.24Å; R497-A502 WeakPolarHBondContact O-CB 2.95Å; R497-A502 PolarHBondContact O-N 3.4Å; R497-Y505 HydrophobicContact CB-CD2 4.15Å; R497-Y505 HydrophobicContact CB-CE2 4.36Å; R497-Y505 HydrophobicContact CG-CD2 4.46Å; R497-Y505 HydrophobicContact CG-CE2 4.34Å
498M92.7Very high94.9Very high8 Ų86 Ų64%0.0393%0.031CC..Hα-helixtrans-58.5-41.3169-176.4-17766.100111.4N208 A494 R495 A500 G501 L540 N542 L543N208-M498 PolarHBondContact ND2-O 3.05Å; A494-M498 PolarHBondContact O-N 2.95Å; R495-M498 WeakPolarHBondContact O-CB 3.3Å; R495-M498 PolarHBondContact O-N 3.32Å; M498-A500 VanDerWaalsContact C-N 3.33Å; M498-A500 PolarHBondContact O-N 3.48Å; M498-G501 WeakPolarHBondContact O-CA 3.48Å; M498-G501 PolarHBondContact O-N 3.12Å; M498-L540 HydrophobicContact CE-CD2 4.21Å; M498-N542 HydrophobicContact SD-CB 4.14Å; M498-L543 HydrophobicContact CB-CD1 4.43Å
499L93Very high94.4Very high1 Ų111.5 Ų11.51%0.0055%0.052CC..Hα-helixtrans-65.6-33.3174-70.8169.4000113.1N208 P213 W256 T258 H390 R495 T496 R497 G501N208-L499 PolarHBondContact ND2-O 3.28Å; P213-L499 HydrophobicContact CB-CD2 3.91Å; P213-L499 HydrophobicContact CG-CD2 4.19Å; W256-L499 WeakPolarHBondContact O-CD1 3.16Å; T258-L499 HydrophobicContact CG2-CD2 4.42Å; H390-L499 PolarHBondContact CE1-O 2.92Å; H390-L499 PolarHBondContact NE2-O 3.35Å; R495-L499 PolarHBondContact O-N 2.74Å; R495-L499 VanDerWaalsContact O-N 3.14Å; T496-L499 WeakPolarHBondContact O-CB 3.25Å; T496-L499 PolarHBondContact O-N 3.35Å; R497-L499 VanDerWaalsContact C-N 3.28Å; R497-L499 PolarHBondContact O-N 2.92Å; L499-G501 PolarHBondContact O-N 2.9Å
500A95Very high94.1Very high0 Ų013 Ų130%06%0.059CC..THydrogen-bonded Turntrans-72.3-4.5170.200000114W256 L389 H390 L437 T496 R497 M498W256-A500 HydrophobicContact CH2-CB 4.02Å; W256-A500 HydrophobicContact CZ3-CB 3.81Å; L389-A500 HydrophobicContact CD1-CB 3.66Å; H390-A500 PolarHBondContact CD2-O 3.37Å; H390-A500 VanDerWaalsContact CD2-O 3.32Å; L437-A500 HydrophobicContact CD2-CB 3.73Å; T496-A500 PolarHBondContact O-N 3.27Å; R497-A500 CarbonylContact O-C 3.59Å; R497-A500 WeakPolarHBondContact O-CA 3.08Å; R497-A500 WeakPolarHBondContact O-CB 3.35Å; R497-A500 PolarHBondContact O-N 2.99Å; R497-A500 VanDerWaalsContact O-N 3.12Å; M498-A500 VanDerWaalsContact C-N 3.33Å; M498-A500 PolarHBondContact O-N 3.48Å
501G92.1Very high93.9Very high0 Ų013.9 Ų13.90%07%0.065CC..THydrogen-bonded Turntrans98.26.9179.100000115.3F210 V401 R497 M498 L499 Q503F210-G501 WeakPolarHBondContact CB-O 3.38Å; V401-G501 WeakPolarHBondContact CB-O 3.33Å; R497-G501 PolarHBondContact O-N 3.36Å; R497-G501 VanDerWaalsContact O-N 3.14Å; M498-G501 WeakPolarHBondContact O-CA 3.48Å; M498-G501 PolarHBondContact O-N 3.12Å; L499-G501 PolarHBondContact O-N 2.9Å; G501-Q503 PolarHBondContact O-N 3.31Å
502A95.1Very high93.8Very high2 Ų213.2 Ų13.22%0.0176%0.064CC..  trans-66.5132.3173.900000111.2V401 A403 R497 L543V401-A502 HydrophobicContact CG1-CB 4.45Å; A403-A502 HydrophobicContact CB-CB 3.8Å; R497-A502 HydrophobicContact CB-CB 3.86Å; R497-A502 VanDerWaalsContact O-CB 3.24Å; R497-A502 WeakPolarHBondContact O-CB 2.95Å; R497-A502 PolarHBondContact O-N 3.4Å; A502-L543 HydrophobicContact CB-CD1 4.19Å; A502-L543 WeakPolarHBondContact O-CD1 3.43Å
503Q91.6Very high93.7Very high15 Ų1513.4 Ų13.47%0.077%0.066CC..SBendtrans-105.6-20.3175.9-63.8159.7-74.600111.7N53 F210 C400 V401 G501 K544N53-Q503 PolarHBondContact ND2-NE2 3.45Å; F210-Q503 VanDerWaalsContact O-CG 3.27Å; F210-Q503 WeakPolarHBondContact O-CG 3.37Å; C400-Q503 VanDerWaalsContact CA-OE1 3.28Å; V401-Q503 PolarHBondContact O-N 2.9Å; G501-Q503 PolarHBondContact O-N 3.31Å; Q503-K544 PolarHBondContact O-N 3.29Å
504Y94.6Very high93.6Very high7 Ų713.9 Ų13.93%0.0277%0.069CC..EExtended strand (participates in β ladder)trans-125.6141.5173.3-62.3-102.9000109.7C400 V401 F402 A403 L425 Y431 K544 I546C400-Y504 WeakPolarHBondContact SG-CD2 3.33Å; C400-Y504 WeakPolarHBondContact SG-CE2 3.27Å; V401-Y504 PolarHBondContact O-N 2.94Å; F402-Y504 CarbonylContact C-O 3.53Å; F402-Y504 VanDerWaalsContact CA-O 3.24Å; F402-Y504 WeakPolarHBondContact CA-O 3.2Å; A403-Y504 PolarHBondContact N-O 3.44Å; L425-Y504 HydrophobicContact CD2-CD1 3.89Å; L425-Y504 HydrophobicContact CD2-CD2 3.72Å; L425-Y504 HydrophobicContact CD2-CE1 3.65Å; L425-Y504 HydrophobicContact CD2-CE2 3.51Å; L425-Y504 HydrophobicContact CD2-CG 3.93Å; L425-Y504 VanDerWaalsContact CD2-CZ 3.48Å; Y431-Y504 AromaticContact CE2-CE2 3.78Å; Y431-Y504 HydrophobicContact CE2-CE2 3.78Å; Y431-Y504 AromaticContact CE2-CZ 3.94Å; Y431-Y504 WeakPolarHBondContact CE2-OH 3.48Å; Y431-Y504 AromaticContact CZ-CE2 4Å; Y431-Y504 PolarHBondContact OH-OH 3.24Å; Y504-K544 CarbonylContact C-O 3.55Å; Y504-K544 VanDerWaalsContact CA-O 3.28Å; Y504-K544 WeakPolarHBondContact CA-O 3.46Å; Y504-K544 HydrophobicContact CD1-CB 3.6Å; Y504-K544 HydrophobicContact CD1-CD 4.03Å; Y504-K544 HydrophobicContact CD1-CG 4.46Å; Y504-K544 HydrophobicContact CE1-CB 3.82Å; Y504-K544 HydrophobicContact CE1-CD 3.33Å; Y504-K544 HydrophobicContact CE1-CG 4.22Å; Y504-K544 HydrophobicContact CE2-CD 4.45Å; Y504-K544 HydrophobicContact CG-CB 4.23Å; Y504-K544 PolarHBondContact OH-NZ 2.87Å; Y504-K544 VanDerWaalsContact OH-NZ 3.09Å; Y504-I546 HydrophobicContact CD1-CD1 3.92Å; Y504-I546 HydrophobicContact CD1-CG1 4.21Å; Y504-I546 HydrophobicContact CG-CD1 4.32Å
505Y95.6Very high93.5Very high3 Ų317 Ų171%0.0129%0.089CC..EExtended strand (participates in β ladder)trans-131.6117.8-179.3-174.7-92.1000110.4A403 Q405 V490 H493 A494 R497 V507 L534 L543 K544 I546A403-Y505 HydrophobicContact CB-CD2 4.36Å; Q405-Y505 HydrophobicContact CB-CE2 4.25Å; Q405-Y505 WeakPolarHBondContact CB-OH 3.41Å; V490-Y505 HydrophobicContact CG2-CE1 4.35Å; H493-Y505 WeakPolarHBondContact CB-OH 3.47Å; A494-Y505 HydrophobicContact CB-CD1 4.08Å; A494-Y505 HydrophobicContact CB-CD2 4.18Å; A494-Y505 HydrophobicContact CB-CE1 4.02Å; A494-Y505 HydrophobicContact CB-CE2 4.12Å; A494-Y505 HydrophobicContact CB-CG 4.15Å; R497-Y505 HydrophobicContact CB-CD2 4.15Å; R497-Y505 HydrophobicContact CB-CE2 4.36Å; R497-Y505 HydrophobicContact CG-CD2 4.46Å; R497-Y505 HydrophobicContact CG-CE2 4.34Å; Y505-V507 HydrophobicContact CD1-CB 4.19Å; Y505-V507 HydrophobicContact CE1-CB 4.04Å; Y505-V507 HydrophobicContact CE1-CG2 4.49Å; Y505-L534 HydrophobicContact CD1-CD2 3.68Å; Y505-L534 HydrophobicContact CE1-CD2 3.79Å; Y505-L543 HydrophobicContact CD2-CD2 4.5Å; Y505-L543 HydrophobicContact CG-CD2 4.19Å; Y505-K544 PolarHBondContact N-O 2.82Å; Y505-I546 PolarHBondContact O-N 3.47Å
506I94.4Very high93.6Very high1 Ų119.3 Ų19.31%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-81.5119.1173.5-56.5168.6000107.1F402 A403 F404 M418 T421 I546F402-I506 HydrophobicContact CD2-CD1 3.96Å; F402-I506 HydrophobicContact CE2-CD1 4.18Å; A403-I506 PolarHBondContact O-N 2.9Å; F404-I506 HydrophobicContact CB-CB 4.43Å; F404-I506 HydrophobicContact CB-CD1 4.46Å; F404-I506 HydrophobicContact CD2-CB 3.65Å; F404-I506 HydrophobicContact CD2-CG2 3.56Å; F404-I506 WeakPolarHBondContact CD2-O 3.33Å; F404-I506 HydrophobicContact CE2-CB 4.35Å; F404-I506 HydrophobicContact CE2-CG2 3.77Å; F404-I506 HydrophobicContact CG-CB 4.41Å; M418-I506 HydrophobicContact CG-CD1 4.14Å; T421-I506 HydrophobicContact CG2-CD1 3.97Å; T421-I506 HydrophobicContact CG2-CG1 4.16Å; T421-I506 VanDerWaalsContact OG1-CD1 3.31Å; T421-I506 WeakPolarHBondContact OG1-CD1 3.49Å; I506-I546 HydrophobicContact CG1-CB 4.37Å; I506-I546 HydrophobicContact CG1-CD1 4.47Å
507V92.5Very high93.5Very high1 Ų120 Ų201%0.00611%0.105CC..  trans-102.4134.3175.860.10000109.6V490 Y505 P511 A531 L534 I545 I546 F548V490-V507 HydrophobicContact CG2-CG2 3.85Å; Y505-V507 HydrophobicContact CD1-CB 4.19Å; Y505-V507 HydrophobicContact CE1-CB 4.04Å; Y505-V507 HydrophobicContact CE1-CG2 4.49Å; V507-P511 HydrophobicContact CG2-CB 4.06Å; V507-P511 HydrophobicContact CG2-CG 3.79Å; V507-A531 HydrophobicContact CG1-CB 3.63Å; V507-A531 HydrophobicContact CG2-CB 4.13Å; V507-L534 HydrophobicContact CB-CD2 4.17Å; V507-L534 HydrophobicContact CG2-CD2 4.3Å; V507-I545 HydrophobicContact CB-CG2 4.5Å; V507-I545 HydrophobicContact CG1-CG2 3.73Å; V507-I546 PolarHBondContact N-O 3.41Å; V507-F548 WeakPolarHBondContact O-CA 3.37Å; V507-F548 WeakPolarHBondContact O-CB 3.34Å; V507-F548 PolarHBondContact O-N 3.12Å
508G88Confident93.4Very high17 Ų1723.7 Ų23.718%0.17512%0.124CC..  trans-82.2174.6177.700000114.2P511G508-P511 WeakPolarHBondContact O-CD 3.19Å
509R87.7Confident93.3Very high156 Ų15626.7 Ų26.759%0.58916%0.157SC*.SBendtrans-72139.6163.9178.3177177.5-100.7-4.5109.8P511 P527 F548R509-P511 VanDerWaalsContact C-N 3.34Å; R509-P527 HydrophobicContact CG-CB 3.66Å; R509-F548 HydrophobicContact CB-CD1 4.21Å; R509-F548 HydrophobicContact CB-CE1 4.31Å
510D91.5Very high93.2Very high30 Ų3030.7 Ų30.716%0.1618%0.182CC..SBendtrans45.352.5-176.7-169.436.8000113.1A512 G513 P527D510-A512 PolarHBondContact O-N 2.96Å; D510-G513 PolarHBondContact O-N 2.78Å; D510-G513 WeakPolarHBondContact OD1-CA 3.44Å; D510-P527 HydrophobicContact CB-CB 4.13Å; D510-P527 PolarHBondContact N-O 3.38Å
511P93Very high92.8Very high19 Ų1933.4 Ų33.412%0.12321%0.21CC..THydrogen-bonded Turntrans-67.7130.2-174.532-34.5000109.2G486 V490 V507 G508 R509 G513G486-P511 CarbonylContact C-O 3.58Å; G486-P511 WeakPolarHBondContact CA-O 3.28Å; V490-P511 HydrophobicContact CB-CB 4.09Å; V490-P511 HydrophobicContact CB-CG 4Å; V490-P511 HydrophobicContact CG1-CG 4.31Å; V490-P511 HydrophobicContact CG2-CB 3.67Å; V490-P511 HydrophobicContact CG2-CG 3.77Å; V507-P511 HydrophobicContact CG2-CB 4.06Å; V507-P511 HydrophobicContact CG2-CG 3.79Å; G508-P511 WeakPolarHBondContact O-CD 3.19Å; R509-P511 VanDerWaalsContact C-N 3.34Å; P511-G513 PolarHBondContact O-N 2.74Å
512A95.4Very high92.8Very high10 Ų1038 Ų388%0.08324%0.237CC..THydrogen-bonded Turntrans57.620.7-174.900000116.1M482 Y484 G486 E489 D510M482-A512 HydrophobicContact CE-CB 3.35Å; Y484-A512 CarbonylContact C-O 3.58Å; Y484-A512 WeakPolarHBondContact CA-O 3.45Å; G486-A512 WeakPolarHBondContact CA-O 3.48Å; G486-A512 PolarHBondContact N-O 2.95Å; E489-A512 HydrophobicContact CB-CB 3.9Å; E489-A512 HydrophobicContact CG-CB 4.15Å; D510-A512 PolarHBondContact O-N 2.96Å
513G95.4Very high92.8Very high5 Ų540.5 Ų40.55%0.05225%0.251CS..  trans-84.9174.117400000114.4D510 P511D510-G513 PolarHBondContact O-N 2.78Å; D510-G513 WeakPolarHBondContact OD1-CA 3.44Å; P511-G513 PolarHBondContact O-N 2.74Å
514L94.7Very high93.1Very high13 Ų1341.3 Ų41.37%0.06826%0.255CS..  trans-150159.8170.672.8153.1000109.3H349 Y484 L524 Y525H349-L514 WeakPolarHBondContact NE2-CD2 3.34Å; Y484-L514 HydrophobicContact CD1-CB 4.39Å; Y484-L514 VanDerWaalsContact O-CD2 3.32Å; Y484-L514 WeakPolarHBondContact O-CD2 3.45Å; L514-L524 HydrophobicContact CD2-CB 4.49Å; L514-L524 HydrophobicContact CD2-CD2 3.88Å; L514-L524 WeakPolarHBondContact O-CB 3.48Å; L514-L524 PolarHBondContact O-N 3.29Å; L514-Y525 HydrophobicContact CD2-CE2 4.22Å
515P94.8Very high93.2Very high67 Ų6742.4 Ų42.444%0.43526%0.26SS..BIsolated β-bridgetrans-56.8146.8163.7-23.835000111.4
516H96.2Very high93.3Very high50 Ų5045.8 Ų45.823%0.23128%0.278CS..  trans-56.2131.6178.9-167.7-64.1000110N518 G519 V522 L524H516-N518 WeakPolarHBondContact ND1-CB 3.44Å; H516-N518 PolarHBondContact ND1-N 3.39Å; H516-N518 VanDerWaalsContact ND1-N 3.19Å; H516-N518 PolarHBondContact ND1-ND2 3.42Å; H516-N518 PolarHBondContact ND1-OD1 2.99Å; H516-N518 VanDerWaalsContact ND1-OD1 3.12Å; H516-N518 PolarHBondContact O-N 3.31Å; H516-N518 PolarHBondContact O-OD1 3.27Å; H516-G519 PolarHBondContact O-N 2.76Å; H516-V522 VanDerWaalsContact CB-O 3.31Å; H516-V522 WeakPolarHBondContact CB-O 3.29Å; H516-V522 PolarHBondContact N-O 3.39Å; H516-L524 VanDerWaalsContact CD2-CD1 3.47Å; H516-L524 WeakPolarHBondContact CD2-CD1 3.39Å
517P94.4Very high93.2Very high16 Ų1647.1 Ų47.110%0.10429%0.287CS..THydrogen-bonded Turntrans-67.33.9-174.228.2-39.4000115.3H346 N348 H349 G519H346-P517 HydrophobicContact CB-CB 4.49Å; H346-P517 HydrophobicContact CB-CG 3.66Å; H346-P517 PolarHBondContact CE1-O 2.94Å; N348-P517 HydrophobicContact CB-CB 3.9Å; N348-P517 WeakPolarHBondContact CB-O 3.32Å; N348-P517 PolarHBondContact ND2-O 3.36Å; H349-P517 HydrophobicContact CB-CB 4.32Å; H349-P517 HydrophobicContact CB-CG 4.18Å; P517-G519 VanDerWaalsContact C-N 3.33Å
518N94.5Very high93.2Very high77 Ų7749.1 Ų49.141%0.41230%0.3SS..THydrogen-bonded Turntrans-89.1-1.5176.867.5-1000112.4H516 T520H516-N518 WeakPolarHBondContact ND1-CB 3.44Å; H516-N518 PolarHBondContact ND1-N 3.39Å; H516-N518 VanDerWaalsContact ND1-N 3.19Å; H516-N518 PolarHBondContact ND1-ND2 3.42Å; H516-N518 PolarHBondContact ND1-OD1 2.99Å; H516-N518 VanDerWaalsContact ND1-OD1 3.12Å; H516-N518 PolarHBondContact O-N 3.31Å; H516-N518 PolarHBondContact O-OD1 3.27Å; N518-T520 VanDerWaalsContact C-N 3.34Å; N518-T520 WeakPolarHBondContact ND2-CG2 3.47Å; N518-T520 PolarHBondContact O-N 2.94Å; N518-T520 WeakPolarHBondContact OD1-CB 3.5Å; N518-T520 VanDerWaalsContact OD1-CG2 3.26Å; N518-T520 WeakPolarHBondContact OD1-CG2 3.4Å; N518-T520 PolarHBondContact OD1-N 2.85Å; N518-T520 PolarHBondContact OD1-OG1 2.87Å
519G89.8Confident93.5Very high71 Ų7152.7 Ų52.773%0.73231%0.312SS*.THydrogen-bonded Turntrans80.86.1178.200000115.3H516 P517 G521H516-G519 PolarHBondContact O-N 2.76Å; P517-G519 VanDerWaalsContact C-N 3.33Å; G519-G521 PolarHBondContact O-N 3.34Å
520T91.2Very high93.9Very high84 Ų8445.3 Ų45.352%0.51529%0.285SS..THydrogen-bonded Turntrans-68.1-17.2178.555.50000113.9N518 V522N518-T520 VanDerWaalsContact C-N 3.34Å; N518-T520 WeakPolarHBondContact ND2-CG2 3.47Å; N518-T520 PolarHBondContact O-N 2.94Å; N518-T520 WeakPolarHBondContact OD1-CB 3.5Å; N518-T520 VanDerWaalsContact OD1-CG2 3.26Å; N518-T520 WeakPolarHBondContact OD1-CG2 3.4Å; N518-T520 PolarHBondContact OD1-N 2.85Å; N518-T520 PolarHBondContact OD1-OG1 2.87Å; T520-V522 PolarHBondContact O-N 3.48Å
521G86.6Confident93.9Very high57 Ų5745 Ų4559%0.58829%0.286SS*.  trans77.4-2.4-176.600000114.6G519G519-G521 PolarHBondContact O-N 3.34Å
522V92.6Very high94Very high96 Ų9649.4 Ų49.458%0.58230%0.304SS*.  trans-74.7137.8171.3-178.30000109H516 T520H516-V522 VanDerWaalsContact CB-O 3.31Å; H516-V522 WeakPolarHBondContact CB-O 3.29Å; H516-V522 PolarHBondContact N-O 3.39Å; T520-V522 PolarHBondContact O-N 3.48Å
523D95.1Very high93.9Very high55 Ų5551.2 Ų51.229%0.29431%0.314SS..BIsolated β-bridgetrans-60.7137.3175.4-63.8-32.5000110.6Y525D523-Y525 WeakPolarHBondContact CB-O 3.17Å; D523-Y525 PolarHBondContact O-N 3.06Å
524L97.4Very high93.8Very high32 Ų3251.1 Ų51.117%0.16831%0.312CS..SBendtrans-63.2-33.8179.9177.860.1000111.7T344 L514 H516T344-L524 HydrophobicContact CG2-CD1 4.19Å; T344-L524 HydrophobicContact CG2-CD2 4.02Å; L514-L524 HydrophobicContact CD2-CB 4.49Å; L514-L524 HydrophobicContact CD2-CD2 3.88Å; L514-L524 WeakPolarHBondContact O-CB 3.48Å; L514-L524 PolarHBondContact O-N 3.29Å; H516-L524 VanDerWaalsContact CD2-CD1 3.47Å; H516-L524 WeakPolarHBondContact CD2-CD1 3.39Å
525Y97.3Very high93.7Very high31 Ų3154.4 Ų54.412%0.12234%0.336CS..SBendtrans-116.4151.9179-48.3-75.2000109.8F342 Y484 A485 L514 D523F342-Y525 WeakPolarHBondContact O-CE1 3.5Å; F342-Y525 PolarHBondContact O-OH 2.7Å; Y484-Y525 WeakPolarHBondContact O-CE2 3.45Å; Y484-Y525 PolarHBondContact O-OH 2.68Å; A485-Y525 WeakPolarHBondContact CA-OH 3.35Å; L514-Y525 HydrophobicContact CD2-CE2 4.22Å; D523-Y525 WeakPolarHBondContact CB-O 3.17Å; D523-Y525 PolarHBondContact O-N 3.06Å
526D95.8Very high93.5Very high74 Ų7457.9 Ų57.940%0.39635%0.348SS..  trans-62.6130.7169.5178.1-81000109.8S528 H529D526-S528 PolarHBondContact O-N 3.47Å; D526-S528 WeakPolarHBondContact OD1-CA 3.47Å; D526-S528 VanDerWaalsContact OD1-CB 3.26Å; D526-S528 WeakPolarHBondContact OD1-CB 3.42Å; D526-S528 PolarHBondContact OD1-N 3.14Å; D526-S528 PolarHBondContact OD1-OG 3.34Å; D526-H529 HydrophobicContact CB-CB 4.32Å; D526-H529 PolarHBondContact O-N 2.66Å; D526-H529 IonicContact OD1-CD2 2.76Å; D526-H529 PolarHBondContact OD1-N 3.1Å; D526-H529 IonicContact OD1-NE2 3.71Å
527P92.5Very high93.4Very high29 Ų2956.2 Ų56.219%0.18834%0.343CS..THydrogen-bonded Turntrans-59.8-16.4-175-27.334.5000115.8R509 D510R509-P527 HydrophobicContact CG-CB 3.66Å; D510-P527 HydrophobicContact CB-CB 4.13Å; D510-P527 PolarHBondContact N-O 3.38Å
528S93Very high93.1Very high42 Ų4258.8 Ų58.829%0.29436%0.359SS..THydrogen-bonded Turntrans-96.9-18.7178.777.10000113.8D526 G530 A531 K532D526-S528 PolarHBondContact O-N 3.47Å; D526-S528 WeakPolarHBondContact OD1-CA 3.47Å; D526-S528 VanDerWaalsContact OD1-CB 3.26Å; D526-S528 WeakPolarHBondContact OD1-CB 3.42Å; D526-S528 PolarHBondContact OD1-N 3.14Å; D526-S528 PolarHBondContact OD1-OG 3.34Å; S528-G530 VanDerWaalsContact C-N 3.32Å; S528-G530 PolarHBondContact O-N 3.2Å; S528-A531 PolarHBondContact O-N 2.55Å; S528-K532 WeakPolarHBondContact O-CG 3.46Å; S528-K532 PolarHBondContact O-N 3.48Å; S528-K532 VanDerWaalsContact O-N 3.15Å; S528-K532 WeakPolarHBondContact OG-CE 3.04Å; S528-K532 PolarHBondContact OG-NZ 3.35Å
529H95.6Very high92.6Very high92 Ų9256.9 Ų56.943%0.42636%0.358SS..Hα-helixtrans-63-37.7-172.1-78.2-177000112.7P487 D526 A531 K532 V533P487-H529 HydrophobicContact CB-CB 4.44Å; P487-H529 HydrophobicContact CG-CB 3.64Å; D526-H529 HydrophobicContact CB-CB 4.32Å; D526-H529 PolarHBondContact O-N 2.66Å; D526-H529 IonicContact OD1-CD2 2.76Å; D526-H529 PolarHBondContact OD1-N 3.1Å; D526-H529 IonicContact OD1-NE2 3.71Å; H529-A531 PolarHBondContact O-N 2.95Å; H529-K532 PolarHBondContact O-N 2.85Å; H529-V533 WeakPolarHBondContact O-CB 3.45Å; H529-V533 VanDerWaalsContact O-CG2 3.28Å; H529-V533 WeakPolarHBondContact O-CG2 3.08Å; H529-V533 PolarHBondContact O-N 3.28Å
530G94.5Very high92.5Very high1 Ų153.9 Ų53.91%0.0133%0.325CS..Hα-helixtrans-58.9-47.7179.700000113.1S528 L534S528-G530 VanDerWaalsContact C-N 3.32Å; S528-G530 PolarHBondContact O-N 3.2Å; G530-L534 VanDerWaalsContact O-CB 3.26Å; G530-L534 WeakPolarHBondContact O-CB 3.18Å; G530-L534 PolarHBondContact O-N 3.34Å; G530-L534 VanDerWaalsContact O-N 3.09Å
531A92.2Very high91.5Very high23 Ų2355 Ų5519%0.1934%0.337CS..Hα-helixtrans-66.3-42.6177.200000112.4V507 S528 H529 L534 S535V507-A531 HydrophobicContact CG1-CB 3.63Å; V507-A531 HydrophobicContact CG2-CB 4.13Å; S528-A531 PolarHBondContact O-N 2.55Å; H529-A531 PolarHBondContact O-N 2.95Å; A531-L534 PolarHBondContact O-N 3.14Å; A531-S535 PolarHBondContact O-N 3.39Å
532K94.3Very high90.9Very high113 Ų11355.9 Ų55.949%0.49133%0.328SS..Hα-helixtrans-62.8-51.2179.1-73.5172.9176.6164.90111.9S528 H529 L534 S535 M536S528-K532 WeakPolarHBondContact O-CG 3.46Å; S528-K532 PolarHBondContact O-N 3.48Å; S528-K532 VanDerWaalsContact O-N 3.15Å; S528-K532 WeakPolarHBondContact OG-CE 3.04Å; S528-K532 PolarHBondContact OG-NZ 3.35Å; H529-K532 PolarHBondContact O-N 2.85Å; K532-L534 VanDerWaalsContact C-N 3.29Å; K532-L534 PolarHBondContact O-N 3.28Å; K532-S535 PolarHBondContact O-N 2.94Å; K532-S535 PolarHBondContact O-OG 3.45Å; K532-M536 PolarHBondContact O-N 3.35Å
533V94.4Very high90.6Very high48 Ų4851.6 Ų51.629%0.29130%0.302SS..Hα-helixtrans-58.4-45.2178.2169.20000110.2P487 Q491 H529 S535 M536 A537P487-V533 HydrophobicContact CB-CB 4.2Å; P487-V533 HydrophobicContact CB-CG1 4.49Å; P487-V533 HydrophobicContact CB-CG2 4.01Å; Q491-V533 HydrophobicContact CG-CG1 4.34Å; Q491-V533 VanDerWaalsContact NE2-CG1 3.28Å; H529-V533 WeakPolarHBondContact O-CB 3.45Å; H529-V533 VanDerWaalsContact O-CG2 3.28Å; H529-V533 WeakPolarHBondContact O-CG2 3.08Å; H529-V533 PolarHBondContact O-N 3.28Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.95Å; V533-M536 CarbonylContact O-C 3.54Å; V533-M536 PolarHBondContact O-N 2.8Å; V533-M536 VanDerWaalsContact O-N 3.08Å; V533-A537 PolarHBondContact O-N 2.91Å
534L93.3Very high90.4Very high3 Ų354.2 Ų54.22%0.01631%0.311CS..Hα-helixtrans-61.2-38.1179.5-171.365.3000112.7V490 Q491 A494 Y505 V507 G530 A531 K532 M536 A537 L540 I545V490-L534 HydrophobicContact CG2-CD2 4.25Å; Q491-L534 HydrophobicContact CB-CD1 4.46Å; Q491-L534 HydrophobicContact CG-CD1 4.07Å; A494-L534 HydrophobicContact CB-CD1 3.48Å; A494-L534 VanDerWaalsContact CB-CD1 3.48Å; A494-L534 HydrophobicContact CB-CD2 3.93Å; A494-L534 HydrophobicContact CB-CG 4.32Å; Y505-L534 HydrophobicContact CD1-CD2 3.68Å; Y505-L534 HydrophobicContact CE1-CD2 3.79Å; V507-L534 HydrophobicContact CB-CD2 4.17Å; V507-L534 HydrophobicContact CG2-CD2 4.3Å; G530-L534 VanDerWaalsContact O-CB 3.26Å; G530-L534 WeakPolarHBondContact O-CB 3.18Å; G530-L534 PolarHBondContact O-N 3.34Å; G530-L534 VanDerWaalsContact O-N 3.09Å; A531-L534 PolarHBondContact O-N 3.14Å; K532-L534 VanDerWaalsContact C-N 3.29Å; K532-L534 PolarHBondContact O-N 3.28Å; L534-M536 PolarHBondContact O-N 3.19Å; L534-A537 WeakPolarHBondContact O-CB 3.41Å; L534-A537 PolarHBondContact O-N 3.34Å; L534-L540 HydrophobicContact CD1-CD1 3.52Å; L534-I545 HydrophobicContact CD1-CD1 4.29Å; L534-I545 HydrophobicContact CD2-CD1 3.6Å; L534-I545 HydrophobicContact CD2-CG1 4.18Å; L534-I545 HydrophobicContact CD2-CG2 3.97Å; L534-I545 HydrophobicContact CG-CD1 3.59Å; L534-I545 HydrophobicContact CG-CG1 3.89Å; L534-I545 HydrophobicContact CG-CG2 4.32Å
535S91.4Very high90.1Very high82 Ų8254.6 Ų54.657%0.57331%0.313SS*.Hα-helixtrans-67-19.4176.972.80000114.5A531 K532 V533A531-S535 PolarHBondContact O-N 3.39Å; K532-S535 PolarHBondContact O-N 2.94Å; K532-S535 PolarHBondContact O-OG 3.45Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.95Å
536M92.3Very high89.6Confident140 Ų14054.8 Ų54.869%0.6932%0.315SS*.Hα-helixtrans-108.6-0.1179.2-59.2-177.6-65.400112.6K532 V533 L534 P538K532-M536 PolarHBondContact O-N 3.35Å; V533-M536 CarbonylContact O-C 3.54Å; V533-M536 PolarHBondContact O-N 2.8Å; V533-M536 VanDerWaalsContact O-N 3.08Å; L534-M536 PolarHBondContact O-N 3.19Å; M536-P538 WeakPolarHBondContact O-CD 3.15Å
537A92.8Very high88.8Confident14 Ų1455.5 Ų55.512%0.11632%0.324CS..  trans-69.8120.5-170.200000111.2Q491 V533 L534 L540Q491-A537 HydrophobicContact CG-CB 4.13Å; V533-A537 PolarHBondContact O-N 2.91Å; L534-A537 WeakPolarHBondContact O-CB 3.41Å; L534-A537 PolarHBondContact O-N 3.34Å; A537-L540 HydrophobicContact CB-CD1 3.91Å; A537-L540 HydrophobicContact CB-CG 4.44Å
538P89.2Confident88.1Confident70 Ų7056.6 Ų56.646%0.45533%0.326SS..THydrogen-bonded Turntrans-67.3143.9178.328.9-35.1000110.5N288 M536N288-P538 VanDerWaalsContact CB-O 3.23Å; N288-P538 WeakPolarHBondContact CB-O 3.43Å; N288-P538 PolarHBondContact ND2-O 2.72Å; M536-P538 WeakPolarHBondContact O-CD 3.15Å
539G84.4Confident87.7Confident38 Ų3860.2 Ų60.239%0.39233%0.333SS..THydrogen-bonded Turntrans83.54.8178.500000115.6
540L86.2Confident87.3Confident7 Ų758.7 Ų58.74%0.03733%0.33CS..  trans-110.123.5173.1-62-177.7000112.8N288 A494 R495 M498 L534 A537 N542 L543N288-L540 HydrophobicContact CB-CD2 3.88Å; N288-L540 HydrophobicContact CB-CG 3.92Å; A494-L540 HydrophobicContact CB-CD1 4.41Å; R495-L540 HydrophobicContact CB-CD2 3.86Å; R495-L540 HydrophobicContact CG-CD2 4.21Å; M498-L540 HydrophobicContact CE-CD2 4.21Å; L534-L540 HydrophobicContact CD1-CD1 3.52Å; A537-L540 HydrophobicContact CB-CD1 3.91Å; A537-L540 HydrophobicContact CB-CG 4.44Å; L540-N542 PolarHBondContact O-N 3.49Å; L540-N542 VanDerWaalsContact O-N 3.12Å; L540-L543 PolarHBondContact O-N 3.03Å
541S70.4Confident87.1Confident109 Ų10959.3 Ų59.376%0.76234%0.335SS*.THydrogen-bonded Turntrans-59.6-25.7-174.954.20000114.8L543S541-L543 VanDerWaalsContact C-N 3.26Å; S541-L543 PolarHBondContact O-N 3.41Å
542N73.5Confident87.1Confident74 Ų7458.3 Ų58.340%0.39633%0.327SS..THydrogen-bonded Turntrans-83.3-3.8178.8-62.9-10000112.8M498 L540M498-N542 HydrophobicContact SD-CB 4.14Å; L540-N542 PolarHBondContact O-N 3.49Å; L540-N542 VanDerWaalsContact O-N 3.12Å
543L87.9Confident87.2Confident7 Ų753.4 Ų53.44%0.03731%0.305CS..SBendtrans-113.2109.2-179.3-168.472000109.7A494 M498 A502 Y505 L540 S541 I545A494-L543 HydrophobicContact CB-CD2 3.63Å; A494-L543 WeakPolarHBondContact O-CD2 3.34Å; M498-L543 HydrophobicContact CB-CD1 4.43Å; A502-L543 HydrophobicContact CB-CD1 4.19Å; A502-L543 WeakPolarHBondContact O-CD1 3.43Å; Y505-L543 HydrophobicContact CD2-CD2 4.5Å; Y505-L543 HydrophobicContact CG-CD2 4.19Å; L540-L543 PolarHBondContact O-N 3.03Å; S541-L543 VanDerWaalsContact C-N 3.26Å; S541-L543 PolarHBondContact O-N 3.41Å; L543-I545 HydrophobicContact CD2-CD1 4.01Å; L543-I545 HydrophobicContact CG-CD1 4.1Å; L543-I545 PolarHBondContact O-N 3.39Å
544K90.9Very high87.3Confident110 Ų11051.1 Ų51.148%0.47829%0.291SS..EExtended strand (participates in β ladder)trans-77.9117.7176.1-70.7177.3-178.8178.80110Q503 Y504 Y505 I546Q503-K544 PolarHBondContact O-N 3.29Å; Y504-K544 CarbonylContact C-O 3.55Å; Y504-K544 VanDerWaalsContact CA-O 3.28Å; Y504-K544 WeakPolarHBondContact CA-O 3.46Å; Y504-K544 HydrophobicContact CD1-CB 3.6Å; Y504-K544 HydrophobicContact CD1-CD 4.03Å; Y504-K544 HydrophobicContact CD1-CG 4.46Å; Y504-K544 HydrophobicContact CE1-CB 3.82Å; Y504-K544 HydrophobicContact CE1-CD 3.33Å; Y504-K544 HydrophobicContact CE1-CG 4.22Å; Y504-K544 HydrophobicContact CE2-CD 4.45Å; Y504-K544 HydrophobicContact CG-CB 4.23Å; Y504-K544 PolarHBondContact OH-NZ 2.87Å; Y504-K544 VanDerWaalsContact OH-NZ 3.09Å; Y505-K544 PolarHBondContact N-O 2.82Å; K544-I546 PolarHBondContact O-N 2.94Å
545I90.8Very high87.4Confident40 Ų4056.1 Ų56.121%0.20531%0.313CS..EExtended strand (participates in β ladder)trans-82.3121.1-179.7-50.6-50.1000109.2V507 L534 L543 P547V507-I545 HydrophobicContact CB-CG2 4.5Å; V507-I545 HydrophobicContact CG1-CG2 3.73Å; L534-I545 HydrophobicContact CD1-CD1 4.29Å; L534-I545 HydrophobicContact CD2-CD1 3.6Å; L534-I545 HydrophobicContact CD2-CG1 4.18Å; L534-I545 HydrophobicContact CD2-CG2 3.97Å; L534-I545 HydrophobicContact CG-CD1 3.59Å; L534-I545 HydrophobicContact CG-CG1 3.89Å; L534-I545 HydrophobicContact CG-CG2 4.32Å; L543-I545 HydrophobicContact CD2-CD1 4.01Å; L543-I545 HydrophobicContact CG-CD1 4.1Å; L543-I545 PolarHBondContact O-N 3.39Å; I545-P547 WeakPolarHBondContact O-CD 3.14Å
546I87.3Confident87.6Confident34 Ų3456 Ų5617%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-97.2109.2173.7-59.1179.3000107.1T421 Y504 Y505 I506 V507 K544T421-I546 HydrophobicContact CG2-CD1 3.32Å; Y504-I546 HydrophobicContact CD1-CD1 3.92Å; Y504-I546 HydrophobicContact CD1-CG1 4.21Å; Y504-I546 HydrophobicContact CG-CD1 4.32Å; Y505-I546 PolarHBondContact O-N 3.47Å; I506-I546 HydrophobicContact CG1-CB 4.37Å; I506-I546 HydrophobicContact CG1-CD1 4.47Å; V507-I546 PolarHBondContact N-O 3.41Å; K544-I546 PolarHBondContact O-N 2.94Å
547P78.2Confident87.7Confident89 Ų8953 Ų5358%0.57830%0.295SS*.PPolyproline II helixtrans-65.9143.1-178.527.5-33.8000110.8I545 R549I545-P547 WeakPolarHBondContact O-CD 3.14Å; P547-R549 PolarHBondContact O-N 3.33Å
548F77.8Confident87.8Confident53 Ų5357 Ų5723%0.23232%0.315CS..PPolyproline II helixtrans-56.7130.5174.1-161.2-111.7000111.2L417 V507 R509 V550L417-F548 HydrophobicContact CD1-CD2 3.43Å; L417-F548 VanDerWaalsContact CD1-CD2 3.43Å; L417-F548 HydrophobicContact CD1-CE2 2.98Å; L417-F548 HydrophobicContact CD1-CG 4.39Å; L417-F548 HydrophobicContact CD1-CZ 3.6Å; L417-F548 HydrophobicContact CD2-CD2 4.4Å; L417-F548 HydrophobicContact CG-CE2 4.38Å; V507-F548 WeakPolarHBondContact O-CA 3.37Å; V507-F548 WeakPolarHBondContact O-CB 3.34Å; V507-F548 PolarHBondContact O-N 3.12Å; R509-F548 HydrophobicContact CB-CD1 4.21Å; R509-F548 HydrophobicContact CB-CE1 4.31Å; F548-V550 HydrophobicContact CD1-CG2 4.28Å; F548-V550 HydrophobicContact CE1-CG2 4.44Å
549R84.3Confident88.1Confident117 Ų11759.4 Ų59.444%0.44232%0.318SS..PPolyproline II helixtrans-96.4126159-68.2175.766.5-167.21.3108L417 E420 P547 A551 F562L417-R549 HydrophobicContact CD2-CB 4.12Å; E420-R549 IonicContact OE1-NH1 2.71Å; E420-R549 PolarHBondContact OE1-NH1 3.49Å; P547-R549 PolarHBondContact O-N 3.33Å; R549-A551 PolarHBondContact O-N 3.37Å; R549-A551 VanDerWaalsContact O-N 3.16Å; R549-F562 HydrophobicContact CB-CD1 3.47Å; R549-F562 VanDerWaalsContact CB-CD1 3.47Å; R549-F562 HydrophobicContact CB-CE1 3.6Å; R549-F562 HydrophobicContact CB-CG 4.34Å; R549-F562 VanDerWaalsContact CZ-CD2 3.41Å
550V86.9Confident88.6Confident60 Ų6058.3 Ų58.336%0.36430%0.303SS..PPolyproline II helixtrans-60.4123.1179.4-1800000108.8F548 F562 F563 F573F548-V550 HydrophobicContact CD1-CG2 4.28Å; F548-V550 HydrophobicContact CE1-CG2 4.44Å; V550-F562 CarbonylContact O-C 3.12Å; V550-F562 WeakPolarHBondContact O-CA 3.48Å; V550-F563 HydrophobicContact CB-CB 4.11Å; V550-F563 HydrophobicContact CG1-CB 3.89Å; V550-F563 HydrophobicContact CG1-CG 4.46Å; V550-F563 WeakPolarHBondContact O-CB 3.22Å; V550-F563 PolarHBondContact O-N 3.4Å; V550-F573 HydrophobicContact CG1-CE1 3.6Å; V550-F573 HydrophobicContact CG1-CZ 3.98Å
551A90.6Very high89Confident14 Ų1459.3 Ų59.312%0.11631%0.31CS..EExtended strand (participates in β ladder)trans-109.8137.1173.200000109.5L416 R549 M560 S561 F562L416-A551 HydrophobicContact CD2-CB 4.49Å; R549-A551 PolarHBondContact O-N 3.37Å; R549-A551 VanDerWaalsContact O-N 3.16Å; A551-M560 HydrophobicContact CB-CE 4.29Å; A551-S561 CarbonylContact C-O 3.42Å; A551-S561 VanDerWaalsContact CA-O 3.28Å; A551-S561 WeakPolarHBondContact CA-O 3.36Å; A551-F562 HydrophobicContact CB-CD1 4.48Å
552A93Very high90.1Very high2 Ų255.3 Ų55.32%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-139.9165.1178.800000110D554 S561 F563 F571 F573A552-D554 PolarHBondContact O-N 3.17Å; A552-S561 PolarHBondContact N-O 3.41Å; A552-S561 PolarHBondContact O-N 3.29Å; A552-S561 VanDerWaalsContact O-O 3.06Å; A552-F563 HydrophobicContact CB-CD2 4.5Å; A552-F571 HydrophobicContact CB-CB 4.06Å; A552-F571 HydrophobicContact CB-CD1 3.75Å; A552-F571 HydrophobicContact CB-CG 4.29Å; A552-F573 HydrophobicContact CB-CD1 4.04Å; A552-F573 HydrophobicContact CB-CD2 4.38Å; A552-F573 HydrophobicContact CB-CE1 3.79Å; A552-F573 HydrophobicContact CB-CE2 4.15Å; A552-F573 HydrophobicContact CB-CG 4.34Å; A552-F573 HydrophobicContact CB-CZ 3.85Å
553Y95Very high91Very high11 Ų1155.2 Ų55.24%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-75.5116.1179.2-174.6-97.6000109.7K555 N558 M560 F571 L572 P590 N591 F593Y553-K555 HydrophobicContact CD1-CG 4.19Å; Y553-K555 HydrophobicContact CE1-CG 4.42Å; Y553-N558 VanDerWaalsContact OH-CA 3.26Å; Y553-N558 WeakPolarHBondContact OH-CA 3.41Å; Y553-N558 WeakPolarHBondContact OH-CB 3.27Å; Y553-N558 PolarHBondContact OH-OD1 2.89Å; Y553-M560 HydrophobicContact CD2-SD 4.21Å; Y553-F571 CarbonylContact O-C 3.56Å; Y553-F571 VanDerWaalsContact O-CA 3.3Å; Y553-F571 WeakPolarHBondContact O-CA 3.45Å; Y553-L572 WeakPolarHBondContact CB-O 3.33Å; Y553-L572 HydrophobicContact CD1-CB 4.4Å; Y553-L572 PolarHBondContact N-O 3.43Å; Y553-L572 PolarHBondContact O-N 3.37Å; Y553-P590 HydrophobicContact CD1-CB 4.16Å; Y553-P590 HydrophobicContact CD2-CB 4.29Å; Y553-P590 HydrophobicContact CE1-CB 3.64Å; Y553-P590 HydrophobicContact CE1-CG 4.45Å; Y553-P590 HydrophobicContact CE2-CB 3.8Å; Y553-P590 HydrophobicContact CG-CB 4.44Å; Y553-P590 VanDerWaalsContact CZ-CB 3.41Å; Y553-N591 WeakPolarHBondContact CE2-O 3.31Å; Y553-N591 VanDerWaalsContact CZ-O 3.3Å; Y553-N591 PolarHBondContact OH-O 2.95Å; Y553-F593 HydrophobicContact CD2-CB 4.35Å
554D96.5Very high91.3Very high0 Ų057.5 Ų57.50%029%0.288CS..EExtended strand (participates in β ladder)trans-87.8108.9177.6-174-22.5000109.3A552 T556 I557 N558 K559 R567 F571A552-D554 PolarHBondContact O-N 3.17Å; D554-T556 PolarHBondContact O-N 3.3Å; D554-T556 WeakPolarHBondContact OD1-CB 3.36Å; D554-T556 PolarHBondContact OD1-N 2.88Å; D554-T556 PolarHBondContact OD1-OG1 3.4Å; D554-I557 HydrophobicContact CB-CD1 3.99Å; D554-I557 HydrophobicContact CB-CG1 3.69Å; D554-I557 PolarHBondContact O-N 3.33Å; D554-I557 WeakPolarHBondContact OD2-CD1 3.23Å; D554-N558 WeakPolarHBondContact O-CA 3.11Å; D554-N558 PolarHBondContact O-N 2.94Å; D554-K559 PolarHBondContact N-O 2.96Å; D554-K559 PolarHBondContact O-N 2.87Å; D554-R567 IonicContact OD1-NH1 3.55Å; D554-R567 IonicContact OD2-CZ 3.9Å; D554-R567 IonicContact OD2-NH1 2.75Å; D554-R567 PolarHBondContact OD2-NH1 2.93Å; D554-R567 IonicContact OD2-NH2 3.11Å; D554-R567 PolarHBondContact OD2-NH2 3.13Å; D554-F571 HydrophobicContact CB-CD1 4.17Å; D554-F571 HydrophobicContact CB-CE1 3.89Å
555K95.6Very high91.3Very high107 Ų10756.6 Ų56.647%0.46530%0.295SS..THydrogen-bonded Turntrans-67.3-19.9-176-63.4177.3-68.3176.50112.9Y553 N558 S569 D570 L572Y553-K555 HydrophobicContact CD1-CG 4.19Å; Y553-K555 HydrophobicContact CE1-CG 4.42Å; K555-N558 PolarHBondContact O-OD1 2.84Å; K555-S569 WeakPolarHBondContact CE-O 3.4Å; K555-S569 PolarHBondContact NZ-O 3.12Å; K555-D570 WeakPolarHBondContact CB-O 3.42Å; K555-D570 VanDerWaalsContact CE-C 3.44Å; K555-D570 WeakPolarHBondContact CE-O 3.3Å; K555-D570 WeakPolarHBondContact CG-O 3.46Å; K555-D570 PolarHBondContact N-O 3.25Å; K555-L572 HydrophobicContact CD-CB 4.42Å; K555-L572 HydrophobicContact CG-CB 4.34Å
556T95.4Very high91.5Very high80 Ų8060.6 Ų60.649%0.49132%0.322SS..THydrogen-bonded Turntrans-78-26.9-177.567.10000112.3D554 D570D554-T556 PolarHBondContact O-N 3.3Å; D554-T556 WeakPolarHBondContact OD1-CB 3.36Å; D554-T556 PolarHBondContact OD1-N 2.88Å; D554-T556 PolarHBondContact OD1-OG1 3.4Å; T556-D570 HydrophobicContact CG2-CB 3.9Å
557I95.1Very high91.9Very high77 Ų7762.3 Ų62.340%0.39533%0.326SS..THydrogen-bonded Turntrans-122.53.4-176.459179.7000113D554 K559D554-I557 HydrophobicContact CB-CD1 3.99Å; D554-I557 HydrophobicContact CB-CG1 3.69Å; D554-I557 PolarHBondContact O-N 3.33Å; D554-I557 WeakPolarHBondContact OD2-CD1 3.23Å; I557-K559 VanDerWaalsContact C-N 3.31Å; I557-K559 HydrophobicContact CB-CG 4.32Å; I557-K559 HydrophobicContact CD1-CD 4.21Å; I557-K559 HydrophobicContact CD1-CG 3.77Å; I557-K559 HydrophobicContact CG1-CD 4.5Å; I557-K559 HydrophobicContact CG1-CG 3.69Å; I557-K559 PolarHBondContact O-N 3.43Å
558N95Very high92.6Very high99 Ų9961.4 Ų61.453%0.52932%0.321SS..THydrogen-bonded Turntrans50.742.8177.9-62.9-46.3000114.3Y553 D554 K555Y553-N558 VanDerWaalsContact OH-CA 3.26Å; Y553-N558 WeakPolarHBondContact OH-CA 3.41Å; Y553-N558 WeakPolarHBondContact OH-CB 3.27Å; Y553-N558 PolarHBondContact OH-OD1 2.89Å; D554-N558 WeakPolarHBondContact O-CA 3.11Å; D554-N558 PolarHBondContact O-N 2.94Å; K555-N558 PolarHBondContact O-OD1 2.84Å
559K95Very high93.5Very high119 Ų11962.8 Ų62.852%0.51734%0.337SS..EExtended strand (participates in β ladder)trans-150.5163.8176.260.6174.8178.1-179.20111.8D554 I557 S561D554-K559 PolarHBondContact N-O 2.96Å; D554-K559 PolarHBondContact O-N 2.87Å; I557-K559 VanDerWaalsContact C-N 3.31Å; I557-K559 HydrophobicContact CB-CG 4.32Å; I557-K559 HydrophobicContact CD1-CD 4.21Å; I557-K559 HydrophobicContact CD1-CG 3.77Å; I557-K559 HydrophobicContact CG1-CD 4.5Å; I557-K559 HydrophobicContact CG1-CG 3.69Å; I557-K559 PolarHBondContact O-N 3.43Å; K559-S561 PolarHBondContact O-N 2.66Å
560M94.5Very high94Very high16 Ų1659.5 Ų59.58%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-65.3132.9169.4-65.8-63.1-64.600110.4N412 A551 Y553 F593N412-M560 HydrophobicContact CB-CB 4Å; N412-M560 HydrophobicContact CB-CG 3.66Å; A551-M560 HydrophobicContact CB-CE 4.29Å; Y553-M560 HydrophobicContact CD2-SD 4.21Å; M560-F593 HydrophobicContact SD-CD2 3.81Å; M560-F593 HydrophobicContact SD-CE2 4.37Å
561S94.9Very high94.4Very high27 Ų2757.3 Ų57.319%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-142.1162.5177.5-169.30000110.1A551 A552 K559 F563A551-S561 CarbonylContact C-O 3.42Å; A551-S561 VanDerWaalsContact CA-O 3.28Å; A551-S561 WeakPolarHBondContact CA-O 3.36Å; A552-S561 PolarHBondContact N-O 3.41Å; A552-S561 PolarHBondContact O-N 3.29Å; A552-S561 VanDerWaalsContact O-O 3.06Å; K559-S561 PolarHBondContact O-N 2.66Å; S561-F563 PolarHBondContact O-N 3.38Å
562F93.7Very high94.6Very high26 Ų2660.2 Ų60.211%0.11433%0.327CS..EExtended strand (participates in β ladder)trans-65.9130.5172.6-65-60.3000109.7L416 L417 E420 R549 V550 A551 D564 F571L416-F562 HydrophobicContact CD1-CE2 4.29Å; L416-F562 HydrophobicContact CD1-CZ 4.44Å; L416-F562 HydrophobicContact CD2-CD1 4.22Å; L416-F562 HydrophobicContact CD2-CD2 4.16Å; L416-F562 HydrophobicContact CD2-CE1 4.08Å; L416-F562 HydrophobicContact CD2-CE2 4.04Å; L416-F562 HydrophobicContact CD2-CG 4.26Å; L416-F562 HydrophobicContact CD2-CZ 4.01Å; L416-F562 HydrophobicContact CG-CE1 4.15Å; L416-F562 HydrophobicContact CG-CE2 3.99Å; L416-F562 HydrophobicContact CG-CZ 3.74Å; L417-F562 HydrophobicContact CD2-CE1 3.67Å; L417-F562 HydrophobicContact CD2-CZ 4.35Å; L417-F562 HydrophobicContact CG-CE1 4.1Å; E420-F562 HydrophobicContact CB-CE2 4.26Å; E420-F562 HydrophobicContact CB-CZ 3.94Å; E420-F562 HydrophobicContact CG-CE2 3.93Å; E420-F562 HydrophobicContact CG-CZ 3.83Å; R549-F562 HydrophobicContact CB-CD1 3.47Å; R549-F562 VanDerWaalsContact CB-CD1 3.47Å; R549-F562 HydrophobicContact CB-CE1 3.6Å; R549-F562 HydrophobicContact CB-CG 4.34Å; R549-F562 VanDerWaalsContact CZ-CD2 3.41Å; V550-F562 CarbonylContact O-C 3.12Å; V550-F562 WeakPolarHBondContact O-CA 3.48Å; A551-F562 HydrophobicContact CB-CD1 4.48Å; F562-D564 PolarHBondContact O-N 3.46Å; F562-F571 WeakPolarHBondContact O-CE1 3.41Å; F562-F571 WeakPolarHBondContact O-CZ 3.41Å
563F92.6Very high94.5Very high71 Ų7165.7 Ų65.731%0.31135%0.351SS..  trans-60.5130.5179.9177.4-105.6000110.2V550 A552 S561 F571 F573V550-F563 HydrophobicContact CB-CB 4.11Å; V550-F563 HydrophobicContact CG1-CB 3.89Å; V550-F563 HydrophobicContact CG1-CG 4.46Å; V550-F563 WeakPolarHBondContact O-CB 3.22Å; V550-F563 PolarHBondContact O-N 3.4Å; A552-F563 HydrophobicContact CB-CD2 4.5Å; S561-F563 PolarHBondContact O-N 3.38Å; F563-F571 HydrophobicContact CD2-CB 3.87Å; F563-F571 HydrophobicContact CD2-CD1 4.27Å; F563-F571 AromaticContact CD2-CD2 3.81Å; F563-F571 HydrophobicContact CD2-CD2 3.81Å; F563-F571 HydrophobicContact CD2-CE2 4.38Å; F563-F571 AromaticContact CD2-CG 3.73Å; F563-F571 HydrophobicContact CD2-CG 3.73Å; F563-F571 HydrophobicContact CE2-CB 4.09Å; F563-F571 HydrophobicContact CE2-CD2 4.11Å; F563-F571 HydrophobicContact CE2-CG 4.24Å; F563-F573 HydrophobicContact CB-CZ 4.35Å; F563-F573 HydrophobicContact CD1-CZ 4.48Å; F563-F573 AromaticContact CD2-CE2 3.69Å; F563-F573 HydrophobicContact CD2-CE2 3.69Å; F563-F573 AromaticContact CD2-CZ 3.53Å; F563-F573 HydrophobicContact CD2-CZ 3.53Å; F563-F573 AromaticContact CE2-CE2 3.65Å; F563-F573 HydrophobicContact CE2-CE2 3.65Å; F563-F573 AromaticContact CE2-CZ 3.87Å; F563-F573 HydrophobicContact CE2-CZ 3.87Å; F563-F573 HydrophobicContact CG-CE2 4.46Å; F563-F573 AromaticContact CG-CZ 3.87Å; F563-F573 HydrophobicContact CG-CZ 3.87Å; F563-F573 HydrophobicContact CZ-CE2 4.38Å; F563-F573 HydrophobicContact CZ-CZ 4.48Å
564D93.6Very high94.2Very high56 Ų5666.5 Ų66.530%0.29936%0.356SS..  trans-120.4115177176.45.7000108.9F562 T566 R567 S568 F571F562-D564 PolarHBondContact O-N 3.46Å; D564-T566 PolarHBondContact O-N 3.02Å; D564-T566 PolarHBondContact OD1-N 2.76Å; D564-T566 PolarHBondContact OD1-OG1 2.75Å; D564-T566 PolarHBondContact OD2-OG1 2.76Å; D564-R567 HydrophobicContact CB-CG 3.94Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 3.19Å; D564-R567 IonicContact OD2-NE 4Å; D564-R567 PolarHBondContact OD2-NE 2.69Å; D564-S568 PolarHBondContact O-N 2.79Å; D564-F571 HydrophobicContact CB-CE2 3.84Å; D564-F571 HydrophobicContact CB-CZ 4.1Å; D564-F571 VanDerWaalsContact N-CE2 3.29Å
565S91.8Very high93.6Very high90 Ų9069.7 Ų69.763%0.62938%0.378SS*.G310 helixtrans-65.2-24.1-175.951.70000113.2R567S565-R567 PolarHBondContact O-N 3.1Å
566T95.6Very high92.9Very high125 Ų12566.5 Ų66.577%0.76738%0.376SS*.G310 helixtrans-74.5-15.618065.50000112.8D564D564-T566 PolarHBondContact O-N 3.02Å; D564-T566 PolarHBondContact OD1-N 2.76Å; D564-T566 PolarHBondContact OD1-OG1 2.75Å; D564-T566 PolarHBondContact OD2-OG1 2.76Å
567R94.8Very high92.4Very high70 Ų7066.8 Ų66.826%0.26438%0.377SS..G310 helixtrans-131.140.2177.763.5-175.7-174118.18.1111.3D554 D564 S565 S569 D570 F571D554-R567 IonicContact OD1-NH1 3.55Å; D554-R567 IonicContact OD2-CZ 3.9Å; D554-R567 IonicContact OD2-NH1 2.75Å; D554-R567 PolarHBondContact OD2-NH1 2.93Å; D554-R567 IonicContact OD2-NH2 3.11Å; D554-R567 PolarHBondContact OD2-NH2 3.13Å; D564-R567 HydrophobicContact CB-CG 3.94Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 3.19Å; D564-R567 IonicContact OD2-NE 4Å; D564-R567 PolarHBondContact OD2-NE 2.69Å; S565-R567 PolarHBondContact O-N 3.1Å; R567-S569 PolarHBondContact O-N 3Å; R567-S569 VanDerWaalsContact O-N 3.07Å; R567-D570 VanDerWaalsContact O-CB 3.31Å; R567-D570 WeakPolarHBondContact O-CB 3.43Å; R567-D570 PolarHBondContact O-N 3.21Å; R567-F571 HydrophobicContact CG-CD2 4.5Å; R567-F571 HydrophobicContact CG-CE2 3.82Å; R567-F571 WeakPolarHBondContact O-CD2 3.25Å
568S93.5Very high92.1Very high69 Ų6967.9 Ų67.948%0.48338%0.379SS..G310 helixtrans-56.2-29.7-17463.10000114D564 D570 F571D564-S568 PolarHBondContact O-N 2.79Å; S568-D570 PolarHBondContact O-N 3.46Å; S568-F571 PolarHBondContact O-N 3.04Å
569S95.8Very high91.9Very high82 Ų8264 Ų6457%0.57336%0.358SS*.G310 helixtrans-62.8-23.2175.653.10000113.7K555 R567 F571K555-S569 WeakPolarHBondContact CE-O 3.4Å; K555-S569 PolarHBondContact NZ-O 3.12Å; R567-S569 PolarHBondContact O-N 3Å; R567-S569 VanDerWaalsContact O-N 3.07Å; S569-F571 VanDerWaalsContact C-N 3.3Å
570D96.2Very high91.7Very high49 Ų4960.7 Ų60.726%0.26234%0.342SS..G310 helixtrans-82.5-15-177.4-64-8.2000111.9K555 T556 R567 S568K555-D570 WeakPolarHBondContact CB-O 3.42Å; K555-D570 VanDerWaalsContact CE-C 3.44Å; K555-D570 WeakPolarHBondContact CE-O 3.3Å; K555-D570 WeakPolarHBondContact CG-O 3.46Å; K555-D570 PolarHBondContact N-O 3.25Å; T556-D570 HydrophobicContact CG2-CB 3.9Å; R567-D570 VanDerWaalsContact O-CB 3.31Å; R567-D570 WeakPolarHBondContact O-CB 3.43Å; R567-D570 PolarHBondContact O-N 3.21Å; S568-D570 PolarHBondContact O-N 3.46Å
571F95.4Very high91.5Very high14 Ų1462 Ų626%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-97.4144.7-178.8-69.1-86.8000112.6A552 Y553 D554 F562 F563 D564 R567 S568 S569A552-F571 HydrophobicContact CB-CB 4.06Å; A552-F571 HydrophobicContact CB-CD1 3.75Å; A552-F571 HydrophobicContact CB-CG 4.29Å; Y553-F571 CarbonylContact O-C 3.56Å; Y553-F571 VanDerWaalsContact O-CA 3.3Å; Y553-F571 WeakPolarHBondContact O-CA 3.45Å; D554-F571 HydrophobicContact CB-CD1 4.17Å; D554-F571 HydrophobicContact CB-CE1 3.89Å; F562-F571 WeakPolarHBondContact O-CE1 3.41Å; F562-F571 WeakPolarHBondContact O-CZ 3.41Å; F563-F571 HydrophobicContact CD2-CB 3.87Å; F563-F571 HydrophobicContact CD2-CD1 4.27Å; F563-F571 AromaticContact CD2-CD2 3.81Å; F563-F571 HydrophobicContact CD2-CD2 3.81Å; F563-F571 HydrophobicContact CD2-CE2 4.38Å; F563-F571 AromaticContact CD2-CG 3.73Å; F563-F571 HydrophobicContact CD2-CG 3.73Å; F563-F571 HydrophobicContact CE2-CB 4.09Å; F563-F571 HydrophobicContact CE2-CD2 4.11Å; F563-F571 HydrophobicContact CE2-CG 4.24Å; D564-F571 HydrophobicContact CB-CE2 3.84Å; D564-F571 HydrophobicContact CB-CZ 4.1Å; D564-F571 VanDerWaalsContact N-CE2 3.29Å; R567-F571 HydrophobicContact CG-CD2 4.5Å; R567-F571 HydrophobicContact CG-CE2 3.82Å; R567-F571 WeakPolarHBondContact O-CD2 3.25Å; S568-F571 PolarHBondContact O-N 3.04Å; S569-F571 VanDerWaalsContact C-N 3.3Å
572L93.4Very high91.5Very high74 Ų7461.4 Ų61.439%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-119.3123.5171.4174.867.4000109.4Y553 K555 I574 P590Y553-L572 WeakPolarHBondContact CB-O 3.33Å; Y553-L572 HydrophobicContact CD1-CB 4.4Å; Y553-L572 PolarHBondContact N-O 3.43Å; Y553-L572 PolarHBondContact O-N 3.37Å; K555-L572 HydrophobicContact CD-CB 4.42Å; K555-L572 HydrophobicContact CG-CB 4.34Å; L572-I574 HydrophobicContact CD2-CD1 4.3Å; L572-I574 HydrophobicContact CD2-CG1 4.17Å; L572-I574 HydrophobicContact CG-CG1 4.14Å; L572-P590 HydrophobicContact CD2-CG 4.2Å
573F91.6Very high91.4Very high118 Ų11860.2 Ų60.252%0.51834%0.341SS..  trans-92.2118.1171.7-72.6-90.2000109.9V550 A552 F563V550-F573 HydrophobicContact CG1-CE1 3.6Å; V550-F573 HydrophobicContact CG1-CZ 3.98Å; A552-F573 HydrophobicContact CB-CD1 4.04Å; A552-F573 HydrophobicContact CB-CD2 4.38Å; A552-F573 HydrophobicContact CB-CE1 3.79Å; A552-F573 HydrophobicContact CB-CE2 4.15Å; A552-F573 HydrophobicContact CB-CG 4.34Å; A552-F573 HydrophobicContact CB-CZ 3.85Å; F563-F573 HydrophobicContact CB-CZ 4.35Å; F563-F573 HydrophobicContact CD1-CZ 4.48Å; F563-F573 AromaticContact CD2-CE2 3.69Å; F563-F573 HydrophobicContact CD2-CE2 3.69Å; F563-F573 AromaticContact CD2-CZ 3.53Å; F563-F573 HydrophobicContact CD2-CZ 3.53Å; F563-F573 AromaticContact CE2-CE2 3.65Å; F563-F573 HydrophobicContact CE2-CE2 3.65Å; F563-F573 AromaticContact CE2-CZ 3.87Å; F563-F573 HydrophobicContact CE2-CZ 3.87Å; F563-F573 HydrophobicContact CG-CE2 4.46Å; F563-F573 AromaticContact CG-CZ 3.87Å; F563-F573 HydrophobicContact CG-CZ 3.87Å; F563-F573 HydrophobicContact CZ-CE2 4.38Å; F563-F573 HydrophobicContact CZ-CZ 4.48Å
574I88.2Confident91.4Very high28 Ų2862.2 Ų62.214%0.14435%0.346CS..  trans-101.9108.1173.2-55.6-177.7000107.6L572 K578 M579 P590 F593L572-I574 HydrophobicContact CD2-CD1 4.3Å; L572-I574 HydrophobicContact CD2-CG1 4.17Å; L572-I574 HydrophobicContact CG-CG1 4.14Å; I574-K578 HydrophobicContact CG2-CB 4.19Å; I574-K578 HydrophobicContact CG2-CG 4.15Å; I574-M579 HydrophobicContact CG2-CB 4.25Å; I574-P590 HydrophobicContact CD1-CG 3.93Å; I574-F593 HydrophobicContact CB-CD2 4.37Å; I574-F593 HydrophobicContact CB-CE2 3.72Å; I574-F593 HydrophobicContact CB-CZ 4Å; I574-F593 HydrophobicContact CD1-CD2 3.7Å; I574-F593 HydrophobicContact CD1-CE2 3.94Å; I574-F593 HydrophobicContact CD1-CG 4.03Å; I574-F593 HydrophobicContact CD1-CZ 4.45Å; I574-F593 HydrophobicContact CG1-CD2 4.38Å; I574-F593 HydrophobicContact CG1-CE2 4.22Å; I574-F593 HydrophobicContact CG2-CE2 4.2Å; I574-F593 HydrophobicContact CG2-CZ 3.96Å
575S83.3Confident91.3Very high66 Ų6665.2 Ų65.246%0.46236%0.359SS..  trans-69.3158.6177.471.20000111.5T577 K578 M579S575-T577 PolarHBondContact O-N 2.88Å; S575-K578 PolarHBondContact O-N 2.81Å; S575-K578 VanDerWaalsContact O-N 3.08Å; S575-K578 PolarHBondContact OG-N 3.09Å; S575-K578 VanDerWaalsContact OG-N 3.09Å; S575-M579 WeakPolarHBondContact O-CB 3.45Å; S575-M579 PolarHBondContact O-N 2.69Å
576G82.4Confident91.1Very high40 Ų4063 Ų6341%0.41235%0.35SS..Hα-helixtrans-56.4-36.7173.100000112.5M579 R580G576-M579 PolarHBondContact O-N 3.31Å; G576-R580 WeakPolarHBondContact O-CG 3.46Å; G576-R580 PolarHBondContact O-N 3.06Å
577T83.5Confident91Very high86 Ų8661 Ų6153%0.52833%0.333SS..Hα-helixtrans-63.1-47.5173.9-56.70000111.6S575 M579 R580 T581S575-T577 PolarHBondContact O-N 2.88Å; T577-M579 VanDerWaalsContact C-N 3.34Å; T577-M579 PolarHBondContact O-N 2.84Å; T577-R580 PolarHBondContact O-N 2.87Å; T577-R580 PolarHBondContact OG1-NH2 3.18Å; T577-T581 PolarHBondContact O-N 2.85Å; T577-T581 PolarHBondContact O-OG1 3.3Å; T577-T581 VanDerWaalsContact O-OG1 3.13Å
578K89.4Confident91Very high101 Ų10163.6 Ų63.644%0.43935%0.348SS..Hα-helixtrans-62.6-42.9178.1-177.259.6176.6175.70111.4I574 S575 R580 T581 L582I574-K578 HydrophobicContact CG2-CB 4.19Å; I574-K578 HydrophobicContact CG2-CG 4.15Å; S575-K578 PolarHBondContact O-N 2.81Å; S575-K578 VanDerWaalsContact O-N 3.08Å; S575-K578 PolarHBondContact OG-N 3.09Å; S575-K578 VanDerWaalsContact OG-N 3.09Å; K578-R580 PolarHBondContact O-N 3.36Å; K578-T581 WeakPolarHBondContact O-CB 3.35Å; K578-T581 PolarHBondContact O-N 2.74Å; K578-L582 WeakPolarHBondContact O-CG 3.37Å; K578-L582 PolarHBondContact O-N 2.84Å
579M91.2Very high91.1Very high18 Ų1861 Ų619%0.08933%0.329CS..Hα-helixtrans-56.9-47.3175.4-177.4-78.6-72.300111.4I574 S575 G576 T577 T581 L582 A583 F593 W599 L602I574-M579 HydrophobicContact CG2-CB 4.25Å; S575-M579 WeakPolarHBondContact O-CB 3.45Å; S575-M579 PolarHBondContact O-N 2.69Å; G576-M579 PolarHBondContact O-N 3.31Å; T577-M579 VanDerWaalsContact C-N 3.34Å; T577-M579 PolarHBondContact O-N 2.84Å; M579-T581 PolarHBondContact O-N 2.94Å; M579-L582 PolarHBondContact O-N 2.67Å; M579-A583 PolarHBondContact O-N 2.96Å; M579-F593 HydrophobicContact CG-CE1 4.05Å; M579-F593 HydrophobicContact CG-CZ 4.47Å; M579-W599 HydrophobicContact CG-CH2 4.46Å; M579-W599 HydrophobicContact CG-CZ3 3.8Å; M579-W599 HydrophobicContact SD-CH2 4.45Å; M579-W599 HydrophobicContact SD-CZ3 3.81Å; M579-L602 HydrophobicContact SD-CD1 4.28Å
580R89.7Confident91Very high48 Ų4859.1 Ų59.118%0.18132%0.315CS..Hα-helixtrans-62.7-39.5175.8-71-171.1-65.7-96.90.1112.8G576 T577 K578 A583 R584 Y606G576-R580 WeakPolarHBondContact O-CG 3.46Å; G576-R580 PolarHBondContact O-N 3.06Å; T577-R580 PolarHBondContact O-N 2.87Å; T577-R580 PolarHBondContact OG1-NH2 3.18Å; K578-R580 PolarHBondContact O-N 3.36Å; R580-A583 PolarHBondContact O-N 2.82Å; R580-R584 WeakPolarHBondContact O-CB 3.44Å; R580-R584 VanDerWaalsContact O-CG 3.29Å; R580-R584 WeakPolarHBondContact O-CG 3.43Å; R580-R584 PolarHBondContact O-N 3.19Å; R580-Y606 HydrophobicContact CB-CE1 4.5Å; R580-Y606 WeakPolarHBondContact CD-OH 3.41Å; R580-Y606 HydrophobicContact CG-CE1 4.14Å; R580-Y606 HydrophobicContact CG-CE2 3.93Å; R580-Y606 VanDerWaalsContact CG-OH 3.3Å; R580-Y606 WeakPolarHBondContact CG-OH 3.46Å
581T91.5Very high90.8Very high43 Ų4363.6 Ų63.626%0.26434%0.339SS..Hα-helixtrans-61-48.8175.4-60.80000111.1T577 K578 M579 A583 R584 E585T577-T581 PolarHBondContact O-N 2.85Å; T577-T581 PolarHBondContact O-OG1 3.3Å; T577-T581 VanDerWaalsContact O-OG1 3.13Å; K578-T581 WeakPolarHBondContact O-CB 3.35Å; K578-T581 PolarHBondContact O-N 2.74Å; M579-T581 PolarHBondContact O-N 2.94Å; T581-A583 VanDerWaalsContact C-N 3.31Å; T581-A583 PolarHBondContact O-N 2.96Å; T581-R584 PolarHBondContact O-N 3.4Å; T581-E585 HydrophobicContact CG2-CG 4.46Å; T581-E585 WeakPolarHBondContact CG2-OE1 3.41Å; T581-E585 WeakPolarHBondContact CG2-OE2 3.29Å; T581-E585 WeakPolarHBondContact O-CB 3.29Å; T581-E585 WeakPolarHBondContact O-CG 3.25Å; T581-E585 PolarHBondContact O-N 2.85Å
582L94.1Very high90.7Very high16 Ų1663.6 Ų63.68%0.08434%0.344CS..Hα-helixtrans-55.3-47.5175.8-66.3176.2000111.3K578 M579 R584 E585 G586 M587 P589 W599K578-L582 WeakPolarHBondContact O-CG 3.37Å; K578-L582 PolarHBondContact O-N 2.84Å; M579-L582 PolarHBondContact O-N 2.67Å; L582-R584 PolarHBondContact O-N 2.88Å; L582-E585 PolarHBondContact O-N 3.28Å; L582-G586 PolarHBondContact O-N 2.77Å; L582-G586 VanDerWaalsContact O-N 3.13Å; L582-M587 CarbonylContact C-O 3.54Å; L582-M587 HydrophobicContact CB-CB 4.49Å; L582-M587 HydrophobicContact CD2-CB 4Å; L582-M587 HydrophobicContact CD2-CE 3.91Å; L582-M587 PolarHBondContact O-N 2.92Å; L582-P589 HydrophobicContact CD1-CB 4.14Å; L582-W599 HydrophobicContact CB-CH2 3.92Å; L582-W599 HydrophobicContact CB-CZ2 4.22Å
583A92.8Very high90.8Very high0 Ų060.4 Ų60.40%033%0.327CS..Hα-helixtrans-64.1-38.6179.900000113.3M579 R580 T581 G586 W599 Y606 C607M579-A583 PolarHBondContact O-N 2.96Å; R580-A583 PolarHBondContact O-N 2.82Å; T581-A583 VanDerWaalsContact C-N 3.31Å; T581-A583 PolarHBondContact O-N 2.96Å; A583-G586 PolarHBondContact O-N 3.3Å; A583-W599 HydrophobicContact CB-CH2 3.59Å; A583-W599 HydrophobicContact CB-CZ2 3.97Å; A583-W599 HydrophobicContact CB-CZ3 4.3Å; A583-Y606 HydrophobicContact CB-CD2 3.51Å; A583-Y606 HydrophobicContact CB-CE2 4.43Å; A583-Y606 HydrophobicContact CB-CG 3.97Å; A583-C607 PolarHBondContact O-SG 3.06Å
584R91.4Very high90.9Very high114 Ų11455.6 Ų55.643%0.4331%0.306SS..Hα-helixtrans-68.2-36.5176.8-77.1176.3-175.2172.8-1.9112.5R580 T581 L582 G586 Y606 N610R580-R584 WeakPolarHBondContact O-CB 3.44Å; R580-R584 VanDerWaalsContact O-CG 3.29Å; R580-R584 WeakPolarHBondContact O-CG 3.43Å; R580-R584 PolarHBondContact O-N 3.19Å; T581-R584 PolarHBondContact O-N 3.4Å; L582-R584 PolarHBondContact O-N 2.88Å; R584-G586 VanDerWaalsContact C-N 3.26Å; R584-Y606 HydrophobicContact CG-CD1 3.98Å; R584-Y606 HydrophobicContact CG-CG 4.19Å; R584-N610 PolarHBondContact O-ND2 3.1Å
585E91.9Very high91.2Very high119 Ų11954.6 Ų54.656%0.55630%0.302SS*.THydrogen-bonded Turntrans-85.10.5-179-67.9171.3172.400112.4T581 L582 M587T581-E585 HydrophobicContact CG2-CG 4.46Å; T581-E585 WeakPolarHBondContact CG2-OE1 3.41Å; T581-E585 WeakPolarHBondContact CG2-OE2 3.29Å; T581-E585 WeakPolarHBondContact O-CB 3.29Å; T581-E585 WeakPolarHBondContact O-CG 3.25Å; T581-E585 PolarHBondContact O-N 2.85Å; L582-E585 PolarHBondContact O-N 3.28Å; E585-M587 HydrophobicContact CB-CE 3.83Å; E585-M587 HydrophobicContact CB-CG 4.39Å; E585-M587 HydrophobicContact CG-CE 4.45Å; E585-M587 PolarHBondContact O-N 3.02Å; E585-M587 WeakPolarHBondContact OE2-CE 3.29Å
586G88.2Confident91.8Very high43 Ų4358.7 Ų58.744%0.44331%0.314SS..THydrogen-bonded Turntrans65.222.4-177.300000113.4L582 A583 R584L582-G586 PolarHBondContact O-N 2.77Å; L582-G586 VanDerWaalsContact O-N 3.13Å; A583-G586 PolarHBondContact O-N 3.3Å; R584-G586 VanDerWaalsContact C-N 3.26Å
587M93.8Very high92.5Very high82 Ų8261.8 Ų61.840%0.40432%0.316SS..PPolyproline II helixtrans-92.1141.4178.1-75.7-166.1-73.700111.4L582 E585 W599L582-M587 CarbonylContact C-O 3.54Å; L582-M587 HydrophobicContact CB-CB 4.49Å; L582-M587 HydrophobicContact CD2-CB 4Å; L582-M587 HydrophobicContact CD2-CE 3.91Å; L582-M587 PolarHBondContact O-N 2.92Å; E585-M587 HydrophobicContact CB-CE 3.83Å; E585-M587 HydrophobicContact CB-CG 4.39Å; E585-M587 HydrophobicContact CG-CE 4.45Å; E585-M587 PolarHBondContact O-N 3.02Å; E585-M587 WeakPolarHBondContact OE2-CE 3.29Å; M587-W599 WeakPolarHBondContact O-CZ2 3.48Å
588E94.3Very high93.1Very high125 Ų12557.7 Ų57.758%0.58429%0.291SS*.PPolyproline II helixtrans-76.9140.3175.9-66.9-59.5129.500111.8W599E588-W599 PolarHBondContact OE1-NE1 3.42Å; E588-W599 VanDerWaalsContact OE1-NE1 3.12Å; E588-W599 PolarHBondContact OE2-NE1 3.45Å; E588-W599 VanDerWaalsContact OE2-NE1 3.12Å
589P94.4Very high93.5Very high15 Ų1553 Ų5310%0.09727%0.27CS..PPolyproline II helixtrans-71.2166.2166.233.6-36.1000109.8L582 N591 F593 W599L582-P589 HydrophobicContact CD1-CB 4.14Å; P589-N591 PolarHBondContact O-N 3.33Å; P589-F593 HydrophobicContact CB-CB 4.11Å; P589-F593 HydrophobicContact CB-CD1 3.62Å; P589-F593 HydrophobicContact CB-CE1 4.43Å; P589-F593 HydrophobicContact CB-CG 4.13Å; P589-F593 HydrophobicContact CG-CD1 3.98Å; P589-W599 HydrophobicContact CG-CD2 3.78Å; P589-W599 HydrophobicContact CG-CE3 3.92Å; P589-W599 HydrophobicContact CG-CG 4.21Å; P589-W599 HydrophobicContact CG-CH2 4.43Å; P589-W599 HydrophobicContact CG-CZ2 4.36Å; P589-W599 HydrophobicContact CG-CZ3 4.24Å
590P94Very high93.7Very high42 Ų4258.3 Ų58.327%0.27329%0.293SS..PPolyproline II helixtrans-52.5134.4172.3-26.436000111.6Y553 L572 I574 G592 F593Y553-P590 HydrophobicContact CD1-CB 4.16Å; Y553-P590 HydrophobicContact CD2-CB 4.29Å; Y553-P590 HydrophobicContact CE1-CB 3.64Å; Y553-P590 HydrophobicContact CE1-CG 4.45Å; Y553-P590 HydrophobicContact CE2-CB 3.8Å; Y553-P590 HydrophobicContact CG-CB 4.44Å; Y553-P590 VanDerWaalsContact CZ-CB 3.41Å; L572-P590 HydrophobicContact CD2-CG 4.2Å; I574-P590 HydrophobicContact CD1-CG 3.93Å; P590-G592 PolarHBondContact O-N 2.9Å; P590-F593 WeakPolarHBondContact O-CB 3.44Å; P590-F593 PolarHBondContact O-N 3.45Å
591N93.3Very high94Very high143 Ų14357.7 Ų57.777%0.76529%0.294SS*.THydrogen-bonded Turntrans-52.8132.5179-176.49.7000110.3Y553 P589Y553-N591 WeakPolarHBondContact CE2-O 3.31Å; Y553-N591 VanDerWaalsContact CZ-O 3.3Å; Y553-N591 PolarHBondContact OH-O 2.95Å; P589-N591 PolarHBondContact O-N 3.33Å
592G92.9Very high94.2Very high15 Ų1555.7 Ų55.716%0.15528%0.282CS..THydrogen-bonded Turntrans88.2-2.5-176.200000115N412 P590N412-G592 WeakPolarHBondContact CB-O 3.31Å; N412-G592 PolarHBondContact ND2-O 2.82Å; P590-G592 PolarHBondContact O-N 2.9Å
593F94.4Very high94.3Very high7 Ų755.4 Ų55.43%0.03128%0.282CS..SBendtrans-70-43.5170.8175.3-105.6000112.6H411 N412 Y553 M560 I574 M579 P589 P590H411-F593 HydrophobicContact CB-CE1 4.15Å; H411-F593 HydrophobicContact CB-CE2 4.29Å; H411-F593 HydrophobicContact CB-CZ 3.98Å; N412-F593 WeakPolarHBondContact CB-O 3.18Å; N412-F593 PolarHBondContact N-O 2.81Å; Y553-F593 HydrophobicContact CD2-CB 4.35Å; M560-F593 HydrophobicContact SD-CD2 3.81Å; M560-F593 HydrophobicContact SD-CE2 4.37Å; I574-F593 HydrophobicContact CB-CD2 4.37Å; I574-F593 HydrophobicContact CB-CE2 3.72Å; I574-F593 HydrophobicContact CB-CZ 4Å; I574-F593 HydrophobicContact CD1-CD2 3.7Å; I574-F593 HydrophobicContact CD1-CE2 3.94Å; I574-F593 HydrophobicContact CD1-CG 4.03Å; I574-F593 HydrophobicContact CD1-CZ 4.45Å; I574-F593 HydrophobicContact CG1-CD2 4.38Å; I574-F593 HydrophobicContact CG1-CE2 4.22Å; I574-F593 HydrophobicContact CG2-CE2 4.2Å; I574-F593 HydrophobicContact CG2-CZ 3.96Å; M579-F593 HydrophobicContact CG-CE1 4.05Å; M579-F593 HydrophobicContact CG-CZ 4.47Å; P589-F593 HydrophobicContact CB-CB 4.11Å; P589-F593 HydrophobicContact CB-CD1 3.62Å; P589-F593 HydrophobicContact CB-CE1 4.43Å; P589-F593 HydrophobicContact CB-CG 4.13Å; P589-F593 HydrophobicContact CG-CD1 3.98Å; P590-F593 WeakPolarHBondContact O-CB 3.44Å; P590-F593 PolarHBondContact O-N 3.45Å
594M95.4Very high94.4Very high16 Ų1659.2 Ų59.28%0.07930%0.302CS..SBendtrans-145.2151.8178.5-172.4176.2-65.200108.8I410 H411 A598 W599 L602I410-M594 WeakPolarHBondContact O-CE 3.29Å; H411-M594 HydrophobicContact CB-CE 3.87Å; M594-A598 HydrophobicContact CG-CB 4.13Å; M594-A598 HydrophobicContact SD-CB 4.38Å; M594-W599 HydrophobicContact CB-CB 4.49Å; M594-W599 HydrophobicContact CG-CB 4.37Å; M594-W599 HydrophobicContact SD-CB 4.14Å; M594-W599 HydrophobicContact SD-CE3 4.03Å; M594-L602 HydrophobicContact CE-CD1 3.65Å; M594-L602 HydrophobicContact SD-CD1 3.62Å
595A94.3Very high94.6Very high8 Ų855.7 Ų55.77%0.06629%0.289CS..  trans-56.1146.8169.900000111.2N412 E465 V467 A598 W599N412-A595 PolarHBondContact OD1-N 3.3Å; E465-A595 HydrophobicContact CB-CB 4.21Å; E465-A595 VanDerWaalsContact CD-CB 3.45Å; E465-A595 HydrophobicContact CG-CB 4.42Å; E465-A595 WeakPolarHBondContact OE1-CB 3.47Å; V467-A595 HydrophobicContact CG2-CB 3.54Å; A595-A598 HydrophobicContact CB-CB 3.78Å; A595-A598 PolarHBondContact O-N 2.94Å; A595-W599 WeakPolarHBondContact O-CB 3.28Å; A595-W599 PolarHBondContact O-N 3.26Å
596E95.6Very high94.6Very high151 Ų15150.2 Ų50.271%0.70626%0.263SS*.Hα-helixtrans-70.4-47.2-169.4-172.1-172.8155.800111.9E465 A598 W599 K600E465-E596 PolarHBondContact OE1-N 3.25Å; E465-E596 PolarHBondContact OE2-N 2.95Å; E596-A598 VanDerWaalsContact C-N 3.28Å; E596-A598 PolarHBondContact O-N 3.49Å; E596-W599 PolarHBondContact O-N 2.97Å; E596-K600 WeakPolarHBondContact O-CB 3.34Å; E596-K600 PolarHBondContact O-N 3.38Å
597K96.5Very high94.8Very high106 Ų10649.9 Ų49.946%0.46125%0.254SS..Hα-helixtrans-63.4-40174.6-52.9179.2-170.9164.10110A461 D464 E465 K600 V601A461-K597 HydrophobicContact CB-CB 3.95Å; D464-K597 PolarHBondContact O-NZ 3.44Å; E465-K597 VanDerWaalsContact CD-N 3.28Å; E465-K597 HydrophobicContact CG-CB 4.12Å; E465-K597 HydrophobicContact CG-CD 3.69Å; E465-K597 HydrophobicContact CG-CG 3.79Å; E465-K597 VanDerWaalsContact OE1-CA 3.24Å; E465-K597 WeakPolarHBondContact OE1-CA 3.24Å; E465-K597 WeakPolarHBondContact OE1-CB 3.43Å; E465-K597 PolarHBondContact OE1-N 3.38Å; E465-K597 PolarHBondContact OE2-N 3.41Å; K597-K600 PolarHBondContact O-N 2.99Å; K597-V601 WeakPolarHBondContact O-CG2 3.4Å; K597-V601 PolarHBondContact O-N 2.82Å
598A96.1Very high94.6Very high0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-64.2-41.5178.600000112Q458 A461 C462 E465 M594 A595 E596 V601 L602Q458-A598 HydrophobicContact CG-CB 4.16Å; Q458-A598 WeakPolarHBondContact CG-O 3.21Å; A461-A598 HydrophobicContact CB-CB 4.04Å; C462-A598 VanDerWaalsContact SG-CB 3.59Å; E465-A598 PolarHBondContact OE1-N 3.27Å; M594-A598 HydrophobicContact CG-CB 4.13Å; M594-A598 HydrophobicContact SD-CB 4.38Å; A595-A598 HydrophobicContact CB-CB 3.78Å; A595-A598 PolarHBondContact O-N 2.94Å; E596-A598 VanDerWaalsContact C-N 3.28Å; E596-A598 PolarHBondContact O-N 3.49Å; A598-V601 PolarHBondContact O-N 3.06Å; A598-L602 PolarHBondContact O-N 2.98Å
599W97Very high94.2Very high3 Ų349.1 Ų49.11%0.01125%0.251CS..Hα-helixtrans-63.5-45.1172.8174.7-110.5000111.6M579 L582 A583 M587 E588 P589 M594 A595 E596 V601 L602 S603M579-W599 HydrophobicContact CG-CH2 4.46Å; M579-W599 HydrophobicContact CG-CZ3 3.8Å; M579-W599 HydrophobicContact SD-CH2 4.45Å; M579-W599 HydrophobicContact SD-CZ3 3.81Å; L582-W599 HydrophobicContact CB-CH2 3.92Å; L582-W599 HydrophobicContact CB-CZ2 4.22Å; A583-W599 HydrophobicContact CB-CH2 3.59Å; A583-W599 HydrophobicContact CB-CZ2 3.97Å; A583-W599 HydrophobicContact CB-CZ3 4.3Å; M587-W599 WeakPolarHBondContact O-CZ2 3.48Å; E588-W599 PolarHBondContact OE1-NE1 3.42Å; E588-W599 VanDerWaalsContact OE1-NE1 3.12Å; E588-W599 PolarHBondContact OE2-NE1 3.45Å; E588-W599 VanDerWaalsContact OE2-NE1 3.12Å; P589-W599 HydrophobicContact CG-CD2 3.78Å; P589-W599 HydrophobicContact CG-CE3 3.92Å; P589-W599 HydrophobicContact CG-CG 4.21Å; P589-W599 HydrophobicContact CG-CH2 4.43Å; P589-W599 HydrophobicContact CG-CZ2 4.36Å; P589-W599 HydrophobicContact CG-CZ3 4.24Å; M594-W599 HydrophobicContact CB-CB 4.49Å; M594-W599 HydrophobicContact CG-CB 4.37Å; M594-W599 HydrophobicContact SD-CB 4.14Å; M594-W599 HydrophobicContact SD-CE3 4.03Å; A595-W599 WeakPolarHBondContact O-CB 3.28Å; A595-W599 PolarHBondContact O-N 3.26Å; E596-W599 PolarHBondContact O-N 2.97Å; W599-V601 VanDerWaalsContact C-N 3.28Å; W599-V601 PolarHBondContact O-N 3.04Å; W599-L602 PolarHBondContact O-N 3.39Å; W599-S603 WeakPolarHBondContact O-CB 3.41Å; W599-S603 PolarHBondContact O-N 3.48Å
600K96.6Very high93.4Very high128 Ų12852.5 Ų52.556%0.55727%0.268SS*.Hα-helixtrans-57.7-38.7178.9-172.7172.7-175.5171.60112.6E596 K597 N604E596-K600 WeakPolarHBondContact O-CB 3.34Å; E596-K600 PolarHBondContact O-N 3.38Å; K597-K600 PolarHBondContact O-N 2.99Å; K600-N604 WeakPolarHBondContact O-CB 3.19Å; K600-N604 PolarHBondContact O-N 3.43Å; K600-N604 PolarHBondContact O-ND2 3.45Å
601V96.7Very high92.3Very high36 Ų3659.1 Ų59.122%0.21829%0.293CS..Hα-helixtrans-58.3-47.2173.3171.50000111.1I454 A457 Q458 A461 K597 A598 W599 Y605I454-V601 HydrophobicContact CG2-CG1 4.02Å; A457-V601 HydrophobicContact CB-CG1 3.97Å; Q458-V601 HydrophobicContact CB-CB 4.38Å; Q458-V601 HydrophobicContact CB-CG1 4Å; A461-V601 HydrophobicContact CB-CG2 4.34Å; K597-V601 WeakPolarHBondContact O-CG2 3.4Å; K597-V601 PolarHBondContact O-N 2.82Å; A598-V601 PolarHBondContact O-N 3.06Å; W599-V601 VanDerWaalsContact C-N 3.28Å; W599-V601 PolarHBondContact O-N 3.04Å; V601-Y605 PolarHBondContact O-N 2.98Å
602L94.9Very high90.8Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-70-46179.9-64.2179.2000112.8P409 V450 I454 Q458 M579 M594 A598 W599 N604 Y605 Y606P409-L602 HydrophobicContact CB-CD1 3.59Å; P409-L602 HydrophobicContact CB-CD2 3.89Å; P409-L602 HydrophobicContact CB-CG 4.32Å; P409-L602 HydrophobicContact CG-CD1 3.92Å; P409-L602 HydrophobicContact CG-CD2 3.55Å; P409-L602 HydrophobicContact CG-CG 4.39Å; V450-L602 HydrophobicContact CG1-CD2 4.09Å; V450-L602 HydrophobicContact CG2-CD2 4.5Å; I454-L602 HydrophobicContact CG2-CD2 4.13Å; Q458-L602 HydrophobicContact CB-CD2 4.43Å; Q458-L602 HydrophobicContact CG-CD1 4.25Å; Q458-L602 HydrophobicContact CG-CD2 4.16Å; Q458-L602 HydrophobicContact CG-CG 3.97Å; M579-L602 HydrophobicContact SD-CD1 4.28Å; M594-L602 HydrophobicContact CE-CD1 3.65Å; M594-L602 HydrophobicContact SD-CD1 3.62Å; A598-L602 PolarHBondContact O-N 2.98Å; W599-L602 PolarHBondContact O-N 3.39Å; L602-N604 PolarHBondContact O-N 2.91Å; L602-Y605 PolarHBondContact O-N 3.35Å; L602-Y606 VanDerWaalsContact O-CD2 3.32Å; L602-Y606 WeakPolarHBondContact O-CD2 3.48Å; L602-Y606 PolarHBondContact O-N 3.42Å
603S95.6Very high88.8Confident11 Ų1164.7 Ų64.78%0.07733%0.332CS..Hα-helixtrans-58.3-47.6178.5-176.20000111W599 Y605 Y606 C607W599-S603 WeakPolarHBondContact O-CB 3.41Å; W599-S603 PolarHBondContact O-N 3.48Å; S603-Y605 PolarHBondContact O-N 3.14Å; S603-Y606 PolarHBondContact O-N 3.48Å; S603-C607 VanDerWaalsContact O-CB 3.27Å; S603-C607 WeakPolarHBondContact O-CB 3.43Å; S603-C607 PolarHBondContact O-N 3.46Å; S603-C607 PolarHBondContact O-SG 2.87Å
604N95.5Very high88.5Confident80 Ų8067.6 Ų67.643%0.42835%0.347SS..Hα-helixtrans-58.1-45.5175.7-74.2-18.6000112.6K600 L602 Q608K600-N604 WeakPolarHBondContact O-CB 3.19Å; K600-N604 PolarHBondContact O-N 3.43Å; K600-N604 PolarHBondContact O-ND2 3.45Å; L602-N604 PolarHBondContact O-N 2.91Å; N604-Q608 WeakPolarHBondContact O-CB 3.44Å; N604-Q608 VanDerWaalsContact O-CG 3.23Å; N604-Q608 WeakPolarHBondContact O-CG 3.14Å; N604-Q608 PolarHBondContact O-N 3.26Å
605Y95.1Very high88.1Confident40 Ų4070.3 Ų70.316%0.15736%0.361CS..Hα-helixtrans-59.8-51177.6166.3-110.4000111.6P451 I454 V601 L602 S603 C607 Q608 L609P451-Y605 WeakPolarHBondContact CD-OH 3.37Å; P451-Y605 HydrophobicContact CG-CE2 3.95Å; P451-Y605 WeakPolarHBondContact CG-OH 3.26Å; I454-Y605 HydrophobicContact CD1-CD2 4.07Å; I454-Y605 HydrophobicContact CD1-CG 4.36Å; I454-Y605 HydrophobicContact CG1-CD2 3.77Å; I454-Y605 HydrophobicContact CG1-CE2 4.26Å; I454-Y605 HydrophobicContact CG1-CG 3.99Å; I454-Y605 HydrophobicContact CG2-CD1 4.27Å; I454-Y605 HydrophobicContact CG2-CG 4.02Å; V601-Y605 PolarHBondContact O-N 2.98Å; L602-Y605 PolarHBondContact O-N 3.35Å; S603-Y605 PolarHBondContact O-N 3.14Å; Y605-C607 PolarHBondContact O-N 3.03Å; Y605-Q608 PolarHBondContact O-N 3.41Å; Y605-L609 HydrophobicContact CD1-CD1 4.42Å; Y605-L609 HydrophobicContact CE1-CD1 3.74Å; Y605-L609 HydrophobicContact CE2-CD1 3.98Å; Y605-L609 HydrophobicContact CE2-CD2 4.22Å; Y605-L609 HydrophobicContact CE2-CG 4.12Å; Y605-L609 VanDerWaalsContact CZ-CD1 3.47Å; Y605-L609 PolarHBondContact O-N 3.27Å; Y605-L609 WeakPolarHBondContact OH-CD1 3.39Å
606Y93Very high87.8Confident4 Ų473.7 Ų73.72%0.01638%0.378CS..Hα-helixtrans-68.7-35.1-178.5-80.2-62.3000113.4V450 R580 A583 R584 L602 S603 Q608 L609 N610V450-Y606 HydrophobicContact CG2-CE2 4.2Å; V450-Y606 WeakPolarHBondContact CG2-OH 3.02Å; R580-Y606 HydrophobicContact CB-CE1 4.5Å; R580-Y606 WeakPolarHBondContact CD-OH 3.41Å; R580-Y606 HydrophobicContact CG-CE1 4.14Å; R580-Y606 HydrophobicContact CG-CE2 3.93Å; R580-Y606 VanDerWaalsContact CG-OH 3.3Å; R580-Y606 WeakPolarHBondContact CG-OH 3.46Å; A583-Y606 HydrophobicContact CB-CD2 3.51Å; A583-Y606 HydrophobicContact CB-CE2 4.43Å; A583-Y606 HydrophobicContact CB-CG 3.97Å; R584-Y606 HydrophobicContact CG-CD1 3.98Å; R584-Y606 HydrophobicContact CG-CG 4.19Å; L602-Y606 VanDerWaalsContact O-CD2 3.32Å; L602-Y606 WeakPolarHBondContact O-CD2 3.48Å; L602-Y606 PolarHBondContact O-N 3.42Å; S603-Y606 PolarHBondContact O-N 3.48Å; Y606-Q608 VanDerWaalsContact C-N 3.33Å; Y606-L609 HydrophobicContact CD1-CD1 3.95Å; Y606-L609 HydrophobicContact CE1-CD1 4.31Å; Y606-L609 PolarHBondContact O-N 2.94Å; Y606-N610 PolarHBondContact O-N 2.88Å
607C91.9Very high87.3Confident36 Ų3669.2 Ų69.224%0.24336%0.358CS..Hα-helixtrans-66.1-34.6173.9-75.60000112.3A583 S603 Y605 N610A583-C607 PolarHBondContact O-SG 3.06Å; S603-C607 VanDerWaalsContact O-CB 3.27Å; S603-C607 WeakPolarHBondContact O-CB 3.43Å; S603-C607 PolarHBondContact O-N 3.46Å; S603-C607 PolarHBondContact O-SG 2.87Å; Y605-C607 PolarHBondContact O-N 3.03Å; C607-N610 PolarHBondContact O-N 3.12Å
608Q89.7Confident86.8Confident128 Ų12866.9 Ų66.960%0.59835%0.352SS*.Hα-helixtrans-69-37.3176.4-76.5172.90.700112.3N604 Y605 Y606 N610 K611 S612N604-Q608 WeakPolarHBondContact O-CB 3.44Å; N604-Q608 VanDerWaalsContact O-CG 3.23Å; N604-Q608 WeakPolarHBondContact O-CG 3.14Å; N604-Q608 PolarHBondContact O-N 3.26Å; Y605-Q608 PolarHBondContact O-N 3.41Å; Y606-Q608 VanDerWaalsContact C-N 3.33Å; Q608-N610 PolarHBondContact O-N 3.34Å; Q608-K611 PolarHBondContact O-N 3.14Å; Q608-S612 PolarHBondContact O-N 3.33Å; Q608-S612 PolarHBondContact O-OG 3.37Å
609L86Confident86.1Confident63 Ų6371.3 Ų71.333%0.3338%0.375SS..Hα-helixtrans-59.2-35.8175.3-69.8173.8000112.5Y605 Y606 K611 S612Y605-L609 HydrophobicContact CD1-CD1 4.42Å; Y605-L609 HydrophobicContact CE1-CD1 3.74Å; Y605-L609 HydrophobicContact CE2-CD1 3.98Å; Y605-L609 HydrophobicContact CE2-CD2 4.22Å; Y605-L609 HydrophobicContact CE2-CG 4.12Å; Y605-L609 VanDerWaalsContact CZ-CD1 3.47Å; Y605-L609 PolarHBondContact O-N 3.27Å; Y605-L609 WeakPolarHBondContact OH-CD1 3.39Å; Y606-L609 HydrophobicContact CD1-CD1 3.95Å; Y606-L609 HydrophobicContact CE1-CD1 4.31Å; Y606-L609 PolarHBondContact O-N 2.94Å; L609-K611 VanDerWaalsContact C-N 3.3Å; L609-K611 PolarHBondContact O-N 3.16Å; L609-S612 WeakPolarHBondContact CA-OG 3.02Å; L609-S612 PolarHBondContact O-N 2.74Å; L609-S612 PolarHBondContact O-OG 2.78Å
610N76.1Confident85.4Confident86 Ų8676.2 Ų76.246%0.4640%0.401SS..Hα-helixtrans-71.9-20.7176.8-76-8.1000113.6R584 Y606 C607 Q608R584-N610 PolarHBondContact O-ND2 3.1Å; Y606-N610 PolarHBondContact O-N 2.88Å; C607-N610 PolarHBondContact O-N 3.12Å; Q608-N610 PolarHBondContact O-N 3.34Å
611K72.8Confident84.5Confident181 Ų18172.2 Ų72.279%0.78739%0.389SS*.Hα-helixtrans-86.9-17.6177.3-66.2-178-178.8-178.60113Q608 L609Q608-K611 PolarHBondContact O-N 3.14Å; L609-K611 VanDerWaalsContact C-N 3.3Å; L609-K611 PolarHBondContact O-N 3.16Å
612S60.3Low83.5Confident94 Ų9475.3 Ų75.366%0.65740%0.404SS*.  trans-91.1-3.5179.949.70000114.3Q608 L609Q608-S612 PolarHBondContact O-N 3.33Å; Q608-S612 PolarHBondContact O-OG 3.37Å; L609-S612 WeakPolarHBondContact CA-OG 3.02Å; L609-S612 PolarHBondContact O-N 2.74Å; L609-S612 PolarHBondContact O-OG 2.78Å
613V50.9Low82.4Confident180 Ų18082.1 Ų82.1100%1.09144%0.44SS*.  trans-102.80169.3-174.80000107.6

Retrieved 613 of 613 residues in 147.2 ms (Link to these results)

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