A0A087XJF6_POEFO Loading...

Glypican 6b

Cell surface proteoglycan.

AlphaFold DB , UniProt , Accession A0A087XJF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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
1M53.2Low56Low210 Ų210124.9 Ų124.9100%1.03462%0.624SS**  0-65.20-72.5161.7179.100110.6R3 L4M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 2.94Å
2L51.7Low56.1Low139 Ų139119.6 Ų119.673%0.72861%0.608SS**Hα-helixtrans-29.4-48.5-178.4-91.968.5000118.4L4 E5 T6L2-L4 PolarHBondContact O-N 3.31Å; L2-E5 WeakPolarHBondContact CA-OE2 3.37Å; L2-E5 PolarHBondContact N-OE2 3.36Å; L2-E5 PolarHBondContact O-N 3.07Å; L2-T6 PolarHBondContact O-N 2.86Å; L2-T6 PolarHBondContact O-OG1 2.78Å
3R53.4Low56Low220 Ų220118.3 Ų118.383%0.8361%0.609SS**Hα-helixtrans-62.8-25-178.8-78-167.9177.4-169.2-0.2114.6M1 T6 I7M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.28Å; R3-T6 WeakPolarHBondContact CA-OG1 3.49Å; R3-T6 PolarHBondContact O-OG1 2.9Å; R3-I7 WeakPolarHBondContact O-CD1 3.37Å; R3-I7 VanDerWaalsContact O-CG1 3.3Å; R3-I7 WeakPolarHBondContact O-CG1 3.25Å
4L54.7Low55.8Low117 Ų117117.8 Ų117.861%0.61361%0.607SS**Hα-helixtrans-78.7-42.3178.7-165.369.4000110.9M1 L2 T6 I7 I8M1-L4 PolarHBondContact O-N 2.94Å; L2-L4 PolarHBondContact O-N 3.31Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.16Å; L4-I7 PolarHBondContact O-N 3.25Å; L4-I7 VanDerWaalsContact O-N 3.16Å; L4-I8 HydrophobicContact CG-CD1 4.2Å; L4-I8 WeakPolarHBondContact O-CG1 3.23Å; L4-I8 PolarHBondContact O-N 2.77Å
5E54.5Low55.6Low113 Ų113114.6 Ų114.653%0.52860%0.599SS.*Hα-helixtrans-60.9-43.3176.9-65.816313000110.8L2 I7 I8 C9L2-E5 WeakPolarHBondContact CA-OE2 3.37Å; L2-E5 PolarHBondContact N-OE2 3.36Å; L2-E5 PolarHBondContact O-N 3.07Å; E5-I7 VanDerWaalsContact C-N 3.3Å; E5-I7 PolarHBondContact O-N 3.36Å; E5-I8 PolarHBondContact O-N 2.65Å; E5-C9 WeakPolarHBondContact O-CB 3.3Å; E5-C9 PolarHBondContact O-N 3.28Å; E5-C9 PolarHBondContact O-SG 3.4Å; E5-C9 VanDerWaalsContact O-SG 3.32Å
6T57Low55.2Low83 Ų83113.9 Ų113.951%0.50960%0.601SS.*Hα-helixtrans-61.3-34.7175.649.20000113.7L2 R3 L4 T10L2-T6 PolarHBondContact O-N 2.86Å; L2-T6 PolarHBondContact O-OG1 2.78Å; R3-T6 WeakPolarHBondContact CA-OG1 3.49Å; R3-T6 PolarHBondContact O-OG1 2.9Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.16Å; T6-T10 WeakPolarHBondContact O-CG2 3.11Å; T6-T10 PolarHBondContact O-N 3.39Å; T6-T10 VanDerWaalsContact O-N 3.08Å; T6-T10 PolarHBondContact O-OG1 3.44Å
7I58.5Low54.7Low93 Ų93110.8 Ų110.848%0.47760%0.595SS.*Hα-helixtrans-75.3-38.8178.6-67.8167.6000110.7R3 L4 E5 T10 F11R3-I7 WeakPolarHBondContact O-CD1 3.37Å; R3-I7 VanDerWaalsContact O-CG1 3.3Å; R3-I7 WeakPolarHBondContact O-CG1 3.25Å; L4-I7 PolarHBondContact O-N 3.25Å; L4-I7 VanDerWaalsContact O-N 3.16Å; E5-I7 VanDerWaalsContact C-N 3.3Å; E5-I7 PolarHBondContact O-N 3.36Å; I7-T10 PolarHBondContact O-N 3.39Å; I7-T10 PolarHBondContact O-OG1 3.15Å; I7-T10 VanDerWaalsContact O-OG1 3.08Å; I7-F11 HydrophobicContact CG2-CD2 4.22Å; I7-F11 PolarHBondContact O-N 3.49Å
8I60Low53.9Low98 Ų98109.6 Ų109.650%0.50360%0.603SS.*Hα-helixtrans-63.8-46.1174.3-66.2165.7000109.6L4 E5 T10 F11 S12L4-I8 HydrophobicContact CG-CD1 4.2Å; L4-I8 WeakPolarHBondContact O-CG1 3.23Å; L4-I8 PolarHBondContact O-N 2.77Å; E5-I8 PolarHBondContact O-N 2.65Å; I8-T10 PolarHBondContact O-N 2.67Å; I8-F11 PolarHBondContact O-N 2.84Å; I8-S12 WeakPolarHBondContact O-CB 3.47Å; I8-S12 PolarHBondContact O-N 3.08Å; I8-S12 PolarHBondContact O-OG 3.46Å
9C57.6Low53.2Low79 Ų79115.1 Ų115.153%0.53461%0.614SS.*Hα-helixtrans-60.7-41.5176.8-70.20000113E5 S12 V13E5-C9 WeakPolarHBondContact O-CB 3.3Å; E5-C9 PolarHBondContact O-N 3.28Å; E5-C9 PolarHBondContact O-SG 3.4Å; E5-C9 VanDerWaalsContact O-SG 3.32Å; C9-S12 PolarHBondContact O-N 2.98Å; C9-V13 WeakPolarHBondContact O-CB 3.28Å; C9-V13 WeakPolarHBondContact O-CG2 3.39Å; C9-V13 PolarHBondContact O-N 3.48Å
10T58.3Low52.4Low78 Ų78113.4 Ų113.448%0.47962%0.616SS.*Hα-helixtrans-68.7-36.5176.252.60000112.5T6 I7 I8 V13 L14T6-T10 WeakPolarHBondContact O-CG2 3.11Å; T6-T10 PolarHBondContact O-N 3.39Å; T6-T10 VanDerWaalsContact O-N 3.08Å; T6-T10 PolarHBondContact O-OG1 3.44Å; I7-T10 PolarHBondContact O-N 3.39Å; I7-T10 PolarHBondContact O-OG1 3.15Å; I7-T10 VanDerWaalsContact O-OG1 3.08Å; I8-T10 PolarHBondContact O-N 2.67Å; T10-V13 PolarHBondContact O-N 2.84Å; T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 WeakPolarHBondContact O-CG 3.28Å; T10-L14 PolarHBondContact O-N 2.89Å
11F56.8Low51.8Low144 Ų144113 Ų11363%0.63261%0.614SS**Hα-helixtrans-68-36172.1-97.6-86.9000113.2I7 I8 L14 S15I7-F11 HydrophobicContact CG2-CD2 4.22Å; I7-F11 PolarHBondContact O-N 3.49Å; I8-F11 PolarHBondContact O-N 2.84Å; F11-L14 PolarHBondContact O-N 2.91Å; F11-S15 WeakPolarHBondContact O-CB 3.44Å; F11-S15 PolarHBondContact O-N 3.5Å; F11-S15 PolarHBondContact O-OG 3.37Å
12S57.2Low51.3Low61 Ų61113 Ų11343%0.42761%0.608SS.*Hα-helixtrans-65.2-43.4171.9-64.70000111.8I8 C9 S15 V16I8-S12 WeakPolarHBondContact O-CB 3.47Å; I8-S12 PolarHBondContact O-N 3.08Å; I8-S12 PolarHBondContact O-OG 3.46Å; C9-S12 PolarHBondContact O-N 2.98Å; S12-S15 WeakPolarHBondContact CA-OG 3.47Å; S12-S15 PolarHBondContact O-N 2.82Å; S12-S15 PolarHBondContact O-OG 2.83Å; S12-V16 WeakPolarHBondContact O-CB 3.48Å; S12-V16 VanDerWaalsContact O-CG2 3.29Å; S12-V16 WeakPolarHBondContact O-CG2 3.49Å; S12-V16 PolarHBondContact O-N 3.16Å
13V55.8Low51Low103 Ų103113.5 Ų113.562%0.62461%0.605SS**Hα-helixtrans-65.9-40.2175.6170.90000111.3C9 T10 V16 A17C9-V13 WeakPolarHBondContact O-CB 3.28Å; C9-V13 WeakPolarHBondContact O-CG2 3.39Å; C9-V13 PolarHBondContact O-N 3.48Å; T10-V13 PolarHBondContact O-N 2.84Å; V13-V16 PolarHBondContact O-N 3.31Å; V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.37Å; V13-A17 PolarHBondContact O-N 3.49Å
14L52.6Low51Low111 Ų111105.2 Ų105.258%0.58158%0.583SS**Hα-helixtrans-67.4-37.6175.9-79164.7000113.1T10 F11 A17 A18T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 WeakPolarHBondContact O-CG 3.28Å; T10-L14 PolarHBondContact O-N 2.89Å; F11-L14 PolarHBondContact O-N 2.91Å; L14-A17 PolarHBondContact O-N 2.84Å; L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 3.13Å
15S52.7Low51.7Low70 Ų70106.3 Ų106.349%0.4958%0.579SS.*Hα-helixtrans-76.8-22.3176.452.20000113.7F11 S12F11-S15 WeakPolarHBondContact O-CB 3.44Å; F11-S15 PolarHBondContact O-N 3.5Å; F11-S15 PolarHBondContact O-OG 3.37Å; S12-S15 WeakPolarHBondContact CA-OG 3.47Å; S12-S15 PolarHBondContact O-N 2.82Å; S12-S15 PolarHBondContact O-OG 2.83Å
16V49.7Very low53.1Low104 Ų104106 Ų10663%0.6358%0.581SS**Hα-helixtrans-77.7-38.9165.9170.60000111.2S12 V13 A18 R19 A20S12-V16 WeakPolarHBondContact O-CB 3.48Å; S12-V16 VanDerWaalsContact O-CG2 3.29Å; S12-V16 WeakPolarHBondContact O-CG2 3.49Å; S12-V16 PolarHBondContact O-N 3.16Å; V13-V16 PolarHBondContact O-N 3.31Å; V16-A18 VanDerWaalsContact C-N 3.35Å; V16-R19 CarbonylContact O-C 3.33Å; V16-R19 WeakPolarHBondContact O-CA 3.49Å; V16-R19 WeakPolarHBondContact O-CB 3.49Å; V16-R19 PolarHBondContact O-N 3.01Å; V16-A20 PolarHBondContact O-N 3.09Å
17A45.8Very low54.7Low60 Ų60102 Ų10250%0.49656%0.557SS.*Hα-helixtrans-66.2-35.317400000112.4V13 L14 R19 A20V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.37Å; V13-A17 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 2.84Å; A17-R19 PolarHBondContact O-N 2.88Å; A17-A20 WeakPolarHBondContact O-CB 3.39Å; A17-A20 PolarHBondContact O-N 3.27Å
18A41.2Very low56.1Low89 Ų8998.8 Ų98.874%0.73654%0.542SS*.THydrogen-bonded Turntrans-69.2-3.7168.900000113.7L14 V16L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 3.13Å; V16-A18 VanDerWaalsContact C-N 3.35Å
19R40.4Very low57.5Low215 Ų215100.4 Ų100.481%0.81155%0.548SS*.THydrogen-bonded Turntrans-111.724.9167.9-71.5-176.6171.7-171.5-1.6112.3V16 A17 D21V16-R19 CarbonylContact O-C 3.33Å; V16-R19 WeakPolarHBondContact O-CA 3.49Å; V16-R19 WeakPolarHBondContact O-CB 3.49Å; V16-R19 PolarHBondContact O-N 3.01Å; A17-R19 PolarHBondContact O-N 2.88Å; R19-D21 PolarHBondContact O-N 2.84Å
20A36.1Very low59Low81 Ų8196.7 Ų96.767%0.66952%0.523SS*.SBendtrans-68.782.4165.700000110.4V16 A17 F22V16-A20 PolarHBondContact O-N 3.09Å; A17-A20 WeakPolarHBondContact O-CB 3.39Å; A17-A20 PolarHBondContact O-N 3.27Å; A20-F22 PolarHBondContact O-N 2.95Å
21D40.6Very low60.5Low104 Ų10497.1 Ų97.156%0.55652%0.516SS*.  trans29.283.9165.1-79.2-30.8000116.6R19 K23R19-D21 PolarHBondContact O-N 2.84Å; D21-K23 HydrophobicContact CB-CB 4.23Å; D21-K23 HydrophobicContact CB-CD 4.01Å; D21-K23 HydrophobicContact CB-CG 3.9Å; D21-K23 PolarHBondContact O-N 2.84Å; D21-K23 IonicContact OD1-NZ 3.52Å; D21-K23 WeakPolarHBondContact OD2-CD 3.49Å; D21-K23 WeakPolarHBondContact OD2-CE 3.29Å; D21-K23 IonicContact OD2-NZ 2.69Å; D21-K23 PolarHBondContact OD2-NZ 2.96Å
22F43.2Very low62Low210 Ų21093.4 Ų93.492%0.92150%0.502SS*.  trans-6867.1139.8-101.7-83.9000108.5A20 A24A20-F22 PolarHBondContact O-N 2.95Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.95Å
23K44.6Very low63.6Low150 Ų15091.3 Ų91.365%0.65249%0.489SS*.  trans-71.893.8167.8-93.9171.7177.9147.30107.4D21 R25D21-K23 HydrophobicContact CB-CB 4.23Å; D21-K23 HydrophobicContact CB-CD 4.01Å; D21-K23 HydrophobicContact CB-CG 3.9Å; D21-K23 PolarHBondContact O-N 2.84Å; D21-K23 IonicContact OD1-NZ 3.52Å; D21-K23 WeakPolarHBondContact OD2-CD 3.49Å; D21-K23 WeakPolarHBondContact OD2-CE 3.29Å; D21-K23 IonicContact OD2-NZ 2.69Å; D21-K23 PolarHBondContact OD2-NZ 2.96Å; K23-R25 PolarHBondContact O-N 3.05Å; K23-R25 VanDerWaalsContact O-N 3.16Å
24A54.5Low65.3Low46 Ų4686.4 Ų86.438%0.3846%0.459SS..PPolyproline II helixtrans-46.9122.3163.100000107.9F22 Q47F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.95Å; A24-Q47 HydrophobicContact CB-CB 4.23Å
25R69.4Low67Low140 Ų14086.2 Ų86.253%0.52846%0.458SS..PPolyproline II helixtrans-67.7142.8-169.5-62165.3160.4-160.7-4.4109.1K23 C27 Q47 E48K23-R25 PolarHBondContact O-N 3.05Å; K23-R25 VanDerWaalsContact O-N 3.16Å; R25-C27 PolarHBondContact O-N 3.39Å; R25-Q47 WeakPolarHBondContact O-CA 3.45Å; R25-E48 VanDerWaalsContact CB-CD 3.47Å; R25-E48 HydrophobicContact CB-CG 4.04Å; R25-E48 VanDerWaalsContact CB-OE2 3.26Å; R25-E48 WeakPolarHBondContact CB-OE2 3.36Å; R25-E48 VanDerWaalsContact CD-OE1 3.26Å; R25-E48 WeakPolarHBondContact CD-OE1 3.43Å; R25-E48 VanDerWaalsContact CG-OE2 3.3Å; R25-E48 WeakPolarHBondContact CG-OE2 3.33Å; R25-E48 PolarHBondContact N-OE2 3.47Å; R25-E48 PolarHBondContact O-N 3.08Å
26N83.9Confident68.7Low106 Ų10691.1 Ų91.157%0.56747%0.473SS*.BIsolated β-bridgetrans-75.8119.2179.3174.913.1000109S28 H46N26-S28 VanDerWaalsContact CG-OG 3.31Å; N26-S28 PolarHBondContact ND2-OG 2.93Å; N26-S28 PolarHBondContact O-N 2.83Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 2.81Å; N26-S28 PolarHBondContact OD1-OG 3.49Å; N26-H46 PolarHBondContact OD1-O 2.94Å
27C89.6Confident70.5Confident0 Ų092.5 Ų92.50%047%0.467CS..THydrogen-bonded Turntrans-81.611.5-179.1-63.20000113.3R25 E29 V30 R31 P45 H46 C63R25-C27 PolarHBondContact O-N 3.39Å; C27-E29 VanDerWaalsContact C-N 3.35Å; C27-E29 PolarHBondContact O-N 3.49Å; C27-V30 WeakPolarHBondContact O-CB 3.26Å; C27-V30 PolarHBondContact O-N 2.68Å; C27-V30 VanDerWaalsContact O-N 3.11Å; C27-R31 PolarHBondContact O-N 3.3Å; C27-P45 WeakPolarHBondContact CB-O 3.45Å; C27-H46 PolarHBondContact N-O 2.89Å; C27-H46 VanDerWaalsContact N-O 3.1Å; C27-C63 HydrophobicContact CB-CB 3.72Å; C27-C63 WeakPolarHBondContact CB-SG 3.39Å; C27-C63 VanDerWaalsContact SG-CA 3.5Å; C27-C63 WeakPolarHBondContact SG-CB 3.48Å; C27-C63 CovalentContact SG-SG 2.04Å; C27-C63 PolarHBondContact SG-SG 2.98Å
28S87.6Confident72.4Confident25 Ų2592.7 Ų92.718%0.17548%0.475CS..Hα-helixtrans-57.1-43.517960.90000113.2N26 V30 R31 D32N26-S28 VanDerWaalsContact CG-OG 3.31Å; N26-S28 PolarHBondContact ND2-OG 2.93Å; N26-S28 PolarHBondContact O-N 2.83Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 2.81Å; N26-S28 PolarHBondContact OD1-OG 3.49Å; S28-V30 PolarHBondContact O-N 2.89Å; S28-R31 WeakPolarHBondContact O-CB 3.14Å; S28-R31 PolarHBondContact O-N 3.3Å; S28-D32 WeakPolarHBondContact O-CB 3.48Å; S28-D32 PolarHBondContact O-N 3.27Å; S28-D32 VanDerWaalsContact O-OD2 3.12Å
29E89Confident74.7Confident132 Ų13289.3 Ų89.362%0.61744%0.444SS*.Hα-helixtrans-59.8-35.7177.7-65.4178.9-160.600111.8C27 A33 P258C27-E29 VanDerWaalsContact C-N 3.35Å; C27-E29 PolarHBondContact O-N 3.49Å; E29-A33 VanDerWaalsContact O-CB 3.25Å; E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 3.4Å; E29-P258 HydrophobicContact CB-CG 4.43Å
30V89.8Confident76.8Confident1 Ų182.5 Ų82.51%0.00643%0.434CS..Hα-helixtrans-69.6-47.1176.5-175.70000110.8C27 S28 D32 C34 C63 F253C27-V30 WeakPolarHBondContact O-CB 3.26Å; C27-V30 PolarHBondContact O-N 2.68Å; C27-V30 VanDerWaalsContact O-N 3.11Å; S28-V30 PolarHBondContact O-N 2.89Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 2.91Å; V30-C34 VanDerWaalsContact O-CB 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.41Å; V30-C34 PolarHBondContact O-N 3.32Å; V30-C34 PolarHBondContact O-SG 3.45Å; V30-C63 HydrophobicContact CB-CB 4.2Å; V30-C63 HydrophobicContact CG1-CB 4.14Å; V30-C63 HydrophobicContact CG2-CB 3.86Å; V30-F253 HydrophobicContact CG1-CB 4Å; V30-F253 HydrophobicContact CG1-CD1 4.35Å; V30-F253 WeakPolarHBondContact CG1-O 3.23Å; V30-F253 WeakPolarHBondContact CG2-O 3.42Å
31R89.3Confident79.2Confident87 Ų8779.9 Ų79.933%0.32841%0.407SS..Hα-helixtrans-57.3-46.3175.6179.4-162.264.8-140.9-10.2111.1C27 S28 C34 L35 V44C27-R31 PolarHBondContact O-N 3.3Å; S28-R31 WeakPolarHBondContact O-CB 3.14Å; S28-R31 PolarHBondContact O-N 3.3Å; R31-C34 WeakPolarHBondContact O-CB 3.34Å; R31-C34 PolarHBondContact O-N 2.89Å; R31-L35 HydrophobicContact CG-CD1 4.44Å; R31-L35 WeakPolarHBondContact O-CG 3.28Å; R31-L35 PolarHBondContact O-N 3.02Å; R31-V44 HydrophobicContact CB-CB 4.2Å; R31-V44 HydrophobicContact CB-CG1 3.88Å; R31-V44 HydrophobicContact CG-CB 4.22Å; R31-V44 HydrophobicContact CG-CG1 4.45Å; R31-V44 HydrophobicContact CG-CG2 4.32Å
32D89.8Confident80.9Confident66 Ų6678.6 Ų78.635%0.35341%0.411SS..Hα-helixtrans-72.1-42.2-173.2-60-21.4000110.4S28 V30 C34 L35 E36S28-D32 WeakPolarHBondContact O-CB 3.48Å; S28-D32 PolarHBondContact O-N 3.27Å; S28-D32 VanDerWaalsContact O-OD2 3.12Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 2.91Å; D32-C34 VanDerWaalsContact C-N 3.33Å; D32-C34 PolarHBondContact O-N 3.05Å; D32-L35 WeakPolarHBondContact O-CB 3.3Å; D32-L35 PolarHBondContact O-N 2.9Å; D32-L35 VanDerWaalsContact O-N 3.16Å; D32-E36 PolarHBondContact O-N 3.46Å
33A90.8Very high82.5Confident17 Ų1775.8 Ų75.814%0.1440%0.4CS..Hα-helixtrans-66-29.5171.500000113.9E29 R37 F253 P258E29-A33 VanDerWaalsContact O-CB 3.25Å; E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 3.4Å; A33-R37 PolarHBondContact O-N 3.25Å; A33-F253 HydrophobicContact CB-CD1 4.48Å; A33-F253 HydrophobicContact CB-CE1 3.77Å; A33-P258 HydrophobicContact CB-CB 3.64Å; A33-P258 HydrophobicContact CB-CG 3.91Å
34C90.5Very high84.4Confident1 Ų169.8 Ų69.81%0.00738%0.376CS..Hα-helixtrans-65-42.3170.5-790000111.4V30 R31 D32 R37 G38 F39 F41V30-C34 VanDerWaalsContact O-CB 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.41Å; V30-C34 PolarHBondContact O-N 3.32Å; V30-C34 PolarHBondContact O-SG 3.45Å; R31-C34 WeakPolarHBondContact O-CB 3.34Å; R31-C34 PolarHBondContact O-N 2.89Å; D32-C34 VanDerWaalsContact C-N 3.33Å; D32-C34 PolarHBondContact O-N 3.05Å; C34-R37 CarbonylContact O-C 3.16Å; C34-R37 PolarHBondContact O-N 3.36Å; C34-G38 PolarHBondContact O-N 3.27Å; C34-F39 HydrophobicContact CB-CB 4.2Å; C34-F39 WeakPolarHBondContact O-CB 3.47Å; C34-F39 PolarHBondContact O-N 3Å; C34-F41 HydrophobicContact CB-CD2 4.29Å; C34-F41 HydrophobicContact CB-CE2 4.27Å
35L89.4Confident85.9Confident107 Ų10768.5 Ų68.556%0.5636%0.364SS*.Hα-helixtrans-66.3-40176.5-68.3169.5000111.8R31 D32 R37 G38R31-L35 HydrophobicContact CG-CD1 4.44Å; R31-L35 WeakPolarHBondContact O-CG 3.28Å; R31-L35 PolarHBondContact O-N 3.02Å; D32-L35 WeakPolarHBondContact O-CB 3.3Å; D32-L35 PolarHBondContact O-N 2.9Å; D32-L35 VanDerWaalsContact O-N 3.16Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 2.68Å; L35-G38 PolarHBondContact O-N 3.07Å
36E88.4Confident86.6Confident173 Ų17368.5 Ų68.581%0.80837%0.37SS*.Hα-helixtrans-60.1-36173.7-72.1-178.1164.700112.9D32 G38D32-E36 PolarHBondContact O-N 3.46Å; E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.02Å
37R85.7Confident86.8Confident132 Ų13269.4 Ų69.450%0.49837%0.37SS..THydrogen-bonded Turntrans-83.36.8172.3-70.9-168.2179-177.56.5114.2A33 C34 L35 F39A33-R37 PolarHBondContact O-N 3.25Å; C34-R37 CarbonylContact O-C 3.16Å; C34-R37 PolarHBondContact O-N 3.36Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 2.68Å; R37-F39 HydrophobicContact CB-CD2 3.66Å; R37-F39 HydrophobicContact CB-CE2 3.59Å; R37-F39 PolarHBondContact O-N 2.94Å
38G87.5Confident86.8Confident64 Ų6471.1 Ų71.166%0.6638%0.379SS*.THydrogen-bonded Turntrans7811.517600000115.7C34 L35 E36 A40C34-G38 PolarHBondContact O-N 3.27Å; L35-G38 PolarHBondContact O-N 3.07Å; E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.02Å; G38-A40 PolarHBondContact O-N 3.16Å
39F89.1Confident86.9Confident18 Ų1873 Ų738%0.07939%0.386CS..  trans-77.1102.6178.5-64.5-80.2000112.1C34 R37 F41 F72 Q75 Y250C34-F39 HydrophobicContact CB-CB 4.2Å; C34-F39 WeakPolarHBondContact O-CB 3.47Å; C34-F39 PolarHBondContact O-N 3Å; R37-F39 HydrophobicContact CB-CD2 3.66Å; R37-F39 HydrophobicContact CB-CE2 3.59Å; R37-F39 PolarHBondContact O-N 2.94Å; F39-F41 HydrophobicContact CB-CD2 3.83Å; F39-F41 HydrophobicContact CB-CE2 3.42Å; F39-F41 VanDerWaalsContact CB-CE2 3.42Å; F39-F41 HydrophobicContact CB-CZ 3.96Å; F39-F41 HydrophobicContact CD1-CE2 4.22Å; F39-F41 AromaticContact CD1-CZ 3.96Å; F39-F41 HydrophobicContact CD1-CZ 3.96Å; F39-F41 AromaticContact CG-CE2 3.9Å; F39-F41 HydrophobicContact CG-CE2 3.9Å; F39-F41 HydrophobicContact CG-CZ 4.13Å; F39-F41 PolarHBondContact O-N 3.17Å; F39-F41 VanDerWaalsContact O-N 3.16Å; F39-F72 HydrophobicContact CD1-CD1 4.42Å; F39-F72 HydrophobicContact CD1-CE1 4.18Å; F39-F72 AromaticContact CD2-CE1 4Å; F39-F72 HydrophobicContact CD2-CE1 4Å; F39-F72 AromaticContact CE1-CD1 3.79Å; F39-F72 HydrophobicContact CE1-CD1 3.79Å; F39-F72 AromaticContact CE1-CE1 3.91Å; F39-F72 HydrophobicContact CE1-CE1 3.91Å; F39-F72 HydrophobicContact CE2-CD1 4.17Å; F39-F72 AromaticContact CE2-CE1 3.71Å; F39-F72 HydrophobicContact CE2-CE1 3.71Å; F39-F72 HydrophobicContact CG-CE1 4.22Å; F39-F72 AromaticContact CZ-CD1 3.63Å; F39-F72 HydrophobicContact CZ-CD1 3.63Å; F39-F72 AromaticContact CZ-CE1 3.66Å; F39-F72 HydrophobicContact CZ-CE1 3.66Å; F39-Q75 HydrophobicContact CE1-CB 3.9Å; F39-Q75 HydrophobicContact CE1-CG 4.09Å; F39-Q75 HydrophobicContact CZ-CB 3.94Å; F39-Q75 HydrophobicContact CZ-CG 3.79Å; F39-Y250 AromaticContact CE2-CE1 3.86Å; F39-Y250 HydrophobicContact CE2-CE1 3.86Å; F39-Y250 HydrophobicContact CZ-CD1 4.44Å; F39-Y250 AromaticContact CZ-CE1 3.65Å; F39-Y250 HydrophobicContact CZ-CE1 3.65Å
40A84.1Confident86.8Confident73 Ų7370.8 Ų70.860%0.60338%0.383SS*.  trans-81.385.3171.100000111.8G38 R71G38-A40 PolarHBondContact O-N 3.16Å; A40-R71 PolarHBondContact O-NH1 3.42Å; A40-R71 PolarHBondContact O-NH2 3.02Å; A40-R71 VanDerWaalsContact O-NH2 3.14Å
41F85.8Confident86.7Confident26 Ų2671 Ų7111%0.11439%0.385CS..  trans-89.5137.6170.6-64.3-61.8000111.3C34 F39 V44 M68 R71 F72C34-F41 HydrophobicContact CB-CD2 4.29Å; C34-F41 HydrophobicContact CB-CE2 4.27Å; F39-F41 HydrophobicContact CB-CD2 3.83Å; F39-F41 HydrophobicContact CB-CE2 3.42Å; F39-F41 VanDerWaalsContact CB-CE2 3.42Å; F39-F41 HydrophobicContact CB-CZ 3.96Å; F39-F41 HydrophobicContact CD1-CE2 4.22Å; F39-F41 AromaticContact CD1-CZ 3.96Å; F39-F41 HydrophobicContact CD1-CZ 3.96Å; F39-F41 AromaticContact CG-CE2 3.9Å; F39-F41 HydrophobicContact CG-CE2 3.9Å; F39-F41 HydrophobicContact CG-CZ 4.13Å; F39-F41 PolarHBondContact O-N 3.17Å; F39-F41 VanDerWaalsContact O-N 3.16Å; F41-V44 HydrophobicContact CB-CG2 3.79Å; F41-V44 HydrophobicContact CD2-CG2 4.06Å; F41-V44 HydrophobicContact CG-CG2 4.33Å; F41-M68 HydrophobicContact CD1-CG 3.72Å; F41-M68 HydrophobicContact CD2-CE 4.25Å; F41-M68 HydrophobicContact CD2-CG 4.03Å; F41-M68 HydrophobicContact CE1-CB 4.04Å; F41-M68 HydrophobicContact CE1-CG 3.67Å; F41-M68 HydrophobicContact CE2-CB 4.47Å; F41-M68 HydrophobicContact CE2-CE 4.14Å; F41-M68 HydrophobicContact CE2-CG 3.97Å; F41-M68 HydrophobicContact CG-CG 3.91Å; F41-M68 HydrophobicContact CZ-CB 3.99Å; F41-M68 HydrophobicContact CZ-CG 3.8Å; F41-R71 HydrophobicContact CE1-CB 3.91Å; F41-R71 HydrophobicContact CE1-CG 4.06Å; F41-R71 HydrophobicContact CZ-CB 4.29Å; F41-F72 HydrophobicContact CE2-CE1 4.04Å; F41-F72 AromaticContact CE2-CZ 3.96Å; F41-F72 HydrophobicContact CE2-CZ 3.96Å; F41-F72 HydrophobicContact CZ-CD1 4.46Å; F41-F72 AromaticContact CZ-CE1 3.93Å; F41-F72 HydrophobicContact CZ-CE1 3.93Å; F41-F72 HydrophobicContact CZ-CZ 4.06Å
42A76.8Confident86.4Confident76 Ų7675.5 Ų75.563%0.62841%0.41SS*.SBendtrans-71.1-34.9177.800000112.5
43H77.4Confident86.2Confident151 Ų15178.4 Ų78.470%0.69943%0.426SS*.  trans-139.8104.1179.3-57.598000109.8
44V83.4Confident86.1Confident24 Ų2478.2 Ų78.215%0.14542%0.422CS..  trans-93.8130.2161-175.90000107.2R31 F41 M68R31-V44 HydrophobicContact CB-CB 4.2Å; R31-V44 HydrophobicContact CB-CG1 3.88Å; R31-V44 HydrophobicContact CG-CB 4.22Å; R31-V44 HydrophobicContact CG-CG1 4.45Å; R31-V44 HydrophobicContact CG-CG2 4.32Å; F41-V44 HydrophobicContact CB-CG2 3.79Å; F41-V44 HydrophobicContact CD2-CG2 4.06Å; F41-V44 HydrophobicContact CG-CG2 4.33Å; V44-M68 HydrophobicContact CG1-CE 4.05Å; V44-M68 HydrophobicContact CG1-SD 4.3Å; V44-M68 HydrophobicContact CG2-CE 4.33Å; V44-M68 HydrophobicContact CG2-SD 4.31Å
45P87.1Confident86.1Confident19 Ų1986.1 Ų86.112%0.12345%0.452CS..  trans-52.1144.6175.4-26.835000112.3C27 Q47 I49 C63 T65C27-P45 WeakPolarHBondContact CB-O 3.45Å; P45-Q47 VanDerWaalsContact CB-O 3.31Å; P45-Q47 WeakPolarHBondContact CB-O 3.17Å; P45-I49 HydrophobicContact CB-CG2 4.25Å; P45-I49 HydrophobicContact CG-CD1 3.91Å; P45-I49 HydrophobicContact CG-CG1 4.24Å; P45-C63 WeakPolarHBondContact CD-O 3.25Å; P45-T65 HydrophobicContact CG-CG2 4.18Å
46H84.5Confident86.3Confident140 Ų14082.5 Ų82.565%0.64843%0.434SS*.SBendtrans-84.7-27.6173.6-65.7-34.9000112.5N26 C27N26-H46 PolarHBondContact OD1-O 2.94Å; C27-H46 PolarHBondContact N-O 2.89Å; C27-H46 VanDerWaalsContact N-O 3.1Å
47Q87.6Confident86.4Confident125 Ų12574.3 Ų74.358%0.58440%0.396SS*.BIsolated β-bridgetrans-133.8160.8176.6-68.8177.5-13.100108.2A24 R25 P45 I49A24-Q47 HydrophobicContact CB-CB 4.23Å; R25-Q47 WeakPolarHBondContact O-CA 3.45Å; P45-Q47 VanDerWaalsContact CB-O 3.31Å; P45-Q47 WeakPolarHBondContact CB-O 3.17Å; Q47-I49 PolarHBondContact O-N 3.37Å
48E89Confident86.4Confident37 Ų3772.8 Ų72.817%0.17340%0.401CS..  trans-55.1133174.6-69.9171.4134.200112R25 H61 T62R25-E48 VanDerWaalsContact CB-CD 3.47Å; R25-E48 HydrophobicContact CB-CG 4.04Å; R25-E48 VanDerWaalsContact CB-OE2 3.26Å; R25-E48 WeakPolarHBondContact CB-OE2 3.36Å; R25-E48 VanDerWaalsContact CD-OE1 3.26Å; R25-E48 WeakPolarHBondContact CD-OE1 3.43Å; R25-E48 VanDerWaalsContact CG-OE2 3.3Å; R25-E48 WeakPolarHBondContact CG-OE2 3.33Å; R25-E48 PolarHBondContact N-OE2 3.47Å; R25-E48 PolarHBondContact O-N 3.08Å; E48-H61 HydrophobicContact CB-CB 4.16Å; E48-T62 WeakPolarHBondContact CA-O 3.29Å
49I90Very high86.3Confident63 Ų6371.2 Ų71.232%0.32338%0.376SS..EExtended strand (participates in β ladder)trans-109.3162.417557.8170.3000110.3P45 Q47 H61 T62 T65P45-I49 HydrophobicContact CB-CG2 4.25Å; P45-I49 HydrophobicContact CG-CD1 3.91Å; P45-I49 HydrophobicContact CG-CG1 4.24Å; Q47-I49 PolarHBondContact O-N 3.37Å; I49-H61 CarbonylContact O-C 3.56Å; I49-H61 WeakPolarHBondContact O-CA 3.37Å; I49-T62 HydrophobicContact CG1-CG2 3.88Å; I49-T62 WeakPolarHBondContact CG1-O 3.38Å; I49-T62 PolarHBondContact N-O 3.32Å; I49-T62 PolarHBondContact O-N 3.05Å; I49-T65 HydrophobicContact CD1-CG2 4.45Å
50P87.5Confident86Confident87 Ų8778.7 Ų78.757%0.56541%0.411SS*.EExtended strand (participates in β ladder)trans-57.7136.3169.3-23.334.8000111.6E60P50-E60 WeakPolarHBondContact CA-O 3.22Å
51G86Confident86.3Confident5 Ų579.8 Ų79.85%0.05240%0.404CS..  trans-96.718.1-17500000116.1D53 L54 Y59 E60G51-D53 VanDerWaalsContact C-N 3.27Å; G51-D53 PolarHBondContact O-N 3.4Å; G51-L54 WeakPolarHBondContact O-CB 3.24Å; G51-L54 PolarHBondContact O-N 2.73Å; G51-L54 VanDerWaalsContact O-N 3.16Å; G51-Y59 VanDerWaalsContact CA-O 3.3Å; G51-Y59 WeakPolarHBondContact CA-O 3.35Å; G51-E60 PolarHBondContact N-O 3.1Å
52E84.8Confident86.5Confident182 Ų18278.6 Ų78.685%0.8540%0.398SS*.THydrogen-bonded Turntrans-61.8-28.8-171.8-63.1-177.8-165.400114.2L54E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 3.03Å
53D84.2Confident87.3Confident127 Ų12775 Ų7568%0.67937%0.369SS*.THydrogen-bonded Turntrans-78.6-9.8179.4-64.8-51.7000114.2G51G51-D53 VanDerWaalsContact C-N 3.27Å; G51-D53 PolarHBondContact O-N 3.4Å
54L89.6Confident88Confident13 Ų1367.9 Ų67.97%0.06834%0.336CS..  trans-83.8142.3-174.2-60.1-172.4000112.6G51 E52 C57 T58 T62 C64 E69G51-L54 WeakPolarHBondContact O-CB 3.24Å; G51-L54 PolarHBondContact O-N 2.73Å; G51-L54 VanDerWaalsContact O-N 3.16Å; E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 3.03Å; L54-C57 HydrophobicContact CD1-CB 4.19Å; L54-T58 VanDerWaalsContact O-CG2 3.28Å; L54-T58 WeakPolarHBondContact O-CG2 3.47Å; L54-T62 HydrophobicContact CD1-CG2 3.8Å; L54-T62 WeakPolarHBondContact CD1-OG1 3.48Å; L54-C64 HydrophobicContact CD1-CB 4.16Å; L54-E69 HydrophobicContact CD2-CB 4.05Å
55R90.9Very high88.4Confident166 Ų16668.6 Ų68.663%0.62634%0.34SS*.SBendtrans-109-15.5-170.6-59.3176.7-178.21612.7113.8E69R55-E69 PolarHBondContact N-OE1 3.38Å; R55-E69 PolarHBondContact N-OE2 2.95Å
56V93.1Very high88.6Confident32 Ų3271.2 Ų71.219%0.19435%0.351CS..SBendtrans-126.8-45.8-177.8-170.60000110.9T58 E69 R243 T246 K247V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 PolarHBondContact O-N 2.87Å; V56-E69 WeakPolarHBondContact CA-OE1 3.41Å; V56-E69 HydrophobicContact CB-CG 4.45Å; V56-E69 WeakPolarHBondContact CB-OE1 3.49Å; V56-E69 PolarHBondContact N-OE1 2.88Å; V56-R243 HydrophobicContact CG1-CB 4.25Å; V56-R243 WeakPolarHBondContact CG1-O 3.42Å; V56-R243 HydrophobicContact CG2-CB 4.35Å; V56-R243 HydrophobicContact CG2-CG 3.84Å; V56-T246 HydrophobicContact CG1-CG2 4.4Å; V56-K247 HydrophobicContact CG1-CB 4.21Å
57C91Very high89Confident0 Ų068.6 Ų68.60%034%0.339CS..SBendtrans-93.355.4178.3-52.80000111.2L54 Y59 E69 C251 C254L54-C57 HydrophobicContact CD1-CB 4.19Å; C57-Y59 HydrophobicContact CB-CD2 4.27Å; C57-Y59 HydrophobicContact CB-CE2 3.89Å; C57-Y59 WeakPolarHBondContact O-CD2 3.44Å; C57-Y59 PolarHBondContact O-N 3.1Å; C57-E69 PolarHBondContact N-OE1 3.45Å; C57-C251 WeakPolarHBondContact CA-SG 3.25Å; C57-C251 HydrophobicContact CB-CB 3.9Å; C57-C251 WeakPolarHBondContact CB-SG 3.44Å; C57-C251 WeakPolarHBondContact SG-CA 3.44Å; C57-C251 WeakPolarHBondContact SG-CB 3.38Å; C57-C251 CovalentContact SG-SG 2.03Å; C57-C251 PolarHBondContact SG-SG 3.09Å; C57-C254 HydrophobicContact CB-CB 3.99Å; C57-C254 VanDerWaalsContact SG-SG 3.65Å
58T85.2Confident89.2Confident100 Ų10062.7 Ų62.761%0.61331%0.311SS*.  trans-7097-175.742.50000112.1L54 V56L54-T58 VanDerWaalsContact O-CG2 3.28Å; L54-T58 WeakPolarHBondContact O-CG2 3.47Å; V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 PolarHBondContact O-N 2.87Å
59Y84.3Confident89.5Confident31 Ų3161.2 Ų61.212%0.12230%0.304CS..  trans-133.1150.2178.8-53.6-50.4000110.4G51 C57 H61 C251 R255 W424 G426G51-Y59 VanDerWaalsContact CA-O 3.3Å; G51-Y59 WeakPolarHBondContact CA-O 3.35Å; C57-Y59 HydrophobicContact CB-CD2 4.27Å; C57-Y59 HydrophobicContact CB-CE2 3.89Å; C57-Y59 WeakPolarHBondContact O-CD2 3.44Å; C57-Y59 PolarHBondContact O-N 3.1Å; Y59-H61 WeakPolarHBondContact CB-O 3.34Å; Y59-H61 PolarHBondContact O-N 3.17Å; Y59-C251 HydrophobicContact CE2-CB 4.17Å; Y59-C251 WeakPolarHBondContact OH-CB 3.32Å; Y59-R255 HydrophobicContact CE2-CB 4.25Å; Y59-W424 VanDerWaalsContact OH-CH2 3.3Å; Y59-W424 WeakPolarHBondContact OH-CH2 3.33Å; Y59-W424 WeakPolarHBondContact OH-CZ2 3.29Å; Y59-G426 PolarHBondContact OH-O 2.03Å
60E84.6Confident89.7Confident176 Ų17661.5 Ų61.582%0.82231%0.306SS*.SBendtrans-58.7-37.9176.6-62.1173.2162.100111.9P50 G51P50-E60 WeakPolarHBondContact CA-O 3.22Å; G51-E60 PolarHBondContact N-O 3.1Å
61H88.6Confident90Very high96 Ų9661.4 Ų61.444%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-132.6139179.8-68.4-24000110.3E48 I49 Y59E48-H61 HydrophobicContact CB-CB 4.16Å; I49-H61 CarbonylContact O-C 3.56Å; I49-H61 WeakPolarHBondContact O-CA 3.37Å; Y59-H61 WeakPolarHBondContact CB-O 3.34Å; Y59-H61 PolarHBondContact O-N 3.17Å
62T92Very high90.4Very high0 Ų061.1 Ų61.10%029%0.292CS..EExtended strand (participates in β ladder)trans-149.3151.3-170.8-174.90000112.9E48 I49 L54 C64 C254E48-T62 WeakPolarHBondContact CA-O 3.29Å; I49-T62 HydrophobicContact CG1-CG2 3.88Å; I49-T62 WeakPolarHBondContact CG1-O 3.38Å; I49-T62 PolarHBondContact N-O 3.32Å; I49-T62 PolarHBondContact O-N 3.05Å; L54-T62 HydrophobicContact CD1-CG2 3.8Å; L54-T62 WeakPolarHBondContact CD1-OG1 3.48Å; T62-C64 WeakPolarHBondContact CG2-O 3.47Å; T62-C64 PolarHBondContact OG1-N 3.45Å; T62-C64 VanDerWaalsContact OG1-N 3.09Å; T62-C254 CarbonylContact C-O 3.51Å; T62-C254 WeakPolarHBondContact CA-O 3.27Å; T62-C254 PolarHBondContact OG1-O 3.44Å
63C92.6Very high90.9Very high1 Ų153.3 Ų53.31%0.00726%0.26CS..SBendtrans-957.6168.1-70.10000113.4C27 V30 P45 C254C27-C63 HydrophobicContact CB-CB 3.72Å; C27-C63 WeakPolarHBondContact CB-SG 3.39Å; C27-C63 VanDerWaalsContact SG-CA 3.5Å; C27-C63 WeakPolarHBondContact SG-CB 3.48Å; C27-C63 CovalentContact SG-SG 2.04Å; C27-C63 PolarHBondContact SG-SG 2.98Å; V30-C63 HydrophobicContact CB-CB 4.2Å; V30-C63 HydrophobicContact CG1-CB 4.14Å; V30-C63 HydrophobicContact CG2-CB 3.86Å; P45-C63 WeakPolarHBondContact CD-O 3.25Å; C63-C254 PolarHBondContact N-O 2.96Å
64C92.8Very high91.4Very high1 Ų153.5 Ų53.51%0.00726%0.257CS..  trans-111.6138.7-179.1-71.90000112.8L54 T62 M68 C254L54-C64 HydrophobicContact CD1-CB 4.16Å; T62-C64 WeakPolarHBondContact CG2-O 3.47Å; T62-C64 PolarHBondContact OG1-N 3.45Å; T62-C64 VanDerWaalsContact OG1-N 3.09Å; C64-M68 HydrophobicContact CB-CB 4.2Å; C64-C254 HydrophobicContact CB-CB 3.71Å; C64-C254 WeakPolarHBondContact CB-SG 3.28Å; C64-C254 WeakPolarHBondContact SG-CA 3.38Å; C64-C254 WeakPolarHBondContact SG-CB 3.41Å; C64-C254 CovalentContact SG-SG 2.04Å; C64-C254 PolarHBondContact SG-SG 3.42Å
65T92.1Very high91.7Very high39 Ų3955.8 Ų55.824%0.23927%0.268CS..  trans-86.7167.516166.30000110.6P45 I49 E67 M68 E69P45-T65 HydrophobicContact CG-CG2 4.18Å; I49-T65 HydrophobicContact CD1-CG2 4.45Å; T65-E67 PolarHBondContact O-N 3.05Å; T65-M68 WeakPolarHBondContact O-CB 3.3Å; T65-M68 PolarHBondContact O-N 2.76Å; T65-M68 WeakPolarHBondContact OG1-CG 3.41Å; T65-M68 PolarHBondContact OG1-N 2.83Å; T65-E69 PolarHBondContact O-N 3.37Å
66Q91.3Very high91.9Very high74 Ų7447.9 Ų47.935%0.34624%0.238SC..Hα-helixtrans-58.1-36.4173.3-160.9-151.1-53.600111.9M68 E69 D70Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 3.24Å; Q66-E69 PolarHBondContact O-N 2.66Å; Q66-D70 PolarHBondContact NE2-OD2 3.47Å; Q66-D70 WeakPolarHBondContact O-CB 3.32Å; Q66-D70 PolarHBondContact O-N 2.83Å
67E91.8Very high92.1Very high86 Ų8649 Ų4940%0.40224%0.24SC..Hα-helixtrans-62.1-38.3175.6-161-153.4149.200111.7T65 R71T65-E67 PolarHBondContact O-N 3.05Å; E67-R71 WeakPolarHBondContact O-CG 3.32Å; E67-R71 PolarHBondContact O-N 2.92Å; E67-R71 IonicContact OE1-CZ 3.94Å; E67-R71 VanDerWaalsContact OE1-CZ 3.24Å; E67-R71 IonicContact OE1-NE 3.19Å; E67-R71 PolarHBondContact OE1-NE 2.91Å; E67-R71 IonicContact OE1-NH2 2.75Å; E67-R71 PolarHBondContact OE1-NH2 3.41Å
68M92.6Very high92.3Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-65.8-45175-66.2172.565.100111.2F41 V44 C64 T65 Q66 R71 F72F41-M68 HydrophobicContact CD1-CG 3.72Å; F41-M68 HydrophobicContact CD2-CE 4.25Å; F41-M68 HydrophobicContact CD2-CG 4.03Å; F41-M68 HydrophobicContact CE1-CB 4.04Å; F41-M68 HydrophobicContact CE1-CG 3.67Å; F41-M68 HydrophobicContact CE2-CB 4.47Å; F41-M68 HydrophobicContact CE2-CE 4.14Å; F41-M68 HydrophobicContact CE2-CG 3.97Å; F41-M68 HydrophobicContact CG-CG 3.91Å; F41-M68 HydrophobicContact CZ-CB 3.99Å; F41-M68 HydrophobicContact CZ-CG 3.8Å; V44-M68 HydrophobicContact CG1-CE 4.05Å; V44-M68 HydrophobicContact CG1-SD 4.3Å; V44-M68 HydrophobicContact CG2-CE 4.33Å; V44-M68 HydrophobicContact CG2-SD 4.31Å; C64-M68 HydrophobicContact CB-CB 4.2Å; T65-M68 WeakPolarHBondContact O-CB 3.3Å; T65-M68 PolarHBondContact O-N 2.76Å; T65-M68 WeakPolarHBondContact OG1-CG 3.41Å; T65-M68 PolarHBondContact OG1-N 2.83Å; Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 3.24Å; M68-R71 PolarHBondContact O-N 2.7Å; M68-F72 HydrophobicContact CB-CD2 4.45Å; M68-F72 HydrophobicContact CB-CE2 4.11Å; M68-F72 HydrophobicContact CE-CE2 4.32Å; M68-F72 HydrophobicContact CE-CZ 4.35Å; M68-F72 WeakPolarHBondContact O-CB 3.12Å; M68-F72 WeakPolarHBondContact O-CD2 3.24Å; M68-F72 WeakPolarHBondContact O-CG 3.18Å; M68-F72 PolarHBondContact O-N 2.84Å
69E94.1Very high92.7Very high6 Ų650.4 Ų50.43%0.02824%0.243CC..Hα-helixtrans-62.6-45.4176.7-172.8-179.7-113.300112.4L54 R55 V56 C57 T65 Q66 R71 F72 G73L54-E69 HydrophobicContact CD2-CB 4.05Å; R55-E69 PolarHBondContact N-OE1 3.38Å; R55-E69 PolarHBondContact N-OE2 2.95Å; V56-E69 WeakPolarHBondContact CA-OE1 3.41Å; V56-E69 HydrophobicContact CB-CG 4.45Å; V56-E69 WeakPolarHBondContact CB-OE1 3.49Å; V56-E69 PolarHBondContact N-OE1 2.88Å; C57-E69 PolarHBondContact N-OE1 3.45Å; T65-E69 PolarHBondContact O-N 3.37Å; Q66-E69 PolarHBondContact O-N 2.66Å; E69-R71 PolarHBondContact O-N 3.3Å; E69-F72 PolarHBondContact O-N 3.3Å; E69-G73 PolarHBondContact O-N 3.25Å
70D93.6Very high93.2Very high69 Ų6949.1 Ų49.137%0.36924%0.238SC..Hα-helixtrans-63.7-39.2178.4-80.1-42.8000111.6Q66 G73 Q74Q66-D70 PolarHBondContact NE2-OD2 3.47Å; Q66-D70 WeakPolarHBondContact O-CB 3.32Å; Q66-D70 PolarHBondContact O-N 2.83Å; D70-G73 PolarHBondContact O-N 2.86Å; D70-Q74 WeakPolarHBondContact O-CG 3.44Å; D70-Q74 PolarHBondContact O-N 3.24Å
71R94.1Very high93.7Very high85 Ų8543.2 Ų43.232%0.32121%0.211SC..Hα-helixtrans-70.5-38173-68.4-155.5-151.81788.1112.8A40 F41 E67 M68 E69 G73 Q74 Q75A40-R71 PolarHBondContact O-NH1 3.42Å; A40-R71 PolarHBondContact O-NH2 3.02Å; A40-R71 VanDerWaalsContact O-NH2 3.14Å; F41-R71 HydrophobicContact CE1-CB 3.91Å; F41-R71 HydrophobicContact CE1-CG 4.06Å; F41-R71 HydrophobicContact CZ-CB 4.29Å; E67-R71 WeakPolarHBondContact O-CG 3.32Å; E67-R71 PolarHBondContact O-N 2.92Å; E67-R71 IonicContact OE1-CZ 3.94Å; E67-R71 VanDerWaalsContact OE1-CZ 3.24Å; E67-R71 IonicContact OE1-NE 3.19Å; E67-R71 PolarHBondContact OE1-NE 2.91Å; E67-R71 IonicContact OE1-NH2 2.75Å; E67-R71 PolarHBondContact OE1-NH2 3.41Å; M68-R71 PolarHBondContact O-N 2.7Å; E69-R71 PolarHBondContact O-N 3.3Å; R71-G73 VanDerWaalsContact C-N 3.26Å; R71-G73 PolarHBondContact O-N 3.32Å; R71-Q74 PolarHBondContact O-N 2.8Å; R71-Q74 VanDerWaalsContact O-N 3.13Å; R71-Q75 PolarHBondContact O-N 2.75Å
72F95.2Very high94Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-65-31.2173.3-68.7-34.3000112.1F39 F41 M68 E69 Q74 Q75 S76 T246 Y250 F253F39-F72 HydrophobicContact CD1-CD1 4.42Å; F39-F72 HydrophobicContact CD1-CE1 4.18Å; F39-F72 AromaticContact CD2-CE1 4Å; F39-F72 HydrophobicContact CD2-CE1 4Å; F39-F72 AromaticContact CE1-CD1 3.79Å; F39-F72 HydrophobicContact CE1-CD1 3.79Å; F39-F72 AromaticContact CE1-CE1 3.91Å; F39-F72 HydrophobicContact CE1-CE1 3.91Å; F39-F72 HydrophobicContact CE2-CD1 4.17Å; F39-F72 AromaticContact CE2-CE1 3.71Å; F39-F72 HydrophobicContact CE2-CE1 3.71Å; F39-F72 HydrophobicContact CG-CE1 4.22Å; F39-F72 AromaticContact CZ-CD1 3.63Å; F39-F72 HydrophobicContact CZ-CD1 3.63Å; F39-F72 AromaticContact CZ-CE1 3.66Å; F39-F72 HydrophobicContact CZ-CE1 3.66Å; F41-F72 HydrophobicContact CE2-CE1 4.04Å; F41-F72 AromaticContact CE2-CZ 3.96Å; F41-F72 HydrophobicContact CE2-CZ 3.96Å; F41-F72 HydrophobicContact CZ-CD1 4.46Å; F41-F72 AromaticContact CZ-CE1 3.93Å; F41-F72 HydrophobicContact CZ-CE1 3.93Å; F41-F72 HydrophobicContact CZ-CZ 4.06Å; M68-F72 HydrophobicContact CB-CD2 4.45Å; M68-F72 HydrophobicContact CB-CE2 4.11Å; M68-F72 HydrophobicContact CE-CE2 4.32Å; M68-F72 HydrophobicContact CE-CZ 4.35Å; M68-F72 WeakPolarHBondContact O-CB 3.12Å; M68-F72 WeakPolarHBondContact O-CD2 3.24Å; M68-F72 WeakPolarHBondContact O-CG 3.18Å; M68-F72 PolarHBondContact O-N 2.84Å; E69-F72 PolarHBondContact O-N 3.3Å; F72-Q74 VanDerWaalsContact C-N 3.35Å; F72-Q75 PolarHBondContact O-N 2.89Å; F72-S76 VanDerWaalsContact O-CB 3.26Å; F72-S76 WeakPolarHBondContact O-CB 3.49Å; F72-S76 PolarHBondContact O-N 2.91Å; F72-S76 PolarHBondContact O-OG 3.47Å; F72-T246 HydrophobicContact CB-CG2 4.18Å; F72-Y250 HydrophobicContact CB-CD1 4.18Å; F72-Y250 HydrophobicContact CB-CD2 4.33Å; F72-Y250 HydrophobicContact CB-CG 3.79Å; F72-Y250 AromaticContact CD1-CD1 3.32Å; F72-Y250 HydrophobicContact CD1-CD1 3.32Å; F72-Y250 AromaticContact CD1-CE1 3.84Å; F72-Y250 HydrophobicContact CD1-CE1 3.84Å; F72-Y250 AromaticContact CD1-CG 3.87Å; F72-Y250 HydrophobicContact CD1-CG 3.87Å; F72-Y250 HydrophobicContact CD2-CD1 4.44Å; F72-Y250 AromaticContact CE1-CD1 3.73Å; F72-Y250 HydrophobicContact CE1-CD1 3.73Å; F72-Y250 HydrophobicContact CE1-CE1 4.17Å; F72-Y250 AromaticContact CG-CD1 3.75Å; F72-Y250 HydrophobicContact CG-CD1 3.75Å; F72-Y250 AromaticContact CG-CG 3.84Å; F72-Y250 HydrophobicContact CG-CG 3.84Å; F72-Y250 HydrophobicContact CZ-CD1 4.43Å; F72-F253 HydrophobicContact CE2-CB 4.27Å; F72-F253 HydrophobicContact CZ-CB 4.29Å; F72-F253 HydrophobicContact CZ-CG 4.49Å
73G95.6Very high94.1Very high17 Ų1743.9 Ų43.918%0.17522%0.217CC..Hα-helixtrans-65.1-33.7169.300000114.1E69 D70 R71 S76 I242 T246E69-G73 PolarHBondContact O-N 3.25Å; D70-G73 PolarHBondContact O-N 2.86Å; R71-G73 VanDerWaalsContact C-N 3.26Å; R71-G73 PolarHBondContact O-N 3.32Å; G73-S76 PolarHBondContact O-OG 3.38Å; G73-I242 VanDerWaalsContact O-CG2 3.3Å; G73-I242 WeakPolarHBondContact O-CG2 3.21Å; G73-T246 WeakPolarHBondContact CA-OG1 3.39Å
74Q95Very high94.2Very high131 Ų13144 Ų4461%0.61222%0.218SC*.Hα-helixtrans-74.2-43.1173.2-66.5172.727.700111.3D70 R71 F72 K77 L78D70-Q74 WeakPolarHBondContact O-CG 3.44Å; D70-Q74 PolarHBondContact O-N 3.24Å; R71-Q74 PolarHBondContact O-N 2.8Å; R71-Q74 VanDerWaalsContact O-N 3.13Å; F72-Q74 VanDerWaalsContact C-N 3.35Å; Q74-K77 WeakPolarHBondContact O-CB 3.28Å; Q74-K77 PolarHBondContact O-N 3Å; Q74-L78 WeakPolarHBondContact O-CG 3.48Å; Q74-L78 PolarHBondContact O-N 2.88Å
75Q95.5Very high94.3Very high62 Ų6246.7 Ų46.729%0.2923%0.232SC..Hα-helixtrans-69.9-40.5-179.9-167.861.738.900112.5F39 R71 F72 K77 L78 D79 Y250F39-Q75 HydrophobicContact CE1-CB 3.9Å; F39-Q75 HydrophobicContact CE1-CG 4.09Å; F39-Q75 HydrophobicContact CZ-CB 3.94Å; F39-Q75 HydrophobicContact CZ-CG 3.79Å; R71-Q75 PolarHBondContact O-N 2.75Å; F72-Q75 PolarHBondContact O-N 2.89Å; Q75-K77 PolarHBondContact O-N 3.43Å; Q75-L78 PolarHBondContact O-N 2.85Å; Q75-D79 PolarHBondContact NE2-OD1 3.41Å; Q75-D79 WeakPolarHBondContact O-CB 3.47Å; Q75-D79 PolarHBondContact O-N 3Å; Q75-Y250 HydrophobicContact CB-CE2 4.46Å; Q75-Y250 HydrophobicContact CG-CE2 4.46Å; Q75-Y250 WeakPolarHBondContact CG-OH 3.45Å
76S95.7Very high94.4Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-60.5-33.6177.873.50000112.7F72 G73 F80 T246F72-S76 VanDerWaalsContact O-CB 3.26Å; F72-S76 WeakPolarHBondContact O-CB 3.49Å; F72-S76 PolarHBondContact O-N 2.91Å; F72-S76 PolarHBondContact O-OG 3.47Å; G73-S76 PolarHBondContact O-OG 3.38Å; S76-F80 WeakPolarHBondContact O-CB 3.43Å; S76-F80 PolarHBondContact O-N 3.02Å; S76-T246 PolarHBondContact OG-OG1 3.19Å
77K95.8Very high94.5Very high56 Ų5647.5 Ų47.524%0.24324%0.235CC..Hα-helixtrans-63.9-50.8169.9-170-162-178-105.50111.4Q74 Q75 F80 E81 I242Q74-K77 WeakPolarHBondContact O-CB 3.28Å; Q74-K77 PolarHBondContact O-N 3Å; Q75-K77 PolarHBondContact O-N 3.43Å; K77-F80 PolarHBondContact O-N 3.1Å; K77-E81 WeakPolarHBondContact CE-OE1 3.25Å; K77-E81 IonicContact NZ-OE1 3.17Å; K77-E81 PolarHBondContact NZ-OE1 3.46Å; K77-E81 IonicContact NZ-OE2 3.57Å; K77-E81 PolarHBondContact NZ-OE2 3.04Å; K77-E81 WeakPolarHBondContact O-CB 3.34Å; K77-E81 WeakPolarHBondContact O-CG 3.29Å; K77-E81 PolarHBondContact O-N 3.21Å; K77-I242 HydrophobicContact CB-CD1 4.32Å; K77-I242 HydrophobicContact CB-CG1 4.24Å; K77-I242 HydrophobicContact CD-CD1 4.04Å; K77-I242 HydrophobicContact CG-CD1 4Å; K77-I242 HydrophobicContact CG-CG1 4.19Å
78L95Very high94.7Very high81 Ų8143.4 Ų43.442%0.42422%0.216SC..Hα-helixtrans-63.9-41.6-178.7-68.3173000112.1Q74 Q75 F80 E81 N82Q74-L78 WeakPolarHBondContact O-CG 3.48Å; Q74-L78 PolarHBondContact O-N 2.88Å; Q75-L78 PolarHBondContact O-N 2.85Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-F80 PolarHBondContact O-N 3.29Å; L78-E81 PolarHBondContact O-N 3.35Å; L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.35Å; L78-N82 PolarHBondContact O-N 3.02Å; L78-N82 PolarHBondContact O-ND2 3.4Å
79D94.1Very high94.8Very high47 Ų4748.2 Ų48.225%0.25124%0.239SC..Hα-helixtrans-59.7-43.3176.5-65.1-21.3000111.1Q75 L83 Y250Q75-D79 PolarHBondContact NE2-OD1 3.41Å; Q75-D79 WeakPolarHBondContact O-CB 3.47Å; Q75-D79 PolarHBondContact O-N 3Å; D79-L83 VanDerWaalsContact O-CB 3.24Å; D79-L83 WeakPolarHBondContact O-CB 3.04Å; D79-L83 PolarHBondContact O-N 3.36Å; D79-Y250 WeakPolarHBondContact OD2-CE2 3.3Å; D79-Y250 PolarHBondContact OD2-OH 2.76Å
80F95.6Very high94.8Very high5 Ų552.7 Ų52.72%0.02227%0.266CS..Hα-helixtrans-68.5-43.6176.1173.1-95.5000112.8S76 K77 L78 L83 L84 S237 L245 M271 C274 L275 M407S76-F80 WeakPolarHBondContact O-CB 3.43Å; S76-F80 PolarHBondContact O-N 3.02Å; K77-F80 PolarHBondContact O-N 3.1Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-F80 PolarHBondContact O-N 3.29Å; F80-L83 PolarHBondContact O-N 2.84Å; F80-L84 HydrophobicContact CE1-CD2 4.49Å; F80-L84 WeakPolarHBondContact O-CB 3.38Å; F80-L84 PolarHBondContact O-N 3.47Å; F80-S237 VanDerWaalsContact CD1-OG 3.28Å; F80-S237 WeakPolarHBondContact CD1-OG 3.15Å; F80-S237 WeakPolarHBondContact CE1-OG 3.39Å; F80-L245 HydrophobicContact CB-CD1 3.58Å; F80-L245 HydrophobicContact CB-CD2 4.22Å; F80-L245 HydrophobicContact CD1-CD1 4.15Å; F80-L245 HydrophobicContact CD2-CD1 3.95Å; F80-L245 HydrophobicContact CD2-CD2 3.86Å; F80-L245 HydrophobicContact CG-CD1 3.63Å; F80-L245 HydrophobicContact CG-CD2 4.28Å; F80-M271 HydrophobicContact CD2-CE 4.29Å; F80-M271 HydrophobicContact CD2-SD 3.73Å; F80-M271 HydrophobicContact CE2-SD 3.66Å; F80-C274 HydrophobicContact CE2-CB 3.99Å; F80-C274 HydrophobicContact CZ-CB 3.91Å; F80-L275 HydrophobicContact CE2-CD2 4.46Å; F80-L275 HydrophobicContact CE2-CG 4.4Å; F80-L275 HydrophobicContact CZ-CD2 3.81Å; F80-L275 HydrophobicContact CZ-CG 4.13Å; F80-M407 HydrophobicContact CD2-CE 3.68Å; F80-M407 HydrophobicContact CE2-CE 3.67Å; F80-M407 HydrophobicContact CZ-CE 4.49Å
81E95.3Very high94.9Very high52 Ų5249.8 Ų49.824%0.24325%0.251CS..Hα-helixtrans-64.7-39177.9-73.2177.9163.600111.7K77 L78 D85K77-E81 WeakPolarHBondContact CE-OE1 3.25Å; K77-E81 IonicContact NZ-OE1 3.17Å; K77-E81 PolarHBondContact NZ-OE1 3.46Å; K77-E81 IonicContact NZ-OE2 3.57Å; K77-E81 PolarHBondContact NZ-OE2 3.04Å; K77-E81 WeakPolarHBondContact O-CB 3.34Å; K77-E81 WeakPolarHBondContact O-CG 3.29Å; K77-E81 PolarHBondContact O-N 3.21Å; L78-E81 PolarHBondContact O-N 3.35Å; E81-D85 PolarHBondContact O-N 3.27Å
82N94.1Very high94.9Very high94 Ų9447.2 Ų47.250%0.50324%0.241SC..Hα-helixtrans-65.3-47.3172.6-72.4-33.4000112.1L78 L84 D85 E86L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.35Å; L78-N82 PolarHBondContact O-N 3.02Å; L78-N82 PolarHBondContact O-ND2 3.4Å; N82-L84 VanDerWaalsContact C-N 3.29Å; N82-L84 PolarHBondContact O-N 3.41Å; N82-D85 PolarHBondContact O-N 2.89Å; N82-D85 VanDerWaalsContact O-N 3.15Å; N82-E86 PolarHBondContact O-N 3.04Å
83L94.2Very high94.9Very high15 Ų1549.4 Ų49.48%0.07926%0.257CS..Hα-helixtrans-63.2-35.6179.5-175.861.3000111.8D79 F80 T87 M271 M407 V413D79-L83 VanDerWaalsContact O-CB 3.24Å; D79-L83 WeakPolarHBondContact O-CB 3.04Å; D79-L83 PolarHBondContact O-N 3.36Å; F80-L83 PolarHBondContact O-N 2.84Å; L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.32Å; L83-T87 PolarHBondContact O-N 3.3Å; L83-T87 PolarHBondContact O-OG1 3.41Å; L83-M271 HydrophobicContact CD2-CE 4.17Å; L83-M407 HydrophobicContact CB-CE 4.03Å; L83-M407 HydrophobicContact CD2-CB 3.87Å; L83-M407 HydrophobicContact CD2-CE 3.93Å; L83-M407 HydrophobicContact CD2-CG 4.3Å; L83-M407 HydrophobicContact CG-CB 4.16Å; L83-M407 HydrophobicContact CG-CE 3.81Å; L83-M407 HydrophobicContact CG-CG 4.06Å; L83-V413 HydrophobicContact CD2-CG2 4.14Å
84L94.6Very high94.8Very high5 Ų549.7 Ų49.73%0.02626%0.255CS..Hα-helixtrans-69.7-39172.6-176.261.3000112.3F80 N82 S88 L275 L403 M407F80-L84 HydrophobicContact CE1-CD2 4.49Å; F80-L84 WeakPolarHBondContact O-CB 3.38Å; F80-L84 PolarHBondContact O-N 3.47Å; N82-L84 VanDerWaalsContact C-N 3.29Å; N82-L84 PolarHBondContact O-N 3.41Å; L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 2.88Å; L84-S88 PolarHBondContact O-OG 2.85Å; L84-L275 HydrophobicContact CD1-CD2 4.35Å; L84-L275 HydrophobicContact CD2-CD2 4.47Å; L84-L403 HydrophobicContact CD1-CD1 3.99Å; L84-L403 HydrophobicContact CD1-CD2 4.18Å; L84-M407 HydrophobicContact CB-CE 4.09Å; L84-M407 HydrophobicContact CD1-SD 4.22Å
85D94.4Very high94.8Very high57 Ų5743.5 Ų43.531%0.30523%0.226SC..Hα-helixtrans-63.4-47175-156.890.6000111.4E81 N82 S88 H89 R92E81-D85 PolarHBondContact O-N 3.27Å; N82-D85 PolarHBondContact O-N 2.89Å; N82-D85 VanDerWaalsContact O-N 3.15Å; D85-S88 PolarHBondContact O-N 2.98Å; D85-S88 PolarHBondContact O-OG 3.39Å; D85-H89 WeakPolarHBondContact O-CA 3.4Å; D85-H89 WeakPolarHBondContact O-CB 3.47Å; D85-H89 PolarHBondContact O-N 3.05Å; D85-R92 IonicContact OD1-CZ 2.73Å; D85-R92 VanDerWaalsContact OD1-CZ 3.22Å; D85-R92 IonicContact OD1-NH1 2.95Å; D85-R92 PolarHBondContact OD1-NH1 3.13Å; D85-R92 IonicContact OD1-NH2 2.62Å; D85-R92 PolarHBondContact OD1-NH2 2.63Å; D85-R92 IonicContact OD2-CZ 3.14Å; D85-R92 IonicContact OD2-NH1 3.7Å; D85-R92 IonicContact OD2-NH2 2.91Å; D85-R92 PolarHBondContact OD2-NH2 3.32Å
86E94.3Very high94.8Very high97 Ų9743.4 Ų43.445%0.45323%0.23SC..Hα-helixtrans-57.6-52.3173.8-75.1-177.1-147.900112.2N82 S88 H89 R412N82-E86 PolarHBondContact O-N 3.04Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.44Å; E86-H89 VanDerWaalsContact O-CB 3.24Å; E86-H89 WeakPolarHBondContact O-CB 3.46Å; E86-H89 PolarHBondContact O-N 2.6Å; E86-H89 VanDerWaalsContact O-N 3.11Å; E86-R412 IonicContact OE1-CZ 2.79Å; E86-R412 IonicContact OE1-NH2 2.99Å; E86-R412 PolarHBondContact OE1-NH2 3.24Å; E86-R412 IonicContact OE2-CZ 3.15Å; E86-R412 IonicContact OE2-NH1 3.19Å; E86-R412 PolarHBondContact OE2-NH1 3.38Å; E86-R412 IonicContact OE2-NH2 2.82Å; E86-R412 PolarHBondContact OE2-NH2 3.46Å
87T94.4Very high94.7Very high32 Ų3246 Ų4620%0.19625%0.248CC..Hα-helixtrans-67.3-32.3-174.9-54.40000111.2L83 L403 A406 M407L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.32Å; L83-T87 PolarHBondContact O-N 3.3Å; L83-T87 PolarHBondContact O-OG1 3.41Å; T87-L403 HydrophobicContact CG2-CD2 3.66Å; T87-A406 HydrophobicContact CG2-CB 3.75Å; T87-M407 HydrophobicContact CG2-CG 4.3Å
88S95.4Very high94.5Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-84.6-11.3174.567.70000114.5L84 D85 E86 T90 L91 R92 S233L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 2.88Å; L84-S88 PolarHBondContact O-OG 2.85Å; D85-S88 PolarHBondContact O-N 2.98Å; D85-S88 PolarHBondContact O-OG 3.39Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.44Å; S88-T90 PolarHBondContact O-N 3.47Å; S88-L91 PolarHBondContact O-N 3.1Å; S88-R92 WeakPolarHBondContact O-CD 3.49Å; S88-R92 PolarHBondContact O-N 3.19Å; S88-R92 WeakPolarHBondContact OG-CD 3.31Å; S88-R92 PolarHBondContact OG-NH1 3Å; S88-R92 VanDerWaalsContact OG-NH1 3.09Å; S88-S233 VanDerWaalsContact CB-OG 3.27Å; S88-S233 WeakPolarHBondContact CB-OG 3.48Å; S88-S233 WeakPolarHBondContact OG-CB 3.34Å
89H94.9Very high94.4Very high102 Ų10243 Ų4347%0.47223%0.23SC..Hα-helixtrans-56.5-48.1-174.2177-93.4000112.3D85 E86 L91 R92 S93D85-H89 WeakPolarHBondContact O-CA 3.4Å; D85-H89 WeakPolarHBondContact O-CB 3.47Å; D85-H89 PolarHBondContact O-N 3.05Å; E86-H89 VanDerWaalsContact O-CB 3.24Å; E86-H89 WeakPolarHBondContact O-CB 3.46Å; E86-H89 PolarHBondContact O-N 2.6Å; E86-H89 VanDerWaalsContact O-N 3.11Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 2.95Å; H89-R92 PolarHBondContact O-N 3.38Å; H89-S93 VanDerWaalsContact O-CB 3.3Å; H89-S93 WeakPolarHBondContact O-CB 3.34Å; H89-S93 PolarHBondContact O-N 3.06Å; H89-S93 PolarHBondContact O-OG 3.38Å
90T94.1Very high94.3Very high99 Ų9946.4 Ų46.461%0.60724%0.242SC*.Hα-helixtrans-63-37.7-179-57.70000112.1S88 S93 T94S88-T90 PolarHBondContact O-N 3.47Å; T90-S93 WeakPolarHBondContact CA-OG 3.37Å; T90-S93 PolarHBondContact O-OG 2.79Å; T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.17Å; T90-T94 PolarHBondContact O-N 3.16Å; T90-T94 VanDerWaalsContact O-N 3.12Å; T90-T94 PolarHBondContact O-OG1 3.42Å
91L94.9Very high94.1Very high8 Ų849.8 Ų49.84%0.04226%0.255CS..Hα-helixtrans-66.2-53.3175.9-174.872.7000111S88 H89 T94 F95 A229 W285 S396 F399 W400S88-L91 PolarHBondContact O-N 3.1Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 2.95Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.85Å; L91-F95 HydrophobicContact CD1-CD2 4.1Å; L91-F95 HydrophobicContact CD1-CE2 3.89Å; L91-F95 HydrophobicContact CG-CD2 4.28Å; L91-F95 HydrophobicContact CG-CE2 4.47Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 2.72Å; L91-A229 HydrophobicContact CD2-CB 3.83Å; L91-A229 HydrophobicContact CG-CB 4.11Å; L91-W285 HydrophobicContact CD1-CZ2 4.06Å; L91-W285 HydrophobicContact CD2-CZ2 4.22Å; L91-S396 WeakPolarHBondContact CD1-OG 3.13Å; L91-F399 HydrophobicContact CB-CD2 4.43Å; L91-F399 HydrophobicContact CB-CE2 4.14Å; L91-F399 HydrophobicContact CB-CZ 4.34Å; L91-F399 HydrophobicContact CD2-CD1 3.57Å; L91-F399 HydrophobicContact CD2-CD2 4.19Å; L91-F399 HydrophobicContact CD2-CE1 3.66Å; L91-F399 HydrophobicContact CD2-CE2 4.27Å; L91-F399 HydrophobicContact CD2-CG 3.85Å; L91-F399 HydrophobicContact CD2-CZ 4.03Å; L91-W400 HydrophobicContact CD2-CZ2 4.3Å
92R95.4Very high93.9Very high31 Ų3147.4 Ų47.412%0.11724%0.244CC..Hα-helixtrans-58.6-50.9-179.2-78.4150.839.3167.9-5.9112.1D85 S88 H89 T94 F95 V96 A229 Q230D85-R92 IonicContact OD1-CZ 2.73Å; D85-R92 VanDerWaalsContact OD1-CZ 3.22Å; D85-R92 IonicContact OD1-NH1 2.95Å; D85-R92 PolarHBondContact OD1-NH1 3.13Å; D85-R92 IonicContact OD1-NH2 2.62Å; D85-R92 PolarHBondContact OD1-NH2 2.63Å; D85-R92 IonicContact OD2-CZ 3.14Å; D85-R92 IonicContact OD2-NH1 3.7Å; D85-R92 IonicContact OD2-NH2 2.91Å; D85-R92 PolarHBondContact OD2-NH2 3.32Å; S88-R92 WeakPolarHBondContact O-CD 3.49Å; S88-R92 PolarHBondContact O-N 3.19Å; S88-R92 WeakPolarHBondContact OG-CD 3.31Å; S88-R92 PolarHBondContact OG-NH1 3Å; S88-R92 VanDerWaalsContact OG-NH1 3.09Å; H89-R92 PolarHBondContact O-N 3.38Å; R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 3.28Å; R92-F95 PolarHBondContact O-N 2.94Å; R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.21Å; R92-V96 PolarHBondContact O-N 3.07Å; R92-A229 HydrophobicContact CG-CB 4.28Å; R92-A229 WeakPolarHBondContact CG-O 3.49Å; R92-Q230 HydrophobicContact CG-CG 4.28Å
93S95.1Very high93.8Very high47 Ų4745.2 Ų45.233%0.32923%0.232SC..Hα-helixtrans-64.1-37.8-179.455.50000112.2H89 T90 S97H89-S93 VanDerWaalsContact O-CB 3.3Å; H89-S93 WeakPolarHBondContact O-CB 3.34Å; H89-S93 PolarHBondContact O-N 3.06Å; H89-S93 PolarHBondContact O-OG 3.38Å; T90-S93 WeakPolarHBondContact CA-OG 3.37Å; T90-S93 PolarHBondContact O-OG 2.79Å; S93-S97 WeakPolarHBondContact O-CB 3.36Å; S93-S97 PolarHBondContact O-N 3.23Å
94T93.8Very high93.6Very high22 Ų2247.7 Ų47.714%0.13524%0.243CC..Hα-helixtrans-57.2-56.8170.9-66.30000111T90 L91 R92 V96 S97 R98 K392T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.17Å; T90-T94 PolarHBondContact O-N 3.16Å; T90-T94 VanDerWaalsContact O-N 3.12Å; T90-T94 PolarHBondContact O-OG1 3.42Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.85Å; R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 3.28Å; T94-V96 PolarHBondContact O-N 2.97Å; T94-S97 PolarHBondContact O-N 3.38Å; T94-R98 HydrophobicContact CG2-CG 4.32Å; T94-R98 WeakPolarHBondContact O-CB 3.38Å; T94-R98 WeakPolarHBondContact O-CG 3.26Å; T94-R98 PolarHBondContact O-N 2.95Å; T94-K392 HydrophobicContact CG2-CB 3.59Å; T94-K392 HydrophobicContact CG2-CG 4.1Å
95F94.8Very high93.4Very high2 Ų248 Ų481%0.00925%0.245CC..Hα-helixtrans-63.4-39.6-177.3-89.9-83.4000113L91 R92 H99 L222 R226 W285 Y288 I289 L393L91-F95 HydrophobicContact CD1-CD2 4.1Å; L91-F95 HydrophobicContact CD1-CE2 3.89Å; L91-F95 HydrophobicContact CG-CD2 4.28Å; L91-F95 HydrophobicContact CG-CE2 4.47Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 2.72Å; R92-F95 PolarHBondContact O-N 2.94Å; F95-H99 WeakPolarHBondContact O-CB 3.27Å; F95-H99 PolarHBondContact O-N 3.04Å; F95-L222 HydrophobicContact CE1-CD2 4.28Å; F95-R226 HydrophobicContact CB-CB 3.96Å; F95-W285 HydrophobicContact CD2-CH2 4.45Å; F95-W285 AromaticContact CE2-CH2 3.68Å; F95-W285 HydrophobicContact CE2-CH2 3.68Å; F95-W285 AromaticContact CE2-CZ2 3.82Å; F95-W285 HydrophobicContact CE2-CZ2 3.82Å; F95-W285 AromaticContact CZ-CH2 3.77Å; F95-W285 HydrophobicContact CZ-CH2 3.77Å; F95-W285 HydrophobicContact CZ-CZ2 4.09Å; F95-Y288 HydrophobicContact CE1-CE1 4.4Å; F95-Y288 WeakPolarHBondContact CE1-OH 3.47Å; F95-Y288 HydrophobicContact CZ-CE1 4.26Å; F95-I289 HydrophobicContact CE2-CD1 4.38Å; F95-I289 HydrophobicContact CZ-CD1 3.78Å; F95-L393 HydrophobicContact CE1-CD2 3.88Å; F95-L393 HydrophobicContact CE2-CD2 3.97Å; F95-L393 HydrophobicContact CZ-CD2 3.33Å
96V95.4Very high93.1Very high60 Ų6045.4 Ų45.436%0.36423%0.231SC..Hα-helixtrans-60.5-51.9173.9170.80000111R92 T94 R98 K100 R226 Q230R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.21Å; R92-V96 PolarHBondContact O-N 3.07Å; T94-V96 PolarHBondContact O-N 2.97Å; V96-R98 PolarHBondContact O-N 3.05Å; V96-K100 WeakPolarHBondContact O-CB 3.41Å; V96-K100 PolarHBondContact O-N 2.86Å; V96-K100 VanDerWaalsContact O-N 3.1Å; V96-R226 HydrophobicContact CG2-CG 3.79Å; V96-Q230 VanDerWaalsContact CG2-NE2 3.27Å
97S94.1Very high93Very high54 Ų5443.3 Ų43.338%0.37822%0.222SC..Hα-helixtrans-62.7-43.8-178.2170.70000112.1S93 T94 R101S93-S97 WeakPolarHBondContact O-CB 3.36Å; S93-S97 PolarHBondContact O-N 3.23Å; T94-S97 PolarHBondContact O-N 3.38Å; S97-R101 PolarHBondContact O-N 2.89Å
98R90.1Very high92.7Very high53 Ų5345.6 Ų45.620%0.223%0.23CC..Hα-helixtrans-77.2-40.2-175.8-62-49.8-175.5-100.17.4113.1T94 V96 K100 R101 F102 D388 I389T94-R98 HydrophobicContact CG2-CG 4.32Å; T94-R98 WeakPolarHBondContact O-CB 3.38Å; T94-R98 WeakPolarHBondContact O-CG 3.26Å; T94-R98 PolarHBondContact O-N 2.95Å; V96-R98 PolarHBondContact O-N 3.05Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3.48Å; R98-R101 PolarHBondContact O-N 2.8Å; R98-F102 VanDerWaalsContact O-CD2 3.32Å; R98-F102 WeakPolarHBondContact O-CD2 3.46Å; R98-F102 PolarHBondContact O-N 2.91Å; R98-F102 VanDerWaalsContact O-N 3.14Å; R98-D388 IonicContact CZ-OD2 2.69Å; R98-D388 IonicContact NE-OD2 3.24Å; R98-D388 PolarHBondContact NE-OD2 3.4Å; R98-D388 IonicContact NH2-OD1 3.21Å; R98-D388 PolarHBondContact NH2-OD1 2.94Å; R98-D388 IonicContact NH2-OD2 2.66Å; R98-D388 PolarHBondContact NH2-OD2 2.86Å; R98-I389 HydrophobicContact CB-CD1 3.77Å; R98-I389 HydrophobicContact CB-CG1 4.23Å; R98-I389 HydrophobicContact CG-CB 4.34Å; R98-I389 HydrophobicContact CG-CD1 4.3Å; R98-I389 HydrophobicContact CG-CG1 4.21Å
99H93Very high92.3Very high22 Ų2246.3 Ų46.310%0.10223%0.234CC..Hα-helixtrans-50.5-56.5167172.2-69000109.8F95 R101 F102 D103 L222 R226F95-H99 WeakPolarHBondContact O-CB 3.27Å; F95-H99 PolarHBondContact O-N 3.04Å; H99-R101 PolarHBondContact O-N 3.15Å; H99-F102 PolarHBondContact O-N 3.27Å; H99-D103 IonicContact CE1-OD2 3.06Å; H99-D103 VanDerWaalsContact O-CB 3.29Å; H99-D103 WeakPolarHBondContact O-CB 3.31Å; H99-D103 PolarHBondContact O-N 3.31Å; H99-L222 HydrophobicContact CB-CB 4.14Å; H99-R226 PolarHBondContact CD2-NH1 3.1Å; H99-R226 VanDerWaalsContact CD2-NH1 3.28Å; H99-R226 PolarHBondContact CE1-NH1 3.02Å; H99-R226 VanDerWaalsContact CE1-NH1 3.27Å; H99-R226 PolarHBondContact ND1-NH1 2.8Å; H99-R226 PolarHBondContact NE2-NH1 2.69Å; H99-R226 VanDerWaalsContact NE2-NH1 3.12Å
100K93.3Very high92Very high117 Ų11741.6 Ų41.651%0.50921%0.212SC..Hα-helixtrans-57.1-47.6-176.3177.8173.2170.1175.90111.8V96 R98 F102 D103 E104V96-K100 WeakPolarHBondContact O-CB 3.41Å; V96-K100 PolarHBondContact O-N 2.86Å; V96-K100 VanDerWaalsContact O-N 3.1Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3.48Å; K100-F102 PolarHBondContact O-N 3.2Å; K100-D103 PolarHBondContact O-N 3.37Å; K100-E104 WeakPolarHBondContact CE-OE1 3.32Å; K100-E104 WeakPolarHBondContact CE-OE2 2.91Å; K100-E104 HydrophobicContact CG-CG 4.28Å; K100-E104 IonicContact NZ-OE1 2.74Å; K100-E104 PolarHBondContact NZ-OE1 3.03Å; K100-E104 VanDerWaalsContact NZ-OE1 3.11Å; K100-E104 WeakPolarHBondContact O-CB 3.38Å; K100-E104 WeakPolarHBondContact O-CG 3.48Å; K100-E104 PolarHBondContact O-N 3.29Å
101R91.4Very high91.8Very high77 Ų7741.6 Ų41.629%0.29121%0.206SC..Hα-helixtrans-69.9-31.5-175.3-173.959.1-164.8147.69.1113.9S97 R98 H99 F105 E108 L385S97-R101 PolarHBondContact O-N 2.89Å; R98-R101 PolarHBondContact O-N 2.8Å; H99-R101 PolarHBondContact O-N 3.15Å; R101-F105 VanDerWaalsContact O-CB 3.27Å; R101-F105 WeakPolarHBondContact O-CB 3.48Å; R101-F105 PolarHBondContact O-N 2.83Å; R101-F105 VanDerWaalsContact O-N 3.1Å; R101-E108 IonicContact CZ-OE2 2.7Å; R101-E108 IonicContact NH1-OE1 2.9Å; R101-E108 PolarHBondContact NH1-OE1 3.01Å; R101-E108 IonicContact NH1-OE2 3.82Å; R101-E108 PolarHBondContact NH1-OE2 2.86Å; R101-E108 IonicContact NH2-OE2 3.58Å; R101-E108 PolarHBondContact NH2-OE2 2.99Å; R101-L385 HydrophobicContact CG-CD1 4.3Å; R101-L385 HydrophobicContact CG-CD2 3.61Å
102F89.9Confident91.4Very high1 Ų145 Ų450%0.00422%0.224CC..Hα-helixtrans-72.5-38.6171.6-83.3-72.9000112.3R98 H99 K100 F105 F106 F218 V219 L222 L382 L385 V386 I389R98-F102 VanDerWaalsContact O-CD2 3.32Å; R98-F102 WeakPolarHBondContact O-CD2 3.46Å; R98-F102 PolarHBondContact O-N 2.91Å; R98-F102 VanDerWaalsContact O-N 3.14Å; H99-F102 PolarHBondContact O-N 3.27Å; K100-F102 PolarHBondContact O-N 3.2Å; F102-F105 PolarHBondContact O-N 3.48Å; F102-F106 HydrophobicContact CB-CE2 4.15Å; F102-F106 HydrophobicContact CD1-CE2 4.09Å; F102-F106 HydrophobicContact CD1-CZ 4.23Å; F102-F106 WeakPolarHBondContact O-CD2 3.37Å; F102-F106 PolarHBondContact O-N 2.92Å; F102-F218 HydrophobicContact CB-CE1 4.41Å; F102-F218 AromaticContact CD1-CE1 3.66Å; F102-F218 HydrophobicContact CD1-CE1 3.66Å; F102-F218 HydrophobicContact CD1-CZ 4.47Å; F102-F218 AromaticContact CD2-CE1 3.9Å; F102-F218 HydrophobicContact CD2-CE1 3.9Å; F102-F218 AromaticContact CD2-CZ 3.99Å; F102-F218 HydrophobicContact CD2-CZ 3.99Å; F102-F218 AromaticContact CE1-CE1 3.75Å; F102-F218 HydrophobicContact CE1-CE1 3.75Å; F102-F218 HydrophobicContact CE1-CZ 4.33Å; F102-F218 HydrophobicContact CE2-CE1 4.02Å; F102-F218 AromaticContact CE2-CZ 3.88Å; F102-F218 HydrophobicContact CE2-CZ 3.88Å; F102-F218 AromaticContact CG-CE1 3.73Å; F102-F218 HydrophobicContact CG-CE1 3.73Å; F102-F218 HydrophobicContact CG-CZ 4.3Å; F102-F218 AromaticContact CZ-CE1 3.93Å; F102-F218 HydrophobicContact CZ-CE1 3.93Å; F102-F218 HydrophobicContact CZ-CZ 4.04Å; F102-V219 HydrophobicContact CB-CG2 4.18Å; F102-L222 HydrophobicContact CD2-CD1 3.82Å; F102-L222 HydrophobicContact CE2-CD1 4.49Å; F102-L382 HydrophobicContact CD1-CD1 4.29Å; F102-L382 HydrophobicContact CE1-CD1 3.76Å; F102-L385 HydrophobicContact CD1-CD1 4.48Å; F102-L385 HydrophobicContact CE1-CB 3.76Å; F102-L385 HydrophobicContact CE1-CD1 4.36Å; F102-L385 HydrophobicContact CE2-CB 4.26Å; F102-L385 HydrophobicContact CZ-CB 3.56Å; F102-V386 HydrophobicContact CE1-CG2 3.98Å; F102-V386 HydrophobicContact CZ-CG2 3.95Å; F102-I389 HydrophobicContact CD2-CD1 4.39Å; F102-I389 HydrophobicContact CE2-CB 4.1Å; F102-I389 HydrophobicContact CE2-CD1 3.92Å; F102-I389 HydrophobicContact CE2-CG2 3.51Å; F102-I389 HydrophobicContact CZ-CG2 3.7Å
103D91.4Very high91Very high48 Ų4843.9 Ų43.926%0.25722%0.22SC..Hα-helixtrans-64.2-46.9178.4-16534000111.6H99 K100 F105 L107 Y147 V219H99-D103 IonicContact CE1-OD2 3.06Å; H99-D103 VanDerWaalsContact O-CB 3.29Å; H99-D103 WeakPolarHBondContact O-CB 3.31Å; H99-D103 PolarHBondContact O-N 3.31Å; K100-D103 PolarHBondContact O-N 3.37Å; D103-F105 PolarHBondContact O-N 2.92Å; D103-L107 WeakPolarHBondContact O-CG 3.24Å; D103-L107 PolarHBondContact O-N 3.3Å; D103-Y147 WeakPolarHBondContact CA-OH 3.44Å; D103-Y147 WeakPolarHBondContact OD1-CE1 3.15Å; D103-Y147 PolarHBondContact OD1-OH 3.2Å; D103-V219 HydrophobicContact CB-CG1 4.12Å
104E91.1Very high90.8Very high68 Ų6844.1 Ų44.132%0.31822%0.217SC..Hα-helixtrans-55.9-47.6169-72.8174.4144.800111.6K100 F106 L107 E108K100-E104 WeakPolarHBondContact CE-OE1 3.32Å; K100-E104 WeakPolarHBondContact CE-OE2 2.91Å; K100-E104 HydrophobicContact CG-CG 4.28Å; K100-E104 IonicContact NZ-OE1 2.74Å; K100-E104 PolarHBondContact NZ-OE1 3.03Å; K100-E104 VanDerWaalsContact NZ-OE1 3.11Å; K100-E104 WeakPolarHBondContact O-CB 3.38Å; K100-E104 WeakPolarHBondContact O-CG 3.48Å; K100-E104 PolarHBondContact O-N 3.29Å; E104-F106 PolarHBondContact O-N 3.36Å; E104-L107 PolarHBondContact O-N 3.43Å; E104-E108 VanDerWaalsContact O-CB 3.3Å; E104-E108 WeakPolarHBondContact O-CB 3.34Å; E104-E108 VanDerWaalsContact O-CG 3.24Å; E104-E108 WeakPolarHBondContact O-CG 3.36Å; E104-E108 PolarHBondContact O-N 2.82Å
105F89.4Confident90.6Very high12 Ų1248.9 Ų48.95%0.05323%0.232CC..Hα-helixtrans-61.6-44.9-178169.5-95.5000113.5R101 F102 D103 L107 E108 L109 E310 L382 L385R101-F105 VanDerWaalsContact O-CB 3.27Å; R101-F105 WeakPolarHBondContact O-CB 3.48Å; R101-F105 PolarHBondContact O-N 2.83Å; R101-F105 VanDerWaalsContact O-N 3.1Å; F102-F105 PolarHBondContact O-N 3.48Å; D103-F105 PolarHBondContact O-N 2.92Å; F105-L107 VanDerWaalsContact C-N 3.34Å; F105-E108 PolarHBondContact O-N 3.41Å; F105-L109 WeakPolarHBondContact O-CB 3.46Å; F105-L109 PolarHBondContact O-N 3.31Å; F105-E310 HydrophobicContact CZ-CG 4.15Å; F105-E310 WeakPolarHBondContact CZ-OE1 3.3Å; F105-L382 HydrophobicContact CD1-CD1 4.19Å; F105-L382 HydrophobicContact CE1-CB 4.04Å; F105-L382 HydrophobicContact CE1-CD1 3.8Å; F105-L382 HydrophobicContact CE1-CD2 4.07Å; F105-L382 HydrophobicContact CE1-CG 4.19Å; F105-L382 HydrophobicContact CE2-CB 4.5Å; F105-L382 HydrophobicContact CZ-CB 3.8Å; F105-L382 HydrophobicContact CZ-CD1 4.43Å; F105-L382 HydrophobicContact CZ-CD2 4.38Å; F105-L382 HydrophobicContact CZ-CG 4.42Å; F105-L385 HydrophobicContact CB-CD1 4.19Å; F105-L385 HydrophobicContact CD2-CD1 4.44Å; F105-L385 HydrophobicContact CG-CD1 4.2Å
106F88.9Confident90.2Very high2 Ų250.6 Ų50.61%0.00924%0.244CC..Hα-helixtrans-70.5-31.3179.6-64.8-56.9000112.2F102 E104 L110 Y147 A215 F218 V219 I309 L382F102-F106 HydrophobicContact CB-CE2 4.15Å; F102-F106 HydrophobicContact CD1-CE2 4.09Å; F102-F106 HydrophobicContact CD1-CZ 4.23Å; F102-F106 WeakPolarHBondContact O-CD2 3.37Å; F102-F106 PolarHBondContact O-N 2.92Å; E104-F106 PolarHBondContact O-N 3.36Å; F106-L110 VanDerWaalsContact O-CG 3.3Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.07Å; F106-Y147 HydrophobicContact CB-CD2 4.47Å; F106-Y147 HydrophobicContact CB-CE2 3.81Å; F106-Y147 HydrophobicContact CD2-CE2 4.05Å; F106-Y147 HydrophobicContact CG-CE2 4.2Å; F106-A215 HydrophobicContact CD1-CB 4.26Å; F106-A215 HydrophobicContact CD2-CB 4.46Å; F106-A215 HydrophobicContact CE1-CB 4.11Å; F106-A215 HydrophobicContact CE2-CB 4.3Å; F106-A215 HydrophobicContact CG-CB 4.46Å; F106-A215 HydrophobicContact CZ-CB 4.12Å; F106-F218 HydrophobicContact CE2-CD1 4.29Å; F106-F218 HydrophobicContact CZ-CD1 4.46Å; F106-V219 HydrophobicContact CD2-CG2 3.63Å; F106-V219 HydrophobicContact CE2-CG2 3.53Å; F106-I309 HydrophobicContact CD1-CD1 4.25Å; F106-I309 HydrophobicContact CD1-CG2 4.17Å; F106-I309 HydrophobicContact CE1-CG2 3.84Å; F106-L382 HydrophobicContact CE1-CD1 4.49Å; F106-L382 HydrophobicContact CZ-CD1 4.47Å
107L91.2Very high89.9Confident53 Ų5347.8 Ų47.828%0.27723%0.227SC..Hα-helixtrans-71.5-45173-67.1170.8000111.8D103 E104 F105 L109 L110 E111 Y147 T148D103-L107 WeakPolarHBondContact O-CG 3.24Å; D103-L107 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.43Å; F105-L107 VanDerWaalsContact C-N 3.34Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 3.2Å; L107-E111 PolarHBondContact O-N 3.01Å; L107-Y147 HydrophobicContact CD2-CD1 3.71Å; L107-Y147 HydrophobicContact CD2-CE1 3.85Å; L107-Y147 HydrophobicContact CG-CD1 4.3Å; L107-Y147 HydrophobicContact CG-CE1 3.93Å; L107-T148 HydrophobicContact CD2-CG2 4.21Å
108E89.3Confident89.8Confident79 Ų7948.4 Ų48.437%0.36923%0.226SC..Hα-helixtrans-53.8-43.9171.7-77.4168.7-167.300110.6R101 E104 F105 N112R101-E108 IonicContact CZ-OE2 2.7Å; R101-E108 IonicContact NH1-OE1 2.9Å; R101-E108 PolarHBondContact NH1-OE1 3.01Å; R101-E108 IonicContact NH1-OE2 3.82Å; R101-E108 PolarHBondContact NH1-OE2 2.86Å; R101-E108 IonicContact NH2-OE2 3.58Å; R101-E108 PolarHBondContact NH2-OE2 2.99Å; E104-E108 VanDerWaalsContact O-CB 3.3Å; E104-E108 WeakPolarHBondContact O-CB 3.34Å; E104-E108 VanDerWaalsContact O-CG 3.24Å; E104-E108 WeakPolarHBondContact O-CG 3.36Å; E104-E108 PolarHBondContact O-N 2.82Å; F105-E108 PolarHBondContact O-N 3.41Å; E108-N112 WeakPolarHBondContact O-CB 3.3Å; E108-N112 PolarHBondContact O-N 2.87Å; E108-N112 PolarHBondContact O-ND2 3.49Å
109L86.8Confident89.7Confident15 Ų1549.7 Ų49.78%0.07923%0.234CC..Hα-helixtrans-59.3-51.4176.5-179.761.9000111.4F105 L107 E111 N112 T113 I309 E310 M313 D314F105-L109 WeakPolarHBondContact O-CB 3.46Å; F105-L109 PolarHBondContact O-N 3.31Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 PolarHBondContact O-N 2.99Å; L109-E111 PolarHBondContact O-N 3.11Å; L109-N112 PolarHBondContact O-N 2.82Å; L109-T113 WeakPolarHBondContact O-CB 3.41Å; L109-T113 PolarHBondContact O-N 2.94Å; L109-T113 PolarHBondContact O-OG1 3.33Å; L109-I309 HydrophobicContact CD2-CB 4.46Å; L109-I309 HydrophobicContact CD2-CD1 4.43Å; L109-I309 HydrophobicContact CD2-CG1 4Å; L109-I309 HydrophobicContact CD2-CG2 3.86Å; L109-E310 HydrophobicContact CD2-CG 4.42Å; L109-M313 HydrophobicContact CG-CB 4.48Å; L109-D314 WeakPolarHBondContact CD1-OD1 3.41Å
110L89.7Confident89.4Confident3 Ų348.9 Ų48.92%0.01623%0.231CC..Hα-helixtrans-60.3-43.3-179.2-66.5172.6000112.9F106 L107 E114 K144 F212 M313F106-L110 VanDerWaalsContact O-CG 3.3Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.07Å; L107-L110 PolarHBondContact O-N 3.2Å; L110-E114 WeakPolarHBondContact O-CB 2.69Å; L110-E114 PolarHBondContact O-N 3.2Å; L110-K144 HydrophobicContact CB-CG 4.21Å; L110-K144 HydrophobicContact CD1-CG 3.84Å; L110-F212 HydrophobicContact CD1-CE1 4.33Å; L110-F212 HydrophobicContact CD2-CE1 3.82Å; L110-F212 HydrophobicContact CD2-CZ 3.48Å; L110-F212 VanDerWaalsContact CD2-CZ 3.48Å; L110-M313 HydrophobicContact CD2-CE 3.96Å
111E88.9Confident89.2Confident100 Ų10043.4 Ų43.447%0.46721%0.207SC..Hα-helixtrans-70.5-35.3179.1-69.3-174.4176.900113.2L107 L109 R115L107-E111 PolarHBondContact O-N 3.01Å; L109-E111 PolarHBondContact O-N 3.11Å; E111-R115 WeakPolarHBondContact O-CB 3.27Å; E111-R115 PolarHBondContact O-N 3.4Å; E111-R115 VanDerWaalsContact O-N 3.1Å
112N86.3Confident89.1Confident80 Ų8042.5 Ų42.543%0.42821%0.21SC..Hα-helixtrans-72.2-37.8175.6-70.6-39.7000111.5E108 L109 R115 S116E108-N112 WeakPolarHBondContact O-CB 3.3Å; E108-N112 PolarHBondContact O-N 2.87Å; E108-N112 PolarHBondContact O-ND2 3.49Å; L109-N112 PolarHBondContact O-N 2.82Å; N112-R115 PolarHBondContact O-N 3.26Å; N112-R115 PolarHBondContact OD1-NH1 3.4Å; N112-S116 PolarHBondContact O-N 2.96Å
113T86.3Confident89Confident6 Ų650.3 Ų50.34%0.03724%0.239CC..Hα-helixtrans-65-44.1174.2-54.20000112.2L109 R115 S116 L117 F140 M313 I316L109-T113 WeakPolarHBondContact O-CB 3.41Å; L109-T113 PolarHBondContact O-N 2.94Å; L109-T113 PolarHBondContact O-OG1 3.33Å; T113-R115 VanDerWaalsContact C-N 3.3Å; T113-R115 PolarHBondContact O-N 3.45Å; T113-S116 PolarHBondContact O-N 2.95Å; T113-L117 PolarHBondContact O-N 3.1Å; T113-F140 HydrophobicContact CG2-CE1 3.92Å; T113-F140 HydrophobicContact CG2-CZ 4.04Å; T113-M313 HydrophobicContact CG2-CB 4.31Å; T113-M313 HydrophobicContact CG2-CE 4.07Å; T113-M313 WeakPolarHBondContact CG2-O 3.45Å; T113-I316 HydrophobicContact CG2-CB 4.49Å; T113-I316 HydrophobicContact CG2-CG2 3.3Å
114E91.5Very high88.6Confident53 Ų5349.7 Ų49.725%0.24824%0.237CC..Hα-helixtrans-58.3-42.4174.5179.9179.8-133.800111.6L110 L117 N118 F140 K144L110-E114 WeakPolarHBondContact O-CB 2.69Å; L110-E114 PolarHBondContact O-N 3.2Å; E114-L117 PolarHBondContact O-N 2.99Å; E114-N118 PolarHBondContact O-N 3.47Å; E114-F140 HydrophobicContact CB-CB 4.24Å; E114-F140 HydrophobicContact CB-CD1 3.88Å; E114-F140 HydrophobicContact CB-CD2 3.84Å; E114-F140 HydrophobicContact CB-CE1 4.16Å; E114-F140 HydrophobicContact CB-CE2 4.11Å; E114-F140 HydrophobicContact CB-CG 3.72Å; E114-F140 HydrophobicContact CB-CZ 4.27Å; E114-F140 HydrophobicContact CG-CB 4Å; E114-F140 HydrophobicContact CG-CD1 4.49Å; E114-F140 HydrophobicContact CG-CD2 3.72Å; E114-F140 HydrophobicContact CG-CE2 4.32Å; E114-F140 HydrophobicContact CG-CG 3.83Å; E114-F140 VanDerWaalsContact OE1-CB 3.31Å; E114-F140 WeakPolarHBondContact OE1-CB 3.37Å; E114-K144 IonicContact OE1-NZ 3.57Å; E114-K144 IonicContact OE2-NZ 2.87Å; E114-K144 PolarHBondContact OE2-NZ 2.94Å
115R89.3Confident88.3Confident122 Ų12247.5 Ų47.546%0.4623%0.226SC..Hα-helixtrans-64.7-45.4175-164.5-176.5-52.6121.114.6112.3E111 N112 T113 L117 N118 E119E111-R115 WeakPolarHBondContact O-CB 3.27Å; E111-R115 PolarHBondContact O-N 3.4Å; E111-R115 VanDerWaalsContact O-N 3.1Å; N112-R115 PolarHBondContact O-N 3.26Å; N112-R115 PolarHBondContact OD1-NH1 3.4Å; T113-R115 VanDerWaalsContact C-N 3.3Å; T113-R115 PolarHBondContact O-N 3.45Å; R115-L117 PolarHBondContact O-N 3.35Å; R115-N118 PolarHBondContact O-N 3.47Å; R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 WeakPolarHBondContact O-CG 3.42Å; R115-E119 PolarHBondContact O-N 2.85Å
116S86.2Confident88.2Confident37 Ų3747.9 Ų47.926%0.25923%0.233SC..Hα-helixtrans-57.6-48.1176-1730000111.2N112 T113 N118 E119 M120 D317N112-S116 PolarHBondContact O-N 2.96Å; T113-S116 PolarHBondContact O-N 2.95Å; S116-N118 PolarHBondContact O-N 3.49Å; S116-E119 PolarHBondContact O-N 2.89Å; S116-M120 WeakPolarHBondContact O-CB 3.44Å; S116-M120 PolarHBondContact O-N 3.05Å; S116-D317 WeakPolarHBondContact CB-OD2 3.44Å; S116-D317 PolarHBondContact OG-OD2 3.44Å
117L90.1Very high88.2Confident1 Ų152.9 Ų52.91%0.00526%0.255CS..Hα-helixtrans-58.9-50178.8-169.4146000111.2T113 E114 R115 M120 F121 Y129 F136 F140 D317 I320T113-L117 PolarHBondContact O-N 3.1Å; E114-L117 PolarHBondContact O-N 2.99Å; R115-L117 PolarHBondContact O-N 3.35Å; L117-M120 PolarHBondContact O-N 2.97Å; L117-F121 HydrophobicContact CD1-CE1 4.26Å; L117-F121 HydrophobicContact CD1-CZ 4.33Å; L117-F121 HydrophobicContact CD2-CD1 4.03Å; L117-F121 HydrophobicContact CD2-CD2 4.15Å; L117-F121 HydrophobicContact CD2-CE1 4.22Å; L117-F121 HydrophobicContact CD2-CE2 4.33Å; L117-F121 HydrophobicContact CD2-CG 4.01Å; L117-F121 HydrophobicContact CD2-CZ 4.37Å; L117-F121 HydrophobicContact CG-CD1 3.86Å; L117-F121 HydrophobicContact CG-CE1 3.77Å; L117-F121 HydrophobicContact CG-CG 4.36Å; L117-F121 HydrophobicContact CG-CZ 4.19Å; L117-F121 WeakPolarHBondContact O-CB 3.37Å; L117-F121 WeakPolarHBondContact O-CD1 3.48Å; L117-F121 WeakPolarHBondContact O-CG 3.44Å; L117-F121 PolarHBondContact O-N 2.79Å; L117-Y129 HydrophobicContact CD2-CE2 4.25Å; L117-F136 HydrophobicContact CD1-CD1 4.5Å; L117-F136 HydrophobicContact CD2-CB 4.08Å; L117-F136 HydrophobicContact CD2-CD1 3.91Å; L117-F136 HydrophobicContact CD2-CG 4.17Å; L117-F140 HydrophobicContact CB-CE2 4.17Å; L117-F140 HydrophobicContact CB-CZ 4.31Å; L117-F140 HydrophobicContact CD1-CE2 3.95Å; L117-F140 HydrophobicContact CD1-CZ 4.12Å; L117-F140 HydrophobicContact CG-CE2 4.43Å; L117-D317 HydrophobicContact CB-CB 3.79Å; L117-D317 HydrophobicContact CD1-CB 4.01Å; L117-D317 HydrophobicContact CG-CB 3.86Å; L117-I320 HydrophobicContact CD1-CD1 3.94Å
118N91.9Very high88Confident68 Ų6852 Ų5236%0.36425%0.253SS..Hα-helixtrans-61-46.7177.6171.459000112.2E114 R115 S116 M120 F121 V122 Y129E114-N118 PolarHBondContact O-N 3.47Å; R115-N118 PolarHBondContact O-N 3.47Å; S116-N118 PolarHBondContact O-N 3.49Å; N118-M120 PolarHBondContact O-N 2.04Å; N118-F121 PolarHBondContact O-N 3.1Å; N118-V122 WeakPolarHBondContact O-CB 3.02Å; N118-V122 VanDerWaalsContact O-CG2 3.28Å; N118-V122 WeakPolarHBondContact O-CG2 3.47Å; N118-V122 PolarHBondContact O-N 2.93Å; N118-Y129 WeakPolarHBondContact CA-OH 3.43Å
119E88.7Confident88.1Confident79 Ų7948.9 Ų48.937%0.36924%0.237SC..Hα-helixtrans-63.7-41.6179.2-75.6-161.5-132.400112.8R115 S116 R123R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 WeakPolarHBondContact O-CG 3.42Å; R115-E119 PolarHBondContact O-N 2.85Å; S116-E119 PolarHBondContact O-N 2.89Å; E119-R123 WeakPolarHBondContact O-CB 3.28Å; E119-R123 VanDerWaalsContact O-CD 3.23Å; E119-R123 WeakPolarHBondContact O-CD 3.47Å; E119-R123 WeakPolarHBondContact O-CG 3.45Å; E119-R123 PolarHBondContact O-N 3.02Å; E119-R123 PolarHBondContact O-NE 3.31Å; E119-R123 IonicContact OE2-CZ 2.65Å; E119-R123 IonicContact OE2-NH2 2.76Å; E119-R123 PolarHBondContact OE2-NH2 3.32Å
120M85.6Confident88.3Confident6 Ų654 Ų543%0.0326%0.263CS..Hα-helixtrans-67.7-45.9175-171.3-177.974.800111S116 L117 N118 V122 R123 T124 D317 Y368S116-M120 WeakPolarHBondContact O-CB 3.44Å; S116-M120 PolarHBondContact O-N 3.05Å; L117-M120 PolarHBondContact O-N 2.97Å; N118-M120 PolarHBondContact O-N 2.04Å; M120-V122 PolarHBondContact O-N 3.25Å; M120-R123 PolarHBondContact O-N 2.7Å; M120-R123 VanDerWaalsContact O-N 3.15Å; M120-T124 VanDerWaalsContact O-CB 3.28Å; M120-T124 WeakPolarHBondContact O-CB 3.42Å; M120-T124 PolarHBondContact O-N 3.48Å; M120-T124 PolarHBondContact O-OG1 3.15Å; M120-T124 VanDerWaalsContact O-OG1 3.08Å; M120-D317 HydrophobicContact CE-CB 3.9Å; M120-D317 WeakPolarHBondContact CE-O 3.43Å; M120-Y368 HydrophobicContact CB-CD1 4.42Å; M120-Y368 HydrophobicContact CB-CE1 4.36Å; M120-Y368 HydrophobicContact CB-CG 4.5Å; M120-Y368 HydrophobicContact CG-CD1 3.7Å; M120-Y368 HydrophobicContact CG-CD2 4.04Å; M120-Y368 HydrophobicContact CG-CE1 4.14Å; M120-Y368 HydrophobicContact CG-CE2 4.47Å; M120-Y368 HydrophobicContact CG-CG 3.62Å; M120-Y368 HydrophobicContact SD-CD1 3.3Å; M120-Y368 WeakPolarHBondContact SD-CD1 3.47Å; M120-Y368 HydrophobicContact SD-CE1 3.91Å; M120-Y368 HydrophobicContact SD-CG 3.73Å
121F89.8Confident88.4Confident1 Ų160.1 Ų60.10%0.00429%0.291CS..Hα-helixtrans-71.1-34-174.2-80.748.3000112.3L117 N118 R123 T124 Y125 G126 Y129 F136 D317 I320 I324L117-F121 HydrophobicContact CD1-CE1 4.26Å; L117-F121 HydrophobicContact CD1-CZ 4.33Å; L117-F121 HydrophobicContact CD2-CD1 4.03Å; L117-F121 HydrophobicContact CD2-CD2 4.15Å; L117-F121 HydrophobicContact CD2-CE1 4.22Å; L117-F121 HydrophobicContact CD2-CE2 4.33Å; L117-F121 HydrophobicContact CD2-CG 4.01Å; L117-F121 HydrophobicContact CD2-CZ 4.37Å; L117-F121 HydrophobicContact CG-CD1 3.86Å; L117-F121 HydrophobicContact CG-CE1 3.77Å; L117-F121 HydrophobicContact CG-CG 4.36Å; L117-F121 HydrophobicContact CG-CZ 4.19Å; L117-F121 WeakPolarHBondContact O-CB 3.37Å; L117-F121 WeakPolarHBondContact O-CD1 3.48Å; L117-F121 WeakPolarHBondContact O-CG 3.44Å; L117-F121 PolarHBondContact O-N 2.79Å; N118-F121 PolarHBondContact O-N 3.1Å; F121-R123 VanDerWaalsContact C-N 3.33Å; F121-T124 PolarHBondContact O-N 3.08Å; F121-Y125 HydrophobicContact CB-CD2 4.09Å; F121-Y125 HydrophobicContact CD1-CE2 4.37Å; F121-Y125 AromaticContact CD2-CD2 3.65Å; F121-Y125 HydrophobicContact CD2-CD2 3.65Å; F121-Y125 AromaticContact CD2-CE2 3.72Å; F121-Y125 HydrophobicContact CD2-CE2 3.72Å; F121-Y125 HydrophobicContact CE1-CE2 4.42Å; F121-Y125 HydrophobicContact CE2-CD2 4.19Å; F121-Y125 AromaticContact CE2-CE2 3.8Å; F121-Y125 HydrophobicContact CE2-CE2 3.8Å; F121-Y125 AromaticContact CG-CD2 3.85Å; F121-Y125 HydrophobicContact CG-CD2 3.85Å; F121-Y125 HydrophobicContact CG-CE2 4.02Å; F121-Y125 HydrophobicContact CZ-CE2 4.15Å; F121-Y125 WeakPolarHBondContact O-CA 2.99Å; F121-Y125 WeakPolarHBondContact O-CB 3.45Å; F121-Y125 PolarHBondContact O-N 2.9Å; F121-G126 PolarHBondContact O-N 3.06Å; F121-G126 VanDerWaalsContact O-N 3.16Å; F121-Y129 HydrophobicContact CB-CD1 3.66Å; F121-Y129 HydrophobicContact CB-CD2 3.68Å; F121-Y129 HydrophobicContact CB-CE1 3.74Å; F121-Y129 HydrophobicContact CB-CE2 3.72Å; F121-Y129 HydrophobicContact CB-CG 3.63Å; F121-Y129 AromaticContact CD2-CD2 3.59Å; F121-Y129 HydrophobicContact CD2-CD2 3.59Å; F121-Y129 AromaticContact CD2-CE2 3.73Å; F121-Y129 HydrophobicContact CD2-CE2 3.73Å; F121-Y129 HydrophobicContact CD2-CG 4.28Å; F121-Y129 HydrophobicContact CG-CD2 4.11Å; F121-Y129 HydrophobicContact CG-CE2 4.08Å; F121-Y129 HydrophobicContact CG-CG 4.49Å; F121-F136 HydrophobicContact CD2-CE1 4.17Å; F121-F136 HydrophobicContact CD2-CZ 4.28Å; F121-F136 HydrophobicContact CE2-CD1 4.26Å; F121-F136 AromaticContact CE2-CE1 3.58Å; F121-F136 HydrophobicContact CE2-CE1 3.58Å; F121-F136 AromaticContact CE2-CZ 3.97Å; F121-F136 HydrophobicContact CE2-CZ 3.97Å; F121-F136 HydrophobicContact CZ-CE1 4.42Å; F121-D317 HydrophobicContact CE1-CB 4.14Å; F121-D317 WeakPolarHBondContact CE1-O 3.46Å; F121-I320 HydrophobicContact CE2-CG2 4.14Å; F121-I320 HydrophobicContact CZ-CB 4.09Å; F121-I320 HydrophobicContact CZ-CG2 3.83Å; F121-I324 HydrophobicContact CD2-CD1 4.5Å; F121-I324 HydrophobicContact CE2-CD1 3.55Å; F121-I324 HydrophobicContact CZ-CD1 4.1Å
122V89.6Confident88.6Confident58 Ų5856.6 Ų56.635%0.35228%0.276SS..Hα-helixtrans-62.9-39.6169.51710000111.2N118 M120 G126 Y129 M130N118-V122 WeakPolarHBondContact O-CB 3.02Å; N118-V122 VanDerWaalsContact O-CG2 3.28Å; N118-V122 WeakPolarHBondContact O-CG2 3.47Å; N118-V122 PolarHBondContact O-N 2.93Å; M120-V122 PolarHBondContact O-N 3.25Å; V122-G126 VanDerWaalsContact O-CA 3.25Å; V122-G126 WeakPolarHBondContact O-CA 3.47Å; V122-G126 PolarHBondContact O-N 3.32Å; V122-Y129 HydrophobicContact CG2-CD1 3.87Å; V122-Y129 HydrophobicContact CG2-CE1 3.83Å; V122-M130 HydrophobicContact CG2-CG 4.24Å
123R86.5Confident89Confident166 Ų16653.4 Ų53.463%0.62626%0.26SS*.Hα-helixtrans-73.6-35178.5-66.5167.9-163-161.19.3113E119 M120 F121E119-R123 WeakPolarHBondContact O-CB 3.28Å; E119-R123 VanDerWaalsContact O-CD 3.23Å; E119-R123 WeakPolarHBondContact O-CD 3.47Å; E119-R123 WeakPolarHBondContact O-CG 3.45Å; E119-R123 PolarHBondContact O-N 3.02Å; E119-R123 PolarHBondContact O-NE 3.31Å; E119-R123 IonicContact OE2-CZ 2.65Å; E119-R123 IonicContact OE2-NH2 2.76Å; E119-R123 PolarHBondContact OE2-NH2 3.32Å; M120-R123 PolarHBondContact O-N 2.7Å; M120-R123 VanDerWaalsContact O-N 3.15Å; F121-R123 VanDerWaalsContact C-N 3.33Å
124T83.1Confident89.4Confident34 Ų3458.6 Ų58.621%0.20928%0.284CS..Hα-helixtrans-91-44.1-173-64.20000113.3M120 F121 F365M120-T124 VanDerWaalsContact O-CB 3.28Å; M120-T124 WeakPolarHBondContact O-CB 3.42Å; M120-T124 PolarHBondContact O-N 3.48Å; M120-T124 PolarHBondContact O-OG1 3.15Å; M120-T124 VanDerWaalsContact O-OG1 3.08Å; F121-T124 PolarHBondContact O-N 3.08Å; T124-F365 HydrophobicContact CG2-CD1 3.73Å; T124-F365 HydrophobicContact CG2-CE1 3.94Å
125Y84.9Confident89.6Confident22 Ų2256.8 Ų56.89%0.08628%0.277CS..THydrogen-bonded Turntrans-110.5-26-175.7-58-63.6000113.4F121 K127 P128 S321 I324 F361 F365F121-Y125 HydrophobicContact CB-CD2 4.09Å; F121-Y125 HydrophobicContact CD1-CE2 4.37Å; F121-Y125 AromaticContact CD2-CD2 3.65Å; F121-Y125 HydrophobicContact CD2-CD2 3.65Å; F121-Y125 AromaticContact CD2-CE2 3.72Å; F121-Y125 HydrophobicContact CD2-CE2 3.72Å; F121-Y125 HydrophobicContact CE1-CE2 4.42Å; F121-Y125 HydrophobicContact CE2-CD2 4.19Å; F121-Y125 AromaticContact CE2-CE2 3.8Å; F121-Y125 HydrophobicContact CE2-CE2 3.8Å; F121-Y125 AromaticContact CG-CD2 3.85Å; F121-Y125 HydrophobicContact CG-CD2 3.85Å; F121-Y125 HydrophobicContact CG-CE2 4.02Å; F121-Y125 HydrophobicContact CZ-CE2 4.15Å; F121-Y125 WeakPolarHBondContact O-CA 2.99Å; F121-Y125 WeakPolarHBondContact O-CB 3.45Å; F121-Y125 PolarHBondContact O-N 2.9Å; Y125-K127 PolarHBondContact O-N 3.02Å; Y125-P128 WeakPolarHBondContact O-CD 3.43Å; Y125-S321 WeakPolarHBondContact OH-CA 2.99Å; Y125-S321 PolarHBondContact OH-O 3.12Å; Y125-S321 PolarHBondContact OH-OG 2.87Å; Y125-S321 VanDerWaalsContact OH-OG 3.05Å; Y125-I324 HydrophobicContact CE1-CG2 3.73Å; Y125-I324 HydrophobicContact CE2-CD1 4.04Å; Y125-I324 WeakPolarHBondContact OH-CB 3.5Å; Y125-I324 WeakPolarHBondContact OH-CG2 3.42Å; Y125-F361 HydrophobicContact CD1-CE1 4.23Å; Y125-F361 AromaticContact CD1-CZ 3.85Å; Y125-F361 HydrophobicContact CD1-CZ 3.85Å; Y125-F365 AromaticContact CE1-CE1 3.76Å; Y125-F365 HydrophobicContact CE1-CE1 3.76Å; Y125-F365 HydrophobicContact CE1-CZ 4.25Å
126G88.7Confident89.9Confident20 Ų2051.5 Ų51.521%0.20626%0.257CS..  trans62-132.4175.300000113.8F121 V122 Y129 M130F121-G126 PolarHBondContact O-N 3.06Å; F121-G126 VanDerWaalsContact O-N 3.16Å; V122-G126 VanDerWaalsContact O-CA 3.25Å; V122-G126 WeakPolarHBondContact O-CA 3.47Å; V122-G126 PolarHBondContact O-N 3.32Å; G126-Y129 WeakPolarHBondContact O-CA 3.46Å; G126-Y129 WeakPolarHBondContact O-CB 3.49Å; G126-Y129 PolarHBondContact O-N 2.88Å; G126-M130 PolarHBondContact O-N 3.18Å
127K88.3Confident90.3Very high107 Ų10754.8 Ų54.847%0.46527%0.268SS..Hα-helixtrans-52.1-47.7-172.1175-177.2175.4-171.80114.2Y125 Y129 M130 Q131 D359Y125-K127 PolarHBondContact O-N 3.02Å; K127-Y129 VanDerWaalsContact C-N 3.27Å; K127-Y129 PolarHBondContact O-N 3.37Å; K127-M130 PolarHBondContact O-N 3.3Å; K127-M130 VanDerWaalsContact O-N 3.13Å; K127-Q131 HydrophobicContact CG-CG 4.33Å; K127-Q131 WeakPolarHBondContact O-CG 3.07Å; K127-Q131 PolarHBondContact O-N 3.08Å; K127-D359 IonicContact NZ-OD2 3.22Å; K127-D359 PolarHBondContact NZ-OD2 3.44Å
128P87.3Confident90.6Very high35 Ų3558 Ų5823%0.22729%0.285CS..Hα-helixtrans-52-37.5171.9-31.334000115.5Y125 N132 F361Y125-P128 WeakPolarHBondContact O-CD 3.43Å; P128-N132 PolarHBondContact O-ND2 2.89Å; P128-F361 HydrophobicContact CB-CD2 3.96Å; P128-F361 HydrophobicContact CB-CE2 3.5Å; P128-F361 VanDerWaalsContact CB-CE2 3.5Å; P128-F361 HydrophobicContact CB-CZ 4.44Å; P128-F361 HydrophobicContact CG-CD2 3.73Å; P128-F361 HydrophobicContact CG-CE2 3.73Å
129Y90.7Very high90.7Very high13 Ų1355 Ų555%0.05127%0.269CS..Hα-helixtrans-72.4-47.9173167.1-105.7000111.3L117 N118 F121 V122 G126 K127 Q131 N132 A133 F136L117-Y129 HydrophobicContact CD2-CE2 4.25Å; N118-Y129 WeakPolarHBondContact CA-OH 3.43Å; F121-Y129 HydrophobicContact CB-CD1 3.66Å; F121-Y129 HydrophobicContact CB-CD2 3.68Å; F121-Y129 HydrophobicContact CB-CE1 3.74Å; F121-Y129 HydrophobicContact CB-CE2 3.72Å; F121-Y129 HydrophobicContact CB-CG 3.63Å; F121-Y129 AromaticContact CD2-CD2 3.59Å; F121-Y129 HydrophobicContact CD2-CD2 3.59Å; F121-Y129 AromaticContact CD2-CE2 3.73Å; F121-Y129 HydrophobicContact CD2-CE2 3.73Å; F121-Y129 HydrophobicContact CD2-CG 4.28Å; F121-Y129 HydrophobicContact CG-CD2 4.11Å; F121-Y129 HydrophobicContact CG-CE2 4.08Å; F121-Y129 HydrophobicContact CG-CG 4.49Å; V122-Y129 HydrophobicContact CG2-CD1 3.87Å; V122-Y129 HydrophobicContact CG2-CE1 3.83Å; G126-Y129 WeakPolarHBondContact O-CA 3.46Å; G126-Y129 WeakPolarHBondContact O-CB 3.49Å; G126-Y129 PolarHBondContact O-N 2.88Å; K127-Y129 VanDerWaalsContact C-N 3.27Å; K127-Y129 PolarHBondContact O-N 3.37Å; Y129-Q131 PolarHBondContact O-N 3.41Å; Y129-Q131 VanDerWaalsContact O-N 3.09Å; Y129-N132 CarbonylContact O-C 3.36Å; Y129-N132 WeakPolarHBondContact O-CA 3.17Å; Y129-N132 PolarHBondContact O-N 3.32Å; Y129-A133 HydrophobicContact CE1-CB 4.37Å; Y129-A133 HydrophobicContact CE2-CB 4.4Å; Y129-A133 PolarHBondContact O-N 3.17Å; Y129-F136 HydrophobicContact CD2-CD2 4.03Å; Y129-F136 AromaticContact CD2-CE2 3.81Å; Y129-F136 HydrophobicContact CD2-CE2 3.81Å; Y129-F136 HydrophobicContact CD2-CZ 4.33Å; Y129-F136 HydrophobicContact CE2-CB 4.45Å; Y129-F136 HydrophobicContact CE2-CD1 4.5Å; Y129-F136 AromaticContact CE2-CD2 3.52Å; Y129-F136 HydrophobicContact CE2-CD2 3.52Å; Y129-F136 AromaticContact CE2-CE2 3.78Å; Y129-F136 HydrophobicContact CE2-CE2 3.78Å; Y129-F136 AromaticContact CE2-CG 3.92Å; Y129-F136 HydrophobicContact CE2-CG 3.92Å; Y129-F136 HydrophobicContact CE2-CZ 4.38Å
130M91.5Very high91Very high124 Ų12451.4 Ų51.461%0.61125%0.252SS*.Hα-helixtrans-58.1-27.4179.7-62.5178.57500113.3V122 G126 K127 N132V122-M130 HydrophobicContact CG2-CG 4.24Å; G126-M130 PolarHBondContact O-N 3.18Å; K127-M130 PolarHBondContact O-N 3.3Å; K127-M130 VanDerWaalsContact O-N 3.13Å; M130-N132 VanDerWaalsContact C-N 3.34Å
131Q91.9Very high91.5Very high130 Ų13053.4 Ų53.461%0.60727%0.27SS*.THydrogen-bonded Turntrans-81.7-7.2175.3-68.4-179-68.500114.2K127 Y129K127-Q131 HydrophobicContact CG-CG 4.33Å; K127-Q131 WeakPolarHBondContact O-CG 3.07Å; K127-Q131 PolarHBondContact O-N 3.08Å; Y129-Q131 PolarHBondContact O-N 3.41Å; Y129-Q131 VanDerWaalsContact O-N 3.09Å
132N93.1Very high91.7Very high27 Ų2755.7 Ų55.714%0.14428%0.28CS..THydrogen-bonded Turntrans-134.812.3-177.3-64-87.7000112.9P128 Y129 M130 E134 V135 R168P128-N132 PolarHBondContact O-ND2 2.89Å; Y129-N132 CarbonylContact O-C 3.36Å; Y129-N132 WeakPolarHBondContact O-CA 3.17Å; Y129-N132 PolarHBondContact O-N 3.32Å; M130-N132 VanDerWaalsContact C-N 3.34Å; N132-E134 PolarHBondContact O-N 2.98Å; N132-V135 PolarHBondContact O-N 3.33Å; N132-V135 VanDerWaalsContact O-N 3.1Å; N132-R168 VanDerWaalsContact OD1-CD 3.28Å; N132-R168 WeakPolarHBondContact OD1-CD 3.47Å; N132-R168 WeakPolarHBondContact OD1-CG 3.08Å
133A94.3Very high91.9Very high12 Ų1252.9 Ų52.910%0.09926%0.264CS..THydrogen-bonded Turntrans-57.9-32.9-173.600000112.8Y129 V135 F136 E137Y129-A133 HydrophobicContact CE1-CB 4.37Å; Y129-A133 HydrophobicContact CE2-CB 4.4Å; Y129-A133 PolarHBondContact O-N 3.17Å; A133-V135 PolarHBondContact O-N 2.93Å; A133-F136 WeakPolarHBondContact O-CA 3.29Å; A133-F136 WeakPolarHBondContact O-CB 3.37Å; A133-F136 PolarHBondContact O-N 3.43Å; A133-E137 PolarHBondContact O-N 2.88Å
134E95.3Very high92.3Very high116 Ų11647 Ų4754%0.54224%0.243SC..Hα-helixtrans-48.6-32.8174.6-157.2-150.9138.800113.6N132 F136 N138N132-E134 PolarHBondContact O-N 2.98Å; E134-F136 VanDerWaalsContact C-N 3.27Å; E134-F136 PolarHBondContact O-N 3.26Å; E134-N138 VanDerWaalsContact O-CB 3.27Å; E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 VanDerWaalsContact O-CG 3.29Å; E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 2.99Å; E134-N138 PolarHBondContact OE1-ND2 3.27Å
135V95.3Very high92.8Very high15 Ų1551.4 Ų51.49%0.09126%0.256CS..Hα-helixtrans-66-31.9177.8-178.50000111.6N132 A133 F161 R164 R168N132-V135 PolarHBondContact O-N 3.33Å; N132-V135 VanDerWaalsContact O-N 3.1Å; A133-V135 PolarHBondContact O-N 2.93Å; V135-F161 HydrophobicContact CG1-CD2 3.97Å; V135-F161 HydrophobicContact CG1-CE2 4.06Å; V135-R164 HydrophobicContact CG1-CB 4.14Å; V135-R168 HydrophobicContact CG2-CG 4.27Å
136F95.3Very high93.1Very high10 Ų1050.9 Ų50.94%0.04425%0.253CS..Hα-helixtrans-90.6-37.7-179.7-52.9-97.2000111.1L117 F121 Y129 A133 E134 L139 F140 F161 L165 I320 I324L117-F136 HydrophobicContact CD1-CD1 4.5Å; L117-F136 HydrophobicContact CD2-CB 4.08Å; L117-F136 HydrophobicContact CD2-CD1 3.91Å; L117-F136 HydrophobicContact CD2-CG 4.17Å; F121-F136 HydrophobicContact CD2-CE1 4.17Å; F121-F136 HydrophobicContact CD2-CZ 4.28Å; F121-F136 HydrophobicContact CE2-CD1 4.26Å; F121-F136 AromaticContact CE2-CE1 3.58Å; F121-F136 HydrophobicContact CE2-CE1 3.58Å; F121-F136 AromaticContact CE2-CZ 3.97Å; F121-F136 HydrophobicContact CE2-CZ 3.97Å; F121-F136 HydrophobicContact CZ-CE1 4.42Å; Y129-F136 HydrophobicContact CD2-CD2 4.03Å; Y129-F136 AromaticContact CD2-CE2 3.81Å; Y129-F136 HydrophobicContact CD2-CE2 3.81Å; Y129-F136 HydrophobicContact CD2-CZ 4.33Å; Y129-F136 HydrophobicContact CE2-CB 4.45Å; Y129-F136 HydrophobicContact CE2-CD1 4.5Å; Y129-F136 AromaticContact CE2-CD2 3.52Å; Y129-F136 HydrophobicContact CE2-CD2 3.52Å; Y129-F136 AromaticContact CE2-CE2 3.78Å; Y129-F136 HydrophobicContact CE2-CE2 3.78Å; Y129-F136 AromaticContact CE2-CG 3.92Å; Y129-F136 HydrophobicContact CE2-CG 3.92Å; Y129-F136 HydrophobicContact CE2-CZ 4.38Å; A133-F136 WeakPolarHBondContact O-CA 3.29Å; A133-F136 WeakPolarHBondContact O-CB 3.37Å; A133-F136 PolarHBondContact O-N 3.43Å; E134-F136 VanDerWaalsContact C-N 3.27Å; E134-F136 PolarHBondContact O-N 3.26Å; F136-L139 WeakPolarHBondContact O-CB 3.42Å; F136-L139 PolarHBondContact O-N 3.29Å; F136-F140 VanDerWaalsContact O-CD2 3.29Å; F136-F140 WeakPolarHBondContact O-CD2 3.29Å; F136-F140 PolarHBondContact O-N 2.84Å; F136-F140 VanDerWaalsContact O-N 3.1Å; F136-F161 AromaticContact CD1-CE2 3.97Å; F136-F161 HydrophobicContact CD1-CE2 3.97Å; F136-F161 HydrophobicContact CD1-CZ 4.19Å; F136-F161 HydrophobicContact CE1-CE2 4.21Å; F136-F161 HydrophobicContact CE1-CZ 4.16Å; F136-L165 HydrophobicContact CE1-CD1 4.44Å; F136-L165 HydrophobicContact CZ-CD1 3.79Å; F136-I320 HydrophobicContact CE1-CG2 3.86Å; F136-I324 HydrophobicContact CZ-CD1 4.47Å
137E95.1Very high93.2Very high106 Ų10650.5 Ų50.550%0.49525%0.246SC..Hα-helixtrans-59.3-45.4172.2-66.6170.5176.900111A133 L139 F140 A141A133-E137 PolarHBondContact O-N 2.88Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 3.1Å; E137-F140 PolarHBondContact O-N 2.99Å; E137-A141 WeakPolarHBondContact O-CB 3.28Å; E137-A141 PolarHBondContact O-N 3.32Å
138N95.5Very high93.4Very high69 Ų6950.1 Ų50.137%0.36925%0.252SS..Hα-helixtrans-61.7-37.5174.6-78.4-51.1000112.5E134 A141 E142E134-N138 VanDerWaalsContact O-CB 3.27Å; E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 VanDerWaalsContact O-CG 3.29Å; E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 2.99Å; E134-N138 PolarHBondContact OE1-ND2 3.27Å; N138-A141 PolarHBondContact O-N 3.46Å; N138-E142 WeakPolarHBondContact O-CB 3Å; N138-E142 WeakPolarHBondContact O-CG 3.41Å; N138-E142 PolarHBondContact O-N 3.1Å
139L95Very high93.1Very high5 Ų549.5 Ų49.53%0.02625%0.253CS..Hα-helixtrans-60.3-49.6174.8168.663.8000111.2F136 E137 E142 L143 M157 L158 F161 I320F136-L139 WeakPolarHBondContact O-CB 3.42Å; F136-L139 PolarHBondContact O-N 3.29Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 3.1Å; L139-E142 PolarHBondContact O-N 3.39Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CG 4.14Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.18Å; L139-M157 HydrophobicContact CD1-CE 4.3Å; L139-M157 HydrophobicContact CD1-SD 3.51Å; L139-M157 VanDerWaalsContact CD1-SD 3.51Å; L139-L158 HydrophobicContact CD1-CD2 3.75Å; L139-F161 HydrophobicContact CB-CD2 3.86Å; L139-F161 HydrophobicContact CB-CE2 4.3Å; L139-F161 HydrophobicContact CB-CG 4.43Å; L139-F161 HydrophobicContact CD1-CB 4.44Å; L139-F161 HydrophobicContact CD1-CG 4.34Å; L139-F161 HydrophobicContact CD2-CD1 4.18Å; L139-F161 HydrophobicContact CD2-CD2 3.79Å; L139-F161 HydrophobicContact CD2-CE1 4.1Å; L139-F161 HydrophobicContact CD2-CE2 3.69Å; L139-F161 HydrophobicContact CD2-CG 4.03Å; L139-F161 HydrophobicContact CD2-CZ 3.86Å; L139-F161 HydrophobicContact CG-CD2 4.28Å; L139-F161 HydrophobicContact CG-CG 4.5Å; L139-I320 HydrophobicContact CD2-CD1 4.18Å
140F94.9Very high92.6Very high3 Ų350 Ų501%0.01326%0.262CS..Hα-helixtrans-69.5-35.6178.6-74.2-73.7000112.8T113 E114 L117 F136 E137 E142 L143 K144 M313 I316T113-F140 HydrophobicContact CG2-CE1 3.92Å; T113-F140 HydrophobicContact CG2-CZ 4.04Å; E114-F140 HydrophobicContact CB-CB 4.24Å; E114-F140 HydrophobicContact CB-CD1 3.88Å; E114-F140 HydrophobicContact CB-CD2 3.84Å; E114-F140 HydrophobicContact CB-CE1 4.16Å; E114-F140 HydrophobicContact CB-CE2 4.11Å; E114-F140 HydrophobicContact CB-CG 3.72Å; E114-F140 HydrophobicContact CB-CZ 4.27Å; E114-F140 HydrophobicContact CG-CB 4Å; E114-F140 HydrophobicContact CG-CD1 4.49Å; E114-F140 HydrophobicContact CG-CD2 3.72Å; E114-F140 HydrophobicContact CG-CE2 4.32Å; E114-F140 HydrophobicContact CG-CG 3.83Å; E114-F140 VanDerWaalsContact OE1-CB 3.31Å; E114-F140 WeakPolarHBondContact OE1-CB 3.37Å; L117-F140 HydrophobicContact CB-CE2 4.17Å; L117-F140 HydrophobicContact CB-CZ 4.31Å; L117-F140 HydrophobicContact CD1-CE2 3.95Å; L117-F140 HydrophobicContact CD1-CZ 4.12Å; L117-F140 HydrophobicContact CG-CE2 4.43Å; F136-F140 VanDerWaalsContact O-CD2 3.29Å; F136-F140 WeakPolarHBondContact O-CD2 3.29Å; F136-F140 PolarHBondContact O-N 2.84Å; F136-F140 VanDerWaalsContact O-N 3.1Å; E137-F140 PolarHBondContact O-N 2.99Å; F140-E142 PolarHBondContact O-N 3.38Å; F140-L143 HydrophobicContact CD1-CD1 4.36Å; F140-L143 PolarHBondContact O-N 3.14Å; F140-K144 WeakPolarHBondContact O-CB 3.31Å; F140-K144 VanDerWaalsContact O-CG 3.27Å; F140-K144 WeakPolarHBondContact O-CG 3.07Å; F140-K144 PolarHBondContact O-N 3.37Å; F140-M313 HydrophobicContact CE1-CE 3.97Å; F140-I316 HydrophobicContact CZ-CG2 4.19Å
141A95.1Very high92Very high48 Ų4850.9 Ų50.940%0.39727%0.269SS..Hα-helixtrans-59.7-44.317300000111.7E137 N138 K144 R145E137-A141 WeakPolarHBondContact O-CB 3.28Å; E137-A141 PolarHBondContact O-N 3.32Å; N138-A141 PolarHBondContact O-N 3.46Å; A141-K144 PolarHBondContact O-N 3.46Å; A141-R145 WeakPolarHBondContact O-CB 3.02Å; A141-R145 PolarHBondContact O-N 3.48Å
142E94.5Very high91.7Very high49 Ų4945.3 Ų45.323%0.22924%0.244CC..Hα-helixtrans-71.4-36.4177-75.3-61.5147.400113.6N138 L139 F140 K144 R145 Y146 V152 M157N138-E142 WeakPolarHBondContact O-CB 3Å; N138-E142 WeakPolarHBondContact O-CG 3.41Å; N138-E142 PolarHBondContact O-N 3.1Å; L139-E142 PolarHBondContact O-N 3.39Å; F140-E142 PolarHBondContact O-N 3.38Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-R145 VanDerWaalsContact CD-NE 3.27Å; E142-R145 PolarHBondContact O-N 3.26Å; E142-R145 IonicContact OE1-CZ 3.29Å; E142-R145 IonicContact OE1-NE 2.99Å; E142-R145 PolarHBondContact OE1-NE 2.9Å; E142-R145 IonicContact OE1-NH2 3.67Å; E142-R145 PolarHBondContact OE1-NH2 2.98Å; E142-R145 IonicContact OE2-CZ 3.11Å; E142-R145 IonicContact OE2-NE 3.03Å; E142-R145 PolarHBondContact OE2-NE 3.27Å; E142-R145 IonicContact OE2-NH2 2.65Å; E142-R145 PolarHBondContact OE2-NH2 3.49Å; E142-Y146 WeakPolarHBondContact O-CB 3.17Å; E142-Y146 PolarHBondContact O-N 2.98Å; E142-V152 WeakPolarHBondContact OE2-CG1 3.45Å; E142-V152 WeakPolarHBondContact OE2-CG2 3.49Å; E142-M157 HydrophobicContact CB-CE 4.47Å; E142-M157 HydrophobicContact CB-CG 3.64Å; E142-M157 HydrophobicContact CB-SD 4.24Å; E142-M157 HydrophobicContact CG-CG 4.05Å
143L94.1Very high91.4Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-62.3-42172.5-72.5171000111.5L139 F140 Y147 L154 M157 V208 F212 M313L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CG 4.14Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.18Å; F140-L143 HydrophobicContact CD1-CD1 4.36Å; F140-L143 PolarHBondContact O-N 3.14Å; L143-Y147 WeakPolarHBondContact O-CB 3.42Å; L143-Y147 PolarHBondContact O-N 3.25Å; L143-L154 HydrophobicContact CD2-CD2 4.06Å; L143-M157 HydrophobicContact CD2-CE 3.51Å; L143-M157 HydrophobicContact CG-CE 3.93Å; L143-V208 HydrophobicContact CD2-CG1 3.74Å; L143-F212 HydrophobicContact CB-CE1 3.83Å; L143-F212 HydrophobicContact CB-CZ 3.9Å; L143-F212 HydrophobicContact CD1-CZ 4.2Å; L143-F212 HydrophobicContact CD2-CD1 4.39Å; L143-F212 HydrophobicContact CD2-CD2 4.47Å; L143-F212 HydrophobicContact CD2-CE1 3.88Å; L143-F212 HydrophobicContact CD2-CE2 3.97Å; L143-F212 HydrophobicContact CD2-CZ 3.62Å; L143-F212 HydrophobicContact CG-CE1 4.39Å; L143-F212 HydrophobicContact CG-CZ 4.12Å; L143-M313 HydrophobicContact CD1-CE 4.31Å
144K94.6Very high91.2Very high43 Ų4347.5 Ų47.519%0.18725%0.254CS..Hα-helixtrans-65.3-42172.1-69.8169.2-1731750111.7L110 E114 F140 A141 E142 Y147 T148L110-K144 HydrophobicContact CB-CG 4.21Å; L110-K144 HydrophobicContact CD1-CG 3.84Å; E114-K144 IonicContact OE1-NZ 3.57Å; E114-K144 IonicContact OE2-NZ 2.87Å; E114-K144 PolarHBondContact OE2-NZ 2.94Å; F140-K144 WeakPolarHBondContact O-CB 3.31Å; F140-K144 VanDerWaalsContact O-CG 3.27Å; F140-K144 WeakPolarHBondContact O-CG 3.07Å; F140-K144 PolarHBondContact O-N 3.37Å; A141-K144 PolarHBondContact O-N 3.46Å; E142-K144 VanDerWaalsContact C-N 3.35Å; K144-Y147 PolarHBondContact O-N 2.8Å; K144-T148 WeakPolarHBondContact O-CB 3.27Å; K144-T148 WeakPolarHBondContact O-CG2 3.35Å; K144-T148 PolarHBondContact O-N 2.94Å; K144-T148 PolarHBondContact O-OG1 3.29Å
145R93.4Very high91Very high126 Ų12646 Ų4648%0.47525%0.247SC..Hα-helixtrans-62.4-40.9176.6-169.3171.175.2134.9-3.6111.9A141 E142 T148 G150 V152A141-R145 WeakPolarHBondContact O-CB 3.02Å; A141-R145 PolarHBondContact O-N 3.48Å; E142-R145 VanDerWaalsContact CD-NE 3.27Å; E142-R145 PolarHBondContact O-N 3.26Å; E142-R145 IonicContact OE1-CZ 3.29Å; E142-R145 IonicContact OE1-NE 2.99Å; E142-R145 PolarHBondContact OE1-NE 2.9Å; E142-R145 IonicContact OE1-NH2 3.67Å; E142-R145 PolarHBondContact OE1-NH2 2.98Å; E142-R145 IonicContact OE2-CZ 3.11Å; E142-R145 IonicContact OE2-NE 3.03Å; E142-R145 PolarHBondContact OE2-NE 3.27Å; E142-R145 IonicContact OE2-NH2 2.65Å; E142-R145 PolarHBondContact OE2-NH2 3.49Å; R145-T148 PolarHBondContact O-OG1 3.33Å; R145-G150 VanDerWaalsContact O-CA 3.31Å; R145-G150 WeakPolarHBondContact O-CA 3.33Å; R145-G150 PolarHBondContact O-N 2.8Å; R145-V152 HydrophobicContact CB-CG2 4.22Å; R145-V152 HydrophobicContact CG-CG2 3.88Å
146Y91.9Very high90.8Very high11 Ų1151.2 Ų51.24%0.04327%0.27CS..Hα-helixtrans-62.4-50.3171.6177.3-89.9000111.3E142 T148 G149 V152 L154 F212 I213 R216 F486E142-Y146 WeakPolarHBondContact O-CB 3.17Å; E142-Y146 PolarHBondContact O-N 2.98Å; Y146-T148 PolarHBondContact O-N 3.16Å; Y146-G149 PolarHBondContact O-N 3.24Å; Y146-V152 HydrophobicContact CD2-CB 4.13Å; Y146-V152 VanDerWaalsContact CD2-O 3.26Å; Y146-V152 WeakPolarHBondContact CD2-O 3.37Å; Y146-L154 HydrophobicContact CD1-CD1 3.88Å; Y146-L154 HydrophobicContact CD1-CD2 4.01Å; Y146-L154 HydrophobicContact CD1-CG 4.12Å; Y146-L154 HydrophobicContact CD2-CD1 4.14Å; Y146-L154 HydrophobicContact CD2-CD2 3.87Å; Y146-L154 HydrophobicContact CD2-CG 3.64Å; Y146-L154 HydrophobicContact CE1-CD1 3.7Å; Y146-L154 HydrophobicContact CE1-CG 4.28Å; Y146-L154 HydrophobicContact CE2-CD1 3.94Å; Y146-L154 HydrophobicContact CE2-CD2 4.48Å; Y146-L154 HydrophobicContact CE2-CG 3.79Å; Y146-L154 HydrophobicContact CG-CD1 4.1Å; Y146-L154 HydrophobicContact CG-CD2 3.58Å; Y146-L154 HydrophobicContact CG-CG 3.81Å; Y146-F212 HydrophobicContact CD1-CB 4.02Å; Y146-F212 HydrophobicContact CD1-CD1 4.07Å; Y146-F212 HydrophobicContact CE1-CB 3.84Å; Y146-I213 WeakPolarHBondContact OH-CG1 3.3Å; Y146-R216 HydrophobicContact CE1-CB 4.17Å; Y146-R216 WeakPolarHBondContact O-CD 3.22Å; Y146-R216 PolarHBondContact O-NH1 2.99Å; Y146-F486 VanDerWaalsContact OH-CE2 3.29Å; Y146-F486 WeakPolarHBondContact OH-CE2 3.35Å
147Y91Very high90.7Very high12 Ų1251.7 Ų51.75%0.04727%0.273CS..Hα-helixtrans-59.7-48.3-176.5172.1-93.8000112.1D103 F106 L107 L143 K144 G149D103-Y147 WeakPolarHBondContact CA-OH 3.44Å; D103-Y147 WeakPolarHBondContact OD1-CE1 3.15Å; D103-Y147 PolarHBondContact OD1-OH 3.2Å; F106-Y147 HydrophobicContact CB-CD2 4.47Å; F106-Y147 HydrophobicContact CB-CE2 3.81Å; F106-Y147 HydrophobicContact CD2-CE2 4.05Å; F106-Y147 HydrophobicContact CG-CE2 4.2Å; L107-Y147 HydrophobicContact CD2-CD1 3.71Å; L107-Y147 HydrophobicContact CD2-CE1 3.85Å; L107-Y147 HydrophobicContact CG-CD1 4.3Å; L107-Y147 HydrophobicContact CG-CE1 3.93Å; L143-Y147 WeakPolarHBondContact O-CB 3.42Å; L143-Y147 PolarHBondContact O-N 3.25Å; K144-Y147 PolarHBondContact O-N 2.8Å; Y147-G149 PolarHBondContact O-N 2.8Å; Y147-G149 VanDerWaalsContact O-N 3.11Å
148T91.1Very high90.7Very high98 Ų9846.8 Ų46.860%0.60125%0.25SS*.THydrogen-bonded Turntrans-69.4-6.5-175.950.40000114.9L107 K144 R145 Y146L107-T148 HydrophobicContact CD2-CG2 4.21Å; K144-T148 WeakPolarHBondContact O-CB 3.27Å; K144-T148 WeakPolarHBondContact O-CG2 3.35Å; K144-T148 PolarHBondContact O-N 2.94Å; K144-T148 PolarHBondContact O-OG1 3.29Å; R145-T148 PolarHBondContact O-OG1 3.33Å; Y146-T148 PolarHBondContact O-N 3.16Å
149G82.2Confident90.5Very high23 Ų2347.4 Ų47.424%0.23725%0.254CS..THydrogen-bonded Turntrans127.3-10.6172.800000115.3Y146 Y147 R216Y146-G149 PolarHBondContact O-N 3.24Å; Y147-G149 PolarHBondContact O-N 2.8Å; Y147-G149 VanDerWaalsContact O-N 3.11Å; G149-R216 PolarHBondContact O-NH2 3.02Å
150G80.5Confident90.4Very high24 Ų2450.4 Ų50.425%0.24727%0.269CS..  trans-55.8147.7-176.900000113.7R145 V152 R216R145-G150 VanDerWaalsContact O-CA 3.31Å; R145-G150 WeakPolarHBondContact O-CA 3.33Å; R145-G150 PolarHBondContact O-N 2.8Å; G150-V152 VanDerWaalsContact C-N 3.25Å; G150-V152 PolarHBondContact O-N 3.35Å; G150-R216 PolarHBondContact O-NH1 2.95Å
151N78.9Confident90.5Very high142 Ų14250.7 Ų50.776%0.75927%0.271SS*.  trans-75.879.6171.1-17520.3000109.4
152V83.8Confident90.5Very high13 Ų1349.1 Ų49.18%0.07925%0.254CS..  trans-119.7133.1-178.5-176.40000108.8E142 R145 Y146 G150 M157E142-V152 WeakPolarHBondContact OE2-CG1 3.45Å; E142-V152 WeakPolarHBondContact OE2-CG2 3.49Å; R145-V152 HydrophobicContact CB-CG2 4.22Å; R145-V152 HydrophobicContact CG-CG2 3.88Å; Y146-V152 HydrophobicContact CD2-CB 4.13Å; Y146-V152 VanDerWaalsContact CD2-O 3.26Å; Y146-V152 WeakPolarHBondContact CD2-O 3.37Å; G150-V152 VanDerWaalsContact C-N 3.25Å; G150-V152 PolarHBondContact O-N 3.35Å; V152-M157 HydrophobicContact CG1-CB 4.38Å
153N88.4Confident90.4Very high79 Ų7949.6 Ų49.642%0.42226%0.263SS..  trans-92.1103.2174.3-176.97.6000110E155 E156 M157N153-E155 PolarHBondContact O-N 3.46Å; N153-E155 WeakPolarHBondContact OD1-CB 3.37Å; N153-E155 PolarHBondContact OD1-N 3.01Å; N153-E156 HydrophobicContact CB-CB 3.92Å; N153-E156 WeakPolarHBondContact CB-OE2 3.45Å; N153-E156 WeakPolarHBondContact ND2-CB 3.33Å; N153-E156 PolarHBondContact ND2-OE2 3.26Å; N153-E156 PolarHBondContact O-N 2.87Å; N153-E156 VanDerWaalsContact O-N 3.12Å; N153-M157 WeakPolarHBondContact O-CB 3.48Å; N153-M157 PolarHBondContact O-N 3.26Å
154L89.6Confident90.3Very high5 Ų554.7 Ų54.73%0.02628%0.283CS..Hα-helixtrans-58.1-34.5-179.8-68.4179000112.8L143 Y146 E156 M157 L158 F212L143-L154 HydrophobicContact CD2-CD2 4.06Å; Y146-L154 HydrophobicContact CD1-CD1 3.88Å; Y146-L154 HydrophobicContact CD1-CD2 4.01Å; Y146-L154 HydrophobicContact CD1-CG 4.12Å; Y146-L154 HydrophobicContact CD2-CD1 4.14Å; Y146-L154 HydrophobicContact CD2-CD2 3.87Å; Y146-L154 HydrophobicContact CD2-CG 3.64Å; Y146-L154 HydrophobicContact CE1-CD1 3.7Å; Y146-L154 HydrophobicContact CE1-CG 4.28Å; Y146-L154 HydrophobicContact CE2-CD1 3.94Å; Y146-L154 HydrophobicContact CE2-CD2 4.48Å; Y146-L154 HydrophobicContact CE2-CG 3.79Å; Y146-L154 HydrophobicContact CG-CD1 4.1Å; Y146-L154 HydrophobicContact CG-CD2 3.58Å; Y146-L154 HydrophobicContact CG-CG 3.81Å; L154-E156 VanDerWaalsContact C-N 3.27Å; L154-E156 PolarHBondContact O-N 3.27Å; L154-M157 HydrophobicContact CD2-CE 3.6Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 WeakPolarHBondContact O-CD1 3.45Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.26Å; L154-L158 PolarHBondContact O-N 2.85Å; L154-L158 VanDerWaalsContact O-N 3.14Å; L154-F212 HydrophobicContact CD1-CB 3.66Å; L154-F212 HydrophobicContact CD1-CG 4.42Å
155E89.9Confident90.3Very high84 Ų8453 Ų5339%0.39328%0.276SS..Hα-helixtrans-62.7-35.7178.7-75.8-92124.700112.4N153 N159 K205N153-E155 PolarHBondContact O-N 3.46Å; N153-E155 WeakPolarHBondContact OD1-CB 3.37Å; N153-E155 PolarHBondContact OD1-N 3.01Å; E155-N159 PolarHBondContact O-ND2 2.81Å; E155-N159 PolarHBondContact O-OD1 3.38Å; E155-K205 WeakPolarHBondContact O-CE 3.48Å; E155-K205 PolarHBondContact O-NZ 3.34Å; E155-K205 WeakPolarHBondContact OE1-CE 3.33Å; E155-K205 IonicContact OE1-NZ 2.67Å; E155-K205 WeakPolarHBondContact OE2-CE 3.37Å; E155-K205 IonicContact OE2-NZ 3.48Å; E155-K205 PolarHBondContact OE2-NZ 3.34Å
156E91.4Very high90.2Very high126 Ų12647.3 Ų47.359%0.58926%0.255SS*.Hα-helixtrans-89.4-45-173.5179.2179.2172.500110.9N153 L154 L158 N159 D160N153-E156 HydrophobicContact CB-CB 3.92Å; N153-E156 WeakPolarHBondContact CB-OE2 3.45Å; N153-E156 WeakPolarHBondContact ND2-CB 3.33Å; N153-E156 PolarHBondContact ND2-OE2 3.26Å; N153-E156 PolarHBondContact O-N 2.87Å; N153-E156 VanDerWaalsContact O-N 3.12Å; L154-E156 VanDerWaalsContact C-N 3.27Å; L154-E156 PolarHBondContact O-N 3.27Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 2.99Å; E156-N159 WeakPolarHBondContact O-CB 3.46Å; E156-N159 PolarHBondContact O-N 3.09Å; E156-N159 VanDerWaalsContact O-N 3.09Å; E156-D160 PolarHBondContact O-N 2.75Å
157M94.1Very high90.2Very high20 Ų2050.4 Ų50.410%0.09927%0.269CS..Hα-helixtrans-57.8-42.4174173.4-81.9-70.800112.2L139 E142 L143 V152 N153 L154 D160 F161L139-M157 HydrophobicContact CD1-CE 4.3Å; L139-M157 HydrophobicContact CD1-SD 3.51Å; L139-M157 VanDerWaalsContact CD1-SD 3.51Å; E142-M157 HydrophobicContact CB-CE 4.47Å; E142-M157 HydrophobicContact CB-CG 3.64Å; E142-M157 HydrophobicContact CB-SD 4.24Å; E142-M157 HydrophobicContact CG-CG 4.05Å; L143-M157 HydrophobicContact CD2-CE 3.51Å; L143-M157 HydrophobicContact CG-CE 3.93Å; V152-M157 HydrophobicContact CG1-CB 4.38Å; N153-M157 WeakPolarHBondContact O-CB 3.48Å; N153-M157 PolarHBondContact O-N 3.26Å; L154-M157 HydrophobicContact CD2-CE 3.6Å; M157-D160 PolarHBondContact O-N 2.82Å; M157-F161 PolarHBondContact O-N 2.67Å
158L93.9Very high90.2Very high3 Ų355.6 Ų55.62%0.01629%0.289CS..Hα-helixtrans-69.4-35176.5-67.9171.5000111.7L139 L154 E156 W162 K205 V208L139-L158 HydrophobicContact CD1-CD2 3.75Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 WeakPolarHBondContact O-CD1 3.45Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.26Å; L154-L158 PolarHBondContact O-N 2.85Å; L154-L158 VanDerWaalsContact O-N 3.14Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 2.99Å; L158-W162 PolarHBondContact O-N 2.73Å; L158-W162 VanDerWaalsContact O-N 3.16Å; L158-K205 HydrophobicContact CD1-CB 4.37Å; L158-K205 HydrophobicContact CD1-CG 4.38Å; L158-V208 HydrophobicContact CD1-CB 3.92Å; L158-V208 HydrophobicContact CD1-CG1 3.82Å
159N92.4Very high90.1Very high82 Ų8251.5 Ų51.544%0.43926%0.263SS..Hα-helixtrans-64.2-41173.1-75.42.2000111.6E155 E156 W162 S163 K205E155-N159 PolarHBondContact O-ND2 2.81Å; E155-N159 PolarHBondContact O-OD1 3.38Å; E156-N159 WeakPolarHBondContact O-CB 3.46Å; E156-N159 PolarHBondContact O-N 3.09Å; E156-N159 VanDerWaalsContact O-N 3.09Å; N159-W162 PolarHBondContact O-N 2.62Å; N159-S163 WeakPolarHBondContact O-CB 3.36Å; N159-S163 PolarHBondContact O-N 3.06Å; N159-S163 PolarHBondContact O-OG 2.91Å; N159-K205 WeakPolarHBondContact OD1-CD 3.05Å; N159-K205 PolarHBondContact OD1-NZ 3.37Å
160D93.4Very high90.5Very high67 Ų6750.5 Ų50.536%0.35825%0.252SS..Hα-helixtrans-64.5-47.2177-178.928.8000111.3E156 M157 W162 S163 R164E156-D160 PolarHBondContact O-N 2.75Å; M157-D160 PolarHBondContact O-N 2.82Å; D160-W162 PolarHBondContact O-N 2.95Å; D160-S163 PolarHBondContact O-N 3.15Å; D160-S163 VanDerWaalsContact O-N 3.1Å; D160-R164 VanDerWaalsContact CG-NE 3.29Å; D160-R164 WeakPolarHBondContact O-CG 3.22Å; D160-R164 PolarHBondContact O-N 3.01Å; D160-R164 IonicContact OD1-CZ 2.69Å; D160-R164 IonicContact OD1-NE 3.43Å; D160-R164 PolarHBondContact OD1-NE 3.06Å; D160-R164 IonicContact OD1-NH2 3.82Å; D160-R164 PolarHBondContact OD1-NH2 2.73Å; D160-R164 IonicContact OD2-CZ 3.53Å; D160-R164 VanDerWaalsContact OD2-CZ 3.29Å; D160-R164 IonicContact OD2-NE 3.29Å; D160-R164 PolarHBondContact OD2-NE 2.89Å; D160-R164 VanDerWaalsContact OD2-NE 3.15Å; D160-R164 IonicContact OD2-NH2 2.89Å; D160-R164 PolarHBondContact OD2-NH2 3.17Å
161F95.8Very high90.9Very high9 Ų952.3 Ų52.34%0.03926%0.259CS..Hα-helixtrans-52-50.7172.9166.9-101000112.4V135 F136 L139 M157 S163 R164 L165 I320V135-F161 HydrophobicContact CG1-CD2 3.97Å; V135-F161 HydrophobicContact CG1-CE2 4.06Å; F136-F161 AromaticContact CD1-CE2 3.97Å; F136-F161 HydrophobicContact CD1-CE2 3.97Å; F136-F161 HydrophobicContact CD1-CZ 4.19Å; F136-F161 HydrophobicContact CE1-CE2 4.21Å; F136-F161 HydrophobicContact CE1-CZ 4.16Å; L139-F161 HydrophobicContact CB-CD2 3.86Å; L139-F161 HydrophobicContact CB-CE2 4.3Å; L139-F161 HydrophobicContact CB-CG 4.43Å; L139-F161 HydrophobicContact CD1-CB 4.44Å; L139-F161 HydrophobicContact CD1-CG 4.34Å; L139-F161 HydrophobicContact CD2-CD1 4.18Å; L139-F161 HydrophobicContact CD2-CD2 3.79Å; L139-F161 HydrophobicContact CD2-CE1 4.1Å; L139-F161 HydrophobicContact CD2-CE2 3.69Å; L139-F161 HydrophobicContact CD2-CG 4.03Å; L139-F161 HydrophobicContact CD2-CZ 3.86Å; L139-F161 HydrophobicContact CG-CD2 4.28Å; L139-F161 HydrophobicContact CG-CG 4.5Å; M157-F161 PolarHBondContact O-N 2.67Å; F161-S163 VanDerWaalsContact C-N 3.33Å; F161-S163 PolarHBondContact O-N 3.32Å; F161-R164 PolarHBondContact O-N 3.34Å; F161-L165 HydrophobicContact CE1-CD2 4.31Å; F161-L165 HydrophobicContact CZ-CD2 4.07Å; F161-L165 WeakPolarHBondContact O-CB 3.5Å; F161-L165 PolarHBondContact O-N 3.34Å; F161-I320 HydrophobicContact CE1-CD1 4.35Å; F161-I320 HydrophobicContact CZ-CD1 4.11Å; F161-I320 HydrophobicContact CZ-CG2 4.13Å
162W94.6Very high91.4Very high15 Ų1548.8 Ų48.86%0.05724%0.239CC..Hα-helixtrans-66.4-33.8179.2-70118.4000112.7L158 N159 D160 L165 L166 F197 V200 P201 L204 I320 A323L158-W162 PolarHBondContact O-N 2.73Å; L158-W162 VanDerWaalsContact O-N 3.16Å; N159-W162 PolarHBondContact O-N 2.62Å; D160-W162 PolarHBondContact O-N 2.95Å; W162-L165 HydrophobicContact CE3-CD2 3.85Å; W162-L165 HydrophobicContact CZ3-CD2 3.74Å; W162-L166 WeakPolarHBondContact O-CB 3.34Å; W162-L166 PolarHBondContact O-N 3.12Å; W162-F197 HydrophobicContact CB-CE2 4.49Å; W162-F197 HydrophobicContact CD2-CD2 4.48Å; W162-F197 AromaticContact CE3-CD2 3.69Å; W162-F197 HydrophobicContact CE3-CD2 3.69Å; W162-F197 AromaticContact CE3-CE2 3.86Å; W162-F197 HydrophobicContact CE3-CE2 3.86Å; W162-F197 HydrophobicContact CE3-CG 4.07Å; W162-F197 HydrophobicContact CE3-CZ 4.38Å; W162-F197 HydrophobicContact CZ3-CD1 4.44Å; W162-F197 HydrophobicContact CZ3-CD2 4.26Å; W162-F197 HydrophobicContact CZ3-CG 4.17Å; W162-F197 WeakPolarHBondContact O-CE2 3.26Å; W162-V200 HydrophobicContact CH2-CG1 4.25Å; W162-V200 HydrophobicContact CZ2-CG1 4.46Å; W162-P201 HydrophobicContact CD2-CB 3.86Å; W162-P201 HydrophobicContact CD2-CG 3.81Å; W162-P201 HydrophobicContact CE3-CG 4.04Å; W162-P201 HydrophobicContact CG-CB 3.88Å; W162-P201 HydrophobicContact CG-CG 4.2Å; W162-P201 HydrophobicContact CH2-CG 4.47Å; W162-P201 HydrophobicContact CZ2-CB 4.29Å; W162-P201 HydrophobicContact CZ2-CG 4.25Å; W162-P201 HydrophobicContact CZ3-CG 4.38Å; W162-L204 HydrophobicContact CZ2-CB 4.48Å; W162-L204 HydrophobicContact CZ2-CD2 3.8Å; W162-I320 HydrophobicContact CH2-CG1 4.2Å; W162-A323 HydrophobicContact CH2-CB 3.57Å; W162-A323 HydrophobicContact CZ3-CB 3.51Å
163S92.6Very high91.5Very high60 Ų6050.9 Ų50.942%0.4225%0.25SC..Hα-helixtrans-66.6-50.4176.4-56.80000111.2N159 D160 F161 L165 L166 E167N159-S163 WeakPolarHBondContact O-CB 3.36Å; N159-S163 PolarHBondContact O-N 3.06Å; N159-S163 PolarHBondContact O-OG 2.91Å; D160-S163 PolarHBondContact O-N 3.15Å; D160-S163 VanDerWaalsContact O-N 3.1Å; F161-S163 VanDerWaalsContact C-N 3.33Å; F161-S163 PolarHBondContact O-N 3.32Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 2.84Å; S163-L166 WeakPolarHBondContact O-CB 3.34Å; S163-L166 PolarHBondContact O-N 2.75Å; S163-L166 VanDerWaalsContact O-N 3.13Å; S163-E167 WeakPolarHBondContact O-CG 3.41Å; S163-E167 PolarHBondContact O-N 2.65Å; S163-E167 VanDerWaalsContact O-N 3.07Å
164R93.3Very high91.5Very high107 Ų10747.5 Ų47.540%0.40423%0.232SC..Hα-helixtrans-60.7-40.1175.6-64.3-179.4-165.6-147.711.5112V135 D160 F161 L166 E167 R168V135-R164 HydrophobicContact CG1-CB 4.14Å; D160-R164 VanDerWaalsContact CG-NE 3.29Å; D160-R164 WeakPolarHBondContact O-CG 3.22Å; D160-R164 PolarHBondContact O-N 3.01Å; D160-R164 IonicContact OD1-CZ 2.69Å; D160-R164 IonicContact OD1-NE 3.43Å; D160-R164 PolarHBondContact OD1-NE 3.06Å; D160-R164 IonicContact OD1-NH2 3.82Å; D160-R164 PolarHBondContact OD1-NH2 2.73Å; D160-R164 IonicContact OD2-CZ 3.53Å; D160-R164 VanDerWaalsContact OD2-CZ 3.29Å; D160-R164 IonicContact OD2-NE 3.29Å; D160-R164 PolarHBondContact OD2-NE 2.89Å; D160-R164 VanDerWaalsContact OD2-NE 3.15Å; D160-R164 IonicContact OD2-NH2 2.89Å; D160-R164 PolarHBondContact OD2-NH2 3.17Å; F161-R164 PolarHBondContact O-N 3.34Å; R164-L166 VanDerWaalsContact C-N 3.33Å; R164-L166 PolarHBondContact O-N 3.35Å; R164-E167 PolarHBondContact O-N 3.22Å; R164-R168 WeakPolarHBondContact O-CG 3.49Å; R164-R168 PolarHBondContact O-N 3.44Å
165L93.6Very high91.3Very high8 Ų851.6 Ų51.64%0.04226%0.261CS..Hα-helixtrans-62.9-40176.2-174.262.7000111.6F136 F161 W162 S163 M169 F197 I324F136-L165 HydrophobicContact CE1-CD1 4.44Å; F136-L165 HydrophobicContact CZ-CD1 3.79Å; F161-L165 HydrophobicContact CE1-CD2 4.31Å; F161-L165 HydrophobicContact CZ-CD2 4.07Å; F161-L165 WeakPolarHBondContact O-CB 3.5Å; F161-L165 PolarHBondContact O-N 3.34Å; W162-L165 HydrophobicContact CE3-CD2 3.85Å; W162-L165 HydrophobicContact CZ3-CD2 3.74Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 2.84Å; L165-M169 HydrophobicContact CD1-CG 4.17Å; L165-M169 HydrophobicContact CD1-SD 4.38Å; L165-M169 HydrophobicContact CG-CG 4.42Å; L165-M169 HydrophobicContact CG-SD 4.33Å; L165-M169 VanDerWaalsContact O-CB 3.29Å; L165-M169 WeakPolarHBondContact O-CB 3.25Å; L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 3.11Å; L165-F197 HydrophobicContact CB-CZ 4.13Å; L165-F197 HydrophobicContact CD2-CE1 4.11Å; L165-F197 HydrophobicContact CD2-CZ 4.06Å; L165-F197 HydrophobicContact CG-CE1 4.19Å; L165-F197 HydrophobicContact CG-CZ 3.89Å; L165-I324 HydrophobicContact CD2-CG1 4.32Å
166L92.1Very high91.1Very high6 Ų653.1 Ų53.13%0.03127%0.268CS..Hα-helixtrans-61.3-46.7176.2176.759.5000111.3W162 S163 R164 M169 F170 I187 T191 P196 F197 M327W162-L166 WeakPolarHBondContact O-CB 3.34Å; W162-L166 PolarHBondContact O-N 3.12Å; S163-L166 WeakPolarHBondContact O-CB 3.34Å; S163-L166 PolarHBondContact O-N 2.75Å; S163-L166 VanDerWaalsContact O-N 3.13Å; R164-L166 VanDerWaalsContact C-N 3.33Å; R164-L166 PolarHBondContact O-N 3.35Å; L166-M169 PolarHBondContact O-N 2.92Å; L166-F170 WeakPolarHBondContact O-CB 3.44Å; L166-F170 PolarHBondContact O-N 2.87Å; L166-I187 HydrophobicContact CD2-CG2 3.97Å; L166-I187 HydrophobicContact CG-CG2 4.25Å; L166-T191 HydrophobicContact CD2-CG2 3.85Å; L166-T191 WeakPolarHBondContact CD2-OG1 3.4Å; L166-P196 HydrophobicContact CD1-CB 3.93Å; L166-P196 HydrophobicContact CD1-CG 3.77Å; L166-F197 HydrophobicContact CB-CE2 3.94Å; L166-F197 HydrophobicContact CB-CZ 3.99Å; L166-M327 HydrophobicContact CD1-CE 3.58Å; L166-M327 HydrophobicContact CD1-SD 3.84Å
167E91.1Very high91Very high75 Ų7549 Ų4935%0.3525%0.247SC..Hα-helixtrans-60.3-49.9178-66174.2177.800112.3S163 R164 T171 L184S163-E167 WeakPolarHBondContact O-CG 3.41Å; S163-E167 PolarHBondContact O-N 2.65Å; S163-E167 VanDerWaalsContact O-N 3.07Å; R164-E167 PolarHBondContact O-N 3.22Å; E167-T171 WeakPolarHBondContact O-CB 3.49Å; E167-T171 PolarHBondContact O-N 3.5Å; E167-T171 PolarHBondContact O-OG1 3.28Å; E167-L184 HydrophobicContact CB-CD1 4.11Å; E167-L184 HydrophobicContact CB-CD2 4.1Å; E167-L184 HydrophobicContact CG-CB 4.18Å; E167-L184 HydrophobicContact CG-CD1 4.06Å; E167-L184 HydrophobicContact CG-CD2 4.09Å; E167-L184 HydrophobicContact CG-CG 4.33Å
168R91.6Very high90.7Very high122 Ų12251.7 Ų51.746%0.4627%0.265SS..Hα-helixtrans-62.3-47.2178.4-63.3-51.2-170.7-174.81.5111.2N132 V135 R164 T171 L172N132-R168 VanDerWaalsContact OD1-CD 3.28Å; N132-R168 WeakPolarHBondContact OD1-CD 3.47Å; N132-R168 WeakPolarHBondContact OD1-CG 3.08Å; V135-R168 HydrophobicContact CG2-CG 4.27Å; R164-R168 WeakPolarHBondContact O-CG 3.49Å; R164-R168 PolarHBondContact O-N 3.44Å; R168-T171 PolarHBondContact O-N 3.3Å; R168-L172 VanDerWaalsContact O-CG 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.43Å
169M89.9Confident90.5Very high12 Ų1253 Ų536%0.05927%0.271CS..Hα-helixtrans-66.1-42.2179.9-78.1-162.762.600113.1L165 L166 T171 L172 L173 F197 I324 M327 Q328L165-M169 HydrophobicContact CD1-CG 4.17Å; L165-M169 HydrophobicContact CD1-SD 4.38Å; L165-M169 HydrophobicContact CG-CG 4.42Å; L165-M169 HydrophobicContact CG-SD 4.33Å; L165-M169 VanDerWaalsContact O-CB 3.29Å; L165-M169 WeakPolarHBondContact O-CB 3.25Å; L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 3.11Å; L166-M169 PolarHBondContact O-N 2.92Å; M169-T171 VanDerWaalsContact C-N 3.3Å; M169-T171 PolarHBondContact O-N 2.95Å; M169-L172 PolarHBondContact O-N 3.24Å; M169-L173 HydrophobicContact CE-CD1 4.26Å; M169-L173 WeakPolarHBondContact O-CB 3.46Å; M169-L173 WeakPolarHBondContact O-CG 3.09Å; M169-L173 PolarHBondContact O-N 3.42Å; M169-F197 HydrophobicContact SD-CE1 3.84Å; M169-I324 HydrophobicContact CE-CB 4.34Å; M169-I324 HydrophobicContact CE-CG2 3.79Å; M169-I324 WeakPolarHBondContact CE-O 3.04Å; M169-I324 HydrophobicContact SD-CB 4.1Å; M169-I324 HydrophobicContact SD-CG1 3.76Å; M169-I324 HydrophobicContact SD-CG2 3.96Å; M169-M327 HydrophobicContact CB-CE 3.67Å; M169-M327 HydrophobicContact CB-SD 3.54Å; M169-M327 VanDerWaalsContact CB-SD 3.54Å; M169-M327 HydrophobicContact CE-CB 3.78Å; M169-M327 HydrophobicContact CE-CG 3.9Å; M169-M327 HydrophobicContact CE-SD 3.89Å; M169-M327 HydrophobicContact CG-SD 4.31Å; M169-M327 HydrophobicContact SD-CB 4.42Å; M169-M327 HydrophobicContact SD-SD 3.91Å; M169-Q328 HydrophobicContact CE-CG 3.89Å
170F89.7Confident90.3Very high2 Ų252.3 Ų52.31%0.00927%0.27CS..Hα-helixtrans-62.8-41.5178.2-169.1-88.2000110.7L166 N174 I179 Y183 I187 M327 V334 V338 F339L166-F170 WeakPolarHBondContact O-CB 3.44Å; L166-F170 PolarHBondContact O-N 2.87Å; F170-N174 HydrophobicContact CD1-CB 4.44Å; F170-N174 HydrophobicContact CE1-CB 4.19Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.3Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.32Å; F170-N174 VanDerWaalsContact O-CB 3.25Å; F170-N174 WeakPolarHBondContact O-CB 3.34Å; F170-N174 PolarHBondContact O-N 2.95Å; F170-N174 PolarHBondContact O-ND2 2.94Å; F170-I179 HydrophobicContact CD1-CD1 4.48Å; F170-I179 HydrophobicContact CD1-CG1 4.43Å; F170-I179 HydrophobicContact CE1-CD1 3.96Å; F170-I179 HydrophobicContact CE1-CG1 4.4Å; F170-Y183 HydrophobicContact CE1-CE1 4.27Å; F170-I187 HydrophobicContact CD1-CD1 3.5Å; F170-I187 VanDerWaalsContact CD1-CD1 3.5Å; F170-I187 HydrophobicContact CD2-CD1 4.24Å; F170-I187 HydrophobicContact CE1-CD1 3.57Å; F170-I187 HydrophobicContact CE2-CD1 4.3Å; F170-I187 HydrophobicContact CG-CD1 3.86Å; F170-I187 HydrophobicContact CZ-CD1 3.98Å; F170-M327 HydrophobicContact CB-CE 4Å; F170-M327 HydrophobicContact CD2-CE 4.44Å; F170-V334 HydrophobicContact CD2-CG1 4.49Å; F170-V334 HydrophobicContact CE2-CG1 4.44Å; F170-V338 HydrophobicContact CE1-CG1 4.47Å; F170-V338 HydrophobicContact CE2-CB 4.17Å; F170-V338 HydrophobicContact CE2-CG1 4.09Å; F170-V338 HydrophobicContact CE2-CG2 4.12Å; F170-V338 HydrophobicContact CZ-CB 4.17Å; F170-V338 HydrophobicContact CZ-CG1 3.68Å; F170-F339 AromaticContact CZ-CE1 3.96Å; F170-F339 HydrophobicContact CZ-CE1 3.96Å
171T89.4Confident90.1Very high62 Ų6257.2 Ų57.238%0.3829%0.291SS..Hα-helixtrans-64.5-42.5176.4-53.70000112.1E167 R168 M169 N174 S175E167-T171 WeakPolarHBondContact O-CB 3.49Å; E167-T171 PolarHBondContact O-N 3.5Å; E167-T171 PolarHBondContact O-OG1 3.28Å; R168-T171 PolarHBondContact O-N 3.3Å; M169-T171 VanDerWaalsContact C-N 3.3Å; M169-T171 PolarHBondContact O-N 2.95Å; T171-N174 CarbonylContact O-C 3.54Å; T171-S175 WeakPolarHBondContact O-CA 3.42Å; T171-S175 PolarHBondContact O-N 3.38Å; T171-S175 VanDerWaalsContact O-N 3.08Å
172L88.5Confident89.7Confident67 Ų6762.8 Ų62.835%0.35132%0.321SS..Hα-helixtrans-63.5-48176.4-73.7167.8000112R168 M169 N174 S175R168-L172 VanDerWaalsContact O-CG 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.43Å; M169-L172 PolarHBondContact O-N 3.24Å; L172-N174 VanDerWaalsContact C-N 3.33Å; L172-N174 PolarHBondContact O-N 3.43Å; L172-S175 WeakPolarHBondContact O-CB 3.15Å; L172-S175 PolarHBondContact O-OG 3.02Å; L172-S175 VanDerWaalsContact O-OG 3.05Å
173L87Confident89.5Confident58 Ų5863.1 Ų63.130%0.30432%0.323SS..Hα-helixtrans-68.7-29.6-179.1-71.4166.4000113M169 M327 Q328M169-L173 HydrophobicContact CE-CD1 4.26Å; M169-L173 WeakPolarHBondContact O-CB 3.46Å; M169-L173 WeakPolarHBondContact O-CG 3.09Å; M169-L173 PolarHBondContact O-N 3.42Å; L173-M327 HydrophobicContact CD1-CE 4.21Å; L173-M327 HydrophobicContact CD1-CG 4.37Å; L173-Q328 HydrophobicContact CD2-CG 4.39Å
174N87Confident89.4Confident8 Ų861.6 Ų61.64%0.04331%0.31CS..THydrogen-bonded Turntrans-109.324.5-178.3-63.4-83.9000113.2F170 T171 L172 Q176 Y177 S335F170-N174 HydrophobicContact CD1-CB 4.44Å; F170-N174 HydrophobicContact CE1-CB 4.19Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.3Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.32Å; F170-N174 VanDerWaalsContact O-CB 3.25Å; F170-N174 WeakPolarHBondContact O-CB 3.34Å; F170-N174 PolarHBondContact O-N 2.95Å; F170-N174 PolarHBondContact O-ND2 2.94Å; T171-N174 CarbonylContact O-C 3.54Å; L172-N174 VanDerWaalsContact C-N 3.33Å; L172-N174 PolarHBondContact O-N 3.43Å; N174-Q176 PolarHBondContact O-N 3.17Å; N174-Y177 HydrophobicContact CB-CD2 4.2Å; N174-Y177 WeakPolarHBondContact O-CB 3.35Å; N174-Y177 PolarHBondContact O-N 3.08Å; N174-S335 VanDerWaalsContact CG-OG 3.28Å; N174-S335 PolarHBondContact ND2-OG 2.91Å; N174-S335 PolarHBondContact OD1-OG 3.13Å
175S86.8Confident89.2Confident90 Ų9062 Ų6263%0.62932%0.316SS*.THydrogen-bonded Turntrans-57-10.2-17548.10000116.7T171 L172 Y177T171-S175 WeakPolarHBondContact O-CA 3.42Å; T171-S175 PolarHBondContact O-N 3.38Å; T171-S175 VanDerWaalsContact O-N 3.08Å; L172-S175 WeakPolarHBondContact O-CB 3.15Å; L172-S175 PolarHBondContact O-OG 3.02Å; L172-S175 VanDerWaalsContact O-OG 3.05Å; S175-Y177 VanDerWaalsContact C-N 3.25Å
176Q85.1Confident89.1Confident117 Ų11762.9 Ų62.955%0.54732%0.323SS..THydrogen-bonded Turntrans-75.3-7.3167.667.6-166.1-20.400114.3N174 A348N174-Q176 PolarHBondContact O-N 3.17Å; Q176-A348 PolarHBondContact O-N 3Å
177Y88.1Confident88.9Confident38 Ų3863 Ų6315%0.14932%0.323CS..EExtended strand (participates in β ladder)trans-119.6149.5180-62.5-72.4000111.4N174 S175 I179 F339 P345 K346 L347N174-Y177 HydrophobicContact CB-CD2 4.2Å; N174-Y177 WeakPolarHBondContact O-CB 3.35Å; N174-Y177 PolarHBondContact O-N 3.08Å; S175-Y177 VanDerWaalsContact C-N 3.25Å; Y177-I179 PolarHBondContact O-N 3.12Å; Y177-F339 AromaticContact CD2-CZ 3.94Å; Y177-F339 HydrophobicContact CD2-CZ 3.94Å; Y177-F339 AromaticContact CE2-CE2 3.86Å; Y177-F339 HydrophobicContact CE2-CE2 3.86Å; Y177-F339 AromaticContact CE2-CZ 3.65Å; Y177-F339 HydrophobicContact CE2-CZ 3.65Å; Y177-P345 HydrophobicContact CD1-CG 3.93Å; Y177-P345 WeakPolarHBondContact CD1-O 3.18Å; Y177-P345 HydrophobicContact CD2-CG 4.26Å; Y177-P345 HydrophobicContact CG-CB 4.47Å; Y177-P345 HydrophobicContact CG-CG 3.77Å; Y177-K346 CarbonylContact C-O 3.58Å; Y177-K346 VanDerWaalsContact CA-O 3.29Å; Y177-K346 WeakPolarHBondContact CA-O 3.21Å; Y177-L347 HydrophobicContact CD1-CD2 3.84Å; Y177-L347 HydrophobicContact CD1-CG 4.19Å; Y177-L347 HydrophobicContact CE1-CD2 3.45Å; Y177-L347 VanDerWaalsContact CE1-CD2 3.45Å; Y177-L347 HydrophobicContact CE1-CG 3.9Å
178V88.3Confident88.7Confident78 Ų7862.6 Ų62.647%0.47333%0.329SS..EExtended strand (participates in β ladder)trans-82.9105.5169.1-173.50000108.3T180 K346 A348V178-T180 HydrophobicContact CG1-CG2 4.49Å; V178-K346 PolarHBondContact N-O 3.24Å; V178-A348 HydrophobicContact CG2-CB 4.19Å
179I89.9Confident88.4Confident29 Ų2963.3 Ų63.315%0.14934%0.335CS..  trans-94.1123173.6-50.7-53.7000108.1F170 Y177 Y183 L184 P345F170-I179 HydrophobicContact CD1-CD1 4.48Å; F170-I179 HydrophobicContact CD1-CG1 4.43Å; F170-I179 HydrophobicContact CE1-CD1 3.96Å; F170-I179 HydrophobicContact CE1-CG1 4.4Å; Y177-I179 PolarHBondContact O-N 3.12Å; I179-Y183 HydrophobicContact CD1-CD1 4.31Å; I179-Y183 HydrophobicContact CD1-CE1 4.43Å; I179-Y183 HydrophobicContact CG2-CD1 4Å; I179-L184 HydrophobicContact CG2-CD2 3.55Å; I179-L184 HydrophobicContact CG2-CG 3.99Å; I179-P345 HydrophobicContact CD1-CB 3.9Å; I179-P345 HydrophobicContact CD1-CG 3.96Å
180T89.5Confident88.2Confident69 Ų6966.1 Ų66.142%0.42335%0.346SS..  trans-101.7164.4178.455.60000111.4V178 D182 Y183 L184V178-T180 HydrophobicContact CG1-CG2 4.49Å; T180-D182 PolarHBondContact O-N 3.21Å; T180-Y183 WeakPolarHBondContact O-CA 3.28Å; T180-Y183 VanDerWaalsContact O-CB 3.26Å; T180-Y183 WeakPolarHBondContact O-CB 3.33Å; T180-Y183 PolarHBondContact O-N 3.32Å; T180-L184 PolarHBondContact O-N 3.1Å
181E87.9Confident88Confident169 Ų16968 Ų6879%0.7936%0.358SS*.Hα-helixtrans-57.4-45.2178.2-65.4176.6171.500111.7Y183 L184 E185E181-Y183 PolarHBondContact O-N 3.09Å; E181-Y183 VanDerWaalsContact O-N 3.08Å; E181-L184 WeakPolarHBondContact O-CB 3.32Å; E181-L184 PolarHBondContact O-N 3.12Å; E181-E185 PolarHBondContact O-N 3.27Å
182D88.4Confident87.7Confident127 Ų12771.8 Ų71.868%0.67938%0.375SS*.Hα-helixtrans-52.2-33.1171.7-42.6-20.5000113.2T180 C186T180-D182 PolarHBondContact O-N 3.21Å; D182-C186 PolarHBondContact O-N 3.39Å; D182-C186 VanDerWaalsContact O-N 3.08Å
183Y89.9Confident87.6Confident22 Ų2274.4 Ų74.49%0.08639%0.386CS..Hα-helixtrans-80-34.7-179.3-158.7-85.7000111.7F170 I179 T180 E181 C186 I187 V338 F339 C342 G343 P345F170-Y183 HydrophobicContact CE1-CE1 4.27Å; I179-Y183 HydrophobicContact CD1-CD1 4.31Å; I179-Y183 HydrophobicContact CD1-CE1 4.43Å; I179-Y183 HydrophobicContact CG2-CD1 4Å; T180-Y183 WeakPolarHBondContact O-CA 3.28Å; T180-Y183 VanDerWaalsContact O-CB 3.26Å; T180-Y183 WeakPolarHBondContact O-CB 3.33Å; T180-Y183 PolarHBondContact O-N 3.32Å; E181-Y183 PolarHBondContact O-N 3.09Å; E181-Y183 VanDerWaalsContact O-N 3.08Å; Y183-C186 WeakPolarHBondContact O-CB 3.18Å; Y183-C186 PolarHBondContact O-N 2.64Å; Y183-I187 HydrophobicContact CD1-CD1 3.75Å; Y183-I187 HydrophobicContact CD1-CG1 4.22Å; Y183-I187 HydrophobicContact CE1-CD1 3.92Å; Y183-I187 HydrophobicContact CE1-CG1 4.2Å; Y183-I187 WeakPolarHBondContact O-CG1 3.16Å; Y183-I187 PolarHBondContact O-N 2.81Å; Y183-V338 HydrophobicContact CE1-CG1 3.69Å; Y183-F339 WeakPolarHBondContact OH-CD1 3.38Å; Y183-C342 HydrophobicContact CD2-CB 4.3Å; Y183-C342 HydrophobicContact CE1-CB 4.31Å; Y183-C342 HydrophobicContact CE2-CB 3.64Å; Y183-G343 WeakPolarHBondContact CE2-O 3.4Å; Y183-G343 PolarHBondContact OH-O 3.09Å; Y183-P345 HydrophobicContact CE2-CB 4.2Å
184L89.7Confident87.4Confident28 Ų2873.6 Ų73.615%0.14738%0.382CS..Hα-helixtrans-65.6-43170.1-61.3177.4000110.9E167 I179 T180 E181 C186 I187 S188E167-L184 HydrophobicContact CB-CD1 4.11Å; E167-L184 HydrophobicContact CB-CD2 4.1Å; E167-L184 HydrophobicContact CG-CB 4.18Å; E167-L184 HydrophobicContact CG-CD1 4.06Å; E167-L184 HydrophobicContact CG-CD2 4.09Å; E167-L184 HydrophobicContact CG-CG 4.33Å; I179-L184 HydrophobicContact CG2-CD2 3.55Å; I179-L184 HydrophobicContact CG2-CG 3.99Å; T180-L184 PolarHBondContact O-N 3.1Å; E181-L184 WeakPolarHBondContact O-CB 3.32Å; E181-L184 PolarHBondContact O-N 3.12Å; L184-C186 PolarHBondContact O-N 2.87Å; L184-I187 HydrophobicContact CD2-CD1 4.21Å; L184-I187 WeakPolarHBondContact O-CB 3.3Å; L184-I187 PolarHBondContact O-N 3.18Å; L184-I187 VanDerWaalsContact O-N 3.1Å; L184-S188 PolarHBondContact O-N 3.4Å
185E89.8Confident87.6Confident115 Ų11579 Ų7954%0.53740%0.404SS..Hα-helixtrans-60.4-35.9172.9-160.1-137.6119.700111.3E181 S188 K189E181-E185 PolarHBondContact O-N 3.27Å; E185-S188 PolarHBondContact O-OG 2.78Å; E185-K189 WeakPolarHBondContact O-CE 3.47Å; E185-K189 VanDerWaalsContact OE1-CE 3.25Å; E185-K189 WeakPolarHBondContact OE1-CE 3.35Å; E185-K189 IonicContact OE1-NZ 3.58Å; E185-K189 PolarHBondContact OE1-NZ 3.11Å
186C90.9Very high87.7Confident27 Ų2774.9 Ų74.918%0.18238%0.376CS..Hα-helixtrans-66.8-43.8171.9-172.80000113D182 Y183 L184 S188 K189 Y190 C342D182-C186 PolarHBondContact O-N 3.39Å; D182-C186 VanDerWaalsContact O-N 3.08Å; Y183-C186 WeakPolarHBondContact O-CB 3.18Å; Y183-C186 PolarHBondContact O-N 2.64Å; L184-C186 PolarHBondContact O-N 2.87Å; C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact O-N 3.14Å; C186-K189 WeakPolarHBondContact O-CB 3.48Å; C186-K189 PolarHBondContact O-N 3.48Å; C186-Y190 WeakPolarHBondContact O-CD2 3.34Å; C186-C342 HydrophobicContact CB-CB 3.9Å; C186-C342 WeakPolarHBondContact CB-SG 3.39Å; C186-C342 WeakPolarHBondContact SG-CA 3.38Å; C186-C342 WeakPolarHBondContact SG-CB 3.32Å; C186-C342 CovalentContact SG-SG 2.04Å; C186-C342 PolarHBondContact SG-SG 2.04Å
187I89.1Confident88.1Confident8 Ų869.6 Ų69.64%0.04135%0.351CS..Hα-helixtrans-56.8-40.8176.2-73.7161.7000111.3L166 F170 Y183 L184 K189 Y190 T191 V338L166-I187 HydrophobicContact CD2-CG2 3.97Å; L166-I187 HydrophobicContact CG-CG2 4.25Å; F170-I187 HydrophobicContact CD1-CD1 3.5Å; F170-I187 VanDerWaalsContact CD1-CD1 3.5Å; F170-I187 HydrophobicContact CD2-CD1 4.24Å; F170-I187 HydrophobicContact CE1-CD1 3.57Å; F170-I187 HydrophobicContact CE2-CD1 4.3Å; F170-I187 HydrophobicContact CG-CD1 3.86Å; F170-I187 HydrophobicContact CZ-CD1 3.98Å; Y183-I187 HydrophobicContact CD1-CD1 3.75Å; Y183-I187 HydrophobicContact CD1-CG1 4.22Å; Y183-I187 HydrophobicContact CE1-CD1 3.92Å; Y183-I187 HydrophobicContact CE1-CG1 4.2Å; Y183-I187 WeakPolarHBondContact O-CG1 3.16Å; Y183-I187 PolarHBondContact O-N 2.81Å; L184-I187 HydrophobicContact CD2-CD1 4.21Å; L184-I187 WeakPolarHBondContact O-CB 3.3Å; L184-I187 PolarHBondContact O-N 3.18Å; L184-I187 VanDerWaalsContact O-N 3.1Å; I187-K189 PolarHBondContact O-N 3.31Å; I187-Y190 PolarHBondContact O-N 3.26Å; I187-T191 PolarHBondContact O-OG1 3.47Å; I187-V338 HydrophobicContact CD1-CG1 4.08Å; I187-V338 HydrophobicContact CG1-CG1 3.54Å; I187-V338 HydrophobicContact CG1-CG2 4.14Å
188S86.4Confident88.2Confident67 Ų6769.2 Ų69.247%0.46936%0.359SS..Hα-helixtrans-50.6-37.5-178.779.10000112.7L184 E185 C186 Y190 T191L184-S188 PolarHBondContact O-N 3.4Å; E185-S188 PolarHBondContact O-OG 2.78Å; C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact O-N 3.14Å; S188-Y190 VanDerWaalsContact C-N 3.26Å; S188-Y190 PolarHBondContact O-N 3.02Å; S188-T191 WeakPolarHBondContact CA-OG1 3.27Å; S188-T191 WeakPolarHBondContact O-CB 3.29Å; S188-T191 PolarHBondContact O-N 3.36Å; S188-T191 PolarHBondContact O-OG1 2.9Å
189K85.9Confident88.3Confident136 Ų13669.3 Ų69.359%0.59136%0.357SS*.THydrogen-bonded Turntrans-70-16.5-176.7-63.1159.8-170.1162.70113.8E185 C186 I187E185-K189 WeakPolarHBondContact O-CE 3.47Å; E185-K189 VanDerWaalsContact OE1-CE 3.25Å; E185-K189 WeakPolarHBondContact OE1-CE 3.35Å; E185-K189 IonicContact OE1-NZ 3.58Å; E185-K189 PolarHBondContact OE1-NZ 3.11Å; C186-K189 WeakPolarHBondContact O-CB 3.48Å; C186-K189 PolarHBondContact O-N 3.48Å; I187-K189 PolarHBondContact O-N 3.31Å
190Y85.3Confident88.4Confident72 Ų7268.2 Ų68.228%0.28235%0.351SS..THydrogen-bonded Turntrans-104-6178.1-66-77.9000113.4C186 I187 S188 D192 E193 L194 G341C186-Y190 WeakPolarHBondContact O-CD2 3.34Å; I187-Y190 PolarHBondContact O-N 3.26Å; S188-Y190 VanDerWaalsContact C-N 3.26Å; S188-Y190 PolarHBondContact O-N 3.02Å; Y190-D192 PolarHBondContact O-N 2.96Å; Y190-E193 PolarHBondContact O-N 2.72Å; Y190-L194 WeakPolarHBondContact O-CB 2.99Å; Y190-L194 WeakPolarHBondContact O-CG 3.49Å; Y190-L194 PolarHBondContact O-N 2.86Å; Y190-G341 VanDerWaalsContact OH-CA 3.28Å; Y190-G341 WeakPolarHBondContact OH-CA 3.49Å
191T84.4Confident88.6Confident42 Ų4266.2 Ų66.226%0.25834%0.339SS..Hα-helixtrans-57.1-43.3-174.6-50.60000113.2L166 I187 S188 K195L166-T191 HydrophobicContact CD2-CG2 3.85Å; L166-T191 WeakPolarHBondContact CD2-OG1 3.4Å; I187-T191 PolarHBondContact O-OG1 3.47Å; S188-T191 WeakPolarHBondContact CA-OG1 3.27Å; S188-T191 WeakPolarHBondContact O-CB 3.29Å; S188-T191 PolarHBondContact O-N 3.36Å; S188-T191 PolarHBondContact O-OG1 2.9Å; T191-K195 WeakPolarHBondContact O-CA 3.43Å; T191-K195 PolarHBondContact O-N 2.95Å
192D84.3Confident88.7Confident141 Ų14166.5 Ų66.575%0.75434%0.338SS*.Hα-helixtrans-72.2-29.8-177.3-79.7-39000114Y190 K195Y190-D192 PolarHBondContact O-N 2.96Å; D192-K195 WeakPolarHBondContact O-CE 3.49Å; D192-K195 WeakPolarHBondContact O-CG 2.86Å; D192-K195 PolarHBondContact O-NZ 3.12Å
193E84.8Confident88.7Confident122 Ų12265.5 Ų65.557%0.5733%0.328SS*.Hα-helixtrans-74.5-54.8172.8-172.3-170.6151.400109.7Y190 R337Y190-E193 PolarHBondContact O-N 2.72Å; E193-R337 IonicContact OE1-NH1 2.6Å; E193-R337 PolarHBondContact OE1-NH1 2.92Å
194L83.9Confident88.7Confident41 Ų4164.6 Ų64.622%0.21532%0.324CS..Hα-helixtrans-75.1-28.8-170-61.2-179000113.8Y190 P196 V334 R337 V338Y190-L194 WeakPolarHBondContact O-CB 2.99Å; Y190-L194 WeakPolarHBondContact O-CG 3.49Å; Y190-L194 PolarHBondContact O-N 2.86Å; L194-P196 HydrophobicContact CB-CG 4.48Å; L194-V334 HydrophobicContact CD1-CG1 4.47Å; L194-R337 HydrophobicContact CD1-CB 3.98Å; L194-R337 HydrophobicContact CD2-CB 3.58Å; L194-R337 HydrophobicContact CD2-CG 3.77Å; L194-R337 HydrophobicContact CG-CB 4.44Å; L194-V338 HydrophobicContact CD1-CG2 4.02Å
195K90.1Very high88.7Confident120 Ų12064.7 Ų64.752%0.52232%0.323SS..  trans4264.2-176.3-59.9-173.8-176.4730113T191 D192 F197 G198T191-K195 WeakPolarHBondContact O-CA 3.43Å; T191-K195 PolarHBondContact O-N 2.95Å; D192-K195 WeakPolarHBondContact O-CE 3.49Å; D192-K195 WeakPolarHBondContact O-CG 2.86Å; D192-K195 PolarHBondContact O-NZ 3.12Å; K195-F197 PolarHBondContact O-N 3.17Å; K195-G198 PolarHBondContact O-N 3.21Å
196P89.6Confident88.5Confident4 Ų461 Ų613%0.02631%0.313CS..THydrogen-bonded Turntrans-54.8-31.4-170.8-27.737.1000114.5L166 L194 N326 M327 V334L166-P196 HydrophobicContact CD1-CB 3.93Å; L166-P196 HydrophobicContact CD1-CG 3.77Å; L194-P196 HydrophobicContact CB-CG 4.48Å; P196-N326 CarbonylContact O-C 3.55Å; P196-M327 HydrophobicContact CB-CB 4.49Å; P196-M327 HydrophobicContact CB-CG 4.06Å; P196-M327 HydrophobicContact CB-SD 4.16Å; P196-M327 WeakPolarHBondContact O-CA 3.27Å; P196-M327 WeakPolarHBondContact O-CB 3.34Å; P196-M327 PolarHBondContact O-N 3.49Å; P196-V334 HydrophobicContact CB-CG1 4.48Å; P196-V334 HydrophobicContact CB-CG2 4.25Å; P196-V334 HydrophobicContact CG-CG1 4.24Å; P196-V334 HydrophobicContact CG-CG2 4.46Å
197F93.6Very high88.3Confident6 Ų661.2 Ų61.23%0.02631%0.311CS..THydrogen-bonded Turntrans-91.87.8179.5-58.9-55.1000114.7W162 L165 L166 M169 K195 P201 A323 N326 M327W162-F197 HydrophobicContact CB-CE2 4.49Å; W162-F197 HydrophobicContact CD2-CD2 4.48Å; W162-F197 AromaticContact CE3-CD2 3.69Å; W162-F197 HydrophobicContact CE3-CD2 3.69Å; W162-F197 AromaticContact CE3-CE2 3.86Å; W162-F197 HydrophobicContact CE3-CE2 3.86Å; W162-F197 HydrophobicContact CE3-CG 4.07Å; W162-F197 HydrophobicContact CE3-CZ 4.38Å; W162-F197 HydrophobicContact CZ3-CD1 4.44Å; W162-F197 HydrophobicContact CZ3-CD2 4.26Å; W162-F197 HydrophobicContact CZ3-CG 4.17Å; W162-F197 WeakPolarHBondContact O-CE2 3.26Å; L165-F197 HydrophobicContact CB-CZ 4.13Å; L165-F197 HydrophobicContact CD2-CE1 4.11Å; L165-F197 HydrophobicContact CD2-CZ 4.06Å; L165-F197 HydrophobicContact CG-CE1 4.19Å; L165-F197 HydrophobicContact CG-CZ 3.89Å; L166-F197 HydrophobicContact CB-CE2 3.94Å; L166-F197 HydrophobicContact CB-CZ 3.99Å; M169-F197 HydrophobicContact SD-CE1 3.84Å; K195-F197 PolarHBondContact O-N 3.17Å; F197-P201 HydrophobicContact CB-CG 3.55Å; F197-P201 HydrophobicContact CD2-CG 3.99Å; F197-P201 HydrophobicContact CG-CG 4.19Å; F197-A323 HydrophobicContact CB-CB 3.97Å; F197-A323 HydrophobicContact CD1-CB 4.12Å; F197-A323 WeakPolarHBondContact CD1-O 3.41Å; F197-A323 HydrophobicContact CG-CB 4.3Å; F197-N326 PolarHBondContact O-ND2 2.93Å; F197-M327 HydrophobicContact CD1-CB 3.9Å; F197-M327 HydrophobicContact CD1-SD 4.27Å; F197-M327 HydrophobicContact CE1-CB 4Å; F197-M327 HydrophobicContact CE1-CG 4.37Å; F197-M327 HydrophobicContact CE1-SD 3.53Å; F197-M327 VanDerWaalsContact CE1-SD 3.53Å; F197-M327 HydrophobicContact CZ-SD 3.9Å
198G91.2Very high88.2Confident30 Ų3060.8 Ų60.831%0.30931%0.309SS..THydrogen-bonded Turntrans71.7-144.8-169.400000112.3K195K195-G198 PolarHBondContact O-N 3.21Å
199D90.4Very high88.2Confident81 Ų8158.3 Ų58.343%0.43329%0.291SS..THydrogen-bonded Turntrans-94.20.617770.5-5.7000113.8K202 K203D199-K202 PolarHBondContact O-N 3.18Å; D199-K203 PolarHBondContact O-N 2.85Å; D199-K203 VanDerWaalsContact OD1-CE 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 3.34Å; D199-K203 IonicContact OD1-NZ 3.72Å; D199-K203 PolarHBondContact OD1-NZ 2.94Å; D199-K203 WeakPolarHBondContact OD2-CE 3.36Å; D199-K203 IonicContact OD2-NZ 2.67Å; D199-K203 PolarHBondContact OD2-NZ 2.93Å
200V92.1Very high88.1Confident5 Ų557.1 Ų57.13%0.0328%0.282CS..Hα-helixtrans-54.5-45.8180-177.20000112.8W162 K202 K203 L204 K319 E322 A323W162-V200 HydrophobicContact CH2-CG1 4.25Å; W162-V200 HydrophobicContact CZ2-CG1 4.46Å; V200-K202 VanDerWaalsContact C-N 3.31Å; V200-K202 PolarHBondContact O-N 3.44Å; V200-K203 PolarHBondContact O-N 2.91Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 PolarHBondContact O-N 3.37Å; V200-K319 HydrophobicContact CG1-CB 4.37Å; V200-K319 WeakPolarHBondContact CG1-O 3.37Å; V200-E322 HydrophobicContact CG2-CG 4.25Å; V200-A323 HydrophobicContact CB-CB 4.1Å; V200-A323 HydrophobicContact CG1-CB 4.04Å; V200-A323 HydrophobicContact CG2-CB 4.49Å
201P92.6Very high88Confident27 Ų2753.9 Ų53.918%0.17527%0.271CS..Hα-helixtrans-57.2-43.1178.3-27.736.8000113.2W162 F197 K205W162-P201 HydrophobicContact CD2-CB 3.86Å; W162-P201 HydrophobicContact CD2-CG 3.81Å; W162-P201 HydrophobicContact CE3-CG 4.04Å; W162-P201 HydrophobicContact CG-CB 3.88Å; W162-P201 HydrophobicContact CG-CG 4.2Å; W162-P201 HydrophobicContact CH2-CG 4.47Å; W162-P201 HydrophobicContact CZ2-CB 4.29Å; W162-P201 HydrophobicContact CZ2-CG 4.25Å; W162-P201 HydrophobicContact CZ3-CG 4.38Å; F197-P201 HydrophobicContact CB-CG 3.55Å; F197-P201 HydrophobicContact CD2-CG 3.99Å; F197-P201 HydrophobicContact CG-CG 4.19Å; P201-K205 WeakPolarHBondContact O-CB 3.16Å; P201-K205 PolarHBondContact O-N 2.7Å
202K90.8Very high88.2Confident175 Ų17551.9 Ų51.976%0.76126%0.259SS*.Hα-helixtrans-70.4-40.8-179.3-175.8173.7-179.3173.60111.9D199 V200 A206D199-K202 PolarHBondContact O-N 3.18Å; V200-K202 VanDerWaalsContact C-N 3.31Å; V200-K202 PolarHBondContact O-N 3.44Å; K202-A206 PolarHBondContact O-N 3.19Å
203K88.9Confident88.2Confident107 Ų10746.2 Ų46.247%0.46523%0.228SC..Hα-helixtrans-61.9-53.5173.3-76169.4171.8158.30110.9D199 V200 K205 A206 Q207D199-K203 PolarHBondContact O-N 2.85Å; D199-K203 VanDerWaalsContact OD1-CE 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 3.34Å; D199-K203 IonicContact OD1-NZ 3.72Å; D199-K203 PolarHBondContact OD1-NZ 2.94Å; D199-K203 WeakPolarHBondContact OD2-CE 3.36Å; D199-K203 IonicContact OD2-NZ 2.67Å; D199-K203 PolarHBondContact OD2-NZ 2.93Å; V200-K203 PolarHBondContact O-N 2.91Å; K203-K205 PolarHBondContact O-N 3.22Å; K203-A206 PolarHBondContact O-N 3.32Å; K203-Q207 WeakPolarHBondContact O-CB 3.35Å; K203-Q207 WeakPolarHBondContact O-CG 3.35Å; K203-Q207 PolarHBondContact O-N 3.46Å
204L89.8Confident88.2Confident3 Ų341.1 Ų41.12%0.01621%0.207CC..Hα-helixtrans-64.6-42.2-175.1-172.166.5000111.3W162 V200 A206 Q207 V208 I316 K319 I320W162-L204 HydrophobicContact CZ2-CB 4.48Å; W162-L204 HydrophobicContact CZ2-CD2 3.8Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 PolarHBondContact O-N 3.37Å; L204-A206 PolarHBondContact O-N 3.1Å; L204-Q207 WeakPolarHBondContact O-CB 3.38Å; L204-Q207 PolarHBondContact O-N 3.4Å; L204-Q207 VanDerWaalsContact O-N 3.11Å; L204-V208 HydrophobicContact CD1-CG2 3.73Å; L204-V208 HydrophobicContact CG-CG2 3.86Å; L204-V208 WeakPolarHBondContact O-CB 3.49Å; L204-V208 WeakPolarHBondContact O-CG2 3.42Å; L204-V208 PolarHBondContact O-N 2.86Å; L204-I316 HydrophobicContact CD1-CD1 4.17Å; L204-I316 HydrophobicContact CD1-CG1 3.93Å; L204-I316 HydrophobicContact CD2-CD1 4.25Å; L204-I316 HydrophobicContact CD2-CG1 4.04Å; L204-K319 HydrophobicContact CD1-CD 3.98Å; L204-I320 HydrophobicContact CD2-CG1 4.22Å
205K89.1Confident88.3Confident29 Ų2939.3 Ų39.313%0.12620%0.198CC..Hα-helixtrans-56.1-51174.2177166.6166.2164.30112.5E155 L158 N159 P201 K203 Q207 T209E155-K205 WeakPolarHBondContact O-CE 3.48Å; E155-K205 PolarHBondContact O-NZ 3.34Å; E155-K205 WeakPolarHBondContact OE1-CE 3.33Å; E155-K205 IonicContact OE1-NZ 2.67Å; E155-K205 WeakPolarHBondContact OE2-CE 3.37Å; E155-K205 IonicContact OE2-NZ 3.48Å; E155-K205 PolarHBondContact OE2-NZ 3.34Å; L158-K205 HydrophobicContact CD1-CB 4.37Å; L158-K205 HydrophobicContact CD1-CG 4.38Å; N159-K205 WeakPolarHBondContact OD1-CD 3.05Å; N159-K205 PolarHBondContact OD1-NZ 3.37Å; P201-K205 WeakPolarHBondContact O-CB 3.16Å; P201-K205 PolarHBondContact O-N 2.7Å; K203-K205 PolarHBondContact O-N 3.22Å; K205-Q207 PolarHBondContact O-N 2.69Å; K205-T209 WeakPolarHBondContact O-CB 3.38Å; K205-T209 PolarHBondContact O-N 3.36Å; K205-T209 VanDerWaalsContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 2.82Å; K205-T209 VanDerWaalsContact O-OG1 3.09Å
206A86.3Confident88.2Confident38 Ų3833.8 Ų33.831%0.31417%0.173SC..Hα-helixtrans-65.9-24.3177.200000113.7K202 K203 L204 R210K202-A206 PolarHBondContact O-N 3.19Å; K203-A206 PolarHBondContact O-N 3.32Å; L204-A206 PolarHBondContact O-N 3.1Å; A206-R210 VanDerWaalsContact O-CD 3.28Å; A206-R210 WeakPolarHBondContact O-CD 3.43Å; A206-R210 WeakPolarHBondContact O-CG 3.39Å
207Q84.9Confident88.1Confident31 Ų3133.6 Ų33.615%0.14517%0.172CC..Hα-helixtrans-78.3-56.9175.4-79.3-172.8-24.100112.5K203 L204 K205 R210 A211 P306 F307 V312K203-Q207 WeakPolarHBondContact O-CB 3.35Å; K203-Q207 WeakPolarHBondContact O-CG 3.35Å; K203-Q207 PolarHBondContact O-N 3.46Å; L204-Q207 WeakPolarHBondContact O-CB 3.38Å; L204-Q207 PolarHBondContact O-N 3.4Å; L204-Q207 VanDerWaalsContact O-N 3.11Å; K205-Q207 PolarHBondContact O-N 2.69Å; Q207-R210 PolarHBondContact O-N 3.12Å; Q207-A211 WeakPolarHBondContact O-CB 3.4Å; Q207-A211 PolarHBondContact O-N 3.05Å; Q207-P306 WeakPolarHBondContact CG-O 3.4Å; Q207-P306 PolarHBondContact NE2-O 3.39Å; Q207-F307 HydrophobicContact CG-CD1 4.04Å; Q207-F307 HydrophobicContact CG-CE1 4.24Å; Q207-V312 HydrophobicContact CB-CG1 3.91Å; Q207-V312 HydrophobicContact CB-CG2 3.74Å; Q207-V312 HydrophobicContact CG-CG2 4.1Å
208V87.7Confident87.9Confident0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-60.5-50.4-177.2171.40000110.7L143 L158 L204 R210 A211 F212 V312 I316L143-V208 HydrophobicContact CD2-CG1 3.74Å; L158-V208 HydrophobicContact CD1-CB 3.92Å; L158-V208 HydrophobicContact CD1-CG1 3.82Å; L204-V208 HydrophobicContact CD1-CG2 3.73Å; L204-V208 HydrophobicContact CG-CG2 3.86Å; L204-V208 WeakPolarHBondContact O-CB 3.49Å; L204-V208 WeakPolarHBondContact O-CG2 3.42Å; L204-V208 PolarHBondContact O-N 2.86Å; V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 PolarHBondContact O-N 3.47Å; V208-A211 PolarHBondContact O-N 3.32Å; V208-F212 HydrophobicContact CG1-CD2 3.7Å; V208-F212 HydrophobicContact CG1-CE2 3.78Å; V208-F212 WeakPolarHBondContact O-CD2 3.5Å; V208-F212 PolarHBondContact O-N 2.99Å; V208-V312 HydrophobicContact CG2-CG1 3.82Å; V208-I316 HydrophobicContact CG2-CD1 4.33Å
209T86.3Confident87.8Confident14 Ų1432.3 Ų32.39%0.08616%0.159CC..Hα-helixtrans-54.8-43179.6-61.70000111.9K205 I213K205-T209 WeakPolarHBondContact O-CB 3.38Å; K205-T209 PolarHBondContact O-N 3.36Å; K205-T209 VanDerWaalsContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 2.82Å; K205-T209 VanDerWaalsContact O-OG1 3.09Å; T209-I213 HydrophobicContact CG2-CD1 3.69Å; T209-I213 VanDerWaalsContact O-CB 3.3Å; T209-I213 WeakPolarHBondContact O-CB 3.35Å; T209-I213 WeakPolarHBondContact O-CD1 3.3Å; T209-I213 WeakPolarHBondContact O-CG1 3.21Å; T209-I213 PolarHBondContact O-N 3.44Å; T209-I213 VanDerWaalsContact O-N 3.08Å
210R83.3Confident87.9Confident111 Ų11130.8 Ų30.842%0.41915%0.149SC..Hα-helixtrans-71.5-41.2179.3-70.2178.2178.3156.51.4113.2A206 Q207 V208 A214A206-R210 VanDerWaalsContact O-CD 3.28Å; A206-R210 WeakPolarHBondContact O-CD 3.43Å; A206-R210 WeakPolarHBondContact O-CG 3.39Å; Q207-R210 PolarHBondContact O-N 3.12Å; V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 PolarHBondContact O-N 3.47Å; R210-A214 WeakPolarHBondContact O-CB 3.43Å; R210-A214 PolarHBondContact O-N 3.3Å; R210-A214 VanDerWaalsContact O-N 3.12Å
211A84.5Confident87.9Confident4 Ų430.5 Ų30.53%0.03315%0.147CC..Hα-helixtrans-65.4-46179.500000111.7Q207 V208 A214 A215 I309Q207-A211 WeakPolarHBondContact O-CB 3.4Å; Q207-A211 PolarHBondContact O-N 3.05Å; V208-A211 PolarHBondContact O-N 3.32Å; A211-A214 PolarHBondContact O-N 3.41Å; A211-A215 WeakPolarHBondContact O-CB 3.24Å; A211-A215 PolarHBondContact O-N 3.04Å; A211-I309 HydrophobicContact CB-CB 4.13Å; A211-I309 HydrophobicContact CB-CG1 4.18Å
212F87.3Confident88Confident1 Ų129.3 Ų29.30%0.00414%0.139CC..Hα-helixtrans-71.4-38.9-179.8-82-107000112.9L110 L143 Y146 L154 V208 A214 A215 R216 M313L110-F212 HydrophobicContact CD1-CE1 4.33Å; L110-F212 HydrophobicContact CD2-CE1 3.82Å; L110-F212 HydrophobicContact CD2-CZ 3.48Å; L110-F212 VanDerWaalsContact CD2-CZ 3.48Å; L143-F212 HydrophobicContact CB-CE1 3.83Å; L143-F212 HydrophobicContact CB-CZ 3.9Å; L143-F212 HydrophobicContact CD1-CZ 4.2Å; L143-F212 HydrophobicContact CD2-CD1 4.39Å; L143-F212 HydrophobicContact CD2-CD2 4.47Å; L143-F212 HydrophobicContact CD2-CE1 3.88Å; L143-F212 HydrophobicContact CD2-CE2 3.97Å; L143-F212 HydrophobicContact CD2-CZ 3.62Å; L143-F212 HydrophobicContact CG-CE1 4.39Å; L143-F212 HydrophobicContact CG-CZ 4.12Å; Y146-F212 HydrophobicContact CD1-CB 4.02Å; Y146-F212 HydrophobicContact CD1-CD1 4.07Å; Y146-F212 HydrophobicContact CE1-CB 3.84Å; L154-F212 HydrophobicContact CD1-CB 3.66Å; L154-F212 HydrophobicContact CD1-CG 4.42Å; V208-F212 HydrophobicContact CG1-CD2 3.7Å; V208-F212 HydrophobicContact CG1-CE2 3.78Å; V208-F212 WeakPolarHBondContact O-CD2 3.5Å; V208-F212 PolarHBondContact O-N 2.99Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 3.47Å; F212-A215 PolarHBondContact O-N 2.93Å; F212-R216 VanDerWaalsContact O-CB 3.27Å; F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.45Å; F212-M313 HydrophobicContact CE2-CE 4.45Å; F212-M313 HydrophobicContact CE2-CG 4.43Å; F212-M313 HydrophobicContact CE2-SD 3.58Å; F212-M313 VanDerWaalsContact CE2-SD 3.58Å; F212-M313 HydrophobicContact CZ-CE 4.29Å; F212-M313 HydrophobicContact CZ-SD 3.98Å
213I85.6Confident88.2Confident21 Ų2122 Ų2211%0.10811%0.11CC..Hα-helixtrans-58.8-45172.3-74169.8000110.2Y146 T209 T217 A478 I484Y146-I213 WeakPolarHBondContact OH-CG1 3.3Å; T209-I213 HydrophobicContact CG2-CD1 3.69Å; T209-I213 VanDerWaalsContact O-CB 3.3Å; T209-I213 WeakPolarHBondContact O-CB 3.35Å; T209-I213 WeakPolarHBondContact O-CD1 3.3Å; T209-I213 WeakPolarHBondContact O-CG1 3.21Å; T209-I213 PolarHBondContact O-N 3.44Å; T209-I213 VanDerWaalsContact O-N 3.08Å; I213-T217 WeakPolarHBondContact O-CB 3.5Å; I213-T217 PolarHBondContact O-N 3.07Å; I213-T217 PolarHBondContact O-OG1 3.08Å; I213-A478 HydrophobicContact CG2-CB 4.16Å; I213-I484 HydrophobicContact CG2-CD1 3.7Å; I213-I484 HydrophobicContact CG2-CG1 4.19Å
214A84.3Confident88.5Confident15 Ų1518.3 Ų18.312%0.12410%0.097CC..Hα-helixtrans-63.4-49.317800000112.1R210 A211 F212 F218 L298R210-A214 WeakPolarHBondContact O-CB 3.43Å; R210-A214 PolarHBondContact O-N 3.3Å; R210-A214 VanDerWaalsContact O-N 3.12Å; A211-A214 PolarHBondContact O-N 3.41Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 3.47Å; A214-F218 VanDerWaalsContact O-CB 3.24Å; A214-F218 WeakPolarHBondContact O-CB 3.26Å; A214-F218 PolarHBondContact O-N 2.89Å; A214-L298 HydrophobicContact CB-CD2 4.31Å
215A86.2Confident88.8Confident3 Ų318.2 Ų18.23%0.02510%0.096CC..Hα-helixtrans-63.3-52-179.800000112.7F106 A211 F212 T217 F218 V219 I309F106-A215 HydrophobicContact CD1-CB 4.26Å; F106-A215 HydrophobicContact CD2-CB 4.46Å; F106-A215 HydrophobicContact CE1-CB 4.11Å; F106-A215 HydrophobicContact CE2-CB 4.3Å; F106-A215 HydrophobicContact CG-CB 4.46Å; F106-A215 HydrophobicContact CZ-CB 4.12Å; A211-A215 WeakPolarHBondContact O-CB 3.24Å; A211-A215 PolarHBondContact O-N 3.04Å; F212-A215 PolarHBondContact O-N 2.93Å; A215-T217 PolarHBondContact O-N 3.43Å; A215-F218 PolarHBondContact O-N 2.64Å; A215-V219 PolarHBondContact O-N 2.87Å; A215-I309 HydrophobicContact CB-CD1 3.94Å
216R88.3Confident89.1Confident4 Ų419.4 Ų19.42%0.01510%0.1CC..Hα-helixtrans-57.6-47.9177.4179.3177.1170.6163.6-5.6110.9Y146 G149 G150 F212 F218 V219 Q220 F486Y146-R216 HydrophobicContact CE1-CB 4.17Å; Y146-R216 WeakPolarHBondContact O-CD 3.22Å; Y146-R216 PolarHBondContact O-NH1 2.99Å; G149-R216 PolarHBondContact O-NH2 3.02Å; G150-R216 PolarHBondContact O-NH1 2.95Å; F212-R216 VanDerWaalsContact O-CB 3.27Å; F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.45Å; R216-F218 VanDerWaalsContact C-N 3.33Å; R216-F218 PolarHBondContact O-N 3.41Å; R216-V219 PolarHBondContact O-N 3.28Å; R216-Q220 HydrophobicContact CG-CG 4.44Å; R216-Q220 WeakPolarHBondContact O-CB 3.19Å; R216-Q220 VanDerWaalsContact O-CG 3.26Å; R216-Q220 WeakPolarHBondContact O-CG 3.19Å; R216-Q220 PolarHBondContact O-N 3.33Å; R216-F486 HydrophobicContact CG-CE1 4.45Å; R216-F486 HydrophobicContact CG-CZ 4.47Å
217T87.3Confident89.5Confident0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-67-34.8-178.8-49.30000112I213 A215 G221 M471 K474 L475 A478 I484I213-T217 WeakPolarHBondContact O-CB 3.5Å; I213-T217 PolarHBondContact O-N 3.07Å; I213-T217 PolarHBondContact O-OG1 3.08Å; A215-T217 PolarHBondContact O-N 3.43Å; T217-G221 PolarHBondContact O-N 2.95Å; T217-M471 HydrophobicContact CG2-CE 3.58Å; T217-M471 WeakPolarHBondContact O-CE 3.2Å; T217-K474 HydrophobicContact CG2-CB 4.04Å; T217-L475 HydrophobicContact CG2-CD2 4.06Å; T217-L475 HydrophobicContact CG2-CG 4.23Å; T217-A478 HydrophobicContact CG2-CB 3.96Å; T217-I484 HydrophobicContact CG2-CD1 4.25Å
218F88.4Confident90.1Very high2 Ų218.6 Ų18.61%0.0099%0.09CC..Hα-helixtrans-66.9-48.4176.2169.7-124.4000112.4F102 F106 A214 A215 R216 G221 L222 V292 M296 V299 I389F102-F218 HydrophobicContact CB-CE1 4.41Å; F102-F218 AromaticContact CD1-CE1 3.66Å; F102-F218 HydrophobicContact CD1-CE1 3.66Å; F102-F218 HydrophobicContact CD1-CZ 4.47Å; F102-F218 AromaticContact CD2-CE1 3.9Å; F102-F218 HydrophobicContact CD2-CE1 3.9Å; F102-F218 AromaticContact CD2-CZ 3.99Å; F102-F218 HydrophobicContact CD2-CZ 3.99Å; F102-F218 AromaticContact CE1-CE1 3.75Å; F102-F218 HydrophobicContact CE1-CE1 3.75Å; F102-F218 HydrophobicContact CE1-CZ 4.33Å; F102-F218 HydrophobicContact CE2-CE1 4.02Å; F102-F218 AromaticContact CE2-CZ 3.88Å; F102-F218 HydrophobicContact CE2-CZ 3.88Å; F102-F218 AromaticContact CG-CE1 3.73Å; F102-F218 HydrophobicContact CG-CE1 3.73Å; F102-F218 HydrophobicContact CG-CZ 4.3Å; F102-F218 AromaticContact CZ-CE1 3.93Å; F102-F218 HydrophobicContact CZ-CE1 3.93Å; F102-F218 HydrophobicContact CZ-CZ 4.04Å; F106-F218 HydrophobicContact CE2-CD1 4.29Å; F106-F218 HydrophobicContact CZ-CD1 4.46Å; A214-F218 VanDerWaalsContact O-CB 3.24Å; A214-F218 WeakPolarHBondContact O-CB 3.26Å; A214-F218 PolarHBondContact O-N 2.89Å; A215-F218 PolarHBondContact O-N 2.64Å; R216-F218 VanDerWaalsContact C-N 3.33Å; R216-F218 PolarHBondContact O-N 3.41Å; F218-G221 CarbonylContact O-C 3.47Å; F218-G221 VanDerWaalsContact O-CA 3.26Å; F218-G221 WeakPolarHBondContact O-CA 3.24Å; F218-G221 PolarHBondContact O-N 2.88Å; F218-L222 HydrophobicContact CD2-CG 4.43Å; F218-L222 HydrophobicContact CE1-CD1 4.28Å; F218-L222 HydrophobicContact CE2-CD1 3.98Å; F218-L222 HydrophobicContact CE2-CD2 3.9Å; F218-L222 HydrophobicContact CE2-CG 3.85Å; F218-L222 HydrophobicContact CZ-CD1 3.69Å; F218-L222 HydrophobicContact CZ-CD2 4.38Å; F218-L222 HydrophobicContact CZ-CG 4.1Å; F218-L222 PolarHBondContact O-N 2.98Å; F218-V292 HydrophobicContact CE2-CG1 4.26Å; F218-M296 HydrophobicContact CD2-CG 3.79Å; F218-M296 HydrophobicContact CE2-CG 3.15Å; F218-M296 HydrophobicContact CE2-SD 3.55Å; F218-M296 VanDerWaalsContact CE2-SD 3.55Å; F218-M296 HydrophobicContact CZ-CG 3.59Å; F218-M296 HydrophobicContact CZ-SD 3.96Å; F218-V299 HydrophobicContact CB-CG2 4.44Å; F218-I389 HydrophobicContact CZ-CD1 4.27Å
219V90.9Very high90.5Very high7 Ų718.6 Ų18.64%0.0429%0.09CC..Hα-helixtrans-67.3-41.2179.2179.20000111.5F102 D103 F106 A215 R216 G221 L222 S223F102-V219 HydrophobicContact CB-CG2 4.18Å; D103-V219 HydrophobicContact CB-CG1 4.12Å; F106-V219 HydrophobicContact CD2-CG2 3.63Å; F106-V219 HydrophobicContact CE2-CG2 3.53Å; A215-V219 PolarHBondContact O-N 2.87Å; R216-V219 PolarHBondContact O-N 3.28Å; V219-G221 PolarHBondContact O-N 2.97Å; V219-L222 PolarHBondContact O-N 2.84Å; V219-L222 VanDerWaalsContact O-N 3.07Å; V219-S223 PolarHBondContact O-N 3.47Å
220Q91.6Very high90.9Very high49 Ų4921.7 Ų21.723%0.22910%0.103CC..Hα-helixtrans-57-39.1168.4-73.2-173.2-8.500111.6R216 L222 S223 V224 M471R216-Q220 HydrophobicContact CG-CG 4.44Å; R216-Q220 WeakPolarHBondContact O-CB 3.19Å; R216-Q220 VanDerWaalsContact O-CG 3.26Å; R216-Q220 WeakPolarHBondContact O-CG 3.19Å; R216-Q220 PolarHBondContact O-N 3.33Å; Q220-L222 PolarHBondContact O-N 2.87Å; Q220-S223 WeakPolarHBondContact O-CB 3.29Å; Q220-S223 PolarHBondContact O-N 2.97Å; Q220-S223 VanDerWaalsContact O-N 3.08Å; Q220-V224 PolarHBondContact O-N 2.84Å; Q220-M471 HydrophobicContact CB-CE 4.13Å; Q220-M471 HydrophobicContact CB-SD 4.21Å
221G92.6Very high91.4Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-53.4-49.1171.300000112.6T217 F218 V219 S223 G225 Y288T217-G221 PolarHBondContact O-N 2.95Å; F218-G221 CarbonylContact O-C 3.47Å; F218-G221 VanDerWaalsContact O-CA 3.26Å; F218-G221 WeakPolarHBondContact O-CA 3.24Å; F218-G221 PolarHBondContact O-N 2.88Å; V219-G221 PolarHBondContact O-N 2.97Å; G221-S223 VanDerWaalsContact C-N 3.34Å; G221-G225 PolarHBondContact O-N 2.79Å; G221-G225 VanDerWaalsContact O-N 3.16Å; G221-Y288 PolarHBondContact O-OH 2.93Å
222L93.4Very high91.9Very high1 Ų121.4 Ų21.41%0.00510%0.101CC..Hα-helixtrans-67.5-31.1175-59.9-173.4000112.9F95 H99 F102 F218 V219 Q220 G225 R226 V292 I389F95-L222 HydrophobicContact CE1-CD2 4.28Å; H99-L222 HydrophobicContact CB-CB 4.14Å; F102-L222 HydrophobicContact CD2-CD1 3.82Å; F102-L222 HydrophobicContact CE2-CD1 4.49Å; F218-L222 HydrophobicContact CD2-CG 4.43Å; F218-L222 HydrophobicContact CE1-CD1 4.28Å; F218-L222 HydrophobicContact CE2-CD1 3.98Å; F218-L222 HydrophobicContact CE2-CD2 3.9Å; F218-L222 HydrophobicContact CE2-CG 3.85Å; F218-L222 HydrophobicContact CZ-CD1 3.69Å; F218-L222 HydrophobicContact CZ-CD2 4.38Å; F218-L222 HydrophobicContact CZ-CG 4.1Å; F218-L222 PolarHBondContact O-N 2.98Å; V219-L222 PolarHBondContact O-N 2.84Å; V219-L222 VanDerWaalsContact O-N 3.07Å; Q220-L222 PolarHBondContact O-N 2.87Å; L222-G225 PolarHBondContact O-N 3.41Å; L222-R226 VanDerWaalsContact O-CB 3.28Å; L222-R226 WeakPolarHBondContact O-CB 3.26Å; L222-R226 PolarHBondContact O-N 3.28Å; L222-V292 HydrophobicContact CD2-CG1 4.16Å; L222-I389 HydrophobicContact CD1-CD1 3.61Å; L222-I389 HydrophobicContact CD2-CD1 3.57Å; L222-I389 HydrophobicContact CG-CD1 4.25Å
223S94.8Very high92.2Very high21 Ų2121.6 Ų21.615%0.14710%0.103CC..Hα-helixtrans-65.7-46177.5-165.20000111.2V219 Q220 G221 R226 E227V219-S223 PolarHBondContact O-N 3.47Å; Q220-S223 WeakPolarHBondContact O-CB 3.29Å; Q220-S223 PolarHBondContact O-N 2.97Å; Q220-S223 VanDerWaalsContact O-N 3.08Å; G221-S223 VanDerWaalsContact C-N 3.34Å; S223-R226 WeakPolarHBondContact O-CB 3.42Å; S223-R226 PolarHBondContact O-N 3.4Å; S223-R226 PolarHBondContact OG-NH2 3.49Å; S223-E227 WeakPolarHBondContact O-CB 3.42Å; S223-E227 WeakPolarHBondContact O-CG 3.28Å; S223-E227 PolarHBondContact O-N 2.95Å; S223-E227 PolarHBondContact OG-OE1 2.67Å
224V95.6Very high92.3Very high31 Ų3127.3 Ų27.319%0.18813%0.127CC..Hα-helixtrans-63.2-43175175.40000110.6Q220 R226 E227 V228 A467 L468 M471Q220-V224 PolarHBondContact O-N 2.84Å; V224-R226 PolarHBondContact O-N 3.49Å; V224-E227 PolarHBondContact O-N 3.31Å; V224-V228 HydrophobicContact CG1-CG2 4.21Å; V224-V228 WeakPolarHBondContact O-CB 3.36Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.32Å; V224-V228 PolarHBondContact O-N 2.97Å; V224-A467 HydrophobicContact CG1-CB 4.23Å; V224-L468 HydrophobicContact CG1-CD2 4.46Å; V224-M471 HydrophobicContact CB-CB 4.26Å; V224-M471 HydrophobicContact CB-CG 3.99Å; V224-M471 HydrophobicContact CB-SD 4.47Å; V224-M471 HydrophobicContact CG1-CB 4.08Å; V224-M471 HydrophobicContact CG1-CG 4.34Å; V224-M471 HydrophobicContact CG2-CB 4.19Å; V224-M471 HydrophobicContact CG2-CG 3.92Å; V224-M471 HydrophobicContact CG2-SD 3.8Å
225G95.6Very high92.5Very high0 Ų027.6 Ų27.60%013%0.127CC..Hα-helixtrans-60.7-44175.700000113.3G221 L222 A229 Y288G221-G225 PolarHBondContact O-N 2.79Å; G221-G225 VanDerWaalsContact O-N 3.16Å; L222-G225 PolarHBondContact O-N 3.41Å; G225-A229 VanDerWaalsContact O-CB 3.23Å; G225-A229 WeakPolarHBondContact O-CB 3.48Å; G225-A229 PolarHBondContact O-N 2.83Å; G225-Y288 WeakPolarHBondContact CA-OH 3.32Å; G225-Y288 PolarHBondContact N-OH 3.29Å
226R95.9Very high92.6Very high54 Ų5433.5 Ų33.520%0.20416%0.158CC..Hα-helixtrans-57.3-51.5173.2178.3-164.371.5-151.8-1.3111.4F95 V96 H99 L222 S223 V224 A229 Q230F95-R226 HydrophobicContact CB-CB 3.96Å; V96-R226 HydrophobicContact CG2-CG 3.79Å; H99-R226 PolarHBondContact CD2-NH1 3.1Å; H99-R226 VanDerWaalsContact CD2-NH1 3.28Å; H99-R226 PolarHBondContact CE1-NH1 3.02Å; H99-R226 VanDerWaalsContact CE1-NH1 3.27Å; H99-R226 PolarHBondContact ND1-NH1 2.8Å; H99-R226 PolarHBondContact NE2-NH1 2.69Å; H99-R226 VanDerWaalsContact NE2-NH1 3.12Å; L222-R226 VanDerWaalsContact O-CB 3.28Å; L222-R226 WeakPolarHBondContact O-CB 3.26Å; L222-R226 PolarHBondContact O-N 3.28Å; S223-R226 WeakPolarHBondContact O-CB 3.42Å; S223-R226 PolarHBondContact O-N 3.4Å; S223-R226 PolarHBondContact OG-NH2 3.49Å; V224-R226 PolarHBondContact O-N 3.49Å; R226-A229 PolarHBondContact O-N 3.37Å; R226-Q230 WeakPolarHBondContact O-CB 3.29Å; R226-Q230 VanDerWaalsContact O-CG 3.25Å; R226-Q230 WeakPolarHBondContact O-CG 3.47Å; R226-Q230 PolarHBondContact O-N 3.44Å
227E96.1Very high92.8Very high51 Ų5134 Ų3424%0.23816%0.163CC..Hα-helixtrans-67.6-43.4-176.3-77.4168.3-124.600112.1S223 V224 Q230 R231S223-E227 WeakPolarHBondContact O-CB 3.42Å; S223-E227 WeakPolarHBondContact O-CG 3.28Å; S223-E227 PolarHBondContact O-N 2.95Å; S223-E227 PolarHBondContact OG-OE1 2.67Å; V224-E227 PolarHBondContact O-N 3.31Å; E227-Q230 PolarHBondContact O-N 3.15Å; E227-R231 WeakPolarHBondContact O-CB 3.27Å; E227-R231 VanDerWaalsContact O-CG 3.22Å; E227-R231 WeakPolarHBondContact O-CG 3.34Å; E227-R231 PolarHBondContact O-N 2.9Å; E227-R231 IonicContact OE2-CZ 3.1Å; E227-R231 IonicContact OE2-NH1 2.67Å; E227-R231 IonicContact OE2-NH2 2.72Å; E227-R231 PolarHBondContact OE2-NH2 3.18Å
228V96.6Very high93.1Very high2 Ų237.2 Ų37.21%0.01218%0.182CC..Hα-helixtrans-60.9-47.7174.5171.90000110.4V224 Q230 R231 V232 L281 W285 Q464 L468V224-V228 HydrophobicContact CG1-CG2 4.21Å; V224-V228 WeakPolarHBondContact O-CB 3.36Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.32Å; V224-V228 PolarHBondContact O-N 2.97Å; V228-Q230 VanDerWaalsContact C-N 3.31Å; V228-Q230 PolarHBondContact O-N 3.28Å; V228-R231 PolarHBondContact O-N 3.4Å; V228-V232 HydrophobicContact CG1-CG2 3.87Å; V228-V232 WeakPolarHBondContact O-CB 3.29Å; V228-V232 VanDerWaalsContact O-CG2 3.26Å; V228-V232 WeakPolarHBondContact O-CG2 3.48Å; V228-V232 PolarHBondContact O-N 2.77Å; V228-L281 HydrophobicContact CG1-CD2 3.69Å; V228-W285 HydrophobicContact CB-CZ3 4.44Å; V228-W285 HydrophobicContact CG1-CE3 4.31Å; V228-W285 HydrophobicContact CG1-CZ3 4.14Å; V228-Q464 HydrophobicContact CG1-CB 4.32Å; V228-Q464 HydrophobicContact CG2-CB 4.15Å; V228-L468 HydrophobicContact CB-CD2 4.46Å; V228-L468 HydrophobicContact CG1-CD1 4.29Å; V228-L468 HydrophobicContact CG1-CD2 4.37Å; V228-L468 HydrophobicContact CG1-CG 4.43Å; V228-L468 HydrophobicContact CG2-CD2 4.12Å; V228-L468 HydrophobicContact CG2-CG 4.23Å
229A95.8Very high93.4Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-62-35.4177.500000113.2L91 R92 G225 R226 S233L91-A229 HydrophobicContact CD2-CB 3.83Å; L91-A229 HydrophobicContact CG-CB 4.11Å; R92-A229 HydrophobicContact CG-CB 4.28Å; R92-A229 WeakPolarHBondContact CG-O 3.49Å; G225-A229 VanDerWaalsContact O-CB 3.23Å; G225-A229 WeakPolarHBondContact O-CB 3.48Å; G225-A229 PolarHBondContact O-N 2.83Å; R226-A229 PolarHBondContact O-N 3.37Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-OG 2.92Å
230Q94.8Very high93.7Very high78 Ų7842 Ų4236%0.36422%0.215SC..Hα-helixtrans-74.8-38.1175.7-75.1174.9-25.100113.4R92 V96 R226 E227 V228R92-Q230 HydrophobicContact CG-CG 4.28Å; V96-Q230 VanDerWaalsContact CG2-NE2 3.27Å; R226-Q230 WeakPolarHBondContact O-CB 3.29Å; R226-Q230 VanDerWaalsContact O-CG 3.25Å; R226-Q230 WeakPolarHBondContact O-CG 3.47Å; R226-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 PolarHBondContact O-N 3.15Å; V228-Q230 VanDerWaalsContact C-N 3.31Å; V228-Q230 PolarHBondContact O-N 3.28Å
231R94.6Very high93.9Very high109 Ų10939.8 Ų39.841%0.41121%0.205SC..Hα-helixtrans-79.3-48.9-175-77.8178.2-173.2161.613.3112.8E227 V228 S233 K234 F460E227-R231 WeakPolarHBondContact O-CB 3.27Å; E227-R231 VanDerWaalsContact O-CG 3.22Å; E227-R231 WeakPolarHBondContact O-CG 3.34Å; E227-R231 PolarHBondContact O-N 2.9Å; E227-R231 IonicContact OE2-CZ 3.1Å; E227-R231 IonicContact OE2-NH1 2.67Å; E227-R231 IonicContact OE2-NH2 2.72Å; E227-R231 PolarHBondContact OE2-NH2 3.18Å; V228-R231 PolarHBondContact O-N 3.4Å; R231-S233 VanDerWaalsContact C-N 3.3Å; R231-S233 PolarHBondContact O-N 3.07Å; R231-K234 PolarHBondContact O-N 3.05Å; R231-K234 VanDerWaalsContact O-N 3.11Å; R231-F460 HydrophobicContact CB-CE1 4.07Å; R231-F460 HydrophobicContact CB-CZ 3.65Å; R231-F460 HydrophobicContact CG-CZ 4Å
232V95Very high94.1Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-66.2-35.3-176.5177.20000111.4V228 K234 V235 Q278 L281 W400 I461 Q464V228-V232 HydrophobicContact CG1-CG2 3.87Å; V228-V232 WeakPolarHBondContact O-CB 3.29Å; V228-V232 VanDerWaalsContact O-CG2 3.26Å; V228-V232 WeakPolarHBondContact O-CG2 3.48Å; V228-V232 PolarHBondContact O-N 2.77Å; V232-K234 PolarHBondContact O-N 3.38Å; V232-K234 VanDerWaalsContact O-N 3.1Å; V232-V235 PolarHBondContact O-N 3.47Å; V232-Q278 HydrophobicContact CG1-CB 4.22Å; V232-Q278 HydrophobicContact CG1-CG 3.73Å; V232-L281 HydrophobicContact CG1-CD1 3.85Å; V232-L281 HydrophobicContact CG2-CD1 4.22Å; V232-L281 HydrophobicContact CG2-CD2 3.76Å; V232-W400 HydrophobicContact CB-CH2 3.58Å; V232-W400 HydrophobicContact CB-CZ2 4.06Å; V232-W400 HydrophobicContact CB-CZ3 3.98Å; V232-W400 HydrophobicContact CG1-CD2 4.41Å; V232-W400 HydrophobicContact CG1-CE3 3.86Å; V232-W400 HydrophobicContact CG1-CH2 3.52Å; V232-W400 HydrophobicContact CG1-CZ2 4.06Å; V232-W400 HydrophobicContact CG1-CZ3 3.39Å; V232-I461 HydrophobicContact CG1-CD1 3.83Å; V232-I461 HydrophobicContact CG2-CD1 4.26Å; V232-Q464 HydrophobicContact CG2-CB 4.1Å; V232-Q464 HydrophobicContact CG2-CG 3.81Å
233S92.5Very high94.3Very high6 Ų647.7 Ų47.74%0.04224%0.237CC..THydrogen-bonded Turntrans-71.33.3175.5-47.40000114.4S88 A229 R231S88-S233 VanDerWaalsContact CB-OG 3.27Å; S88-S233 WeakPolarHBondContact CB-OG 3.48Å; S88-S233 WeakPolarHBondContact OG-CB 3.34Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-OG 2.92Å; R231-S233 VanDerWaalsContact C-N 3.3Å; R231-S233 PolarHBondContact O-N 3.07Å
234K89.1Confident94.4Very high141 Ų14146.9 Ų46.961%0.61323%0.232SC*.THydrogen-bonded Turntrans-13120.4-180-65.4-168173.9-163.80113.2R231 V232R231-K234 PolarHBondContact O-N 3.05Å; R231-K234 VanDerWaalsContact O-N 3.11Å; V232-K234 PolarHBondContact O-N 3.38Å; V232-K234 VanDerWaalsContact O-N 3.1Å
235V88.3Confident94.5Very high20 Ų2045.4 Ų45.412%0.12122%0.223CC..PPolyproline II helixtrans-73.1131.9174172.80000109.9V232 F460 I461V232-V235 PolarHBondContact O-N 3.47Å; V235-F460 HydrophobicContact CG2-CD1 3.75Å; V235-F460 HydrophobicContact CG2-CE1 3.69Å; V235-I461 HydrophobicContact CG2-CD1 4.06Å; V235-I461 HydrophobicContact CG2-CG1 4.42Å
236N88.3Confident94.5Very high127 Ų12745.5 Ų45.568%0.67922%0.223SC*.PPolyproline II helixtrans-62.1136.1-176.9-72.8-61.9000112.4
237S91.9Very high94.6Very high16 Ų1644.6 Ų44.611%0.11222%0.221CC..PPolyproline II helixtrans-64.3134.1174.3-61.60000112.1F80F80-S237 VanDerWaalsContact CD1-OG 3.28Å; F80-S237 WeakPolarHBondContact CD1-OG 3.15Å; F80-S237 WeakPolarHBondContact CE1-OG 3.39Å
238T93.9Very high94.6Very high66 Ų6642.2 Ų42.241%0.40521%0.21SC..PPolyproline II helixtrans-72.7154.4177.869.10000111.7A240 C241 I242T238-A240 PolarHBondContact O-N 2.78Å; T238-A240 VanDerWaalsContact O-N 3.16Å; T238-C241 WeakPolarHBondContact O-CB 3.38Å; T238-C241 PolarHBondContact O-N 2.91Å; T238-C241 VanDerWaalsContact O-N 3.08Å; T238-C241 WeakPolarHBondContact OG1-CB 3.38Å; T238-C241 PolarHBondContact OG1-N 2.99Å; T238-C241 VanDerWaalsContact OG1-N 3.14Å; T238-I242 WeakPolarHBondContact O-CG1 3.48Å; T238-I242 PolarHBondContact O-N 2.89Å
239P94.9Very high94.5Very high93 Ų9343.8 Ų43.860%0.60422%0.218SC*.Hα-helixtrans-59.6-25.9175.1-26.135.5000114.1R243P239-R243 WeakPolarHBondContact O-CG 3.4Å; P239-R243 PolarHBondContact O-N 2.98Å; P239-R243 PolarHBondContact O-NH1 2.69Å
240A95.7Very high94.5Very high18 Ų1844.1 Ų44.115%0.14922%0.219CC..Hα-helixtrans-72.3-45.1173.400000111.7T238 R243 G244 V450 G451T238-A240 PolarHBondContact O-N 2.78Å; T238-A240 VanDerWaalsContact O-N 3.16Å; A240-R243 PolarHBondContact O-N 3.17Å; A240-G244 PolarHBondContact O-N 2.95Å; A240-G244 VanDerWaalsContact O-N 3.08Å; A240-V450 HydrophobicContact CB-CG1 4.17Å; A240-G451 VanDerWaalsContact CB-O 3.29Å; A240-G451 WeakPolarHBondContact CB-O 3.29Å
241C96.7Very high94.6Very high1 Ų140.4 Ų40.41%0.00720%0.202CC..Hα-helixtrans-57.8-48173.3168.40000111.5T238 R243 G244 L245 C274T238-C241 WeakPolarHBondContact O-CB 3.38Å; T238-C241 PolarHBondContact O-N 2.91Å; T238-C241 VanDerWaalsContact O-N 3.08Å; T238-C241 WeakPolarHBondContact OG1-CB 3.38Å; T238-C241 PolarHBondContact OG1-N 2.99Å; T238-C241 VanDerWaalsContact OG1-N 3.14Å; C241-R243 VanDerWaalsContact C-N 3.33Å; C241-R243 PolarHBondContact O-N 3.11Å; C241-G244 WeakPolarHBondContact O-CA 3.41Å; C241-G244 PolarHBondContact O-N 3.36Å; C241-L245 WeakPolarHBondContact O-CG 3.48Å; C241-L245 PolarHBondContact O-N 2.61Å; C241-L245 VanDerWaalsContact SG-CD1 3.53Å; C241-C274 VanDerWaalsContact CA-SG 3.52Å; C241-C274 HydrophobicContact CB-CB 3.94Å; C241-C274 WeakPolarHBondContact CB-SG 3.19Å; C241-C274 WeakPolarHBondContact SG-CB 3.24Å; C241-C274 CovalentContact SG-SG 2.03Å; C241-C274 PolarHBondContact SG-SG 3.31Å
242I96.9Very high94.5Very high37 Ų3735.3 Ų35.319%0.1918%0.183CC..Hα-helixtrans-59-42.3179.4-64.4167.8000111.3G73 K77 T238 G244 L245 T246G73-I242 VanDerWaalsContact O-CG2 3.3Å; G73-I242 WeakPolarHBondContact O-CG2 3.21Å; K77-I242 HydrophobicContact CB-CD1 4.32Å; K77-I242 HydrophobicContact CB-CG1 4.24Å; K77-I242 HydrophobicContact CD-CD1 4.04Å; K77-I242 HydrophobicContact CG-CD1 4Å; K77-I242 HydrophobicContact CG-CG1 4.19Å; T238-I242 WeakPolarHBondContact O-CG1 3.48Å; T238-I242 PolarHBondContact O-N 2.89Å; I242-G244 PolarHBondContact O-N 3.45Å; I242-L245 PolarHBondContact O-N 3.32Å; I242-T246 PolarHBondContact O-N 2.86Å; I242-T246 PolarHBondContact O-OG1 3.42Å
243R96.8Very high94.4Very high131 Ų13135.5 Ų35.549%0.49418%0.184SC..Hα-helixtrans-61.9-43.1173.8-71.4-170.1-58.3-90.34.4112.4V56 P239 A240 C241 T246 K247V56-R243 HydrophobicContact CG1-CB 4.25Å; V56-R243 WeakPolarHBondContact CG1-O 3.42Å; V56-R243 HydrophobicContact CG2-CB 4.35Å; V56-R243 HydrophobicContact CG2-CG 3.84Å; P239-R243 WeakPolarHBondContact O-CG 3.4Å; P239-R243 PolarHBondContact O-N 2.98Å; P239-R243 PolarHBondContact O-NH1 2.69Å; A240-R243 PolarHBondContact O-N 3.17Å; C241-R243 VanDerWaalsContact C-N 3.33Å; C241-R243 PolarHBondContact O-N 3.11Å; R243-T246 PolarHBondContact O-N 2.93Å; R243-K247 WeakPolarHBondContact O-CB 3.21Å; R243-K247 PolarHBondContact O-N 3.34Å
244G97.4Very high94.4Very high3 Ų335.2 Ų35.23%0.03118%0.182CC..Hα-helixtrans-61.1-45.2175.900000112.9A240 C241 I242 K247 M248A240-G244 PolarHBondContact O-N 2.95Å; A240-G244 VanDerWaalsContact O-N 3.08Å; C241-G244 WeakPolarHBondContact O-CA 3.41Å; C241-G244 PolarHBondContact O-N 3.36Å; I242-G244 PolarHBondContact O-N 3.45Å; G244-K247 PolarHBondContact O-N 3.47Å; G244-M248 WeakPolarHBondContact O-CB 3.5Å; G244-M248 PolarHBondContact O-N 2.92Å
245L97.4Very high94.5Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-61.7-42.9175.6-69167.4000112F80 C241 I242 M248 L249 V270 M271F80-L245 HydrophobicContact CB-CD1 3.58Å; F80-L245 HydrophobicContact CB-CD2 4.22Å; F80-L245 HydrophobicContact CD1-CD1 4.15Å; F80-L245 HydrophobicContact CD2-CD1 3.95Å; F80-L245 HydrophobicContact CD2-CD2 3.86Å; F80-L245 HydrophobicContact CG-CD1 3.63Å; F80-L245 HydrophobicContact CG-CD2 4.28Å; C241-L245 WeakPolarHBondContact O-CG 3.48Å; C241-L245 PolarHBondContact O-N 2.61Å; C241-L245 VanDerWaalsContact SG-CD1 3.53Å; I242-L245 PolarHBondContact O-N 3.32Å; L245-M248 HydrophobicContact CD2-CE 3.93Å; L245-M248 PolarHBondContact O-N 3.16Å; L245-L249 WeakPolarHBondContact O-CB 3.17Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.15Å; L245-V270 HydrophobicContact CD2-CG1 3.89Å; L245-V270 HydrophobicContact CG-CG1 4.22Å; L245-M271 HydrophobicContact CD2-CE 4.37Å; L245-M271 HydrophobicContact CD2-SD 4.23Å
246T97Very high94.6Very high2 Ų232.4 Ų32.41%0.01217%0.171CC..Hα-helixtrans-65.6-42.3175.9-54.80000111.9V56 F72 G73 S76 I242 R243 M248 Y250 C251V56-T246 HydrophobicContact CG1-CG2 4.4Å; F72-T246 HydrophobicContact CB-CG2 4.18Å; G73-T246 WeakPolarHBondContact CA-OG1 3.39Å; S76-T246 PolarHBondContact OG-OG1 3.19Å; I242-T246 PolarHBondContact O-N 2.86Å; I242-T246 PolarHBondContact O-OG1 3.42Å; R243-T246 PolarHBondContact O-N 2.93Å; T246-M248 PolarHBondContact O-N 3.12Å; T246-Y250 PolarHBondContact O-N 3.38Å; T246-C251 PolarHBondContact O-N 2.87Å
247K97.3Very high94.7Very high36 Ų3628.5 Ų28.516%0.15715%0.15CC..Hα-helixtrans-57.9-37.8172.9-167.4-167168.4-162.10111.9V56 R243 G244 C251 Y266 W424 G426 H427 E449V56-K247 HydrophobicContact CG1-CB 4.21Å; R243-K247 WeakPolarHBondContact O-CB 3.21Å; R243-K247 PolarHBondContact O-N 3.34Å; G244-K247 PolarHBondContact O-N 3.47Å; K247-C251 VanDerWaalsContact CA-SG 3.57Å; K247-Y266 VanDerWaalsContact C-OH 3.29Å; K247-Y266 WeakPolarHBondContact CD-OH 3.37Å; K247-Y266 WeakPolarHBondContact CG-OH 3.13Å; K247-Y266 PolarHBondContact O-OH 2.79Å; K247-W424 PolarHBondContact O-NE1 2.85Å; K247-G426 WeakPolarHBondContact CE-O 3.25Å; K247-H427 PolarHBondContact NZ-NE2 2.92Å; K247-E449 IonicContact NZ-OE2 2.84Å; K247-E449 PolarHBondContact NZ-OE2 2.73Å
248M96.5Very high94.6Very high1 Ų128.7 Ų28.71%0.00515%0.151CC..Hα-helixtrans-77.8-44.7-178.5-175.9-17771.700114.1G244 L245 T246 P262 Y266 C267 V270 M271G244-M248 WeakPolarHBondContact O-CB 3.5Å; G244-M248 PolarHBondContact O-N 2.92Å; L245-M248 HydrophobicContact CD2-CE 3.93Å; L245-M248 PolarHBondContact O-N 3.16Å; T246-M248 PolarHBondContact O-N 3.12Å; M248-P262 HydrophobicContact CG-CB 3.59Å; M248-P262 HydrophobicContact CG-CG 3.88Å; M248-P262 HydrophobicContact SD-CB 4.39Å; M248-P262 HydrophobicContact SD-CG 4.46Å; M248-Y266 WeakPolarHBondContact CA-OH 3.27Å; M248-Y266 HydrophobicContact CB-CE1 3.92Å; M248-Y266 HydrophobicContact CG-CD1 4.18Å; M248-Y266 HydrophobicContact CG-CE1 3.89Å; M248-Y266 PolarHBondContact N-OH 3.18Å; M248-C267 VanDerWaalsContact SD-CA 3.55Å; M248-C267 HydrophobicContact SD-CB 3.84Å; M248-V270 HydrophobicContact CB-CG2 4.28Å; M248-V270 HydrophobicContact CE-CG1 4.24Å; M248-V270 HydrophobicContact SD-CB 3.85Å; M248-V270 HydrophobicContact SD-CG1 4.02Å; M248-V270 HydrophobicContact SD-CG2 4.05Å; M248-M271 HydrophobicContact CE-CE 4.08Å
249L94.7Very high94.4Very high35 Ų3528.9 Ų28.918%0.18317%0.166CC..Hα-helixtrans-98.7-29.2-168.4-65.4173000114.2L245L245-L249 WeakPolarHBondContact O-CB 3.17Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.15Å
250Y95.3Very high94.2Very high6 Ų625.7 Ų25.72%0.02414%0.144CC..THydrogen-bonded Turntrans-126.6-26.2-165.9-72.2-75.4000115.4F39 F72 Q75 D79 T246 F253F39-Y250 AromaticContact CE2-CE1 3.86Å; F39-Y250 HydrophobicContact CE2-CE1 3.86Å; F39-Y250 HydrophobicContact CZ-CD1 4.44Å; F39-Y250 AromaticContact CZ-CE1 3.65Å; F39-Y250 HydrophobicContact CZ-CE1 3.65Å; F72-Y250 HydrophobicContact CB-CD1 4.18Å; F72-Y250 HydrophobicContact CB-CD2 4.33Å; F72-Y250 HydrophobicContact CB-CG 3.79Å; F72-Y250 AromaticContact CD1-CD1 3.32Å; F72-Y250 HydrophobicContact CD1-CD1 3.32Å; F72-Y250 AromaticContact CD1-CE1 3.84Å; F72-Y250 HydrophobicContact CD1-CE1 3.84Å; F72-Y250 AromaticContact CD1-CG 3.87Å; F72-Y250 HydrophobicContact CD1-CG 3.87Å; F72-Y250 HydrophobicContact CD2-CD1 4.44Å; F72-Y250 AromaticContact CE1-CD1 3.73Å; F72-Y250 HydrophobicContact CE1-CD1 3.73Å; F72-Y250 HydrophobicContact CE1-CE1 4.17Å; F72-Y250 AromaticContact CG-CD1 3.75Å; F72-Y250 HydrophobicContact CG-CD1 3.75Å; F72-Y250 AromaticContact CG-CG 3.84Å; F72-Y250 HydrophobicContact CG-CG 3.84Å; F72-Y250 HydrophobicContact CZ-CD1 4.43Å; Q75-Y250 HydrophobicContact CB-CE2 4.46Å; Q75-Y250 HydrophobicContact CG-CE2 4.46Å; Q75-Y250 WeakPolarHBondContact CG-OH 3.45Å; D79-Y250 WeakPolarHBondContact OD2-CE2 3.3Å; D79-Y250 PolarHBondContact OD2-OH 2.76Å; T246-Y250 PolarHBondContact O-N 3.38Å; Y250-F253 HydrophobicContact CD1-CD2 4.27Å; Y250-F253 HydrophobicContact CD1-CE2 4.39Å; Y250-F253 VanDerWaalsContact O-CB 3.3Å; Y250-F253 WeakPolarHBondContact O-CB 3.35Å; Y250-F253 PolarHBondContact O-N 2.69Å
251C95.4Very high94.1Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-58.8-21.9169.6-63.50000115.8C57 Y59 T246 K247 F253 C254 R255 W424C57-C251 WeakPolarHBondContact CA-SG 3.25Å; C57-C251 HydrophobicContact CB-CB 3.9Å; C57-C251 WeakPolarHBondContact CB-SG 3.44Å; C57-C251 WeakPolarHBondContact SG-CA 3.44Å; C57-C251 WeakPolarHBondContact SG-CB 3.38Å; C57-C251 CovalentContact SG-SG 2.03Å; C57-C251 PolarHBondContact SG-SG 3.09Å; Y59-C251 HydrophobicContact CE2-CB 4.17Å; Y59-C251 WeakPolarHBondContact OH-CB 3.32Å; T246-C251 PolarHBondContact O-N 2.87Å; K247-C251 VanDerWaalsContact CA-SG 3.57Å; C251-F253 VanDerWaalsContact C-N 3.27Å; C251-F253 PolarHBondContact O-N 3.35Å; C251-C254 PolarHBondContact O-N 2.66Å; C251-R255 PolarHBondContact O-N 2.89Å; C251-W424 HydrophobicContact CB-CZ2 3.97Å
252P93.7Very high94Very high2 Ų229.1 Ų29.11%0.01316%0.157CC..Hα-helixtrans-55.8-38.2166-26.434.4000113.6R255 G256 L257 W424P252-R255 PolarHBondContact O-N 2.7Å; P252-G256 PolarHBondContact O-N 3.19Å; P252-L257 WeakPolarHBondContact CB-O 3.46Å; P252-L257 CarbonylContact O-C 3.45Å; P252-L257 WeakPolarHBondContact O-CA 3.45Å; P252-L257 PolarHBondContact O-N 2.91Å; P252-W424 HydrophobicContact CB-CD2 4.47Å; P252-W424 HydrophobicContact CG-CB 4.4Å; P252-W424 HydrophobicContact CG-CD2 3.71Å; P252-W424 HydrophobicContact CG-CE3 4.31Å; P252-W424 HydrophobicContact CG-CG 3.73Å; P252-W424 HydrophobicContact CG-CZ2 4.28Å
253F92.9Very high93.9Very high4 Ų427.6 Ų27.62%0.01815%0.149CC..Hα-helixtrans-62.8-45.9175.6-71.5-111.3000109.9V30 A33 F72 Y250 C251 R255 G256 P258V30-F253 HydrophobicContact CG1-CB 4Å; V30-F253 HydrophobicContact CG1-CD1 4.35Å; V30-F253 WeakPolarHBondContact CG1-O 3.23Å; V30-F253 WeakPolarHBondContact CG2-O 3.42Å; A33-F253 HydrophobicContact CB-CD1 4.48Å; A33-F253 HydrophobicContact CB-CE1 3.77Å; F72-F253 HydrophobicContact CE2-CB 4.27Å; F72-F253 HydrophobicContact CZ-CB 4.29Å; F72-F253 HydrophobicContact CZ-CG 4.49Å; Y250-F253 HydrophobicContact CD1-CD2 4.27Å; Y250-F253 HydrophobicContact CD1-CE2 4.39Å; Y250-F253 VanDerWaalsContact O-CB 3.3Å; Y250-F253 WeakPolarHBondContact O-CB 3.35Å; Y250-F253 PolarHBondContact O-N 2.69Å; C251-F253 VanDerWaalsContact C-N 3.27Å; C251-F253 PolarHBondContact O-N 3.35Å; F253-R255 PolarHBondContact O-N 3.3Å; F253-G256 PolarHBondContact O-N 2.93Å; F253-G256 VanDerWaalsContact O-N 3.09Å; F253-P258 HydrophobicContact CD1-CB 3.63Å; F253-P258 HydrophobicContact CD2-CB 4.2Å; F253-P258 HydrophobicContact CE1-CB 3.59Å; F253-P258 HydrophobicContact CE2-CB 4.15Å; F253-P258 HydrophobicContact CG-CB 3.93Å; F253-P258 HydrophobicContact CZ-CB 3.84Å
254C92.6Very high93.8Very high0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-63.1-28.5177.6-550000113.3C57 T62 C63 C64 C251C57-C254 HydrophobicContact CB-CB 3.99Å; C57-C254 VanDerWaalsContact SG-SG 3.65Å; T62-C254 CarbonylContact C-O 3.51Å; T62-C254 WeakPolarHBondContact CA-O 3.27Å; T62-C254 PolarHBondContact OG1-O 3.44Å; C63-C254 PolarHBondContact N-O 2.96Å; C64-C254 HydrophobicContact CB-CB 3.71Å; C64-C254 WeakPolarHBondContact CB-SG 3.28Å; C64-C254 WeakPolarHBondContact SG-CA 3.38Å; C64-C254 WeakPolarHBondContact SG-CB 3.41Å; C64-C254 CovalentContact SG-SG 2.04Å; C64-C254 PolarHBondContact SG-SG 3.42Å; C251-C254 PolarHBondContact O-N 2.66Å
255R91.3Very high93.7Very high84 Ų8429.1 Ų29.132%0.31716%0.162SC..THydrogen-bonded Turntrans-90.811.1175.5-147.5-167.8167.9107.218.1114.7Y59 C251 P252 F253 W424 H427Y59-R255 HydrophobicContact CE2-CB 4.25Å; C251-R255 PolarHBondContact O-N 2.89Å; P252-R255 PolarHBondContact O-N 2.7Å; F253-R255 PolarHBondContact O-N 3.3Å; R255-W424 HydrophobicContact CB-CH2 4.36Å; R255-W424 HydrophobicContact CB-CZ3 4.45Å; R255-H427 VanDerWaalsContact CD-O 3.32Å; R255-H427 WeakPolarHBondContact CD-O 3.4Å; R255-H427 PolarHBondContact NH1-O 3.32Å
256G90.3Very high93.6Very high19 Ų1929.1 Ų29.120%0.19616%0.162CC..THydrogen-bonded Turntrans71.529.1-179.600000114.3P252 F253 P258P252-G256 PolarHBondContact O-N 3.19Å; F253-G256 PolarHBondContact O-N 2.93Å; F253-G256 VanDerWaalsContact O-N 3.09Å; G256-P258 VanDerWaalsContact C-CD 3.5Å
257L90.9Very high93.6Very high45 Ų4529 Ų2924%0.23616%0.162CC..  trans-132.848.3-174.9-64.7174.4000112.7P252 G259 V260 K429P252-L257 WeakPolarHBondContact CB-O 3.46Å; P252-L257 CarbonylContact O-C 3.45Å; P252-L257 WeakPolarHBondContact O-CA 3.45Å; P252-L257 PolarHBondContact O-N 2.91Å; L257-G259 PolarHBondContact O-N 3.48Å; L257-G259 VanDerWaalsContact O-N 3.11Å; L257-V260 HydrophobicContact CB-CB 4.45Å; L257-V260 HydrophobicContact CB-CG2 3.94Å; L257-V260 HydrophobicContact CD2-CG2 4.42Å; L257-V260 PolarHBondContact O-N 3.35Å; L257-V260 VanDerWaalsContact O-N 3.1Å; L257-K429 HydrophobicContact CD1-CB 4.46Å
258P89.8Confident93.6Very high19 Ų1928 Ų2812%0.12316%0.157CC..THydrogen-bonded Turntrans-62.9-23.7-169.227.9-36.8000114.7E29 A33 F253 G256E29-P258 HydrophobicContact CB-CG 4.43Å; A33-P258 HydrophobicContact CB-CB 3.64Å; A33-P258 HydrophobicContact CB-CG 3.91Å; F253-P258 HydrophobicContact CD1-CB 3.63Å; F253-P258 HydrophobicContact CD2-CB 4.2Å; F253-P258 HydrophobicContact CE1-CB 3.59Å; F253-P258 HydrophobicContact CE2-CB 4.15Å; F253-P258 HydrophobicContact CG-CB 3.93Å; F253-P258 HydrophobicContact CZ-CB 3.84Å; G256-P258 VanDerWaalsContact C-CD 3.5Å
259G88.3Confident93.7Very high70 Ų7027.9 Ų27.972%0.72216%0.157SC*.THydrogen-bonded Turntrans-82-7.7177.800000115.7L257L257-G259 PolarHBondContact O-N 3.48Å; L257-G259 VanDerWaalsContact O-N 3.11Å
260V91.6Very high93.9Very high26 Ų2626.2 Ų26.216%0.15815%0.148CC..PPolyproline II helixtrans-87.6116.1-174.9-173.70000110.8L257 W424 K429L257-V260 HydrophobicContact CB-CB 4.45Å; L257-V260 HydrophobicContact CB-CG2 3.94Å; L257-V260 HydrophobicContact CD2-CG2 4.42Å; L257-V260 PolarHBondContact O-N 3.35Å; L257-V260 VanDerWaalsContact O-N 3.1Å; V260-W424 HydrophobicContact CG1-CB 3.81Å; V260-K429 HydrophobicContact CG1-CB 4.41Å; V260-K429 HydrophobicContact CG1-CG 3.98Å; V260-K429 HydrophobicContact CG2-CD 4.33Å; V260-K429 HydrophobicContact CG2-CG 4.46Å
261K93.4Very high94Very high85 Ų8526.1 Ų26.137%0.3715%0.148SC..PPolyproline II helixtrans-81.4150177.9-65177.9-172168.10112.1D411 T414 A415 W424K261-D411 PolarHBondContact NZ-O 3.01Å; K261-T414 WeakPolarHBondContact CD-O 3.22Å; K261-A415 HydrophobicContact CB-CB 4.2Å; K261-W424 PolarHBondContact O-N 2.97Å
262P95.2Very high94.1Very high7 Ų726.6 Ų26.65%0.04515%0.15CC..BIsolated β-bridgetrans-60.1146.5176.925.2-35.7000113.3M248 Y266 V413 T414 A415 W424M248-P262 HydrophobicContact CG-CB 3.59Å; M248-P262 HydrophobicContact CG-CG 3.88Å; M248-P262 HydrophobicContact SD-CB 4.39Å; M248-P262 HydrophobicContact SD-CG 4.46Å; P262-Y266 HydrophobicContact CB-CD1 4.04Å; P262-V413 WeakPolarHBondContact CD-O 3.39Å; P262-V413 WeakPolarHBondContact CG-O 3.41Å; P262-T414 VanDerWaalsContact O-CA 3.31Å; P262-T414 WeakPolarHBondContact O-CA 3.07Å; P262-T414 WeakPolarHBondContact O-CB 3.44Å; P262-A415 PolarHBondContact O-N 3.47Å; P262-W424 WeakPolarHBondContact CA-O 3.17Å
263C95Very high94.2Very high5 Ų526.7 Ų26.73%0.03415%0.151CC..PPolyproline II helixtrans-62.6146170.4-58.60000111.1N265 Y266 C267 C423 W424C263-N265 PolarHBondContact O-N 3.15Å; C263-Y266 WeakPolarHBondContact O-CB 3.45Å; C263-Y266 PolarHBondContact O-N 2.83Å; C263-Y266 VanDerWaalsContact O-N 3.17Å; C263-C267 PolarHBondContact O-N 2.7Å; C263-C423 WeakPolarHBondContact CA-SG 3.42Å; C263-C423 HydrophobicContact CB-CB 3.9Å; C263-C423 WeakPolarHBondContact CB-SG 3.41Å; C263-C423 VanDerWaalsContact SG-C 3.56Å; C263-C423 WeakPolarHBondContact SG-CB 3.02Å; C263-C423 CovalentContact SG-SG 2.03Å; C263-C423 PolarHBondContact SG-SG 3.22Å; C263-W424 PolarHBondContact N-O 3.07Å; C263-W424 VanDerWaalsContact SG-C 3.52Å; C263-W424 PolarHBondContact SG-O 3.01Å
264K93.9Very high94.4Very high93 Ų9327.1 Ų27.140%0.40416%0.155SC..Hα-helixtrans-56.4-50.5-176.8-171.4173.9179.8177.30113.2Y266 C267 L268 E410K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 2.9Å; K264-C267 WeakPolarHBondContact O-CB 3.49Å; K264-C267 PolarHBondContact O-N 3.49Å; K264-L268 WeakPolarHBondContact O-CG 3.47Å; K264-L268 PolarHBondContact O-N 2.96Å; K264-E410 HydrophobicContact CD-CG 4.42Å; K264-E410 WeakPolarHBondContact CE-OE1 3.49Å; K264-E410 IonicContact NZ-OE1 2.63Å; K264-E410 PolarHBondContact NZ-OE1 3.5Å
265N94.8Very high94.6Very high73 Ų7327.2 Ų27.239%0.3916%0.155SC..Hα-helixtrans-67-31.2179.5-69.1-1.1000113.1C263 L268 N269 Y432 V436C263-N265 PolarHBondContact O-N 3.15Å; N265-L268 PolarHBondContact O-N 2.82Å; N265-N269 PolarHBondContact O-N 3.35Å; N265-Y432 HydrophobicContact CB-CD1 3.72Å; N265-Y432 HydrophobicContact CB-CE1 4.16Å; N265-V436 HydrophobicContact CB-CG2 3.64Å
266Y96.5Very high94.7Very high0 Ų023.2 Ų23.20%014%0.141CC..Hα-helixtrans-63.9-47.7173.1178.8-148.6000110.7K247 M248 P262 C263 K264 L268 N269 V270 W424 G426 Y432 E449K247-Y266 VanDerWaalsContact C-OH 3.29Å; K247-Y266 WeakPolarHBondContact CD-OH 3.37Å; K247-Y266 WeakPolarHBondContact CG-OH 3.13Å; K247-Y266 PolarHBondContact O-OH 2.79Å; M248-Y266 WeakPolarHBondContact CA-OH 3.27Å; M248-Y266 HydrophobicContact CB-CE1 3.92Å; M248-Y266 HydrophobicContact CG-CD1 4.18Å; M248-Y266 HydrophobicContact CG-CE1 3.89Å; M248-Y266 PolarHBondContact N-OH 3.18Å; P262-Y266 HydrophobicContact CB-CD1 4.04Å; C263-Y266 WeakPolarHBondContact O-CB 3.45Å; C263-Y266 PolarHBondContact O-N 2.83Å; C263-Y266 VanDerWaalsContact O-N 3.17Å; K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 2.9Å; Y266-L268 VanDerWaalsContact C-N 3.35Å; Y266-L268 PolarHBondContact O-N 2.85Å; Y266-N269 PolarHBondContact O-N 3.48Å; Y266-V270 HydrophobicContact CD2-CG2 3.99Å; Y266-V270 HydrophobicContact CE2-CG2 3.58Å; Y266-V270 WeakPolarHBondContact O-CG2 3.32Å; Y266-V270 PolarHBondContact O-N 2.93Å; Y266-W424 WeakPolarHBondContact CD1-O 3.38Å; Y266-W424 AromaticContact CE1-CD1 3.69Å; Y266-W424 AromaticContact CE1-NE1 3.83Å; Y266-G426 VanDerWaalsContact CE1-CA 3.43Å; Y266-G426 VanDerWaalsContact CE1-N 3.27Å; Y266-Y432 HydrophobicContact CD2-CD2 4.19Å; Y266-Y432 AromaticContact CD2-CE2 3.59Å; Y266-Y432 HydrophobicContact CD2-CE2 3.59Å; Y266-Y432 AromaticContact CG-CD2 3.97Å; Y266-Y432 HydrophobicContact CG-CD2 3.97Å; Y266-Y432 AromaticContact CG-CE2 3.86Å; Y266-Y432 HydrophobicContact CG-CE2 3.86Å; Y266-E449 HydrophobicContact CD2-CG 3.71Å; Y266-E449 HydrophobicContact CE2-CB 4.15Å; Y266-E449 VanDerWaalsContact CE2-CD 3.43Å; Y266-E449 HydrophobicContact CE2-CG 3.58Å; Y266-E449 VanDerWaalsContact CE2-OE2 3.25Å; Y266-E449 WeakPolarHBondContact CE2-OE2 3.31Å
267C97.1Very high94.9Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-59.1-44.5174.9-178.10000112.1M248 C263 K264 N269 V270 M271 C408 T414M248-C267 VanDerWaalsContact SD-CA 3.55Å; M248-C267 HydrophobicContact SD-CB 3.84Å; C263-C267 PolarHBondContact O-N 2.7Å; K264-C267 WeakPolarHBondContact O-CB 3.49Å; K264-C267 PolarHBondContact O-N 3.49Å; C267-N269 VanDerWaalsContact C-N 3.33Å; C267-N269 PolarHBondContact O-N 2.8Å; C267-V270 PolarHBondContact O-N 2.84Å; C267-M271 WeakPolarHBondContact O-CB 3.42Å; C267-M271 VanDerWaalsContact O-CG 3.3Å; C267-M271 WeakPolarHBondContact O-CG 3.45Å; C267-M271 PolarHBondContact O-N 2.72Å; C267-C408 HydrophobicContact CB-CB 3.84Å; C267-C408 WeakPolarHBondContact CB-SG 3.23Å; C267-C408 PolarHBondContact O-SG 3.4Å; C267-C408 VanDerWaalsContact SG-CA 3.51Å; C267-C408 WeakPolarHBondContact SG-CB 3.43Å; C267-C408 CovalentContact SG-SG 2.04Å; C267-C408 PolarHBondContact SG-SG 3.06Å; C267-T414 HydrophobicContact CB-CG2 3.48Å; C267-T414 VanDerWaalsContact CB-CG2 3.48Å
268L97.1Very high95.1Very high13 Ų1321.9 Ų21.97%0.06813%0.129CC..Hα-helixtrans-60.1-40.7177.5-68.1173.2000112.4K264 N265 Y266 K272 P404 E405 C408 V436K264-L268 WeakPolarHBondContact O-CG 3.47Å; K264-L268 PolarHBondContact O-N 2.96Å; N265-L268 PolarHBondContact O-N 2.82Å; Y266-L268 VanDerWaalsContact C-N 3.35Å; Y266-L268 PolarHBondContact O-N 2.85Å; L268-K272 VanDerWaalsContact O-CB 3.29Å; L268-K272 WeakPolarHBondContact O-CB 3.41Å; L268-K272 VanDerWaalsContact O-CG 3.27Å; L268-K272 WeakPolarHBondContact O-CG 3.5Å; L268-K272 PolarHBondContact O-N 2.93Å; L268-P404 HydrophobicContact CD2-CB 3.97Å; L268-E405 HydrophobicContact CD2-CB 4.45Å; L268-E405 HydrophobicContact CD2-CG 3.91Å; L268-C408 HydrophobicContact CD2-CB 4.15Å; L268-V436 HydrophobicContact CB-CG1 3.81Å; L268-V436 HydrophobicContact CB-CG2 4.29Å; L268-V436 HydrophobicContact CD1-CG1 4.3Å; L268-V436 HydrophobicContact CD1-CG2 4.22Å
269N97.8Very high95.3Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-66.6-41.7175.9-85.3-17.8000112.9N265 Y266 C267 G273 Y432 E435 V436 Q437 N447 E449N265-N269 PolarHBondContact O-N 3.35Å; Y266-N269 PolarHBondContact O-N 3.48Å; C267-N269 VanDerWaalsContact C-N 3.33Å; C267-N269 PolarHBondContact O-N 2.8Å; N269-G273 PolarHBondContact O-N 3.47Å; N269-Y432 PolarHBondContact ND2-OH 3.09Å; N269-E435 PolarHBondContact ND2-O 2.82Å; N269-E435 PolarHBondContact OD1-O 2.72Å; N269-V436 VanDerWaalsContact OD1-CA 3.3Å; N269-V436 WeakPolarHBondContact OD1-CA 3.19Å; N269-Q437 PolarHBondContact OD1-N 3.15Å; N269-N447 PolarHBondContact O-ND2 3.35Å; N269-E449 HydrophobicContact CB-CG 4.06Å
270V97.9Very high95.6Very high0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-63.7-48175174.50000110.9L245 M248 Y266 C267 G273 C274 E449 V450L245-V270 HydrophobicContact CD2-CG1 3.89Å; L245-V270 HydrophobicContact CG-CG1 4.22Å; M248-V270 HydrophobicContact CB-CG2 4.28Å; M248-V270 HydrophobicContact CE-CG1 4.24Å; M248-V270 HydrophobicContact SD-CB 3.85Å; M248-V270 HydrophobicContact SD-CG1 4.02Å; M248-V270 HydrophobicContact SD-CG2 4.05Å; Y266-V270 HydrophobicContact CD2-CG2 3.99Å; Y266-V270 HydrophobicContact CE2-CG2 3.58Å; Y266-V270 WeakPolarHBondContact O-CG2 3.32Å; Y266-V270 PolarHBondContact O-N 2.93Å; C267-V270 PolarHBondContact O-N 2.84Å; V270-G273 PolarHBondContact O-N 2.87Å; V270-C274 WeakPolarHBondContact O-CB 3.34Å; V270-C274 PolarHBondContact O-N 2.82Å; V270-C274 PolarHBondContact O-SG 3.18Å; V270-E449 HydrophobicContact CG2-CB 3.72Å; V270-E449 HydrophobicContact CG2-CG 4.14Å; V270-V450 HydrophobicContact CG1-CG2 4.43Å
271M97.4Very high95.8Very high3 Ų318.2 Ų18.22%0.0159%0.092CC..Hα-helixtrans-66.7-41.1-179-66.3-57-171.800112.7F80 L83 L245 M248 C267 G273 C274 L275 P404 M407 C408F80-M271 HydrophobicContact CD2-CE 4.29Å; F80-M271 HydrophobicContact CD2-SD 3.73Å; F80-M271 HydrophobicContact CE2-SD 3.66Å; L83-M271 HydrophobicContact CD2-CE 4.17Å; L245-M271 HydrophobicContact CD2-CE 4.37Å; L245-M271 HydrophobicContact CD2-SD 4.23Å; M248-M271 HydrophobicContact CE-CE 4.08Å; C267-M271 WeakPolarHBondContact O-CB 3.42Å; C267-M271 VanDerWaalsContact O-CG 3.3Å; C267-M271 WeakPolarHBondContact O-CG 3.45Å; C267-M271 PolarHBondContact O-N 2.72Å; M271-G273 VanDerWaalsContact C-N 3.32Å; M271-G273 PolarHBondContact O-N 2.68Å; M271-C274 PolarHBondContact O-N 2.85Å; M271-L275 VanDerWaalsContact O-CB 3.31Å; M271-L275 WeakPolarHBondContact O-CB 3.5Å; M271-L275 WeakPolarHBondContact O-CG 3.49Å; M271-L275 PolarHBondContact O-N 3.42Å; M271-P404 HydrophobicContact CB-CB 3.86Å; M271-P404 HydrophobicContact CB-CG 4.46Å; M271-M407 HydrophobicContact CE-CB 4.23Å; M271-M407 HydrophobicContact CE-CE 4.3Å; M271-M407 HydrophobicContact SD-CE 4.21Å; M271-C408 WeakPolarHBondContact CG-SG 3.06Å
272K97.4Very high96Very high10 Ų1015.1 Ų15.14%0.0438%0.079CC..Hα-helixtrans-66.2-32.9175-72.3176-162.9-77.60112.3L268 A276 P404 E405 V436 Q437 D439L268-K272 VanDerWaalsContact O-CB 3.29Å; L268-K272 WeakPolarHBondContact O-CB 3.41Å; L268-K272 VanDerWaalsContact O-CG 3.27Å; L268-K272 WeakPolarHBondContact O-CG 3.5Å; L268-K272 PolarHBondContact O-N 2.93Å; K272-A276 WeakPolarHBondContact O-CA 3.29Å; K272-A276 PolarHBondContact O-N 3.47Å; K272-P404 HydrophobicContact CG-CB 3.81Å; K272-P404 HydrophobicContact CG-CG 3.52Å; K272-E405 VanDerWaalsContact CE-OE1 3.27Å; K272-E405 WeakPolarHBondContact CE-OE1 3.25Å; K272-E405 IonicContact NZ-OE1 2.72Å; K272-E405 PolarHBondContact NZ-OE1 3.19Å; K272-E405 IonicContact NZ-OE2 2.67Å; K272-V436 HydrophobicContact CD-CG1 4.06Å; K272-Q437 WeakPolarHBondContact CD-O 3.44Å; K272-D439 IonicContact NZ-OD1 2.78Å; K272-D439 PolarHBondContact NZ-OD1 2.99Å; K272-D439 IonicContact NZ-OD2 3.85Å
273G96.7Very high96Very high4 Ų418.8 Ų18.84%0.04110%0.104CC..Hα-helixtrans-67.3-41.7170.600000113.3N269 V270 M271 V452N269-G273 PolarHBondContact O-N 3.47Å; V270-G273 PolarHBondContact O-N 2.87Å; M271-G273 VanDerWaalsContact C-N 3.32Å; M271-G273 PolarHBondContact O-N 2.68Å; G273-V452 WeakPolarHBondContact O-CG2 3.41Å
274C96.8Very high96Very high13 Ų1320 Ų209%0.08811%0.109CC..Hα-helixtrans-67.9-43.1175.8-78.60000113.6F80 C241 V270 M271 A276F80-C274 HydrophobicContact CE2-CB 3.99Å; F80-C274 HydrophobicContact CZ-CB 3.91Å; C241-C274 VanDerWaalsContact CA-SG 3.52Å; C241-C274 HydrophobicContact CB-CB 3.94Å; C241-C274 WeakPolarHBondContact CB-SG 3.19Å; C241-C274 WeakPolarHBondContact SG-CB 3.24Å; C241-C274 CovalentContact SG-SG 2.03Å; C241-C274 PolarHBondContact SG-SG 3.31Å; V270-C274 WeakPolarHBondContact O-CB 3.34Å; V270-C274 PolarHBondContact O-N 2.82Å; V270-C274 PolarHBondContact O-SG 3.18Å; M271-C274 PolarHBondContact O-N 2.85Å; C274-A276 VanDerWaalsContact C-N 3.35Å
275L96.4Very high96.1Very high2 Ų215.6 Ų15.61%0.019%0.09CC..THydrogen-bonded Turntrans-95.916.3-174-63.6169.4000113.2F80 L84 M271 N277 Q278 A279 L403 P404 M407F80-L275 HydrophobicContact CE2-CD2 4.46Å; F80-L275 HydrophobicContact CE2-CG 4.4Å; F80-L275 HydrophobicContact CZ-CD2 3.81Å; F80-L275 HydrophobicContact CZ-CG 4.13Å; L84-L275 HydrophobicContact CD1-CD2 4.35Å; L84-L275 HydrophobicContact CD2-CD2 4.47Å; M271-L275 VanDerWaalsContact O-CB 3.31Å; M271-L275 WeakPolarHBondContact O-CB 3.5Å; M271-L275 WeakPolarHBondContact O-CG 3.49Å; M271-L275 PolarHBondContact O-N 3.42Å; L275-N277 VanDerWaalsContact C-N 3.3Å; L275-N277 PolarHBondContact O-N 3.26Å; L275-Q278 HydrophobicContact CB-CB 4.41Å; L275-Q278 HydrophobicContact CD2-CB 4.42Å; L275-Q278 HydrophobicContact CD2-CG 4.17Å; L275-Q278 WeakPolarHBondContact O-CB 3.22Å; L275-Q278 PolarHBondContact O-N 2.94Å; L275-Q278 PolarHBondContact O-OE1 3.45Å; L275-A279 PolarHBondContact O-N 3.41Å; L275-L403 HydrophobicContact CD1-CB 3.73Å; L275-L403 HydrophobicContact CD1-CD1 4.31Å; L275-L403 HydrophobicContact CD2-CD1 4.49Å; L275-P404 HydrophobicContact CD1-CG 4.42Å; L275-M407 HydrophobicContact CD1-SD 3.89Å
276A95.1Very high96.2Very high1 Ų113.8 Ų13.81%0.0088%0.08CC..Hα-helixtrans-53.8-42.5-173.200000113.5K272 C274 G440 L441 Q444 V452K272-A276 WeakPolarHBondContact O-CA 3.29Å; K272-A276 PolarHBondContact O-N 3.47Å; C274-A276 VanDerWaalsContact C-N 3.35Å; A276-G440 CarbonylContact O-C 3.58Å; A276-L441 HydrophobicContact CB-CD1 4.06Å; A276-L441 PolarHBondContact O-N 3.24Å; A276-L441 VanDerWaalsContact O-N 3.16Å; A276-Q444 HydrophobicContact CB-CG 3.54Å; A276-V452 HydrophobicContact CB-CG1 4.31Å
277N93.4Very high96.1Very high25 Ų2519 Ų1913%0.13410%0.104CC..Hα-helixtrans-75.2-37.9177.7-69.4-82.3000111.5L275 A279 D280 D458 I461L275-N277 VanDerWaalsContact C-N 3.3Å; L275-N277 PolarHBondContact O-N 3.26Å; N277-A279 VanDerWaalsContact C-N 3.28Å; N277-A279 PolarHBondContact O-N 3.16Å; N277-D280 WeakPolarHBondContact O-CB 3.35Å; N277-D280 PolarHBondContact O-N 3Å; N277-D280 VanDerWaalsContact O-N 3.14Å; N277-D458 HydrophobicContact CB-CB 4.13Å; N277-D458 PolarHBondContact OD1-N 3.02Å; N277-I461 HydrophobicContact CB-CB 4.43Å; N277-I461 HydrophobicContact CB-CG1 4.01Å; N277-I461 HydrophobicContact CB-CG2 4.19Å; N277-I461 WeakPolarHBondContact O-CG2 3.34Å
278Q94.6Very high96Very high11 Ų1119 Ų195%0.05110%0.104CC..Hα-helixtrans-62.4-37.9177.6-6881.2-16.800111V232 L275 D280 L281 W400 I461V232-Q278 HydrophobicContact CG1-CB 4.22Å; V232-Q278 HydrophobicContact CG1-CG 3.73Å; L275-Q278 HydrophobicContact CB-CB 4.41Å; L275-Q278 HydrophobicContact CD2-CB 4.42Å; L275-Q278 HydrophobicContact CD2-CG 4.17Å; L275-Q278 WeakPolarHBondContact O-CB 3.22Å; L275-Q278 PolarHBondContact O-N 2.94Å; L275-Q278 PolarHBondContact O-OE1 3.45Å; Q278-D280 VanDerWaalsContact C-N 3.29Å; Q278-D280 PolarHBondContact O-N 3.3Å; Q278-L281 WeakPolarHBondContact O-CB 3.32Å; Q278-L281 WeakPolarHBondContact O-CD1 3.49Å; Q278-L281 PolarHBondContact O-N 2.95Å; Q278-L281 VanDerWaalsContact O-N 3.15Å; Q278-W400 HydrophobicContact CB-CE3 4.32Å; Q278-W400 WeakPolarHBondContact O-CB 3.34Å; Q278-I461 HydrophobicContact CG-CD1 4.26Å
279A95.3Very high95.8Very high10 Ų1018.4 Ų18.48%0.08310%0.101CC..Hα-helixtrans-65.8-25.7175.500000113.8L275 N277 L281 D282 D439 G440L275-A279 PolarHBondContact O-N 3.41Å; N277-A279 VanDerWaalsContact C-N 3.28Å; N277-A279 PolarHBondContact O-N 3.16Å; A279-L281 PolarHBondContact O-N 3.17Å; A279-D282 WeakPolarHBondContact O-CB 3.33Å; A279-D282 PolarHBondContact O-N 2.78Å; A279-D439 HydrophobicContact CB-CB 4.21Å; A279-G440 VanDerWaalsContact CB-N 3.29Å
280D95Very high95.5Very high27 Ų2719.6 Ų19.614%0.14411%0.111CC..THydrogen-bonded Turntrans-64.3-17.4173-78.21.8000112.8N277 Q278 D282 G440 L441 R462 I465N277-D280 WeakPolarHBondContact O-CB 3.35Å; N277-D280 PolarHBondContact O-N 3Å; N277-D280 VanDerWaalsContact O-N 3.14Å; Q278-D280 VanDerWaalsContact C-N 3.29Å; Q278-D280 PolarHBondContact O-N 3.3Å; D280-D282 VanDerWaalsContact C-N 3.34Å; D280-G440 WeakPolarHBondContact OD1-CA 3.29Å; D280-L441 PolarHBondContact OD1-N 3.31Å; D280-L441 WeakPolarHBondContact OD2-CB 3.3Å; D280-R462 IonicContact OD2-CZ 3.85Å; D280-R462 IonicContact OD2-NE 2.78Å; D280-R462 IonicContact OD2-NH2 2.91Å; D280-R462 PolarHBondContact OD2-NH2 2.88Å; D280-I465 HydrophobicContact CB-CD1 4.09Å
281L95.7Very high95Very high0 Ų020.6 Ų20.60%012%0.117CC..THydrogen-bonded Turntrans-72-25.4171.3-73.499.9000113V228 V232 Q278 A279 P283 E284 W285 W400 I461 Q464 I465 L468V228-L281 HydrophobicContact CG1-CD2 3.69Å; V232-L281 HydrophobicContact CG1-CD1 3.85Å; V232-L281 HydrophobicContact CG2-CD1 4.22Å; V232-L281 HydrophobicContact CG2-CD2 3.76Å; Q278-L281 WeakPolarHBondContact O-CB 3.32Å; Q278-L281 WeakPolarHBondContact O-CD1 3.49Å; Q278-L281 PolarHBondContact O-N 2.95Å; Q278-L281 VanDerWaalsContact O-N 3.15Å; A279-L281 PolarHBondContact O-N 3.17Å; L281-P283 VanDerWaalsContact C-CD 3.48Å; L281-E284 PolarHBondContact O-N 3.38Å; L281-W285 WeakPolarHBondContact O-CB 3.44Å; L281-W285 PolarHBondContact O-N 3.33Å; L281-W400 HydrophobicContact CB-CG 4.12Å; L281-I461 HydrophobicContact CD1-CD1 3.79Å; L281-I461 HydrophobicContact CD1-CG2 3.83Å; L281-Q464 HydrophobicContact CD2-CB 4.23Å; L281-I465 HydrophobicContact CG-CD1 4.42Å; L281-I465 HydrophobicContact CG-CG1 3.89Å; L281-L468 HydrophobicContact CD2-CD1 4.01Å
282D95.8Very high94.3Very high20 Ų2020.4 Ų20.411%0.10712%0.116CC..Hα-helixtrans-56.3-41.5-164.2-162.688.3000114.9A279 D280 N286 K398 W400 S401A279-D282 WeakPolarHBondContact O-CB 3.33Å; A279-D282 PolarHBondContact O-N 2.78Å; D280-D282 VanDerWaalsContact C-N 3.34Å; D282-N286 VanDerWaalsContact O-CB 3.31Å; D282-N286 WeakPolarHBondContact O-CB 3.26Å; D282-N286 VanDerWaalsContact O-CG 3.27Å; D282-N286 PolarHBondContact O-N 2.98Å; D282-N286 PolarHBondContact O-ND2 2.9Å; D282-N286 PolarHBondContact OD2-ND2 3.34Å; D282-K398 VanDerWaalsContact OD1-C 3.3Å; D282-K398 VanDerWaalsContact OD1-CA 3.3Å; D282-K398 WeakPolarHBondContact OD1-CA 3.34Å; D282-W400 HydrophobicContact CB-CB 4.23Å; D282-S401 WeakPolarHBondContact OD1-CB 3.42Å; D282-S401 PolarHBondContact OD1-N 2.91Å; D282-S401 PolarHBondContact OD1-OG 3.06Å; D282-S401 PolarHBondContact OD2-OG 2.86Å
283P95.6Very high93.7Very high85 Ų8520.9 Ų20.955%0.55212%0.12SC*.Hα-helixtrans-63.8-47.2177.5-20.733.4000112.6L281 N286 Q287L281-P283 VanDerWaalsContact C-CD 3.48Å; P283-N286 PolarHBondContact O-N 2.87Å; P283-Q287 PolarHBondContact O-N 3.41Å
284E95.5Very high92.9Very high31 Ų3124.3 Ų24.315%0.14514%0.137CC..Hα-helixtrans-73.5-35.5-176.1-59.9-70.6170.100111L281 Q287 Y288 I465 L468 R469L281-E284 PolarHBondContact O-N 3.38Å; E284-Q287 PolarHBondContact O-N 3.43Å; E284-Y288 WeakPolarHBondContact O-CB 3.4Å; E284-Y288 PolarHBondContact O-N 3.1Å; E284-I465 HydrophobicContact CG-CG2 4.09Å; E284-L468 HydrophobicContact CB-CD1 4.47Å; E284-R469 IonicContact OE1-CZ 2.83Å; E284-R469 IonicContact OE1-NE 3.99Å; E284-R469 PolarHBondContact OE1-NE 3.43Å; E284-R469 IonicContact OE1-NH2 3.18Å; E284-R469 PolarHBondContact OE1-NH2 2.95Å; E284-R469 WeakPolarHBondContact OE2-CG 3.45Å; E284-R469 IonicContact OE2-NE 2.85Å; E284-R469 PolarHBondContact OE2-NE 2.98Å
285W97Very high91.8Very high0 Ų024.1 Ų24.10%014%0.137CC..Hα-helixtrans-64.1-45.5170.6179.5-100.4000111.4L91 F95 V228 L281 Q287 Y288 I289 S396 W400 L468L91-W285 HydrophobicContact CD1-CZ2 4.06Å; L91-W285 HydrophobicContact CD2-CZ2 4.22Å; F95-W285 HydrophobicContact CD2-CH2 4.45Å; F95-W285 AromaticContact CE2-CH2 3.68Å; F95-W285 HydrophobicContact CE2-CH2 3.68Å; F95-W285 AromaticContact CE2-CZ2 3.82Å; F95-W285 HydrophobicContact CE2-CZ2 3.82Å; F95-W285 AromaticContact CZ-CH2 3.77Å; F95-W285 HydrophobicContact CZ-CH2 3.77Å; F95-W285 HydrophobicContact CZ-CZ2 4.09Å; V228-W285 HydrophobicContact CB-CZ3 4.44Å; V228-W285 HydrophobicContact CG1-CE3 4.31Å; V228-W285 HydrophobicContact CG1-CZ3 4.14Å; L281-W285 WeakPolarHBondContact O-CB 3.44Å; L281-W285 PolarHBondContact O-N 3.33Å; W285-Q287 VanDerWaalsContact C-N 3.34Å; W285-Q287 PolarHBondContact O-N 2.9Å; W285-Y288 HydrophobicContact CD2-CD1 4.41Å; W285-Y288 AromaticContact CE3-CD1 3.96Å; W285-Y288 HydrophobicContact CE3-CD1 3.96Å; W285-Y288 HydrophobicContact CE3-CE1 4.26Å; W285-Y288 HydrophobicContact CH2-CE1 4.15Å; W285-Y288 HydrophobicContact CZ3-CD1 4.06Å; W285-Y288 AromaticContact CZ3-CE1 3.88Å; W285-Y288 HydrophobicContact CZ3-CE1 3.88Å; W285-Y288 PolarHBondContact O-N 3.35Å; W285-I289 HydrophobicContact CD2-CG1 4.18Å; W285-I289 HydrophobicContact CG-CG1 4.38Å; W285-I289 HydrophobicContact CH2-CD1 4.26Å; W285-I289 HydrophobicContact CZ2-CD1 3.67Å; W285-I289 HydrophobicContact CZ2-CG1 4.06Å; W285-I289 WeakPolarHBondContact O-CB 3.46Å; W285-I289 VanDerWaalsContact O-CG1 3.23Å; W285-I289 WeakPolarHBondContact O-CG1 3.43Å; W285-I289 PolarHBondContact O-N 2.96Å; W285-S396 PolarHBondContact NE1-O 3.16Å; W285-W400 AromaticContact CD1-CD1 3.69Å; W285-W400 AromaticContact CD1-NE1 3.86Å; W285-W400 AromaticContact CD2-CD1 3.94Å; W285-W400 AromaticContact CD2-NE1 3.35Å; W285-W400 AromaticContact CE2-NE1 3.84Å; W285-W400 AromaticContact CE3-NE1 3.7Å; W285-W400 AromaticContact CG-CD1 3.46Å; W285-W400 VanDerWaalsContact CG-CD1 3.46Å; W285-W400 AromaticContact CG-NE1 3.42Å; W285-L468 HydrophobicContact CB-CD1 4.26Å; W285-L468 HydrophobicContact CE3-CD1 4.05Å; W285-L468 HydrophobicContact CE3-CD2 3.86Å; W285-L468 HydrophobicContact CZ3-CD2 4.13Å
286N95.6Very high90.4Very high35 Ų3524.1 Ų24.119%0.18714%0.137CC..Hα-helixtrans-64.5-38.5176.2-78.5-47.6000112.4D282 P283 A290 K397 K398D282-N286 VanDerWaalsContact O-CB 3.31Å; D282-N286 WeakPolarHBondContact O-CB 3.26Å; D282-N286 VanDerWaalsContact O-CG 3.27Å; D282-N286 PolarHBondContact O-N 2.98Å; D282-N286 PolarHBondContact O-ND2 2.9Å; D282-N286 PolarHBondContact OD2-ND2 3.34Å; P283-N286 PolarHBondContact O-N 2.87Å; N286-A290 VanDerWaalsContact O-CB 3.31Å; N286-A290 WeakPolarHBondContact O-CB 3.42Å; N286-A290 PolarHBondContact O-N 3.01Å; N286-K397 WeakPolarHBondContact OD1-CA 3.27Å; N286-K398 PolarHBondContact OD1-N 3.39Å
287Q94.3Very high89Confident109 Ų10926 Ų2651%0.50915%0.146SC..Hα-helixtrans-68.5-40.8175.2-173.4173.4-18.100111.9P283 E284 W285 A290 T291 T472P283-Q287 PolarHBondContact O-N 3.41Å; E284-Q287 PolarHBondContact O-N 3.43Å; W285-Q287 VanDerWaalsContact C-N 3.34Å; W285-Q287 PolarHBondContact O-N 2.9Å; Q287-A290 PolarHBondContact O-N 3.45Å; Q287-T291 WeakPolarHBondContact O-CB 3.32Å; Q287-T291 PolarHBondContact O-N 2.95Å; Q287-T291 PolarHBondContact O-OG1 2.81Å; Q287-T472 HydrophobicContact CG-CG2 4.17Å
288Y95.2Very high87.4Confident0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-59.7-52.2171.3160-98.5000111.2F95 G221 G225 E284 W285 A290 T291 V292 L468 M471 T472 L475F95-Y288 HydrophobicContact CE1-CE1 4.4Å; F95-Y288 WeakPolarHBondContact CE1-OH 3.47Å; F95-Y288 HydrophobicContact CZ-CE1 4.26Å; G221-Y288 PolarHBondContact O-OH 2.93Å; G225-Y288 WeakPolarHBondContact CA-OH 3.32Å; G225-Y288 PolarHBondContact N-OH 3.29Å; E284-Y288 WeakPolarHBondContact O-CB 3.4Å; E284-Y288 PolarHBondContact O-N 3.1Å; W285-Y288 HydrophobicContact CD2-CD1 4.41Å; W285-Y288 AromaticContact CE3-CD1 3.96Å; W285-Y288 HydrophobicContact CE3-CD1 3.96Å; W285-Y288 HydrophobicContact CE3-CE1 4.26Å; W285-Y288 HydrophobicContact CH2-CE1 4.15Å; W285-Y288 HydrophobicContact CZ3-CD1 4.06Å; W285-Y288 AromaticContact CZ3-CE1 3.88Å; W285-Y288 HydrophobicContact CZ3-CE1 3.88Å; W285-Y288 PolarHBondContact O-N 3.35Å; Y288-A290 VanDerWaalsContact C-N 3.31Å; Y288-A290 PolarHBondContact O-N 3.47Å; Y288-T291 PolarHBondContact O-N 3.22Å; Y288-T291 VanDerWaalsContact O-N 3.15Å; Y288-V292 HydrophobicContact CD2-CG2 3.8Å; Y288-V292 HydrophobicContact CE1-CG2 4.26Å; Y288-V292 HydrophobicContact CE2-CG2 3.39Å; Y288-V292 HydrophobicContact CG-CG2 4.39Å; Y288-V292 WeakPolarHBondContact O-CB 3.33Å; Y288-V292 WeakPolarHBondContact O-CG2 3.36Å; Y288-V292 PolarHBondContact O-N 2.74Å; Y288-L468 HydrophobicContact CD1-CD2 3.78Å; Y288-L468 HydrophobicContact CD2-CD2 4.02Å; Y288-L468 HydrophobicContact CE1-CD2 4.26Å; Y288-L468 HydrophobicContact CE2-CD2 4.45Å; Y288-L468 HydrophobicContact CG-CD2 3.68Å; Y288-M471 HydrophobicContact CE2-CG 4.38Å; Y288-T472 WeakPolarHBondContact CA-OG1 3.32Å; Y288-T472 WeakPolarHBondContact CB-OG1 3.44Å; Y288-L475 HydrophobicContact CD2-CD1 4.47Å; Y288-L475 HydrophobicContact CE2-CD1 4.41Å
289I94.2Very high85.7Confident0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-61.3-39.5179.4-67.2-68.6000111.2F95 W285 T293 L393 K397F95-I289 HydrophobicContact CE2-CD1 4.38Å; F95-I289 HydrophobicContact CZ-CD1 3.78Å; W285-I289 HydrophobicContact CD2-CG1 4.18Å; W285-I289 HydrophobicContact CG-CG1 4.38Å; W285-I289 HydrophobicContact CH2-CD1 4.26Å; W285-I289 HydrophobicContact CZ2-CD1 3.67Å; W285-I289 HydrophobicContact CZ2-CG1 4.06Å; W285-I289 WeakPolarHBondContact O-CB 3.46Å; W285-I289 VanDerWaalsContact O-CG1 3.23Å; W285-I289 WeakPolarHBondContact O-CG1 3.43Å; W285-I289 PolarHBondContact O-N 2.96Å; I289-T293 WeakPolarHBondContact O-CB 3.4Å; I289-T293 PolarHBondContact O-N 3.38Å; I289-T293 PolarHBondContact O-OG1 3.14Å; I289-L393 HydrophobicContact CD1-CD2 3.77Å; I289-L393 HydrophobicContact CG2-CB 4.26Å; I289-L393 VanDerWaalsContact CG2-O 3.29Å; I289-L393 WeakPolarHBondContact CG2-O 3.33Å; I289-K397 HydrophobicContact CB-CG 4.28Å; I289-K397 HydrophobicContact CG2-CD 4.26Å; I289-K397 HydrophobicContact CG2-CG 3.52Å
290A90.4Very high83.8Confident25 Ų2526.6 Ų26.621%0.20715%0.152CC..Hα-helixtrans-61-53.817200000111N286 Q287 Y288 V292 T293 D294N286-A290 VanDerWaalsContact O-CB 3.31Å; N286-A290 WeakPolarHBondContact O-CB 3.42Å; N286-A290 PolarHBondContact O-N 3.01Å; Q287-A290 PolarHBondContact O-N 3.45Å; Y288-A290 VanDerWaalsContact C-N 3.31Å; Y288-A290 PolarHBondContact O-N 3.47Å; A290-V292 VanDerWaalsContact C-N 3.32Å; A290-V292 PolarHBondContact O-N 2.88Å; A290-T293 CarbonylContact O-C 3.52Å; A290-T293 WeakPolarHBondContact O-CA 3.36Å; A290-T293 VanDerWaalsContact O-CB 3.29Å; A290-T293 WeakPolarHBondContact O-CB 3.44Å; A290-T293 PolarHBondContact O-N 3.49Å; A290-D294 PolarHBondContact O-N 2.8Å
291T86.6Confident81.7Confident21 Ų2132 Ų3213%0.12918%0.176CC..Hα-helixtrans-64.3-33-177.4-50.40000112.7Q287 Y288 D294 A295 T472 L475 R476Q287-T291 WeakPolarHBondContact O-CB 3.32Å; Q287-T291 PolarHBondContact O-N 2.95Å; Q287-T291 PolarHBondContact O-OG1 2.81Å; Y288-T291 PolarHBondContact O-N 3.22Å; Y288-T291 VanDerWaalsContact O-N 3.15Å; T291-D294 PolarHBondContact O-N 3.18Å; T291-A295 WeakPolarHBondContact O-CB 3.49Å; T291-A295 PolarHBondContact O-N 3.06Å; T291-T472 HydrophobicContact CG2-CG2 4.11Å; T291-T472 WeakPolarHBondContact OG1-CG2 3.31Å; T291-L475 HydrophobicContact CG2-CB 3.91Å; T291-R476 HydrophobicContact CG2-CB 4.32Å
292V84.1Confident79.6Confident0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-67.4-42.9169.8173.50000110.7F218 L222 Y288 A290 D294 A295 M296 L393 L475F218-V292 HydrophobicContact CE2-CG1 4.26Å; L222-V292 HydrophobicContact CD2-CG1 4.16Å; Y288-V292 HydrophobicContact CD2-CG2 3.8Å; Y288-V292 HydrophobicContact CE1-CG2 4.26Å; Y288-V292 HydrophobicContact CE2-CG2 3.39Å; Y288-V292 HydrophobicContact CG-CG2 4.39Å; Y288-V292 WeakPolarHBondContact O-CB 3.33Å; Y288-V292 WeakPolarHBondContact O-CG2 3.36Å; Y288-V292 PolarHBondContact O-N 2.74Å; A290-V292 VanDerWaalsContact C-N 3.32Å; A290-V292 PolarHBondContact O-N 2.88Å; V292-D294 VanDerWaalsContact C-N 3.28Å; V292-D294 PolarHBondContact O-N 3.16Å; V292-A295 PolarHBondContact O-N 3.11Å; V292-M296 HydrophobicContact CG1-CG 4.43Å; V292-M296 HydrophobicContact CG1-SD 3.76Å; V292-M296 VanDerWaalsContact O-CB 3.3Å; V292-M296 WeakPolarHBondContact O-CB 3.27Å; V292-M296 WeakPolarHBondContact O-CG 3.04Å; V292-M296 PolarHBondContact O-N 2.87Å; V292-L393 HydrophobicContact CB-CD1 4.49Å; V292-L393 HydrophobicContact CG1-CD1 3.6Å; V292-L475 HydrophobicContact CG2-CD1 3.47Å; V292-L475 VanDerWaalsContact CG2-CD1 3.47Å
293T84.3Confident77.1Confident19 Ų1935.6 Ų35.612%0.11719%0.19CC..Hα-helixtrans-60.9-39.2175.3-54.40000111.3I289 A290 M296 L297 K390I289-T293 WeakPolarHBondContact O-CB 3.4Å; I289-T293 PolarHBondContact O-N 3.38Å; I289-T293 PolarHBondContact O-OG1 3.14Å; A290-T293 CarbonylContact O-C 3.52Å; A290-T293 WeakPolarHBondContact O-CA 3.36Å; A290-T293 VanDerWaalsContact O-CB 3.29Å; A290-T293 WeakPolarHBondContact O-CB 3.44Å; A290-T293 PolarHBondContact O-N 3.49Å; T293-M296 WeakPolarHBondContact O-CB 3.41Å; T293-M296 PolarHBondContact O-N 2.88Å; T293-L297 WeakPolarHBondContact O-CG 3.22Å; T293-L297 PolarHBondContact O-N 2.99Å; T293-K390 HydrophobicContact CG2-CG 4.27Å
294D79.4Confident74.6Confident77 Ų7741.1 Ų41.141%0.41221%0.209SC..Hα-helixtrans-77.1-35.6-179.5-58.2-28.7000111.8A290 T291 V292 L297 L298A290-D294 PolarHBondContact O-N 2.8Å; T291-D294 PolarHBondContact O-N 3.18Å; V292-D294 VanDerWaalsContact C-N 3.28Å; V292-D294 PolarHBondContact O-N 3.16Å; D294-L297 CarbonylContact O-C 3.52Å; D294-L297 WeakPolarHBondContact O-CB 3.46Å; D294-L297 PolarHBondContact O-N 2.65Å; D294-L298 PolarHBondContact O-N 3.41Å
295A73.8Confident72.6Confident9 Ų940.6 Ų40.67%0.07421%0.211CC..Hα-helixtrans-67.7-34.8170.100000112.2T291 V292 L297 L298 V299 L475T291-A295 WeakPolarHBondContact O-CB 3.49Å; T291-A295 PolarHBondContact O-N 3.06Å; V292-A295 PolarHBondContact O-N 3.11Å; A295-L297 VanDerWaalsContact C-N 3.35Å; A295-L298 WeakPolarHBondContact O-CA 3.36Å; A295-L298 WeakPolarHBondContact O-CB 3.32Å; A295-L298 PolarHBondContact O-N 3.41Å; A295-L298 VanDerWaalsContact O-N 3.1Å; A295-V299 PolarHBondContact O-N 3.11Å; A295-L475 HydrophobicContact CB-CB 4.46Å; A295-L475 HydrophobicContact CB-CD2 3.9Å
296M68.3Low70.5Confident2 Ų244.4 Ų44.41%0.0124%0.236CC..Hα-helixtrans-66.8-36.2168.9-77.7164.944.300112.1F218 V292 T293 L298 V299 A300 V386 I389 K390 L393F218-M296 HydrophobicContact CD2-CG 3.79Å; F218-M296 HydrophobicContact CE2-CG 3.15Å; F218-M296 HydrophobicContact CE2-SD 3.55Å; F218-M296 VanDerWaalsContact CE2-SD 3.55Å; F218-M296 HydrophobicContact CZ-CG 3.59Å; F218-M296 HydrophobicContact CZ-SD 3.96Å; V292-M296 HydrophobicContact CG1-CG 4.43Å; V292-M296 HydrophobicContact CG1-SD 3.76Å; V292-M296 VanDerWaalsContact O-CB 3.3Å; V292-M296 WeakPolarHBondContact O-CB 3.27Å; V292-M296 WeakPolarHBondContact O-CG 3.04Å; V292-M296 PolarHBondContact O-N 2.87Å; T293-M296 WeakPolarHBondContact O-CB 3.41Å; T293-M296 PolarHBondContact O-N 2.88Å; M296-L298 PolarHBondContact O-N 2.72Å; M296-V299 PolarHBondContact O-N 3.15Å; M296-A300 WeakPolarHBondContact O-CB 3.34Å; M296-A300 PolarHBondContact O-N 2.89Å; M296-V386 HydrophobicContact CB-CG1 4.12Å; M296-V386 HydrophobicContact CE-CG1 4.23Å; M296-I389 HydrophobicContact CE-CB 4.15Å; M296-I389 HydrophobicContact CE-CG1 4.16Å; M296-I389 HydrophobicContact CE-CG2 3.29Å; M296-I389 HydrophobicContact SD-CD1 4.21Å; M296-I389 HydrophobicContact SD-CG1 4.31Å; M296-I389 HydrophobicContact SD-CG2 4.08Å; M296-K390 HydrophobicContact CE-CB 3.78Å; M296-L393 HydrophobicContact CE-CD1 3.95Å; M296-L393 HydrophobicContact SD-CD1 3.35Å; M296-L393 WeakPolarHBondContact SD-CD1 3.34Å
297L64Low68.8Low41 Ų4145.5 Ų45.522%0.21524%0.239CC..Hα-helixtrans-65.6-26.7168.6-74.4172.7000111.8T293 D294 A295 Q301T293-L297 WeakPolarHBondContact O-CG 3.22Å; T293-L297 PolarHBondContact O-N 2.99Å; D294-L297 CarbonylContact O-C 3.52Å; D294-L297 WeakPolarHBondContact O-CB 3.46Å; D294-L297 PolarHBondContact O-N 2.65Å; A295-L297 VanDerWaalsContact C-N 3.35Å; L297-Q301 WeakPolarHBondContact O-CA 3.46Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.21Å; L297-Q301 PolarHBondContact O-N 2.95Å
298L59.8Low67.6Low19 Ų1940.6 Ų40.610%0.09922%0.217CC..Hα-helixtrans-71.6-46.4168.3-172.3109.6000112.1A214 D294 A295 M296 A300 R302 Y479A214-L298 HydrophobicContact CB-CD2 4.31Å; D294-L298 PolarHBondContact O-N 3.41Å; A295-L298 WeakPolarHBondContact O-CA 3.36Å; A295-L298 WeakPolarHBondContact O-CB 3.32Å; A295-L298 PolarHBondContact O-N 3.41Å; A295-L298 VanDerWaalsContact O-N 3.1Å; M296-L298 PolarHBondContact O-N 2.72Å; L298-A300 PolarHBondContact O-N 3.29Å; L298-R302 HydrophobicContact CG-CG 4.48Å; L298-R302 VanDerWaalsContact O-CB 3.3Å; L298-R302 WeakPolarHBondContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CG 3.3Å; L298-R302 PolarHBondContact O-N 3.02Å; L298-R302 VanDerWaalsContact O-N 3.12Å; L298-Y479 HydrophobicContact CB-CD2 3.81Å; L298-Y479 HydrophobicContact CB-CE2 4.16Å; L298-Y479 HydrophobicContact CD1-CD2 3.76Å; L298-Y479 HydrophobicContact CD1-CE2 3.96Å; L298-Y479 HydrophobicContact CD1-CG 4.21Å; L298-Y479 WeakPolarHBondContact CD1-O 3.31Å; L298-Y479 HydrophobicContact CG-CD2 4.34Å
299V59.5Low66.5Low17 Ų1741.2 Ų41.210%0.10322%0.22CC..Hα-helixtrans-57.7-39.8175.5174.80000110.7F218 A295 M296 L382F218-V299 HydrophobicContact CB-CG2 4.44Å; A295-V299 PolarHBondContact O-N 3.11Å; M296-V299 PolarHBondContact O-N 3.15Å; V299-L382 HydrophobicContact CG1-CD2 4.43Å
300A56Low65.5Low22 Ų2242 Ų4218%0.18222%0.223CC..Hα-helixtrans-84.4-45.2179.300000115.1M296 L298 R302 L303 V386M296-A300 WeakPolarHBondContact O-CB 3.34Å; M296-A300 PolarHBondContact O-N 2.89Å; L298-A300 PolarHBondContact O-N 3.29Å; A300-R302 PolarHBondContact O-N 2.92Å; A300-L303 HydrophobicContact CB-CD1 3.94Å; A300-L303 WeakPolarHBondContact O-CB 3.4Å; A300-L303 WeakPolarHBondContact O-CD1 3.04Å; A300-L303 WeakPolarHBondContact O-CG 3.18Å; A300-L303 PolarHBondContact O-N 2.93Å; A300-V386 HydrophobicContact CB-CB 4.36Å; A300-V386 HydrophobicContact CB-CG1 3.79Å
301Q51.6Low64.6Low139 Ų13943.2 Ų43.265%0.6523%0.23SC*.Hα-helixtrans-72.3-9.7-179.9-64.6175.1-30.600112.4L297L297-Q301 WeakPolarHBondContact O-CA 3.46Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.21Å; L297-Q301 PolarHBondContact O-N 2.95Å
302R51Low64.1Low67 Ų6742.2 Ų42.225%0.25322%0.224SC..THydrogen-bonded Turntrans-89.4-1164.6-66.1-155.4-178.71662.8114.6L298 A300 E304 G305 N308L298-R302 HydrophobicContact CG-CG 4.48Å; L298-R302 VanDerWaalsContact O-CB 3.3Å; L298-R302 WeakPolarHBondContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CG 3.3Å; L298-R302 PolarHBondContact O-N 3.02Å; L298-R302 VanDerWaalsContact O-N 3.12Å; A300-R302 PolarHBondContact O-N 2.92Å; R302-E304 VanDerWaalsContact C-N 3.29Å; R302-E304 PolarHBondContact O-N 3.39Å; R302-G305 CarbonylContact O-C 3.39Å; R302-G305 WeakPolarHBondContact O-CA 3.46Å; R302-G305 PolarHBondContact O-N 2.88Å; R302-N308 VanDerWaalsContact O-CB 3.29Å; R302-N308 WeakPolarHBondContact O-CB 3.25Å; R302-N308 PolarHBondContact O-N 3.33Å
303L43.9Very low63.9Low30 Ų3042.2 Ų42.216%0.15722%0.224CC..THydrogen-bonded Turntrans-56.9-42.8172.1-67.1160.7000111.6A300 G305 L382 D383A300-L303 HydrophobicContact CB-CD1 3.94Å; A300-L303 WeakPolarHBondContact O-CB 3.4Å; A300-L303 WeakPolarHBondContact O-CD1 3.04Å; A300-L303 WeakPolarHBondContact O-CG 3.18Å; A300-L303 PolarHBondContact O-N 2.93Å; L303-G305 PolarHBondContact O-N 3.23Å; L303-L382 HydrophobicContact CD2-CB 4.4Å; L303-L382 HydrophobicContact CD2-CD2 3.81Å; L303-L382 HydrophobicContact CD2-CG 4.11Å; L303-D383 HydrophobicContact CD1-CB 4.49Å; L303-D383 WeakPolarHBondContact CD1-OD1 3.41Å; L303-D383 WeakPolarHBondContact CD2-OD1 3.37Å
304E42.5Very low63.4Low201 Ų20144.5 Ų44.594%0.93924%0.236SC*.THydrogen-bonded Turntrans-79.73.1173.5-61.3-178.217200113.3R302R302-E304 VanDerWaalsContact C-N 3.29Å; R302-E304 PolarHBondContact O-N 3.39Å
305G52.7Low63.4Low19 Ų1942.8 Ų42.820%0.19623%0.229CC..THydrogen-bonded Turntrans-119.1161.1-170.600000114.3R302 L303 F307 N308R302-G305 CarbonylContact O-C 3.39Å; R302-G305 WeakPolarHBondContact O-CA 3.46Å; R302-G305 PolarHBondContact O-N 2.88Å; L303-G305 PolarHBondContact O-N 3.23Å; G305-F307 PolarHBondContact O-N 2.96Å; G305-N308 PolarHBondContact O-N 3.3Å
306P53.5Low64Low80 Ų8042.4 Ų42.452%0.51923%0.226SC..THydrogen-bonded Turntrans-74.420.5-174.232.9-38.2000114.5Q207Q207-P306 WeakPolarHBondContact CG-O 3.4Å; Q207-P306 PolarHBondContact NE2-O 3.39Å
307F60.1Low64.7Low58 Ų5842.5 Ų42.525%0.25423%0.226SC..THydrogen-bonded Turntrans-140.120.1175.6-40.9-79.9000113Q207 G305Q207-F307 HydrophobicContact CG-CD1 4.04Å; Q207-F307 HydrophobicContact CG-CE1 4.24Å; G305-F307 PolarHBondContact O-N 2.96Å
308N68.8Low65.8Low7 Ų743.8 Ų43.84%0.03724%0.236CC..  trans-54.1149.8158.4-172-0.8000109.3R302 G305 E310 S311 V312R302-N308 VanDerWaalsContact O-CB 3.29Å; R302-N308 WeakPolarHBondContact O-CB 3.25Å; R302-N308 PolarHBondContact O-N 3.33Å; G305-N308 PolarHBondContact O-N 3.3Å; N308-E310 PolarHBondContact OD1-N 3.16Å; N308-E310 VanDerWaalsContact OD1-N 3.1Å; N308-S311 VanDerWaalsContact CB-OG 3.31Å; N308-S311 WeakPolarHBondContact CB-OG 3.45Å; N308-S311 PolarHBondContact ND2-N 3.17Å; N308-S311 PolarHBondContact ND2-OG 2.95Å; N308-V312 WeakPolarHBondContact O-CB 3.49Å; N308-V312 WeakPolarHBondContact O-CG2 3.3Å; N308-V312 PolarHBondContact O-N 3.06Å
309I72.3Confident67.2Low13 Ų1344.6 Ų44.67%0.06724%0.238CC..SBendtrans-73.2-39168.5-163165.7000111.7F106 L109 A211 A215 V312 M313 L382F106-I309 HydrophobicContact CD1-CD1 4.25Å; F106-I309 HydrophobicContact CD1-CG2 4.17Å; F106-I309 HydrophobicContact CE1-CG2 3.84Å; L109-I309 HydrophobicContact CD2-CB 4.46Å; L109-I309 HydrophobicContact CD2-CD1 4.43Å; L109-I309 HydrophobicContact CD2-CG1 4Å; L109-I309 HydrophobicContact CD2-CG2 3.86Å; A211-I309 HydrophobicContact CB-CB 4.13Å; A211-I309 HydrophobicContact CB-CG1 4.18Å; A215-I309 HydrophobicContact CB-CD1 3.94Å; I309-V312 PolarHBondContact O-N 3.21Å; I309-M313 HydrophobicContact CG1-CG 3.81Å; I309-M313 VanDerWaalsContact O-CB 3.29Å; I309-M313 WeakPolarHBondContact O-CB 3.42Å; I309-M313 VanDerWaalsContact O-CG 3.31Å; I309-M313 WeakPolarHBondContact O-CG 3.35Å; I309-M313 PolarHBondContact O-N 3.48Å; I309-L382 HydrophobicContact CG2-CD2 4.25Å
310E72.3Confident68.7Low15 Ų1543.8 Ų43.87%0.0723%0.233CC..Hα-helixtrans-62.2-57.2174.8-62.6174.6135.800109.5F105 L109 N308 V312 M313 D314 T380 L382F105-E310 HydrophobicContact CZ-CG 4.15Å; F105-E310 WeakPolarHBondContact CZ-OE1 3.3Å; L109-E310 HydrophobicContact CD2-CG 4.42Å; N308-E310 PolarHBondContact OD1-N 3.16Å; N308-E310 VanDerWaalsContact OD1-N 3.1Å; E310-V312 PolarHBondContact O-N 2.74Å; E310-M313 PolarHBondContact O-N 3.34Å; E310-M313 VanDerWaalsContact O-N 3.15Å; E310-D314 WeakPolarHBondContact CB-OD2 3.37Å; E310-D314 WeakPolarHBondContact O-CB 3.28Å; E310-D314 PolarHBondContact O-N 2.9Å; E310-T380 PolarHBondContact OE1-OG1 2.67Å; E310-T380 VanDerWaalsContact OE1-OG1 3.1Å; E310-T380 WeakPolarHBondContact OE2-CB 3.37Å; E310-T380 WeakPolarHBondContact OE2-CG2 3.41Å; E310-T380 PolarHBondContact OE2-OG1 2.85Å; E310-L382 HydrophobicContact CG-CD2 4.23Å
311S71.3Confident70.4Confident51 Ų5143.4 Ų43.436%0.35723%0.23SC..Hα-helixtrans-65-3.1176.9-31.70000115.8N308 P315 K319N308-S311 VanDerWaalsContact CB-OG 3.31Å; N308-S311 WeakPolarHBondContact CB-OG 3.45Å; N308-S311 PolarHBondContact ND2-N 3.17Å; N308-S311 PolarHBondContact ND2-OG 2.95Å; S311-P315 WeakPolarHBondContact O-CG 3.48Å; S311-K319 PolarHBondContact O-NZ 3.15Å
312V77Confident72.2Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-101.7-43171168.70000111.9Q207 V208 N308 I309 E310 K319Q207-V312 HydrophobicContact CB-CG1 3.91Å; Q207-V312 HydrophobicContact CB-CG2 3.74Å; Q207-V312 HydrophobicContact CG-CG2 4.1Å; V208-V312 HydrophobicContact CG2-CG1 3.82Å; N308-V312 WeakPolarHBondContact O-CB 3.49Å; N308-V312 WeakPolarHBondContact O-CG2 3.3Å; N308-V312 PolarHBondContact O-N 3.06Å; I309-V312 PolarHBondContact O-N 3.21Å; E310-V312 PolarHBondContact O-N 2.74Å; V312-K319 PolarHBondContact O-NZ 3.38Å
313M79.2Confident74.2Confident0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-84-47.3-177.8-64.1-51.3-62.400113.1L109 L110 T113 F140 L143 F212 I309 E310 P315 I316L109-M313 HydrophobicContact CG-CB 4.48Å; L110-M313 HydrophobicContact CD2-CE 3.96Å; T113-M313 HydrophobicContact CG2-CB 4.31Å; T113-M313 HydrophobicContact CG2-CE 4.07Å; T113-M313 WeakPolarHBondContact CG2-O 3.45Å; F140-M313 HydrophobicContact CE1-CE 3.97Å; L143-M313 HydrophobicContact CD1-CE 4.31Å; F212-M313 HydrophobicContact CE2-CE 4.45Å; F212-M313 HydrophobicContact CE2-CG 4.43Å; F212-M313 HydrophobicContact CE2-SD 3.58Å; F212-M313 VanDerWaalsContact CE2-SD 3.58Å; F212-M313 HydrophobicContact CZ-CE 4.29Å; F212-M313 HydrophobicContact CZ-SD 3.98Å; I309-M313 HydrophobicContact CG1-CG 3.81Å; I309-M313 VanDerWaalsContact O-CB 3.29Å; I309-M313 WeakPolarHBondContact O-CB 3.42Å; I309-M313 VanDerWaalsContact O-CG 3.31Å; I309-M313 WeakPolarHBondContact O-CG 3.35Å; I309-M313 PolarHBondContact O-N 3.48Å; E310-M313 PolarHBondContact O-N 3.34Å; E310-M313 VanDerWaalsContact O-N 3.15Å; M313-P315 VanDerWaalsContact C-N 3.31Å; M313-I316 HydrophobicContact CE-CD1 3.93Å; M313-I316 HydrophobicContact CE-CG2 4.43Å; M313-I316 VanDerWaalsContact O-CB 3.24Å; M313-I316 WeakPolarHBondContact O-CB 3.35Å; M313-I316 WeakPolarHBondContact O-CG2 3.42Å; M313-I316 PolarHBondContact O-N 2.9Å; M313-I316 HydrophobicContact SD-CD1 3.99Å
314D73.7Confident76.4Confident67 Ų6736.9 Ų36.936%0.35820%0.202SC..THydrogen-bonded Turntrans-54.5-40.1-177.2-55.8-14.1000112.9L109 E310L109-D314 WeakPolarHBondContact CD1-OD1 3.41Å; E310-D314 WeakPolarHBondContact CB-OD2 3.37Å; E310-D314 WeakPolarHBondContact O-CB 3.28Å; E310-D314 PolarHBondContact O-N 2.9Å
315P81.4Confident78.6Confident41 Ų4130.5 Ų30.527%0.26617%0.172SC..THydrogen-bonded Turntrans-98.520.317440.1-37.3000113.5S311 M313 D317 V318 K319S311-P315 WeakPolarHBondContact O-CG 3.48Å; M313-P315 VanDerWaalsContact C-N 3.31Å; P315-D317 VanDerWaalsContact C-N 3.28Å; P315-D317 PolarHBondContact O-N 3.31Å; P315-V318 PolarHBondContact O-N 2.97Å; P315-K319 VanDerWaalsContact O-CG 3.3Å; P315-K319 WeakPolarHBondContact O-CG 3.39Å; P315-K319 PolarHBondContact O-N 2.72Å
316I84.6Confident80.3Confident2 Ų231.7 Ų31.71%0.0117%0.174CC..Hα-helixtrans-66.8-33.5-178.1-157.4168.9000111.7T113 F140 L204 V208 M313 K319 I320T113-I316 HydrophobicContact CG2-CB 4.49Å; T113-I316 HydrophobicContact CG2-CG2 3.3Å; F140-I316 HydrophobicContact CZ-CG2 4.19Å; L204-I316 HydrophobicContact CD1-CD1 4.17Å; L204-I316 HydrophobicContact CD1-CG1 3.93Å; L204-I316 HydrophobicContact CD2-CD1 4.25Å; L204-I316 HydrophobicContact CD2-CG1 4.04Å; V208-I316 HydrophobicContact CG2-CD1 4.33Å; M313-I316 HydrophobicContact CE-CD1 3.93Å; M313-I316 HydrophobicContact CE-CG2 4.43Å; M313-I316 VanDerWaalsContact O-CB 3.24Å; M313-I316 WeakPolarHBondContact O-CB 3.35Å; M313-I316 WeakPolarHBondContact O-CG2 3.42Å; M313-I316 PolarHBondContact O-N 2.9Å; M313-I316 HydrophobicContact SD-CD1 3.99Å; I316-K319 PolarHBondContact O-N 3.37Å; I316-I320 HydrophobicContact CG1-CD1 3.94Å; I316-I320 HydrophobicContact CG1-CG1 4.44Å; I316-I320 WeakPolarHBondContact O-CB 3.04Å; I316-I320 VanDerWaalsContact O-CG1 3.24Å; I316-I320 WeakPolarHBondContact O-CG1 3.41Å; I316-I320 PolarHBondContact O-N 2.9Å
317D83.9Confident82Confident4 Ų428 Ų282%0.02115%0.15CC..Hα-helixtrans-64.8-45.7174.7561.8000111.2S116 L117 M120 F121 P315 I320 S321S116-D317 WeakPolarHBondContact CB-OD2 3.44Å; S116-D317 PolarHBondContact OG-OD2 3.44Å; L117-D317 HydrophobicContact CB-CB 3.79Å; L117-D317 HydrophobicContact CD1-CB 4.01Å; L117-D317 HydrophobicContact CG-CB 3.86Å; M120-D317 HydrophobicContact CE-CB 3.9Å; M120-D317 WeakPolarHBondContact CE-O 3.43Å; F121-D317 HydrophobicContact CE1-CB 4.14Å; F121-D317 WeakPolarHBondContact CE1-O 3.46Å; P315-D317 VanDerWaalsContact C-N 3.28Å; P315-D317 PolarHBondContact O-N 3.31Å; D317-I320 PolarHBondContact O-N 3.03Å; D317-S321 VanDerWaalsContact O-CB 3.26Å; D317-S321 WeakPolarHBondContact O-CB 3.07Å; D317-S321 PolarHBondContact O-N 3.21Å
318V87Confident83.2Confident68 Ų6826.2 Ų26.241%0.41214%0.143SC..Hα-helixtrans-61.6-43.9173.1-179.20000111.3P315 S321 E322P315-V318 PolarHBondContact O-N 2.97Å; V318-S321 WeakPolarHBondContact O-CB 3.41Å; V318-S321 PolarHBondContact O-N 3.47Å; V318-E322 PolarHBondContact O-N 3.44Å
319K88.9Confident84.1Confident35 Ų3532 Ų3215%0.15217%0.174CC..Hα-helixtrans-64.4-42.5177.2-70.6168.2-169.3168.70112.3V200 L204 S311 V312 P315 I316 S321 E322 A323V200-K319 HydrophobicContact CG1-CB 4.37Å; V200-K319 WeakPolarHBondContact CG1-O 3.37Å; L204-K319 HydrophobicContact CD1-CD 3.98Å; S311-K319 PolarHBondContact O-NZ 3.15Å; V312-K319 PolarHBondContact O-NZ 3.38Å; P315-K319 VanDerWaalsContact O-CG 3.3Å; P315-K319 WeakPolarHBondContact O-CG 3.39Å; P315-K319 PolarHBondContact O-N 2.72Å; I316-K319 PolarHBondContact O-N 3.37Å; K319-S321 VanDerWaalsContact C-N 3.32Å; K319-E322 WeakPolarHBondContact O-CB 3.27Å; K319-E322 PolarHBondContact O-N 3.27Å; K319-A323 PolarHBondContact O-N 3.11Å
320I92.3Very high84.7Confident0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-69.9-34.4177.2-65166.2000110.2L117 F121 F136 L139 F161 W162 L204 I316 D317 A323 I324L117-I320 HydrophobicContact CD1-CD1 3.94Å; F121-I320 HydrophobicContact CE2-CG2 4.14Å; F121-I320 HydrophobicContact CZ-CB 4.09Å; F121-I320 HydrophobicContact CZ-CG2 3.83Å; F136-I320 HydrophobicContact CE1-CG2 3.86Å; L139-I320 HydrophobicContact CD2-CD1 4.18Å; F161-I320 HydrophobicContact CE1-CD1 4.35Å; F161-I320 HydrophobicContact CZ-CD1 4.11Å; F161-I320 HydrophobicContact CZ-CG2 4.13Å; W162-I320 HydrophobicContact CH2-CG1 4.2Å; L204-I320 HydrophobicContact CD2-CG1 4.22Å; I316-I320 HydrophobicContact CG1-CD1 3.94Å; I316-I320 HydrophobicContact CG1-CG1 4.44Å; I316-I320 WeakPolarHBondContact O-CB 3.04Å; I316-I320 VanDerWaalsContact O-CG1 3.24Å; I316-I320 WeakPolarHBondContact O-CG1 3.41Å; I316-I320 PolarHBondContact O-N 2.9Å; D317-I320 PolarHBondContact O-N 3.03Å; I320-A323 WeakPolarHBondContact O-CB 3.49Å; I320-A323 PolarHBondContact O-N 2.78Å; I320-I324 HydrophobicContact CG2-CD1 4.1Å; I320-I324 VanDerWaalsContact O-CG1 3.28Å; I320-I324 WeakPolarHBondContact O-CG1 3.41Å; I320-I324 PolarHBondContact O-N 3.17Å
321S90.5Very high85.4Confident15 Ų1535.6 Ų35.611%0.10520%0.196CC..Hα-helixtrans-62.2-41.4169.9-176.50000112.3Y125 D317 V318 K319 I324 M325Y125-S321 WeakPolarHBondContact OH-CA 2.99Å; Y125-S321 PolarHBondContact OH-O 3.12Å; Y125-S321 PolarHBondContact OH-OG 2.87Å; Y125-S321 VanDerWaalsContact OH-OG 3.05Å; D317-S321 VanDerWaalsContact O-CB 3.26Å; D317-S321 WeakPolarHBondContact O-CB 3.07Å; D317-S321 PolarHBondContact O-N 3.21Å; V318-S321 WeakPolarHBondContact O-CB 3.41Å; V318-S321 PolarHBondContact O-N 3.47Å; K319-S321 VanDerWaalsContact C-N 3.32Å; S321-I324 PolarHBondContact O-N 3.01Å; S321-M325 WeakPolarHBondContact O-CG 3.4Å; S321-M325 PolarHBondContact O-N 3.44Å
322E89.8Confident86.2Confident89 Ų8936.9 Ų36.942%0.41621%0.21SC..Hα-helixtrans-60-45.8173.9-174-163.8153.600111.1V200 V318 K319 I324 M325 N326V200-E322 HydrophobicContact CG2-CG 4.25Å; V318-E322 PolarHBondContact O-N 3.44Å; K319-E322 WeakPolarHBondContact O-CB 3.27Å; K319-E322 PolarHBondContact O-N 3.27Å; E322-I324 PolarHBondContact O-N 3.18Å; E322-M325 PolarHBondContact O-N 2.9Å; E322-N326 VanDerWaalsContact O-CG 3.27Å; E322-N326 PolarHBondContact O-N 3.31Å; E322-N326 PolarHBondContact O-ND2 3.16Å
323A92.5Very high86.7Confident0 Ų042.7 Ų42.70%024%0.237CC..Hα-helixtrans-58.5-46.8174.700000112.2W162 F197 V200 K319 I320 M325 N326 M327W162-A323 HydrophobicContact CH2-CB 3.57Å; W162-A323 HydrophobicContact CZ3-CB 3.51Å; F197-A323 HydrophobicContact CB-CB 3.97Å; F197-A323 HydrophobicContact CD1-CB 4.12Å; F197-A323 WeakPolarHBondContact CD1-O 3.41Å; F197-A323 HydrophobicContact CG-CB 4.3Å; V200-A323 HydrophobicContact CB-CB 4.1Å; V200-A323 HydrophobicContact CG1-CB 4.04Å; V200-A323 HydrophobicContact CG2-CB 4.49Å; K319-A323 PolarHBondContact O-N 3.11Å; I320-A323 WeakPolarHBondContact O-CB 3.49Å; I320-A323 PolarHBondContact O-N 2.78Å; A323-M325 VanDerWaalsContact C-N 3.33Å; A323-M325 PolarHBondContact O-N 3.06Å; A323-N326 WeakPolarHBondContact O-CB 3.48Å; A323-N326 PolarHBondContact O-N 2.6Å; A323-M327 PolarHBondContact O-N 3.33Å; A323-M327 VanDerWaalsContact O-N 3.1Å
324I90.7Very high87.1Confident10 Ų1043 Ų435%0.05124%0.239CC..Hα-helixtrans-61-42.3177-69165.5000110.7F121 Y125 F136 L165 M169 I320 S321 E322 M327 Q328F121-I324 HydrophobicContact CD2-CD1 4.5Å; F121-I324 HydrophobicContact CE2-CD1 3.55Å; F121-I324 HydrophobicContact CZ-CD1 4.1Å; Y125-I324 HydrophobicContact CE1-CG2 3.73Å; Y125-I324 HydrophobicContact CE2-CD1 4.04Å; Y125-I324 WeakPolarHBondContact OH-CB 3.5Å; Y125-I324 WeakPolarHBondContact OH-CG2 3.42Å; F136-I324 HydrophobicContact CZ-CD1 4.47Å; L165-I324 HydrophobicContact CD2-CG1 4.32Å; M169-I324 HydrophobicContact CE-CB 4.34Å; M169-I324 HydrophobicContact CE-CG2 3.79Å; M169-I324 WeakPolarHBondContact CE-O 3.04Å; M169-I324 HydrophobicContact SD-CB 4.1Å; M169-I324 HydrophobicContact SD-CG1 3.76Å; M169-I324 HydrophobicContact SD-CG2 3.96Å; I320-I324 HydrophobicContact CG2-CD1 4.1Å; I320-I324 VanDerWaalsContact O-CG1 3.28Å; I320-I324 WeakPolarHBondContact O-CG1 3.41Å; I320-I324 PolarHBondContact O-N 3.17Å; S321-I324 PolarHBondContact O-N 3.01Å; E322-I324 PolarHBondContact O-N 3.18Å; I324-M327 PolarHBondContact O-N 3.22Å; I324-Q328 VanDerWaalsContact O-CG 3.3Å; I324-Q328 WeakPolarHBondContact O-CG 3.35Å; I324-Q328 PolarHBondContact O-N 3.08Å
325M87.5Confident87.9Confident66 Ų6640.4 Ų40.433%0.32523%0.226SC..Hα-helixtrans-63.2-45.8175.2-72.7178.468.700112S321 E322 A323 M327 Q328 D329 F365S321-M325 WeakPolarHBondContact O-CG 3.4Å; S321-M325 PolarHBondContact O-N 3.44Å; E322-M325 PolarHBondContact O-N 2.9Å; A323-M325 VanDerWaalsContact C-N 3.33Å; A323-M325 PolarHBondContact O-N 3.06Å; M325-M327 VanDerWaalsContact C-N 3.25Å; M325-M327 PolarHBondContact O-N 3.41Å; M325-Q328 PolarHBondContact O-N 3.16Å; M325-D329 PolarHBondContact O-N 3.45Å; M325-F365 HydrophobicContact CE-CD2 4.37Å; M325-F365 HydrophobicContact CE-CE2 4.15Å; M325-F365 HydrophobicContact CE-CZ 4.34Å; M325-F365 HydrophobicContact CG-CE1 3.93Å; M325-F365 HydrophobicContact CG-CE2 4.18Å; M325-F365 HydrophobicContact CG-CZ 3.54Å; M325-F365 HydrophobicContact SD-CD1 4.46Å; M325-F365 HydrophobicContact SD-CE1 4.05Å; M325-F365 HydrophobicContact SD-CE2 4.45Å; M325-F365 HydrophobicContact SD-CZ 4.05Å
326N89.5Confident88.3Confident45 Ų4544.9 Ų44.924%0.24124%0.241CC..Hα-helixtrans-54.8-41176-72.7-29.7000111.9P196 F197 E322 A323 N330P196-N326 CarbonylContact O-C 3.55Å; F197-N326 PolarHBondContact O-ND2 2.93Å; E322-N326 VanDerWaalsContact O-CG 3.27Å; E322-N326 PolarHBondContact O-N 3.31Å; E322-N326 PolarHBondContact O-ND2 3.16Å; A323-N326 WeakPolarHBondContact O-CB 3.48Å; A323-N326 PolarHBondContact O-N 2.6Å; N326-N330 WeakPolarHBondContact O-CB 3.29Å; N326-N330 PolarHBondContact O-N 3.27Å; N326-N330 VanDerWaalsContact O-N 3.16Å; N326-N330 PolarHBondContact O-ND2 2.91Å
327M89Confident88.5Confident2 Ų249.5 Ų49.51%0.0126%0.258CS..Hα-helixtrans-74.2-30.8177.3-176.4175.5173.800113L166 M169 F170 L173 P196 F197 A323 I324 M325 S331L166-M327 HydrophobicContact CD1-CE 3.58Å; L166-M327 HydrophobicContact CD1-SD 3.84Å; M169-M327 HydrophobicContact CB-CE 3.67Å; M169-M327 HydrophobicContact CB-SD 3.54Å; M169-M327 VanDerWaalsContact CB-SD 3.54Å; M169-M327 HydrophobicContact CE-CB 3.78Å; M169-M327 HydrophobicContact CE-CG 3.9Å; M169-M327 HydrophobicContact CE-SD 3.89Å; M169-M327 HydrophobicContact CG-SD 4.31Å; M169-M327 HydrophobicContact SD-CB 4.42Å; M169-M327 HydrophobicContact SD-SD 3.91Å; F170-M327 HydrophobicContact CB-CE 4Å; F170-M327 HydrophobicContact CD2-CE 4.44Å; L173-M327 HydrophobicContact CD1-CE 4.21Å; L173-M327 HydrophobicContact CD1-CG 4.37Å; P196-M327 HydrophobicContact CB-CB 4.49Å; P196-M327 HydrophobicContact CB-CG 4.06Å; P196-M327 HydrophobicContact CB-SD 4.16Å; P196-M327 WeakPolarHBondContact O-CA 3.27Å; P196-M327 WeakPolarHBondContact O-CB 3.34Å; P196-M327 PolarHBondContact O-N 3.49Å; F197-M327 HydrophobicContact CD1-CB 3.9Å; F197-M327 HydrophobicContact CD1-SD 4.27Å; F197-M327 HydrophobicContact CE1-CB 4Å; F197-M327 HydrophobicContact CE1-CG 4.37Å; F197-M327 HydrophobicContact CE1-SD 3.53Å; F197-M327 VanDerWaalsContact CE1-SD 3.53Å; F197-M327 HydrophobicContact CZ-SD 3.9Å; A323-M327 PolarHBondContact O-N 3.33Å; A323-M327 VanDerWaalsContact O-N 3.1Å; I324-M327 PolarHBondContact O-N 3.22Å; M325-M327 VanDerWaalsContact C-N 3.25Å; M325-M327 PolarHBondContact O-N 3.41Å; M327-S331 VanDerWaalsContact O-CA 3.28Å; M327-S331 WeakPolarHBondContact O-CA 3.42Å; M327-S331 WeakPolarHBondContact O-CB 3.38Å; M327-S331 PolarHBondContact O-N 2.99Å
328Q86.1Confident88.7Confident21 Ų2149.3 Ų49.310%0.09826%0.258CS..Hα-helixtrans-70.2-46.6175.7-74171.6-0.900111.6M169 L173 I324 M325 S331 F361M169-Q328 HydrophobicContact CE-CG 3.89Å; L173-Q328 HydrophobicContact CD2-CG 4.39Å; I324-Q328 VanDerWaalsContact O-CG 3.3Å; I324-Q328 WeakPolarHBondContact O-CG 3.35Å; I324-Q328 PolarHBondContact O-N 3.08Å; M325-Q328 PolarHBondContact O-N 3.16Å; Q328-S331 WeakPolarHBondContact O-CB 3.43Å; Q328-S331 PolarHBondContact O-N 2.86Å; Q328-S331 PolarHBondContact O-OG 2.92Å; Q328-F361 VanDerWaalsContact NE2-CE1 3.31Å
329D86.4Confident89Confident129 Ų12948.1 Ų48.169%0.6925%0.247SC*.Hα-helixtrans-67-39.7180-72.3-20.7000112M325 S331M325-D329 PolarHBondContact O-N 3.45Å; D329-S331 VanDerWaalsContact C-N 3.32Å
330N85.9Confident89Confident69 Ų6952.9 Ų52.937%0.36927%0.27SS..THydrogen-bonded Turntrans-86.92.6177.5-63.3-71.8000113.8N326 A332 Q333 V334N326-N330 WeakPolarHBondContact O-CB 3.29Å; N326-N330 PolarHBondContact O-N 3.27Å; N326-N330 VanDerWaalsContact O-N 3.16Å; N326-N330 PolarHBondContact O-ND2 2.91Å; N330-A332 VanDerWaalsContact C-N 3.33Å; N330-A332 PolarHBondContact O-N 2.92Å; N330-Q333 WeakPolarHBondContact O-CB 3.3Å; N330-Q333 PolarHBondContact O-N 3.29Å; N330-V334 HydrophobicContact CB-CG2 4.41Å; N330-V334 PolarHBondContact O-N 3.04Å
331S86.4Confident88.8Confident33 Ų3354.5 Ų54.523%0.23129%0.286CS..Hα-helixtrans-50.8-45.2-170.8560000114.1M327 Q328 D329 Q333 V334 S335M327-S331 VanDerWaalsContact O-CA 3.28Å; M327-S331 WeakPolarHBondContact O-CA 3.42Å; M327-S331 WeakPolarHBondContact O-CB 3.38Å; M327-S331 PolarHBondContact O-N 2.99Å; Q328-S331 WeakPolarHBondContact O-CB 3.43Å; Q328-S331 PolarHBondContact O-N 2.86Å; Q328-S331 PolarHBondContact O-OG 2.92Å; D329-S331 VanDerWaalsContact C-N 3.32Å; S331-Q333 VanDerWaalsContact C-N 3.34Å; S331-Q333 PolarHBondContact O-N 3.22Å; S331-V334 PolarHBondContact O-N 2.69Å; S331-S335 WeakPolarHBondContact O-CB 3.33Å; S331-S335 PolarHBondContact O-N 3.46Å; S331-S335 PolarHBondContact O-OG 3.21Å
332A87.6Confident88.8Confident78 Ų7855 Ų5565%0.64529%0.29SS*.Hα-helixtrans-64-35.8178.900000113N330 F336N330-A332 VanDerWaalsContact C-N 3.33Å; N330-A332 PolarHBondContact O-N 2.92Å; A332-F336 VanDerWaalsContact O-CB 3.24Å; A332-F336 WeakPolarHBondContact O-CB 3.48Å; A332-F336 PolarHBondContact O-N 3.03Å
333Q87.3Confident88.7Confident123 Ų12352.5 Ų52.558%0.57529%0.287SS*.Hα-helixtrans-73.4-41.3177.2-170.9-177.823.600111.3N330 S331 F336 R337N330-Q333 WeakPolarHBondContact O-CB 3.3Å; N330-Q333 PolarHBondContact O-N 3.29Å; S331-Q333 VanDerWaalsContact C-N 3.34Å; S331-Q333 PolarHBondContact O-N 3.22Å; Q333-F336 PolarHBondContact O-N 3.26Å; Q333-R337 PolarHBondContact O-N 3.48Å
334V88.6Confident88.4Confident7 Ų759.4 Ų59.44%0.04232%0.32CS..Hα-helixtrans-62.4-53176.1175.90000109.9F170 L194 P196 N330 S331 F336 R337 V338F170-V334 HydrophobicContact CD2-CG1 4.49Å; F170-V334 HydrophobicContact CE2-CG1 4.44Å; L194-V334 HydrophobicContact CD1-CG1 4.47Å; P196-V334 HydrophobicContact CB-CG1 4.48Å; P196-V334 HydrophobicContact CB-CG2 4.25Å; P196-V334 HydrophobicContact CG-CG1 4.24Å; P196-V334 HydrophobicContact CG-CG2 4.46Å; N330-V334 HydrophobicContact CB-CG2 4.41Å; N330-V334 PolarHBondContact O-N 3.04Å; S331-V334 PolarHBondContact O-N 2.69Å; V334-F336 PolarHBondContact O-N 2.66Å; V334-R337 PolarHBondContact O-N 2.79Å; V334-V338 HydrophobicContact CG1-CG2 4.34Å; V334-V338 WeakPolarHBondContact O-CB 3.31Å; V334-V338 VanDerWaalsContact O-CG2 3.32Å; V334-V338 WeakPolarHBondContact O-CG2 3.47Å; V334-V338 PolarHBondContact O-N 2.76Å
335S90.1Very high88.3Confident12 Ų1259.5 Ų59.58%0.08432%0.321CS..Hα-helixtrans-59.4-42176.5-70.10000112.4N174 S331 R337 V338 F339N174-S335 VanDerWaalsContact CG-OG 3.28Å; N174-S335 PolarHBondContact ND2-OG 2.91Å; N174-S335 PolarHBondContact OD1-OG 3.13Å; S331-S335 WeakPolarHBondContact O-CB 3.33Å; S331-S335 PolarHBondContact O-N 3.46Å; S331-S335 PolarHBondContact O-OG 3.21Å; S335-R337 PolarHBondContact O-N 3.01Å; S335-V338 PolarHBondContact O-N 2.67Å; S335-F339 WeakPolarHBondContact O-CB 3.17Å; S335-F339 VanDerWaalsContact O-CD1 3.25Å; S335-F339 WeakPolarHBondContact O-CD1 3.34Å; S335-F339 WeakPolarHBondContact O-CG 3.39Å; S335-F339 PolarHBondContact O-N 3.3Å
336F89.8Confident88.2Confident134 Ų13464.6 Ų64.659%0.58834%0.341SS*.Hα-helixtrans-59.4-47176.6176.1-93.5000112.5A332 Q333 V334 F339 Q340A332-F336 VanDerWaalsContact O-CB 3.24Å; A332-F336 WeakPolarHBondContact O-CB 3.48Å; A332-F336 PolarHBondContact O-N 3.03Å; Q333-F336 PolarHBondContact O-N 3.26Å; V334-F336 PolarHBondContact O-N 2.66Å; F336-F339 PolarHBondContact O-N 3.06Å; F336-Q340 WeakPolarHBondContact O-CB 3.05Å; F336-Q340 PolarHBondContact O-N 2.81Å
337R87.9Confident88Confident99 Ų9968.1 Ų68.137%0.37436%0.36SS..Hα-helixtrans-69-39.6179-73.9-61.1-157.899.64.4112.5E193 L194 Q333 V334 S335 Q340 G341E193-R337 IonicContact OE1-NH1 2.6Å; E193-R337 PolarHBondContact OE1-NH1 2.92Å; L194-R337 HydrophobicContact CD1-CB 3.98Å; L194-R337 HydrophobicContact CD2-CB 3.58Å; L194-R337 HydrophobicContact CD2-CG 3.77Å; L194-R337 HydrophobicContact CG-CB 4.44Å; Q333-R337 PolarHBondContact O-N 3.48Å; V334-R337 PolarHBondContact O-N 2.79Å; S335-R337 PolarHBondContact O-N 3.01Å; R337-Q340 WeakPolarHBondContact O-CB 3Å; R337-Q340 PolarHBondContact O-N 3.03Å; R337-G341 PolarHBondContact O-N 3.21Å
338V90.1Very high87.6Confident1 Ų169.7 Ų69.71%0.00637%0.373CS..Hα-helixtrans-60.8-46.1173.2166.20000110.9F170 Y183 I187 L194 V334 S335 Q340 G341 C342F170-V338 HydrophobicContact CE1-CG1 4.47Å; F170-V338 HydrophobicContact CE2-CB 4.17Å; F170-V338 HydrophobicContact CE2-CG1 4.09Å; F170-V338 HydrophobicContact CE2-CG2 4.12Å; F170-V338 HydrophobicContact CZ-CB 4.17Å; F170-V338 HydrophobicContact CZ-CG1 3.68Å; Y183-V338 HydrophobicContact CE1-CG1 3.69Å; I187-V338 HydrophobicContact CD1-CG1 4.08Å; I187-V338 HydrophobicContact CG1-CG1 3.54Å; I187-V338 HydrophobicContact CG1-CG2 4.14Å; L194-V338 HydrophobicContact CD1-CG2 4.02Å; V334-V338 HydrophobicContact CG1-CG2 4.34Å; V334-V338 WeakPolarHBondContact O-CB 3.31Å; V334-V338 VanDerWaalsContact O-CG2 3.32Å; V334-V338 WeakPolarHBondContact O-CG2 3.47Å; V334-V338 PolarHBondContact O-N 2.76Å; S335-V338 PolarHBondContact O-N 2.67Å; V338-Q340 VanDerWaalsContact C-N 3.25Å; V338-Q340 PolarHBondContact O-N 2.89Å; V338-G341 PolarHBondContact O-N 2.67Å; V338-G341 VanDerWaalsContact O-N 3.16Å; V338-C342 WeakPolarHBondContact O-CB 3.3Å; V338-C342 PolarHBondContact O-N 2.72Å
339F91.4Very high86.5Confident42 Ų4278 Ų7818%0.18441%0.412CS..Hα-helixtrans-66.4-28178.4-62-7.8000112.4F170 Y177 Y183 S335 F336 G343 P345F170-F339 AromaticContact CZ-CE1 3.96Å; F170-F339 HydrophobicContact CZ-CE1 3.96Å; Y177-F339 AromaticContact CD2-CZ 3.94Å; Y177-F339 HydrophobicContact CD2-CZ 3.94Å; Y177-F339 AromaticContact CE2-CE2 3.86Å; Y177-F339 HydrophobicContact CE2-CE2 3.86Å; Y177-F339 AromaticContact CE2-CZ 3.65Å; Y177-F339 HydrophobicContact CE2-CZ 3.65Å; Y183-F339 WeakPolarHBondContact OH-CD1 3.38Å; S335-F339 WeakPolarHBondContact O-CB 3.17Å; S335-F339 VanDerWaalsContact O-CD1 3.25Å; S335-F339 WeakPolarHBondContact O-CD1 3.34Å; S335-F339 WeakPolarHBondContact O-CG 3.39Å; S335-F339 PolarHBondContact O-N 3.3Å; F336-F339 PolarHBondContact O-N 3.06Å; F339-G343 CarbonylContact O-C 3.52Å; F339-G343 WeakPolarHBondContact O-CA 3.35Å; F339-G343 PolarHBondContact O-N 2.85Å; F339-P345 VanDerWaalsContact CD1-CD 3.47Å; F339-P345 HydrophobicContact CD1-CG 4.07Å; F339-P345 HydrophobicContact CE1-CG 3.59Å; F339-P345 HydrophobicContact CZ-CG 4.06Å
340Q89.6Confident85Confident135 Ų13579.2 Ų79.263%0.63142%0.416SS*.Hα-helixtrans-72.9-36.1173.1-171.717912.100112.6F336 R337 V338F336-Q340 WeakPolarHBondContact O-CB 3.05Å; F336-Q340 PolarHBondContact O-N 2.81Å; R337-Q340 WeakPolarHBondContact O-CB 3Å; R337-Q340 PolarHBondContact O-N 3.03Å; V338-Q340 VanDerWaalsContact C-N 3.25Å; V338-Q340 PolarHBondContact O-N 2.89Å
341G87.9Confident83Confident34 Ų3480.7 Ų80.735%0.35143%0.432SS..Hα-helixtrans-86.9-47.3-178.300000114.6Y190 R337 V338Y190-G341 VanDerWaalsContact OH-CA 3.28Å; Y190-G341 WeakPolarHBondContact OH-CA 3.49Å; R337-G341 PolarHBondContact O-N 3.21Å; V338-G341 PolarHBondContact O-N 2.67Å; V338-G341 VanDerWaalsContact O-N 3.16Å
342C90Very high81Confident27 Ų2790.8 Ų90.818%0.18247%0.465CS..SBendtrans-93.5-1-177.6-62.20000113.9Y183 C186 V338Y183-C342 HydrophobicContact CD2-CB 4.3Å; Y183-C342 HydrophobicContact CE1-CB 4.31Å; Y183-C342 HydrophobicContact CE2-CB 3.64Å; C186-C342 HydrophobicContact CB-CB 3.9Å; C186-C342 WeakPolarHBondContact CB-SG 3.39Å; C186-C342 WeakPolarHBondContact SG-CA 3.38Å; C186-C342 WeakPolarHBondContact SG-CB 3.32Å; C186-C342 CovalentContact SG-SG 2.04Å; C186-C342 PolarHBondContact SG-SG 2.04Å; V338-C342 WeakPolarHBondContact O-CB 3.3Å; V338-C342 PolarHBondContact O-N 2.72Å
343G89.1Confident78.9Confident35 Ų3592.4 Ų92.436%0.36147%0.472SS..  trans77.2164.6-170.500000112.7Y183 F339Y183-G343 WeakPolarHBondContact CE2-O 3.4Å; Y183-G343 PolarHBondContact OH-O 3.09Å; F339-G343 CarbonylContact O-C 3.52Å; F339-G343 WeakPolarHBondContact O-CA 3.35Å; F339-G343 PolarHBondContact O-N 2.85Å
344Q86.7Confident76.5Confident145 Ų14590.7 Ų90.768%0.67848%0.479SS*.PPolyproline II helixtrans-76.9125.2-178.2-169.5173.111.700110.9
345P87.9Confident74.3Confident12 Ų12102.9 Ų102.98%0.07852%0.524CS..PPolyproline II helixtrans-71.6157.3-18029.7-33.5000111.3Y177 I179 Y183 F339Y177-P345 HydrophobicContact CD1-CG 3.93Å; Y177-P345 WeakPolarHBondContact CD1-O 3.18Å; Y177-P345 HydrophobicContact CD2-CG 4.26Å; Y177-P345 HydrophobicContact CG-CB 4.47Å; Y177-P345 HydrophobicContact CG-CG 3.77Å; I179-P345 HydrophobicContact CD1-CB 3.9Å; I179-P345 HydrophobicContact CD1-CG 3.96Å; Y183-P345 HydrophobicContact CE2-CB 4.2Å; F339-P345 VanDerWaalsContact CD1-CD 3.47Å; F339-P345 HydrophobicContact CD1-CG 4.07Å; F339-P345 HydrophobicContact CE1-CG 3.59Å; F339-P345 HydrophobicContact CZ-CG 4.06Å
346K86.1Confident71.8Confident173 Ų173105 Ų10575%0.75255%0.547SS*.EExtended strand (participates in β ladder)trans-67.3135.6-180-66.1177.4-177.2172.60110Y177 V178Y177-K346 CarbonylContact C-O 3.58Å; Y177-K346 VanDerWaalsContact CA-O 3.29Å; Y177-K346 WeakPolarHBondContact CA-O 3.21Å; V178-K346 PolarHBondContact N-O 3.24Å
347L85.2Confident69.2Low120 Ų120104.6 Ų104.663%0.62856%0.556SS**EExtended strand (participates in β ladder)trans-59.8139.6169-74.8163.6000109.8Y177Y177-L347 HydrophobicContact CD1-CD2 3.84Å; Y177-L347 HydrophobicContact CD1-CG 4.19Å; Y177-L347 HydrophobicContact CE1-CD2 3.45Å; Y177-L347 VanDerWaalsContact CE1-CD2 3.45Å; Y177-L347 HydrophobicContact CE1-CG 3.9Å
348A79.4Confident66.8Low34 Ų34104.4 Ų104.428%0.28157%0.57SS.*PPolyproline II helixtrans-66.6134171.400000109.9Q176 V178 I350Q176-A348 PolarHBondContact O-N 3Å; V178-A348 HydrophobicContact CG2-CB 4.19Å; A348-I350 PolarHBondContact O-N 3Å
349E63.8Low64.4Low197 Ų197109.9 Ų109.992%0.92160%0.599SS**  trans-71.798.9179.4-67.7-165.1161.100110.6S351E349-S351 PolarHBondContact O-N 3.4Å
350I54.9Low62.1Low153 Ų153112.3 Ų112.379%0.78562%0.617SS**  trans-69.990.5-179.5-54.1178.6000110A348 R352A348-I350 PolarHBondContact O-N 3Å; I350-R352 PolarHBondContact O-N 2.98Å
351S43.3Very low60Low100 Ų100109.2 Ų109.270%0.69960%0.602SS**  trans-57.8126.7165.9-178.20000109.8E349 S353E349-S351 PolarHBondContact O-N 3.4Å; S351-S353 PolarHBondContact O-N 3.17Å
352R44.3Very low57.8Low246 Ų246114 Ų11493%0.92862%0.62SS**SBendtrans-75.317.1-169.3-70.2-178171.8171.3-2.2115.2I350I350-R352 PolarHBondContact O-N 2.98Å
353S43.9Very low55.7Low111 Ų111115.8 Ų115.878%0.77664%0.636SS**  trans-116.956.7-171.7-720000114.4S351S351-S353 PolarHBondContact O-N 3.17Å
354A37.5Very low53.6Low88 Ų88125.3 Ų125.373%0.72766%0.661SS**  trans-159.2119.7148.300000111.4G356A354-G356 PolarHBondContact O-N 3.42Å
355R41.6Very low52Low263 Ų263121.8 Ų121.899%0.99264%0.644SS**  trans-86.356.7150.3-77.6-174.1177.9161.9-0.6109
356G37.3Very low50Low55 Ų55131.9 Ų131.957%0.56768%0.68SS**  trans-70155.5162.100000109.3A354 S358A354-G356 PolarHBondContact O-N 3.42Å; G356-S358 PolarHBondContact O-N 2.88Å
357T35.1Very low48Very low127 Ų127129.5 Ų129.578%0.77968%0.682SS**  trans-56.2132.1166.143.20000109D359T357-D359 PolarHBondContact O-N 3.42Å
358S37.1Very low46Very low95 Ų95127.3 Ų127.366%0.66467%0.666SS**  trans-67.7110171.959.90000108.3G356 V360G356-S358 PolarHBondContact O-N 2.88Å; S358-V360 PolarHBondContact O-N 2.63Å
359D41.2Very low44.3Very low115 Ų115132.3 Ų132.362%0.61569%0.688SS**  trans-70.451.6167.2-77.2-12.7000110K127 T357 F361K127-D359 IonicContact NZ-OD2 3.22Å; K127-D359 PolarHBondContact NZ-OD2 3.44Å; T357-D359 PolarHBondContact O-N 3.42Å; D359-F361 PolarHBondContact O-N 3.1Å
360V42.3Very low43.6Very low93 Ų93126.1 Ų126.156%0.56467%0.665SS**  trans-60.7123.6166.4165.70000106.6S358 N362S358-V360 PolarHBondContact O-N 2.63Å; V360-N362 VanDerWaalsContact C-N 3.35Å; V360-N362 PolarHBondContact O-N 2.8Å; V360-N362 PolarHBondContact O-ND2 2.84Å
361F45.6Very low43.1Very low70 Ų70127.4 Ų127.431%0.30767%0.668SS.*  trans-59.695.9175.6-160.2-69000108.7Y125 P128 Q328 D359 A363Y125-F361 HydrophobicContact CD1-CE1 4.23Å; Y125-F361 AromaticContact CD1-CZ 3.85Å; Y125-F361 HydrophobicContact CD1-CZ 3.85Å; P128-F361 HydrophobicContact CB-CD2 3.96Å; P128-F361 HydrophobicContact CB-CE2 3.5Å; P128-F361 VanDerWaalsContact CB-CE2 3.5Å; P128-F361 HydrophobicContact CB-CZ 4.44Å; P128-F361 HydrophobicContact CG-CD2 3.73Å; P128-F361 HydrophobicContact CG-CE2 3.73Å; Q328-F361 VanDerWaalsContact NE2-CE1 3.31Å; D359-F361 PolarHBondContact O-N 3.1Å; F361-A363 PolarHBondContact O-N 3.46Å
362N42.8Very low43Very low136 Ų136130.7 Ų130.773%0.72767%0.672SS**  trans-74.489.2-175.3-91.8-69.7000109.5V360 R364V360-N362 VanDerWaalsContact C-N 3.35Å; V360-N362 PolarHBondContact O-N 2.8Å; V360-N362 PolarHBondContact O-ND2 2.84Å; N362-R364 PolarHBondContact O-N 3.31Å
363A45.7Very low43.3Very low64 Ų64122.5 Ų122.553%0.52965%0.651SS.*  trans-66.926.5-179.900000114.9F361 F365F361-A363 PolarHBondContact O-N 3.46Å; A363-F365 WeakPolarHBondContact O-CD2 3.02Å; A363-F365 PolarHBondContact O-N 2.91Å
364R44Very low43Very low235 Ų235122.9 Ų122.989%0.88765%0.651SS**  trans-94.580.3170.8-87.9-172.8167169-1.9110.1N362N362-R364 PolarHBondContact O-N 3.31Å
365F53.8Low43Very low70 Ų70123.1 Ų123.131%0.30764%0.643SS.*PPolyproline II helixtrans-48135.2169.7-62.5-89.5000111.9T124 Y125 M325 A363T124-F365 HydrophobicContact CG2-CD1 3.73Å; T124-F365 HydrophobicContact CG2-CE1 3.94Å; Y125-F365 AromaticContact CE1-CE1 3.76Å; Y125-F365 HydrophobicContact CE1-CE1 3.76Å; Y125-F365 HydrophobicContact CE1-CZ 4.25Å; M325-F365 HydrophobicContact CE-CD2 4.37Å; M325-F365 HydrophobicContact CE-CE2 4.15Å; M325-F365 HydrophobicContact CE-CZ 4.34Å; M325-F365 HydrophobicContact CG-CE1 3.93Å; M325-F365 HydrophobicContact CG-CE2 4.18Å; M325-F365 HydrophobicContact CG-CZ 3.54Å; M325-F365 HydrophobicContact SD-CD1 4.46Å; M325-F365 HydrophobicContact SD-CE1 4.05Å; M325-F365 HydrophobicContact SD-CE2 4.45Å; M325-F365 HydrophobicContact SD-CZ 4.05Å; A363-F365 WeakPolarHBondContact O-CD2 3.02Å; A363-F365 PolarHBondContact O-N 2.91Å
366R46Very low43Very low225 Ų225114.2 Ų114.285%0.84962%0.618SS**PPolyproline II helixtrans-86.1131.2147.1-80-176.3169.8-177.2-3.1106.9Y368R366-Y368 PolarHBondContact O-N 3.25Å; R366-Y368 VanDerWaalsContact O-N 3.16Å
367P43Very low43.2Very low123 Ų123117.3 Ų117.380%0.79964%0.638SS**PPolyproline II helixtrans-58121170.2-22.933.7000109.7N369P367-N369 PolarHBondContact O-N 3.47Å
368Y44.3Very low43.5Very low73 Ų73114.4 Ų114.429%0.28663%0.628SS.*  trans-73.6115.1160.3-179.8-108.5000106.8M120 R366 P370M120-Y368 HydrophobicContact CB-CD1 4.42Å; M120-Y368 HydrophobicContact CB-CE1 4.36Å; M120-Y368 HydrophobicContact CB-CG 4.5Å; M120-Y368 HydrophobicContact CG-CD1 3.7Å; M120-Y368 HydrophobicContact CG-CD2 4.04Å; M120-Y368 HydrophobicContact CG-CE1 4.14Å; M120-Y368 HydrophobicContact CG-CE2 4.47Å; M120-Y368 HydrophobicContact CG-CG 3.62Å; M120-Y368 HydrophobicContact SD-CD1 3.3Å; M120-Y368 WeakPolarHBondContact SD-CD1 3.47Å; M120-Y368 HydrophobicContact SD-CE1 3.91Å; M120-Y368 HydrophobicContact SD-CG 3.73Å; R366-Y368 PolarHBondContact O-N 3.25Å; R366-Y368 VanDerWaalsContact O-N 3.16Å; Y368-P370 HydrophobicContact CD1-CB 4.41Å; Y368-P370 HydrophobicContact CE1-CB 3.99Å; Y368-P370 WeakPolarHBondContact O-CD 3.11Å
369N43.6Very low44.4Very low140 Ų140111 Ų11175%0.74961%0.608SS**  trans-88.2110.9166.7-165.179.6000105.8P367 E371P367-N369 PolarHBondContact O-N 3.47Å; N369-E371 PolarHBondContact O-N 2.83Å
370P49.4Very low45.4Very low67 Ų67107.3 Ų107.344%0.43559%0.589SS.*PPolyproline II helixtrans-59136.8177.525.4-33.2000109Y368 E372Y368-P370 HydrophobicContact CD1-CB 4.41Å; Y368-P370 HydrophobicContact CE1-CB 3.99Å; Y368-P370 WeakPolarHBondContact O-CD 3.11Å; P370-E372 PolarHBondContact O-N 3.26Å
371E43.6Very low46.8Very low179 Ų179105.5 Ų105.584%0.83658%0.581SS**PPolyproline II helixtrans-66.7120.4162.7-66.5-172.1160.500106.5N369N369-E371 PolarHBondContact O-N 2.83Å
372E41.5Very low48.2Very low169 Ų169102.2 Ų102.279%0.7957%0.566SS**PPolyproline II helixtrans-58.3124.8179.6-69.4-177.6126.800108.7P370P370-E372 PolarHBondContact O-N 3.26Å
373P49.5Very low49.7Very low74 Ų7497.8 Ų97.848%0.48154%0.542SS..PPolyproline II helixtrans-58147.5170.426.5-33.6000108T375P373-T375 PolarHBondContact O-N 2.93Å; P373-T375 PolarHBondContact O-OG1 3.4Å
374P37.5Very low51.3Low119 Ų119100.9 Ų100.977%0.77354%0.541SS*.  trans-70.874.2-165.127.5-36.1000113.5T376P374-T376 PolarHBondContact O-N 3.43Å
375T37.8Very low53.1Low94 Ų9491 Ų9158%0.57751%0.505SS*.  trans-7464.817547.70000110.2P373P373-T375 PolarHBondContact O-N 2.93Å; P373-T375 PolarHBondContact O-OG1 3.4Å
376T40.9Very low54.5Low75 Ų7588 Ų8846%0.4649%0.492SS..  trans-51.2149.8165.858.20000110P374 A378 G379 R384P374-T376 PolarHBondContact O-N 3.43Å; T376-A378 PolarHBondContact O-N 3.04Å; T376-G379 PolarHBondContact O-N 3.23Å; T376-R384 PolarHBondContact OG1-NH2 3.2Å
377A42.5Very low56.2Low120 Ų12081.4 Ų81.499%0.99248%0.477SS*.THydrogen-bonded Turntrans-66.924.9-177.700000115.4
378A42.4Very low58.2Low67 Ų6777.5 Ų77.555%0.55445%0.45SS*.THydrogen-bonded Turntrans-140.639.3177.500000110.7T376 R384T376-A378 PolarHBondContact O-N 3.04Å; A378-R384 PolarHBondContact O-NE 3.14Å; A378-R384 PolarHBondContact O-NH2 3.09Å
379G54.1Low60.2Low24 Ų2474.1 Ų74.125%0.24744%0.436CS..  trans81.1175.3171.100000116.8T376 D383 R384T376-G379 PolarHBondContact O-N 3.23Å; G379-D383 WeakPolarHBondContact CA-OD2 3.15Å; G379-R384 PolarHBondContact O-NH2 3.27Å
380T62.9Low62.3Low37 Ų3771.8 Ų71.823%0.22742%0.419CS..  trans-75.3-176.2173.382.90000111.7E310 L382 D383E310-T380 PolarHBondContact OE1-OG1 2.67Å; E310-T380 VanDerWaalsContact OE1-OG1 3.1Å; E310-T380 WeakPolarHBondContact OE2-CB 3.37Å; E310-T380 WeakPolarHBondContact OE2-CG2 3.41Å; E310-T380 PolarHBondContact OE2-OG1 2.85Å; T380-L382 VanDerWaalsContact C-N 3.32Å; T380-L382 WeakPolarHBondContact OG1-CB 3.26Å; T380-L382 PolarHBondContact OG1-N 3.31Å; T380-D383 VanDerWaalsContact N-CG 3.31Å; T380-D383 PolarHBondContact N-OD2 3.33Å; T380-D383 PolarHBondContact OG1-N 2.91Å; T380-D383 PolarHBondContact OG1-OD1 3.01Å; T380-D383 VanDerWaalsContact OG1-OD1 3.05Å
381S71Confident64.1Low55 Ų5574.3 Ų74.339%0.38543%0.426SS..Hα-helixtrans-63-41.2168.81740000111.3L385S381-L385 WeakPolarHBondContact O-CG 3.35Å; S381-L385 PolarHBondContact O-N 3.31Å
382L76.4Confident66.3Low0 Ų069.1 Ų69.10%040%0.4CS..Hα-helixtrans-64.5-44.2-176.4-175.750.9000111.8F102 F105 F106 V299 L303 I309 E310 T380 R384 L385 V386F102-L382 HydrophobicContact CD1-CD1 4.29Å; F102-L382 HydrophobicContact CE1-CD1 3.76Å; F105-L382 HydrophobicContact CD1-CD1 4.19Å; F105-L382 HydrophobicContact CE1-CB 4.04Å; F105-L382 HydrophobicContact CE1-CD1 3.8Å; F105-L382 HydrophobicContact CE1-CD2 4.07Å; F105-L382 HydrophobicContact CE1-CG 4.19Å; F105-L382 HydrophobicContact CE2-CB 4.5Å; F105-L382 HydrophobicContact CZ-CB 3.8Å; F105-L382 HydrophobicContact CZ-CD1 4.43Å; F105-L382 HydrophobicContact CZ-CD2 4.38Å; F105-L382 HydrophobicContact CZ-CG 4.42Å; F106-L382 HydrophobicContact CE1-CD1 4.49Å; F106-L382 HydrophobicContact CZ-CD1 4.47Å; V299-L382 HydrophobicContact CG1-CD2 4.43Å; L303-L382 HydrophobicContact CD2-CB 4.4Å; L303-L382 HydrophobicContact CD2-CD2 3.81Å; L303-L382 HydrophobicContact CD2-CG 4.11Å; I309-L382 HydrophobicContact CG2-CD2 4.25Å; E310-L382 HydrophobicContact CG-CD2 4.23Å; T380-L382 VanDerWaalsContact C-N 3.32Å; T380-L382 WeakPolarHBondContact OG1-CB 3.26Å; T380-L382 PolarHBondContact OG1-N 3.31Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.11Å; L382-L385 WeakPolarHBondContact O-CB 3.3Å; L382-L385 PolarHBondContact O-N 3.24Å; L382-L385 VanDerWaalsContact O-N 3.17Å; L382-V386 HydrophobicContact CD1-CG2 4.01Å; L382-V386 HydrophobicContact CG-CG2 4.45Å; L382-V386 WeakPolarHBondContact O-CG2 3.44Å; L382-V386 PolarHBondContact O-N 3.25Å
383D74Confident68.6Low43 Ų4361.1 Ų61.123%0.2336%0.363CS..Hα-helixtrans-52.7-48.9-179.8-55.42.9000111.8L303 G379 T380 V386 V387L303-D383 HydrophobicContact CD1-CB 4.49Å; L303-D383 WeakPolarHBondContact CD1-OD1 3.41Å; L303-D383 WeakPolarHBondContact CD2-OD1 3.37Å; G379-D383 WeakPolarHBondContact CA-OD2 3.15Å; T380-D383 VanDerWaalsContact N-CG 3.31Å; T380-D383 PolarHBondContact N-OD2 3.33Å; T380-D383 PolarHBondContact OG1-N 2.91Å; T380-D383 PolarHBondContact OG1-OD1 3.01Å; T380-D383 VanDerWaalsContact OG1-OD1 3.05Å; D383-V386 PolarHBondContact O-N 3.4Å; D383-V387 WeakPolarHBondContact O-CG2 3.43Å; D383-V387 PolarHBondContact O-N 3.1Å
384R79.6Confident70.5Confident130 Ų13065.2 Ų65.249%0.49137%0.373SS..Hα-helixtrans-67.7-39.3-177.4-63.9179.5-173.6156.712111.7T376 A378 G379 L382 D388T376-R384 PolarHBondContact OG1-NH2 3.2Å; A378-R384 PolarHBondContact O-NE 3.14Å; A378-R384 PolarHBondContact O-NH2 3.09Å; G379-R384 PolarHBondContact O-NH2 3.27Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.11Å; R384-D388 PolarHBondContact O-N 3.39Å
385L82Confident73Confident27 Ų2766.5 Ų66.514%0.14137%0.372CS..Hα-helixtrans-61.5-49.7173.9-67.2174.1000110.3R101 F102 F105 S381 L382 V387 D388 I389R101-L385 HydrophobicContact CG-CD1 4.3Å; R101-L385 HydrophobicContact CG-CD2 3.61Å; F102-L385 HydrophobicContact CD1-CD1 4.48Å; F102-L385 HydrophobicContact CE1-CB 3.76Å; F102-L385 HydrophobicContact CE1-CD1 4.36Å; F102-L385 HydrophobicContact CE2-CB 4.26Å; F102-L385 HydrophobicContact CZ-CB 3.56Å; F105-L385 HydrophobicContact CB-CD1 4.19Å; F105-L385 HydrophobicContact CD2-CD1 4.44Å; F105-L385 HydrophobicContact CG-CD1 4.2Å; S381-L385 WeakPolarHBondContact O-CG 3.35Å; S381-L385 PolarHBondContact O-N 3.31Å; L382-L385 WeakPolarHBondContact O-CB 3.3Å; L382-L385 PolarHBondContact O-N 3.24Å; L382-L385 VanDerWaalsContact O-N 3.17Å; L385-V387 PolarHBondContact O-N 3.37Å; L385-D388 PolarHBondContact O-N 2.86Å; L385-I389 WeakPolarHBondContact O-CG2 3.17Å; L385-I389 PolarHBondContact O-N 2.03Å
386V82.6Confident75.6Confident6 Ų662.3 Ų62.34%0.03635%0.347CS..Hα-helixtrans-65.6-37-177.5-178.90000112.3F102 M296 A300 L382 D383 K390F102-V386 HydrophobicContact CE1-CG2 3.98Å; F102-V386 HydrophobicContact CZ-CG2 3.95Å; M296-V386 HydrophobicContact CB-CG1 4.12Å; M296-V386 HydrophobicContact CE-CG1 4.23Å; A300-V386 HydrophobicContact CB-CB 4.36Å; A300-V386 HydrophobicContact CB-CG1 3.79Å; L382-V386 HydrophobicContact CD1-CG2 4.01Å; L382-V386 HydrophobicContact CG-CG2 4.45Å; L382-V386 WeakPolarHBondContact O-CG2 3.44Å; L382-V386 PolarHBondContact O-N 3.25Å; D383-V386 PolarHBondContact O-N 3.4Å; V386-K390 WeakPolarHBondContact O-CB 3.24Å; V386-K390 PolarHBondContact O-N 2.95Å
387V82.4Confident78Confident87 Ų8763 Ų6353%0.52734%0.344SS..Hα-helixtrans-61.9-50.4174.2170.70000111.4D383 L385 K390 E391D383-V387 WeakPolarHBondContact O-CG2 3.43Å; D383-V387 PolarHBondContact O-N 3.1Å; L385-V387 PolarHBondContact O-N 3.37Å; V387-K390 WeakPolarHBondContact O-CB 3.5Å; V387-K390 PolarHBondContact O-N 3.02Å; V387-E391 PolarHBondContact O-N 2.95Å
388D84.6Confident80.4Confident42 Ų4263.8 Ų63.823%0.22533%0.325CS..Hα-helixtrans-65-47.3-178.6157.994.4000112.3R98 R384 L385 K390 E391 K392R98-D388 IonicContact CZ-OD2 2.69Å; R98-D388 IonicContact NE-OD2 3.24Å; R98-D388 PolarHBondContact NE-OD2 3.4Å; R98-D388 IonicContact NH2-OD1 3.21Å; R98-D388 PolarHBondContact NH2-OD1 2.94Å; R98-D388 IonicContact NH2-OD2 2.66Å; R98-D388 PolarHBondContact NH2-OD2 2.86Å; R384-D388 PolarHBondContact O-N 3.39Å; L385-D388 PolarHBondContact O-N 2.86Å; D388-K390 VanDerWaalsContact C-N 3.27Å; D388-K390 PolarHBondContact O-N 3.34Å; D388-E391 PolarHBondContact O-N 3.26Å; D388-E391 VanDerWaalsContact O-N 3.15Å; D388-K392 WeakPolarHBondContact O-CG 3.34Å; D388-K392 PolarHBondContact O-N 3.38Å; D388-K392 WeakPolarHBondContact OD1-CE 3.46Å; D388-K392 IonicContact OD1-NZ 2.7Å
389I86.4Confident83Confident1 Ų161.7 Ų61.71%0.00530%0.303CS..Hα-helixtrans-64-33.7178.3-175.7176000111.5R98 F102 F218 L222 M296 L385 E391 K392 L393R98-I389 HydrophobicContact CB-CD1 3.77Å; R98-I389 HydrophobicContact CB-CG1 4.23Å; R98-I389 HydrophobicContact CG-CB 4.34Å; R98-I389 HydrophobicContact CG-CD1 4.3Å; R98-I389 HydrophobicContact CG-CG1 4.21Å; F102-I389 HydrophobicContact CD2-CD1 4.39Å; F102-I389 HydrophobicContact CE2-CB 4.1Å; F102-I389 HydrophobicContact CE2-CD1 3.92Å; F102-I389 HydrophobicContact CE2-CG2 3.51Å; F102-I389 HydrophobicContact CZ-CG2 3.7Å; F218-I389 HydrophobicContact CZ-CD1 4.27Å; L222-I389 HydrophobicContact CD1-CD1 3.61Å; L222-I389 HydrophobicContact CD2-CD1 3.57Å; L222-I389 HydrophobicContact CG-CD1 4.25Å; M296-I389 HydrophobicContact CE-CB 4.15Å; M296-I389 HydrophobicContact CE-CG1 4.16Å; M296-I389 HydrophobicContact CE-CG2 3.29Å; M296-I389 HydrophobicContact SD-CD1 4.21Å; M296-I389 HydrophobicContact SD-CG1 4.31Å; M296-I389 HydrophobicContact SD-CG2 4.08Å; L385-I389 WeakPolarHBondContact O-CG2 3.17Å; L385-I389 PolarHBondContact O-N 2.03Å; I389-E391 VanDerWaalsContact C-N 3.28Å; I389-E391 PolarHBondContact O-N 2.04Å; I389-K392 PolarHBondContact O-N 2.84Å; I389-K392 VanDerWaalsContact O-N 3.17Å; I389-L393 HydrophobicContact CD1-CD1 4.17Å; I389-L393 HydrophobicContact CD1-CG 4.48Å; I389-L393 HydrophobicContact CG1-CD1 3.86Å; I389-L393 HydrophobicContact CG1-CG 3.87Å; I389-L393 WeakPolarHBondContact O-CB 3.47Å; I389-L393 WeakPolarHBondContact O-CG 3.43Å; I389-L393 PolarHBondContact O-N 3.06Å
390K86.1Confident85Confident91 Ų9160.6 Ų60.640%0.39629%0.292SS..Hα-helixtrans-61.1-38176.4175.3-177.8178.4-173.70111.3T293 M296 V386 V387 D388 K394T293-K390 HydrophobicContact CG2-CG 4.27Å; M296-K390 HydrophobicContact CE-CB 3.78Å; V386-K390 WeakPolarHBondContact O-CB 3.24Å; V386-K390 PolarHBondContact O-N 2.95Å; V387-K390 WeakPolarHBondContact O-CB 3.5Å; V387-K390 PolarHBondContact O-N 3.02Å; D388-K390 VanDerWaalsContact C-N 3.27Å; D388-K390 PolarHBondContact O-N 3.34Å; K390-K394 WeakPolarHBondContact O-CB 3.1Å; K390-K394 PolarHBondContact O-N 3.34Å
391E87.7Confident86.4Confident121 Ų12159.9 Ų59.957%0.56529%0.288SS*.Hα-helixtrans-68.5-45.9172.3-65.7-169.5157.400112.1V387 D388 I389 L393 K394 L395V387-E391 PolarHBondContact O-N 2.95Å; D388-E391 PolarHBondContact O-N 3.26Å; D388-E391 VanDerWaalsContact O-N 3.15Å; I389-E391 VanDerWaalsContact C-N 3.28Å; I389-E391 PolarHBondContact O-N 2.04Å; E391-L393 PolarHBondContact O-N 2.92Å; E391-K394 WeakPolarHBondContact O-CB 3.02Å; E391-K394 PolarHBondContact O-N 2.78Å; E391-L395 PolarHBondContact O-N 3.41Å
392K90.1Very high87.6Confident69 Ų6959.5 Ų59.530%0.329%0.285SS..Hα-helixtrans-63.9-39.6-180-53.5-47.2178.2-160.80113T94 D388 I389 K394 L395 S396T94-K392 HydrophobicContact CG2-CB 3.59Å; T94-K392 HydrophobicContact CG2-CG 4.1Å; D388-K392 WeakPolarHBondContact O-CG 3.34Å; D388-K392 PolarHBondContact O-N 3.38Å; D388-K392 WeakPolarHBondContact OD1-CE 3.46Å; D388-K392 IonicContact OD1-NZ 2.7Å; I389-K392 PolarHBondContact O-N 2.84Å; I389-K392 VanDerWaalsContact O-N 3.17Å; K392-K394 VanDerWaalsContact C-N 3.33Å; K392-L395 WeakPolarHBondContact O-CB 3.3Å; K392-L395 PolarHBondContact O-N 3.32Å; K392-S396 PolarHBondContact O-N 3.08Å; K392-S396 PolarHBondContact O-OG 2.97Å
393L89.9Confident88.4Confident1 Ų159.5 Ų59.51%0.00529%0.286CS..Hα-helixtrans-67.6-33.2175.5-69.9177.5000112.1F95 I289 V292 M296 I389 E391 L395 S396 K397F95-L393 HydrophobicContact CE1-CD2 3.88Å; F95-L393 HydrophobicContact CE2-CD2 3.97Å; F95-L393 HydrophobicContact CZ-CD2 3.33Å; I289-L393 HydrophobicContact CD1-CD2 3.77Å; I289-L393 HydrophobicContact CG2-CB 4.26Å; I289-L393 VanDerWaalsContact CG2-O 3.29Å; I289-L393 WeakPolarHBondContact CG2-O 3.33Å; V292-L393 HydrophobicContact CB-CD1 4.49Å; V292-L393 HydrophobicContact CG1-CD1 3.6Å; M296-L393 HydrophobicContact CE-CD1 3.95Å; M296-L393 HydrophobicContact SD-CD1 3.35Å; M296-L393 WeakPolarHBondContact SD-CD1 3.34Å; I389-L393 HydrophobicContact CD1-CD1 4.17Å; I389-L393 HydrophobicContact CD1-CG 4.48Å; I389-L393 HydrophobicContact CG1-CD1 3.86Å; I389-L393 HydrophobicContact CG1-CG 3.87Å; I389-L393 WeakPolarHBondContact O-CB 3.47Å; I389-L393 WeakPolarHBondContact O-CG 3.43Å; I389-L393 PolarHBondContact O-N 3.06Å; E391-L393 PolarHBondContact O-N 2.92Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 2.95Å; L393-S396 WeakPolarHBondContact O-CA 3.47Å; L393-S396 WeakPolarHBondContact O-CB 3.3Å; L393-S396 PolarHBondContact O-N 3.43Å; L393-K397 PolarHBondContact O-N 3.27Å
394K89.1Confident89.5Confident161 Ų16157.6 Ų57.670%0.728%0.276SS*.Hα-helixtrans-62.4-36.2173.8-163.4179.9-177.2-173.60112K390 E391 K392 S396K390-K394 WeakPolarHBondContact O-CB 3.1Å; K390-K394 PolarHBondContact O-N 3.34Å; E391-K394 WeakPolarHBondContact O-CB 3.02Å; E391-K394 PolarHBondContact O-N 2.78Å; K392-K394 VanDerWaalsContact C-N 3.33Å; K394-S396 VanDerWaalsContact C-N 3.29Å
395L89.8Confident90.2Very high145 Ų14555.7 Ų55.776%0.75927%0.272SS*.Hα-helixtrans-72.9-17.7171.4-60.2174000113.5E391 K392 L393E391-L395 PolarHBondContact O-N 3.41Å; K392-L395 WeakPolarHBondContact O-CB 3.3Å; K392-L395 PolarHBondContact O-N 3.32Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 2.95Å
396S92.3Very high90.7Very high7 Ų756.5 Ų56.55%0.04928%0.283CS..THydrogen-bonded Turntrans-86.3-4.8179.8-54.90000113.6L91 W285 K392 L393 K394L91-S396 WeakPolarHBondContact CD1-OG 3.13Å; W285-S396 PolarHBondContact NE1-O 3.16Å; K392-S396 PolarHBondContact O-N 3.08Å; K392-S396 PolarHBondContact O-OG 2.97Å; L393-S396 WeakPolarHBondContact O-CA 3.47Å; L393-S396 WeakPolarHBondContact O-CB 3.3Å; L393-S396 PolarHBondContact O-N 3.43Å; K394-S396 VanDerWaalsContact C-N 3.29Å
397K92.3Very high91.3Very high89 Ų8956.2 Ų56.239%0.38728%0.281SS..THydrogen-bonded Turntrans-70.8145.1174.6-68.5-167.8174.4-170.90110.8N286 I289 L393 F399N286-K397 WeakPolarHBondContact OD1-CA 3.27Å; I289-K397 HydrophobicContact CB-CG 4.28Å; I289-K397 HydrophobicContact CG2-CD 4.26Å; I289-K397 HydrophobicContact CG2-CG 3.52Å; L393-K397 PolarHBondContact O-N 3.27Å; K397-F399 PolarHBondContact O-N 3.02Å
398K93.3Very high91.9Very high136 Ų13652.2 Ų52.259%0.59126%0.257SS*.THydrogen-bonded Turntrans57.814.9-174.6-60.2-170.9174.2-168.70116D282 N286 W400 S401 S402D282-K398 VanDerWaalsContact OD1-C 3.3Å; D282-K398 VanDerWaalsContact OD1-CA 3.3Å; D282-K398 WeakPolarHBondContact OD1-CA 3.34Å; N286-K398 PolarHBondContact OD1-N 3.39Å; K398-W400 PolarHBondContact O-N 3.29Å; K398-S401 PolarHBondContact O-N 3.32Å; K398-S401 PolarHBondContact O-OG 3.42Å; K398-S401 VanDerWaalsContact O-OG 3.06Å; K398-S402 VanDerWaalsContact O-CB 3.32Å; K398-S402 WeakPolarHBondContact O-CB 3.36Å; K398-S402 PolarHBondContact O-N 3.4Å; K398-S402 PolarHBondContact O-OG 3.04Å; K398-S402 VanDerWaalsContact O-OG 3.06Å
399F95.6Very high92.2Very high24 Ų2453.2 Ų53.211%0.10527%0.265CS..Hα-helixtrans-52.6-51.8-175.1176.5-92.9000112.3L91 K397 S401 S402 L403L91-F399 HydrophobicContact CB-CD2 4.43Å; L91-F399 HydrophobicContact CB-CE2 4.14Å; L91-F399 HydrophobicContact CB-CZ 4.34Å; L91-F399 HydrophobicContact CD2-CD1 3.57Å; L91-F399 HydrophobicContact CD2-CD2 4.19Å; L91-F399 HydrophobicContact CD2-CE1 3.66Å; L91-F399 HydrophobicContact CD2-CE2 4.27Å; L91-F399 HydrophobicContact CD2-CG 3.85Å; L91-F399 HydrophobicContact CD2-CZ 4.03Å; K397-F399 PolarHBondContact O-N 3.02Å; F399-S401 PolarHBondContact O-N 3.24Å; F399-S402 WeakPolarHBondContact CA-OG 3.3Å; F399-S402 PolarHBondContact O-N 3.06Å; F399-S402 VanDerWaalsContact O-N 3.16Å; F399-S402 PolarHBondContact O-OG 3.26Å; F399-L403 HydrophobicContact CD1-CG 4.48Å; F399-L403 HydrophobicContact CE1-CD1 4.07Å; F399-L403 HydrophobicContact CE1-CD2 3.82Å; F399-L403 HydrophobicContact CE1-CG 3.99Å; F399-L403 HydrophobicContact CE2-CD2 4.22Å; F399-L403 HydrophobicContact CZ-CD2 3.56Å; F399-L403 HydrophobicContact CZ-CG 4.22Å; F399-L403 PolarHBondContact O-N 3.47Å
400W95.9Very high92.1Very high1 Ų156.2 Ų56.20%0.00428%0.279CS..Hα-helixtrans-65.8-39.6-175.5-58.7113.2000113.4L91 V232 Q278 L281 D282 W285 K398 S402 L403L91-W400 HydrophobicContact CD2-CZ2 4.3Å; V232-W400 HydrophobicContact CB-CH2 3.58Å; V232-W400 HydrophobicContact CB-CZ2 4.06Å; V232-W400 HydrophobicContact CB-CZ3 3.98Å; V232-W400 HydrophobicContact CG1-CD2 4.41Å; V232-W400 HydrophobicContact CG1-CE3 3.86Å; V232-W400 HydrophobicContact CG1-CH2 3.52Å; V232-W400 HydrophobicContact CG1-CZ2 4.06Å; V232-W400 HydrophobicContact CG1-CZ3 3.39Å; Q278-W400 HydrophobicContact CB-CE3 4.32Å; Q278-W400 WeakPolarHBondContact O-CB 3.34Å; L281-W400 HydrophobicContact CB-CG 4.12Å; D282-W400 HydrophobicContact CB-CB 4.23Å; W285-W400 AromaticContact CD1-CD1 3.69Å; W285-W400 AromaticContact CD1-NE1 3.86Å; W285-W400 AromaticContact CD2-CD1 3.94Å; W285-W400 AromaticContact CD2-NE1 3.35Å; W285-W400 AromaticContact CE2-NE1 3.84Å; W285-W400 AromaticContact CE3-NE1 3.7Å; W285-W400 AromaticContact CG-CD1 3.46Å; W285-W400 VanDerWaalsContact CG-CD1 3.46Å; W285-W400 AromaticContact CG-NE1 3.42Å; K398-W400 PolarHBondContact O-N 3.29Å; W400-S402 VanDerWaalsContact C-N 3.34Å; W400-L403 HydrophobicContact CE3-CD1 3.7Å; W400-L403 HydrophobicContact CZ3-CD1 4.05Å
401S93.9Very high91.9Very high21 Ų2157.1 Ų57.115%0.14729%0.287CS..Hα-helixtrans-71.1-26.3173.852.90000113.5D282 K398 F399 P404D282-S401 WeakPolarHBondContact OD1-CB 3.42Å; D282-S401 PolarHBondContact OD1-N 2.91Å; D282-S401 PolarHBondContact OD1-OG 3.06Å; D282-S401 PolarHBondContact OD2-OG 2.86Å; K398-S401 PolarHBondContact O-N 3.32Å; K398-S401 PolarHBondContact O-OG 3.42Å; K398-S401 VanDerWaalsContact O-OG 3.06Å; F399-S401 PolarHBondContact O-N 3.24Å; S401-P404 WeakPolarHBondContact O-CD 3.49Å
402S94.9Very high91.7Very high47 Ų4757.9 Ų57.933%0.32929%0.285SS..Hα-helixtrans-87.7-6.7179.570.30000115.6K398 F399 W400 P404 E405 A406K398-S402 VanDerWaalsContact O-CB 3.32Å; K398-S402 WeakPolarHBondContact O-CB 3.36Å; K398-S402 PolarHBondContact O-N 3.4Å; K398-S402 PolarHBondContact O-OG 3.04Å; K398-S402 VanDerWaalsContact O-OG 3.06Å; F399-S402 WeakPolarHBondContact CA-OG 3.3Å; F399-S402 PolarHBondContact O-N 3.06Å; F399-S402 VanDerWaalsContact O-N 3.16Å; F399-S402 PolarHBondContact O-OG 3.26Å; W400-S402 VanDerWaalsContact C-N 3.34Å; S402-P404 VanDerWaalsContact C-CD 3.5Å; S402-E405 PolarHBondContact O-N 2.93Å; S402-A406 WeakPolarHBondContact O-CB 3.4Å; S402-A406 PolarHBondContact O-N 2.72Å
403L94.8Very high91.4Very high1 Ų155.6 Ų55.61%0.00528%0.277CS..Hα-helixtrans-55.8-45-179.8-82.4176.4000113.6L84 T87 L275 F399 W400 E405 A406 M407L84-L403 HydrophobicContact CD1-CD1 3.99Å; L84-L403 HydrophobicContact CD1-CD2 4.18Å; T87-L403 HydrophobicContact CG2-CD2 3.66Å; L275-L403 HydrophobicContact CD1-CB 3.73Å; L275-L403 HydrophobicContact CD1-CD1 4.31Å; L275-L403 HydrophobicContact CD2-CD1 4.49Å; F399-L403 HydrophobicContact CD1-CG 4.48Å; F399-L403 HydrophobicContact CE1-CD1 4.07Å; F399-L403 HydrophobicContact CE1-CD2 3.82Å; F399-L403 HydrophobicContact CE1-CG 3.99Å; F399-L403 HydrophobicContact CE2-CD2 4.22Å; F399-L403 HydrophobicContact CZ-CD2 3.56Å; F399-L403 HydrophobicContact CZ-CG 4.22Å; F399-L403 PolarHBondContact O-N 3.47Å; W400-L403 HydrophobicContact CE3-CD1 3.7Å; W400-L403 HydrophobicContact CZ3-CD1 4.05Å; L403-E405 VanDerWaalsContact C-N 3.34Å; L403-E405 PolarHBondContact O-N 3.08Å; L403-A406 PolarHBondContact O-N 2.83Å; L403-M407 WeakPolarHBondContact O-CB 3.47Å; L403-M407 VanDerWaalsContact O-CG 3.22Å; L403-M407 WeakPolarHBondContact O-CG 3.33Å; L403-M407 PolarHBondContact O-N 3.27Å
404P95.6Very high91.3Very high3 Ų355.6 Ų55.62%0.01928%0.277CS..Hα-helixtrans-57.2-45.6178.6-24.835.4000112.6L268 M271 K272 L275 S401 S402 M407 C408L268-P404 HydrophobicContact CD2-CB 3.97Å; M271-P404 HydrophobicContact CB-CB 3.86Å; M271-P404 HydrophobicContact CB-CG 4.46Å; K272-P404 HydrophobicContact CG-CB 3.81Å; K272-P404 HydrophobicContact CG-CG 3.52Å; L275-P404 HydrophobicContact CD1-CG 4.42Å; S401-P404 WeakPolarHBondContact O-CD 3.49Å; S402-P404 VanDerWaalsContact C-CD 3.5Å; P404-M407 PolarHBondContact O-N 3.36Å; P404-C408 VanDerWaalsContact O-CB 3.27Å; P404-C408 WeakPolarHBondContact O-CB 3.26Å; P404-C408 PolarHBondContact O-N 2.03Å; P404-C408 PolarHBondContact O-SG 2.86Å
405E94.4Very high91Very high89 Ų8949.2 Ų49.242%0.41625%0.254SS..Hα-helixtrans-68.1-37.8178.5-66.971-160.300111.9L268 K272 S402 L403 M407L268-E405 HydrophobicContact CD2-CB 4.45Å; L268-E405 HydrophobicContact CD2-CG 3.91Å; K272-E405 VanDerWaalsContact CE-OE1 3.27Å; K272-E405 WeakPolarHBondContact CE-OE1 3.25Å; K272-E405 IonicContact NZ-OE1 2.72Å; K272-E405 PolarHBondContact NZ-OE1 3.19Å; K272-E405 IonicContact NZ-OE2 2.67Å; S402-E405 PolarHBondContact O-N 2.93Å; L403-E405 VanDerWaalsContact C-N 3.34Å; L403-E405 PolarHBondContact O-N 3.08Å; E405-M407 VanDerWaalsContact C-N 3.34Å
406A93.9Very high90.3Very high45 Ų4542.9 Ų42.937%0.37222%0.224SC..Hα-helixtrans-73.2-22.317700000113.7T87 S402 L403 V409T87-A406 HydrophobicContact CG2-CB 3.75Å; S402-A406 WeakPolarHBondContact O-CB 3.4Å; S402-A406 PolarHBondContact O-N 2.72Å; L403-A406 PolarHBondContact O-N 2.83Å; A406-V409 WeakPolarHBondContact O-CG2 3.35Å
407M94.8Very high88.9Confident0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-92-35.2176.4-68175.872.100112.2F80 L83 L84 T87 M271 L275 L403 P404 E405 V409 V413F80-M407 HydrophobicContact CD2-CE 3.68Å; F80-M407 HydrophobicContact CE2-CE 3.67Å; F80-M407 HydrophobicContact CZ-CE 4.49Å; L83-M407 HydrophobicContact CB-CE 4.03Å; L83-M407 HydrophobicContact CD2-CB 3.87Å; L83-M407 HydrophobicContact CD2-CE 3.93Å; L83-M407 HydrophobicContact CD2-CG 4.3Å; L83-M407 HydrophobicContact CG-CB 4.16Å; L83-M407 HydrophobicContact CG-CE 3.81Å; L83-M407 HydrophobicContact CG-CG 4.06Å; L84-M407 HydrophobicContact CB-CE 4.09Å; L84-M407 HydrophobicContact CD1-SD 4.22Å; T87-M407 HydrophobicContact CG2-CG 4.3Å; M271-M407 HydrophobicContact CE-CB 4.23Å; M271-M407 HydrophobicContact CE-CE 4.3Å; M271-M407 HydrophobicContact SD-CE 4.21Å; L275-M407 HydrophobicContact CD1-SD 3.89Å; L403-M407 WeakPolarHBondContact O-CB 3.47Å; L403-M407 VanDerWaalsContact O-CG 3.22Å; L403-M407 WeakPolarHBondContact O-CG 3.33Å; L403-M407 PolarHBondContact O-N 3.27Å; P404-M407 PolarHBondContact O-N 3.36Å; E405-M407 VanDerWaalsContact C-N 3.34Å; M407-V409 PolarHBondContact O-N 2.86Å; M407-V413 WeakPolarHBondContact O-CG2 3.33Å
408C94.7Very high87.2Confident2 Ų248.6 Ų48.61%0.01427%0.269CS..SBendtrans-79.136.2-179.6-68.80000114.8C267 L268 M271 P404 E410 T414C267-C408 HydrophobicContact CB-CB 3.84Å; C267-C408 WeakPolarHBondContact CB-SG 3.23Å; C267-C408 PolarHBondContact O-SG 3.4Å; C267-C408 VanDerWaalsContact SG-CA 3.51Å; C267-C408 WeakPolarHBondContact SG-CB 3.43Å; C267-C408 CovalentContact SG-SG 2.04Å; C267-C408 PolarHBondContact SG-SG 3.06Å; L268-C408 HydrophobicContact CD2-CB 4.15Å; M271-C408 WeakPolarHBondContact CG-SG 3.06Å; P404-C408 VanDerWaalsContact O-CB 3.27Å; P404-C408 WeakPolarHBondContact O-CB 3.26Å; P404-C408 PolarHBondContact O-N 2.03Å; P404-C408 PolarHBondContact O-SG 2.86Å; C408-E410 PolarHBondContact O-N 3.05Å; C408-T414 HydrophobicContact CB-CG2 4.01Å; C408-T414 WeakPolarHBondContact O-CG2 3.46Å; C408-T414 PolarHBondContact O-OG1 2.92Å
409V90.1Very high85.7Confident64 Ų6445.6 Ų45.639%0.38827%0.266SS..  trans-57.9129.9-174.2-172.10000111.7A406 M407 R412 V413 T414A406-V409 WeakPolarHBondContact O-CG2 3.35Å; M407-V409 PolarHBondContact O-N 2.86Å; V409-R412 HydrophobicContact CB-CB 4.22Å; V409-R412 HydrophobicContact CG1-CB 4.33Å; V409-R412 PolarHBondContact O-N 3.06Å; V409-V413 PolarHBondContact O-N 2.77Å; V409-T414 PolarHBondContact O-N 2.78Å; V409-T414 VanDerWaalsContact O-N 3.11Å; V409-T414 PolarHBondContact O-OG1 3.27Å
410E85.2Confident84.4Confident64 Ų6449 Ų4930%0.29929%0.285SS..BIsolated β-bridgetrans-58.5142.9175.5-74.1163.2-136.900111.5K264 C408 R412 T414 N417K264-E410 HydrophobicContact CD-CG 4.42Å; K264-E410 WeakPolarHBondContact CE-OE1 3.49Å; K264-E410 IonicContact NZ-OE1 2.63Å; K264-E410 PolarHBondContact NZ-OE1 3.5Å; C408-E410 PolarHBondContact O-N 3.05Å; E410-R412 PolarHBondContact O-N 3.25Å; E410-T414 WeakPolarHBondContact CA-OG1 3.22Å; E410-T414 PolarHBondContact N-OG1 3.07Å; E410-N417 PolarHBondContact OE2-ND2 2.86Å
411D81.3Confident83.5Confident109 Ų10953.6 Ų53.658%0.58331%0.309SS*.THydrogen-bonded Turntrans58.4-19.2-175.2-64.7-43000117K261 T414 G416K261-D411 PolarHBondContact NZ-O 3.01Å; D411-T414 WeakPolarHBondContact CA-O 3.11Å; D411-T414 PolarHBondContact N-O 2.83Å; D411-G416 WeakPolarHBondContact OD1-CA 3.44Å; D411-G416 PolarHBondContact OD1-N 3.04Å; D411-G416 VanDerWaalsContact OD1-N 3.15Å
412R84.2Confident83.2Confident137 Ų13756.7 Ų56.752%0.51733%0.325SS..THydrogen-bonded Turntrans-81-56.8166.5-173.5-173176.31753.6111.5E86 V409 E410E86-R412 IonicContact OE1-CZ 2.79Å; E86-R412 IonicContact OE1-NH2 2.99Å; E86-R412 PolarHBondContact OE1-NH2 3.24Å; E86-R412 IonicContact OE2-CZ 3.15Å; E86-R412 IonicContact OE2-NH1 3.19Å; E86-R412 PolarHBondContact OE2-NH1 3.38Å; E86-R412 IonicContact OE2-NH2 2.82Å; E86-R412 PolarHBondContact OE2-NH2 3.46Å; V409-R412 HydrophobicContact CB-CB 4.22Å; V409-R412 HydrophobicContact CG1-CB 4.33Å; V409-R412 PolarHBondContact O-N 3.06Å; E410-R412 PolarHBondContact O-N 3.25Å
413V83.8Confident83.1Confident22 Ų2255 Ų5513%0.13331%0.312CS..THydrogen-bonded Turntrans-113.8-45.1-171.8179.60000110.9L83 P262 M407 V409L83-V413 HydrophobicContact CD2-CG2 4.14Å; P262-V413 WeakPolarHBondContact CD-O 3.39Å; P262-V413 WeakPolarHBondContact CG-O 3.41Å; M407-V413 WeakPolarHBondContact O-CG2 3.33Å; V409-V413 PolarHBondContact O-N 2.77Å
414T87.6Confident83.1Confident0 Ų054.9 Ų54.90%031%0.312CS..BIsolated β-bridgetrans-99.8164.3179.655.20000111.3K261 P262 C267 C408 V409 E410 D411K261-T414 WeakPolarHBondContact CD-O 3.22Å; P262-T414 VanDerWaalsContact O-CA 3.31Å; P262-T414 WeakPolarHBondContact O-CA 3.07Å; P262-T414 WeakPolarHBondContact O-CB 3.44Å; C267-T414 HydrophobicContact CB-CG2 3.48Å; C267-T414 VanDerWaalsContact CB-CG2 3.48Å; C408-T414 HydrophobicContact CB-CG2 4.01Å; C408-T414 WeakPolarHBondContact O-CG2 3.46Å; C408-T414 PolarHBondContact O-OG1 2.92Å; V409-T414 PolarHBondContact O-N 2.78Å; V409-T414 VanDerWaalsContact O-N 3.11Å; V409-T414 PolarHBondContact O-OG1 3.27Å; E410-T414 WeakPolarHBondContact CA-OG1 3.22Å; E410-T414 PolarHBondContact N-OG1 3.07Å; D411-T414 WeakPolarHBondContact CA-O 3.11Å; D411-T414 PolarHBondContact N-O 2.83Å
415A83.8Confident83Confident27 Ų2755.9 Ų55.922%0.22332%0.317CS..  trans-66133.616700000109.8K261 P262 C423K261-A415 HydrophobicContact CB-CB 4.2Å; P262-A415 PolarHBondContact O-N 3.47Å; A415-C423 HydrophobicContact CB-CB 3.68Å
416G74Confident82.9Confident12 Ų1251.7 Ų51.712%0.12430%0.297CS..  trans-65.6177.616800000112.5D411 A418D411-G416 WeakPolarHBondContact OD1-CA 3.44Å; D411-G416 PolarHBondContact OD1-N 3.04Å; D411-G416 VanDerWaalsContact OD1-N 3.15Å; G416-A418 PolarHBondContact O-N 3.05Å
417N63.9Low82.8Confident137 Ų13754.6 Ų54.673%0.73330%0.303SS*.SBendtrans-70.327.1-168.6-55.4-72.4000116.1E410 S419E410-N417 PolarHBondContact OE2-ND2 2.86Å; N417-S419 PolarHBondContact O-N 2.91Å
418A55.1Low82.6Confident79 Ų7957 Ų5765%0.65332%0.318SS*.SBendtrans-77.661.4174.900000111.6G416G416-A418 PolarHBondContact O-N 3.05Å
419S62.2Low82.5Confident74 Ų7461.2 Ų61.252%0.51734%0.336SS..  trans64.8135.2-175.270.40000116.6N417 D421 D422N417-S419 PolarHBondContact O-N 2.91Å; S419-D421 PolarHBondContact O-N 2.97Å; S419-D422 PolarHBondContact O-N 3.18Å
420D68.1Low82.6Confident95 Ų9558.9 Ų58.951%0.50833%0.325SS..THydrogen-bonded Turntrans-53.2-23.1177-100.625.2000114.2C423 R431D420-C423 PolarHBondContact O-SG 2.04Å; D420-C423 VanDerWaalsContact O-SG 3.36Å; D420-R431 HydrophobicContact CB-CG 4.16Å; D420-R431 WeakPolarHBondContact O-CA 3.03Å; D420-R431 IonicContact OD2-CZ 2.66Å; D420-R431 IonicContact OD2-NE 2.66Å; D420-R431 PolarHBondContact OD2-NE 3.16Å; D420-R431 IonicContact OD2-NH2 3.67Å; D420-R431 PolarHBondContact OD2-NH2 2.83Å
421D77.9Confident83Confident97 Ų9761 Ų6152%0.51933%0.33SS..THydrogen-bonded Turntrans-87.5-11.8-173.5-58.9-58.3000113.6S419 G430S419-D421 PolarHBondContact O-N 2.97Å; D421-G430 CarbonylContact O-C 3.52Å; D421-G430 WeakPolarHBondContact O-CA 3.36Å; D421-G430 PolarHBondContact O-N 3.43Å
422D88.1Confident83.6Confident87 Ų8756.7 Ų56.747%0.46531%0.306SS..SBendtrans-104.212.7-165.9-129.340.9000114.6S419 K429S419-D422 PolarHBondContact O-N 3.18Å; D422-K429 WeakPolarHBondContact O-CE 3.41Å; D422-K429 WeakPolarHBondContact OD1-CE 3.22Å; D422-K429 IonicContact OD1-NZ 3.66Å; D422-K429 PolarHBondContact OD1-NZ 3.08Å; D422-K429 WeakPolarHBondContact OD2-CE 3.31Å; D422-K429 IonicContact OD2-NZ 2.65Å; D422-K429 PolarHBondContact OD2-NZ 2.66Å
423C92.9Very high84Confident10 Ų1058 Ų587%0.06832%0.316CS..SBendtrans-107172.3-179.458.20000113.4C263 A415 D420 K429 G430C263-C423 WeakPolarHBondContact CA-SG 3.42Å; C263-C423 HydrophobicContact CB-CB 3.9Å; C263-C423 WeakPolarHBondContact CB-SG 3.41Å; C263-C423 VanDerWaalsContact SG-C 3.56Å; C263-C423 WeakPolarHBondContact SG-CB 3.02Å; C263-C423 CovalentContact SG-SG 2.03Å; C263-C423 PolarHBondContact SG-SG 3.22Å; A415-C423 HydrophobicContact CB-CB 3.68Å; D420-C423 PolarHBondContact O-SG 2.04Å; D420-C423 VanDerWaalsContact O-SG 3.36Å; C423-K429 CarbonylContact O-C 3.56Å; C423-K429 VanDerWaalsContact O-CA 3.3Å; C423-K429 WeakPolarHBondContact O-CA 3.43Å; C423-G430 PolarHBondContact O-N 2.89Å; C423-G430 VanDerWaalsContact O-O 3.11Å
424W94.4Very high84.6Confident0 Ų059.3 Ų59.30%033%0.325CS..BIsolated β-bridgetrans-87.3124175.2170.5-111.3000111.4Y59 K247 C251 P252 R255 V260 K261 P262 C263 Y266 G426 H427 T428Y59-W424 VanDerWaalsContact OH-CH2 3.3Å; Y59-W424 WeakPolarHBondContact OH-CH2 3.33Å; Y59-W424 WeakPolarHBondContact OH-CZ2 3.29Å; K247-W424 PolarHBondContact O-NE1 2.85Å; C251-W424 HydrophobicContact CB-CZ2 3.97Å; P252-W424 HydrophobicContact CB-CD2 4.47Å; P252-W424 HydrophobicContact CG-CB 4.4Å; P252-W424 HydrophobicContact CG-CD2 3.71Å; P252-W424 HydrophobicContact CG-CE3 4.31Å; P252-W424 HydrophobicContact CG-CG 3.73Å; P252-W424 HydrophobicContact CG-CZ2 4.28Å; R255-W424 HydrophobicContact CB-CH2 4.36Å; R255-W424 HydrophobicContact CB-CZ3 4.45Å; V260-W424 HydrophobicContact CG1-CB 3.81Å; K261-W424 PolarHBondContact O-N 2.97Å; P262-W424 WeakPolarHBondContact CA-O 3.17Å; C263-W424 PolarHBondContact N-O 3.07Å; C263-W424 VanDerWaalsContact SG-C 3.52Å; C263-W424 PolarHBondContact SG-O 3.01Å; Y266-W424 WeakPolarHBondContact CD1-O 3.38Å; Y266-W424 AromaticContact CE1-CD1 3.69Å; Y266-W424 AromaticContact CE1-NE1 3.83Å; W424-G426 VanDerWaalsContact CZ2-C 3.41Å; W424-G426 WeakPolarHBondContact CZ2-O 3.34Å; W424-H427 WeakPolarHBondContact CH2-O 3.41Å; W424-H427 VanDerWaalsContact CZ3-C 3.43Å; W424-H427 WeakPolarHBondContact CZ3-O 3.47Å; W424-T428 VanDerWaalsContact CE3-O 3.25Å
425N93.8Very high84.9Confident24 Ų2467.2 Ų67.213%0.12836%0.362CS..  trans-102.715.8-177.968.114.6000114.2H427 T428 G430 R431 Y432N425-H427 VanDerWaalsContact C-N 3.3Å; N425-H427 PolarHBondContact O-N 2.96Å; N425-H427 PolarHBondContact OD1-N 3.31Å; N425-T428 PolarHBondContact N-O 3.34Å; N425-T428 PolarHBondContact OD1-N 3.17Å; N425-T428 PolarHBondContact OD1-O 3.5Å; N425-T428 VanDerWaalsContact OD1-O 3.05Å; N425-G430 WeakPolarHBondContact CB-O 3.2Å; N425-R431 PolarHBondContact ND2-O 3.43Å; N425-Y432 HydrophobicContact CB-CD2 4.06Å
426G92.3Very high85.5Confident0 Ų068.3 Ų68.30%037%0.365CS..SBendtrans87.9-11.9-175.400000114.6Y59 K247 Y266 W424Y59-G426 PolarHBondContact OH-O 2.03Å; K247-G426 WeakPolarHBondContact CE-O 3.25Å; Y266-G426 VanDerWaalsContact CE1-CA 3.43Å; Y266-G426 VanDerWaalsContact CE1-N 3.27Å; W424-G426 VanDerWaalsContact CZ2-C 3.41Å; W424-G426 WeakPolarHBondContact CZ2-O 3.34Å
427H90.8Very high86.6Confident106 Ų10669.9 Ų69.949%0.49137%0.369SS..SBendtrans-129.6-44.9178.8-66.2-92.8000112.6K247 R255 W424 N425K247-H427 PolarHBondContact NZ-NE2 2.92Å; R255-H427 VanDerWaalsContact CD-O 3.32Å; R255-H427 WeakPolarHBondContact CD-O 3.4Å; R255-H427 PolarHBondContact NH1-O 3.32Å; W424-H427 WeakPolarHBondContact CH2-O 3.41Å; W424-H427 VanDerWaalsContact CZ3-C 3.43Å; W424-H427 WeakPolarHBondContact CZ3-O 3.47Å; N425-H427 VanDerWaalsContact C-N 3.3Å; N425-H427 PolarHBondContact O-N 2.96Å; N425-H427 PolarHBondContact OD1-N 3.31Å
428T91.3Very high88.1Confident52 Ų5270.5 Ų70.532%0.31937%0.366SS..SBendtrans-138.3171.617964.20000111.1W424 N425W424-T428 VanDerWaalsContact CE3-O 3.25Å; N425-T428 PolarHBondContact N-O 3.34Å; N425-T428 PolarHBondContact OD1-N 3.17Å; N425-T428 PolarHBondContact OD1-O 3.5Å; N425-T428 VanDerWaalsContact OD1-O 3.05Å
429K92.3Very high90Very high89 Ų8969.5 Ų69.539%0.38735%0.349SS..BIsolated β-bridgetrans-64.6132.6149-163.5-174-167.8-154.20107.3L257 V260 D422 C423L257-K429 HydrophobicContact CD1-CB 4.46Å; V260-K429 HydrophobicContact CG1-CB 4.41Å; V260-K429 HydrophobicContact CG1-CG 3.98Å; V260-K429 HydrophobicContact CG2-CD 4.33Å; V260-K429 HydrophobicContact CG2-CG 4.46Å; D422-K429 WeakPolarHBondContact O-CE 3.41Å; D422-K429 WeakPolarHBondContact OD1-CE 3.22Å; D422-K429 IonicContact OD1-NZ 3.66Å; D422-K429 PolarHBondContact OD1-NZ 3.08Å; D422-K429 WeakPolarHBondContact OD2-CE 3.31Å; D422-K429 IonicContact OD2-NZ 2.65Å; D422-K429 PolarHBondContact OD2-NZ 2.66Å; C423-K429 CarbonylContact O-C 3.56Å; C423-K429 VanDerWaalsContact O-CA 3.3Å; C423-K429 WeakPolarHBondContact O-CA 3.43Å
430G92.3Very high91.5Very high15 Ų1566.3 Ų66.316%0.15533%0.328CS..SBendtrans148.2166.3-171.400000112.2D421 C423 N425D421-G430 CarbonylContact O-C 3.52Å; D421-G430 WeakPolarHBondContact O-CA 3.36Å; D421-G430 PolarHBondContact O-N 3.43Å; C423-G430 PolarHBondContact O-N 2.89Å; C423-G430 VanDerWaalsContact O-O 3.11Å; N425-G430 WeakPolarHBondContact CB-O 3.2Å
431R92.6Very high92.7Very high110 Ų11062 Ų6242%0.41531%0.305SS..  trans-60.2145.7179.8-161.8166.2-168-152.23.4113.3D420 N425 F433D420-R431 HydrophobicContact CB-CG 4.16Å; D420-R431 WeakPolarHBondContact O-CA 3.03Å; D420-R431 IonicContact OD2-CZ 2.66Å; D420-R431 IonicContact OD2-NE 2.66Å; D420-R431 PolarHBondContact OD2-NE 3.16Å; D420-R431 IonicContact OD2-NH2 3.67Å; D420-R431 PolarHBondContact OD2-NH2 2.83Å; N425-R431 PolarHBondContact ND2-O 3.43Å; R431-F433 HydrophobicContact CB-CE2 4.19Å; R431-F433 HydrophobicContact CB-CZ 4.17Å
432Y93.9Very high93.5Very high18 Ų1862.1 Ų62.17%0.07131%0.309CS..  trans-93.7117.1168-172.6-101.2000110.1N265 Y266 N269 N425 P434 E449N265-Y432 HydrophobicContact CB-CD1 3.72Å; N265-Y432 HydrophobicContact CB-CE1 4.16Å; Y266-Y432 HydrophobicContact CD2-CD2 4.19Å; Y266-Y432 AromaticContact CD2-CE2 3.59Å; Y266-Y432 HydrophobicContact CD2-CE2 3.59Å; Y266-Y432 AromaticContact CG-CD2 3.97Å; Y266-Y432 HydrophobicContact CG-CD2 3.97Å; Y266-Y432 AromaticContact CG-CE2 3.86Å; Y266-Y432 HydrophobicContact CG-CE2 3.86Å; N269-Y432 PolarHBondContact ND2-OH 3.09Å; N425-Y432 HydrophobicContact CB-CD2 4.06Å; Y432-P434 HydrophobicContact CE1-CB 3.79Å; Y432-P434 HydrophobicContact CE1-CG 4.02Å; Y432-P434 VanDerWaalsContact CE1-O 3.25Å; Y432-P434 WeakPolarHBondContact CE1-O 3.32Å; Y432-P434 HydrophobicContact CE2-CG 3.98Å; Y432-E449 WeakPolarHBondContact CE2-OE1 3.48Å; Y432-E449 WeakPolarHBondContact OH-CG 3.26Å; Y432-E449 PolarHBondContact OH-OE1 2.79Å
433F93.7Very high93.8Very high164 Ų16461.2 Ų61.272%0.71930%0.304SS*.  trans-90.9-32.4-175.5-66.9-83.3000116.3R431R431-F433 HydrophobicContact CB-CE2 4.19Å; R431-F433 HydrophobicContact CB-CZ 4.17Å
434P95.3Very high94Very high50 Ų5060.9 Ų60.933%0.32530%0.302SS..SBendtrans-63.1144.7-178.9-23.432.8000113.7Y432 P448Y432-P434 HydrophobicContact CE1-CB 3.79Å; Y432-P434 HydrophobicContact CE1-CG 4.02Å; Y432-P434 VanDerWaalsContact CE1-O 3.25Å; Y432-P434 WeakPolarHBondContact CE1-O 3.32Å; Y432-P434 HydrophobicContact CE2-CG 3.98Å; P434-P448 HydrophobicContact CB-CG 3.9Å; P434-P448 HydrophobicContact CG-CG 4.34Å
435E94.7Very high93.9Very high166 Ų16667.1 Ų67.178%0.77633%0.332SS*.PPolyproline II helixtrans-70.5151.8174.6-64.6-170.7168.100111.9N269 Q437N269-E435 PolarHBondContact ND2-O 2.82Å; N269-E435 PolarHBondContact OD1-O 2.72Å; E435-Q437 PolarHBondContact O-N 3.34Å; E435-Q437 PolarHBondContact O-NE2 3.31Å
436V96.2Very high94Very high50 Ų5072.2 Ų72.230%0.30336%0.36SS..PPolyproline II helixtrans-74.1123.8177.3-179.10000109.6N265 L268 N269 K272N265-V436 HydrophobicContact CB-CG2 3.64Å; L268-V436 HydrophobicContact CB-CG1 3.81Å; L268-V436 HydrophobicContact CB-CG2 4.29Å; L268-V436 HydrophobicContact CD1-CG1 4.3Å; L268-V436 HydrophobicContact CD1-CG2 4.22Å; N269-V436 VanDerWaalsContact OD1-CA 3.3Å; N269-V436 WeakPolarHBondContact OD1-CA 3.19Å; K272-V436 HydrophobicContact CD-CG1 4.06Å
437Q96.4Very high94.2Very high44 Ų4472.9 Ų72.921%0.20636%0.363CS..PPolyproline II helixtrans-65.7156.6178.1-59.9-50.9-69.500111.7N269 K272 E435 N447N269-Q437 PolarHBondContact OD1-N 3.15Å; K272-Q437 WeakPolarHBondContact CD-O 3.44Å; E435-Q437 PolarHBondContact O-N 3.34Å; E435-Q437 PolarHBondContact O-NE2 3.31Å; Q437-N447 HydrophobicContact CG-CB 4.11Å
438K95.7Very high94.4Very high150 Ų15070.9 Ų70.965%0.65236%0.36SS*.PPolyproline II helixtrans-78161.7173.4-65.6175.6-175.61730110.8N443 Q444K438-N443 HydrophobicContact CB-CB 3.89Å; K438-N443 VanDerWaalsContact O-CB 3.27Å; K438-N443 WeakPolarHBondContact O-CB 3.29Å; K438-Q444 PolarHBondContact O-NE2 3.28Å
439D94.4Very high94.7Very high59 Ų5969.6 Ų69.632%0.31635%0.35SS..SBendtrans-75.3158.5-176.8-53.2-73.1000113.4K272 A279 N443K272-D439 IonicContact NZ-OD1 2.78Å; K272-D439 PolarHBondContact NZ-OD1 2.99Å; K272-D439 IonicContact NZ-OD2 3.85Å; A279-D439 HydrophobicContact CB-CB 4.21Å; D439-N443 PolarHBondContact O-ND2 2.79Å
440G93.8Very high94.9Very high6 Ų665.5 Ų65.56%0.06233%0.332CS..SBendtrans87.9163.4-179.900000113.9A276 A279 D280 N443 Q444A276-G440 CarbonylContact O-C 3.58Å; A279-G440 VanDerWaalsContact CB-N 3.29Å; D280-G440 WeakPolarHBondContact OD1-CA 3.29Å; G440-N443 PolarHBondContact O-N 3.14Å; G440-Q444 PolarHBondContact O-NE2 3.02Å
441L94.1Very high95Very high5 Ų567.9 Ų67.93%0.02636%0.357CS..G310 helixtrans-63.9-48.2-168.1-178.165.8000112.7A276 D280 N443 Q444 V452 I454 P457A276-L441 HydrophobicContact CB-CD1 4.06Å; A276-L441 PolarHBondContact O-N 3.24Å; A276-L441 VanDerWaalsContact O-N 3.16Å; D280-L441 PolarHBondContact OD1-N 3.31Å; D280-L441 WeakPolarHBondContact OD2-CB 3.3Å; L441-N443 PolarHBondContact O-N 2.77Å; L441-Q444 PolarHBondContact O-N 3.39Å; L441-V452 HydrophobicContact CD1-CG1 3.49Å; L441-V452 VanDerWaalsContact CD1-CG1 3.49Å; L441-I454 VanDerWaalsContact O-CG2 3.29Å; L441-I454 WeakPolarHBondContact O-CG2 3.45Å; L441-P457 HydrophobicContact CD2-CB 3.65Å
442T94.1Very high95Very high100 Ų10064.1 Ų64.161%0.61335%0.346SS*.G310 helixtrans-62.8-26.8-175.851.70000113.4Q444T442-Q444 VanDerWaalsContact C-N 3.32Å
443N95.5Very high94.9Very high68 Ų6866.9 Ų66.936%0.36436%0.362SS..G310 helixtrans-78.9-11.1178.4-71.1-56000113.4K438 D439 G440 L441 M445K438-N443 HydrophobicContact CB-CB 3.89Å; K438-N443 VanDerWaalsContact O-CB 3.27Å; K438-N443 WeakPolarHBondContact O-CB 3.29Å; D439-N443 PolarHBondContact O-ND2 2.79Å; G440-N443 PolarHBondContact O-N 3.14Å; L441-N443 PolarHBondContact O-N 2.77Å; N443-M445 VanDerWaalsContact C-N 3.32Å; N443-M445 PolarHBondContact O-N 2.83Å
444Q95.8Very high94.9Very high2 Ų261.5 Ų61.51%0.00934%0.341CS..G310 helixtrans-84.2-0.6179-52.7-39.6-56.800114.4A276 K438 G440 L441 T442 N446 N447 V452A276-Q444 HydrophobicContact CB-CG 3.54Å; K438-Q444 PolarHBondContact O-NE2 3.28Å; G440-Q444 PolarHBondContact O-NE2 3.02Å; L441-Q444 PolarHBondContact O-N 3.39Å; T442-Q444 VanDerWaalsContact C-N 3.32Å; Q444-N446 PolarHBondContact O-N 2.96Å; Q444-N446 VanDerWaalsContact O-N 3.1Å; Q444-N447 HydrophobicContact CB-CB 4.28Å; Q444-N447 VanDerWaalsContact O-CB 3.29Å; Q444-N447 WeakPolarHBondContact O-CB 3.37Å; Q444-N447 PolarHBondContact O-N 2.64Å; Q444-N447 PolarHBondContact OE1-ND2 2.97Å; Q444-V452 HydrophobicContact CB-CB 3.79Å; Q444-V452 HydrophobicContact CB-CG1 4.14Å; Q444-V452 HydrophobicContact CB-CG2 3.83Å; Q444-V452 HydrophobicContact CG-CG2 4.31Å
445M93.5Very high94.7Very high131 Ų13164.3 Ų64.365%0.64536%0.357SS*.G310 helixtrans-55.5-31.9-177.6-168.2177.2-176.600113.4N443 I454N443-M445 VanDerWaalsContact C-N 3.32Å; N443-M445 PolarHBondContact O-N 2.83Å; M445-I454 HydrophobicContact CB-CD1 4.13Å; M445-I454 HydrophobicContact CB-CG2 4.2Å; M445-I454 HydrophobicContact CE-CD1 4.47Å; M445-I454 HydrophobicContact CG-CD1 3.97Å; M445-I454 HydrophobicContact SD-CD1 3.67Å
446N94.7Very high94.3Very high131 Ų13165.6 Ų65.670%0.70136%0.355SS*.G310 helixtrans-111.519.9179.8-60.7-31.7000112.5Q444 P448Q444-N446 PolarHBondContact O-N 2.96Å; Q444-N446 VanDerWaalsContact O-N 3.1Å; N446-P448 WeakPolarHBondContact O-CD 3.35Å
447N96.8Very high94Very high14 Ų1465.5 Ų65.58%0.07536%0.355CS..  trans-66.5121.7179.3-174.2-46.4000110.2N269 Q437 Q444 E449 V450N269-N447 PolarHBondContact O-ND2 3.35Å; Q437-N447 HydrophobicContact CG-CB 4.11Å; Q444-N447 HydrophobicContact CB-CB 4.28Å; Q444-N447 VanDerWaalsContact O-CB 3.29Å; Q444-N447 WeakPolarHBondContact O-CB 3.37Å; Q444-N447 PolarHBondContact O-N 2.64Å; Q444-N447 PolarHBondContact OE1-ND2 2.97Å; N447-E449 VanDerWaalsContact C-N 3.3Å; N447-E449 PolarHBondContact O-N 3.22Å; N447-E449 PolarHBondContact OD1-N 2.66Å; N447-V450 PolarHBondContact OD1-N 2.95Å; N447-V450 VanDerWaalsContact OD1-N 3.15Å
448P95.8Very high93.7Very high64 Ų6465.8 Ų65.842%0.41636%0.358SS..SBendtrans-75.1-15.2-173.228.5-33.8000114.2P434 N446P434-P448 HydrophobicContact CB-CG 3.9Å; P434-P448 HydrophobicContact CG-CG 4.34Å; N446-P448 WeakPolarHBondContact O-CD 3.35Å
449E96.6Very high93.5Very high26 Ų2663.9 Ų63.912%0.12136%0.359CS..SBendtrans-110.7-26.3-171.8-48.3-54.5152.900114K247 Y266 N269 V270 Y432 N447K247-E449 IonicContact NZ-OE2 2.84Å; K247-E449 PolarHBondContact NZ-OE2 2.73Å; Y266-E449 HydrophobicContact CD2-CG 3.71Å; Y266-E449 HydrophobicContact CE2-CB 4.15Å; Y266-E449 VanDerWaalsContact CE2-CD 3.43Å; Y266-E449 HydrophobicContact CE2-CG 3.58Å; Y266-E449 VanDerWaalsContact CE2-OE2 3.25Å; Y266-E449 WeakPolarHBondContact CE2-OE2 3.31Å; N269-E449 HydrophobicContact CB-CG 4.06Å; V270-E449 HydrophobicContact CG2-CB 3.72Å; V270-E449 HydrophobicContact CG2-CG 4.14Å; Y432-E449 WeakPolarHBondContact CE2-OE1 3.48Å; Y432-E449 WeakPolarHBondContact OH-CG 3.26Å; Y432-E449 PolarHBondContact OH-OE1 2.79Å; N447-E449 VanDerWaalsContact C-N 3.3Å; N447-E449 PolarHBondContact O-N 3.22Å; N447-E449 PolarHBondContact OD1-N 2.66Å
450V96.9Very high93.5Very high2 Ų264.6 Ų64.61%0.01236%0.359CS..  trans-133.5111.5-177.9-174.40000109.4A240 V270 N447 V452A240-V450 HydrophobicContact CB-CG1 4.17Å; V270-V450 HydrophobicContact CG1-CG2 4.43Å; N447-V450 PolarHBondContact OD1-N 2.95Å; N447-V450 VanDerWaalsContact OD1-N 3.15Å; V450-V452 HydrophobicContact CB-CG2 4.44Å; V450-V452 HydrophobicContact CG1-CG2 3.88Å; V450-V452 PolarHBondContact O-N 3.1Å
451G94.1Very high93.5Very high65 Ų6564.3 Ų64.367%0.6736%0.356SS*.  trans-71.3108172.400000111.2A240A240-G451 VanDerWaalsContact CB-O 3.29Å; A240-G451 WeakPolarHBondContact CB-O 3.29Å
452V94.1Very high93.5Very high32 Ų3269.4 Ų69.419%0.19438%0.375CS..  trans-109125.8-177.8-1800000110.7G273 A276 L441 Q444 V450 I454G273-V452 WeakPolarHBondContact O-CG2 3.41Å; A276-V452 HydrophobicContact CB-CG1 4.31Å; L441-V452 HydrophobicContact CD1-CG1 3.49Å; L441-V452 VanDerWaalsContact CD1-CG1 3.49Å; Q444-V452 HydrophobicContact CB-CB 3.79Å; Q444-V452 HydrophobicContact CB-CG1 4.14Å; Q444-V452 HydrophobicContact CB-CG2 3.83Å; Q444-V452 HydrophobicContact CG-CG2 4.31Å; V450-V452 HydrophobicContact CB-CG2 4.44Å; V450-V452 HydrophobicContact CG1-CG2 3.88Å; V450-V452 PolarHBondContact O-N 3.1Å; V452-I454 PolarHBondContact O-N 3.49Å; V452-I454 VanDerWaalsContact O-N 3.15Å
453D91.8Very high93.6Very high75 Ų7570.4 Ų70.440%0.40137%0.373SS..  trans-79.594173.6-177-3.1000110.7T455 R456D453-T455 PolarHBondContact O-N 3.48Å; D453-T455 VanDerWaalsContact O-N 3.14Å; D453-T455 WeakPolarHBondContact OD1-CA 3.3Å; D453-T455 WeakPolarHBondContact OD1-CB 3.28Å; D453-T455 PolarHBondContact OD1-N 2.97Å; D453-T455 PolarHBondContact OD1-OG1 3.37Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 WeakPolarHBondContact OD2-CD 3.3Å; D453-R456 VanDerWaalsContact OD2-CG 3.3Å; D453-R456 WeakPolarHBondContact OD2-CG 3.13Å; D453-R456 IonicContact OD2-NE 3.32Å; D453-R456 PolarHBondContact OD2-NE 3.15Å
454I91.9Very high93.6Very high52 Ų5267.5 Ų67.527%0.26736%0.358SS..THydrogen-bonded Turntrans-64.6-13.1178.367.2163.3000113.9L441 M445 V452L441-I454 VanDerWaalsContact O-CG2 3.29Å; L441-I454 WeakPolarHBondContact O-CG2 3.45Å; M445-I454 HydrophobicContact CB-CD1 4.13Å; M445-I454 HydrophobicContact CB-CG2 4.2Å; M445-I454 HydrophobicContact CE-CD1 4.47Å; M445-I454 HydrophobicContact CG-CD1 3.97Å; M445-I454 HydrophobicContact SD-CD1 3.67Å; V452-I454 PolarHBondContact O-N 3.49Å; V452-I454 VanDerWaalsContact O-N 3.15Å
455T91.1Very high93.7Very high109 Ų10967.8 Ų67.867%0.66936%0.359SS*.THydrogen-bonded Turntrans-84.7-12.8179.975.50000112.7D453 P457D453-T455 PolarHBondContact O-N 3.48Å; D453-T455 VanDerWaalsContact O-N 3.14Å; D453-T455 WeakPolarHBondContact OD1-CA 3.3Å; D453-T455 WeakPolarHBondContact OD1-CB 3.28Å; D453-T455 PolarHBondContact OD1-N 2.97Å; D453-T455 PolarHBondContact OD1-OG1 3.37Å; T455-P457 VanDerWaalsContact C-CD 3.46Å; T455-P457 WeakPolarHBondContact O-CD 3.34Å
456R87.9Confident93.8Very high193 Ų19366.2 Ų66.273%0.72835%0.351SS*.SBendtrans-122.170.7-177.5-62.4-175.7-171-167.9-1.5111.1D453D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 WeakPolarHBondContact OD2-CD 3.3Å; D453-R456 VanDerWaalsContact OD2-CG 3.3Å; D453-R456 WeakPolarHBondContact OD2-CG 3.13Å; D453-R456 IonicContact OD2-NE 3.32Å; D453-R456 PolarHBondContact OD2-NE 3.15Å
457P88.5Confident93.8Very high48 Ų4861.8 Ų61.831%0.31233%0.332SS..  trans-60.1143.617327.5-35.1000110.8L441 T455 T459 R462L441-P457 HydrophobicContact CD2-CB 3.65Å; T455-P457 VanDerWaalsContact C-CD 3.46Å; T455-P457 WeakPolarHBondContact O-CD 3.34Å; P457-T459 PolarHBondContact O-N 3.1Å; P457-R462 HydrophobicContact CB-CG 4.29Å
458D90.7Very high93.8Very high50 Ų5061.1 Ų61.127%0.26733%0.329SS..  trans-63.6123.7178.2-178.6-68.3000110.8N277 F460 I461 R462N277-D458 HydrophobicContact CB-CB 4.13Å; N277-D458 PolarHBondContact OD1-N 3.02Å; D458-F460 WeakPolarHBondContact OD1-CA 3.28Å; D458-F460 WeakPolarHBondContact OD1-CB 3.2Å; D458-F460 PolarHBondContact OD1-N 3.01Å; D458-I461 HydrophobicContact CB-CB 3.95Å; D458-I461 HydrophobicContact CB-CG1 3.85Å; D458-I461 WeakPolarHBondContact OD1-CG1 3.43Å; D458-I461 PolarHBondContact OD1-N 3.2Å; D458-R462 WeakPolarHBondContact O-CB 3.47Å; D458-R462 VanDerWaalsContact O-CG 3.24Å; D458-R462 WeakPolarHBondContact O-CG 3.48Å; D458-R462 PolarHBondContact O-N 3.2Å
459T92.5Very high93.8Very high110 Ų11063 Ų6368%0.67533%0.328SS*.Hα-helixtrans-71.9-31.1-173.751.40000112.7P457 R462 Q463P457-T459 PolarHBondContact O-N 3.1Å; T459-R462 PolarHBondContact O-N 3.15Å; T459-Q463 WeakPolarHBondContact O-CG 3.45Å; T459-Q463 PolarHBondContact O-N 3.32Å
460F94Very high93.6Very high73 Ų7365.4 Ų65.432%0.3234%0.344SS..Hα-helixtrans-73.5-40.1178.1171.3-98.5000111.3R231 V235 D458 R462 Q463 Q464R231-F460 HydrophobicContact CB-CE1 4.07Å; R231-F460 HydrophobicContact CB-CZ 3.65Å; R231-F460 HydrophobicContact CG-CZ 4Å; V235-F460 HydrophobicContact CG2-CD1 3.75Å; V235-F460 HydrophobicContact CG2-CE1 3.69Å; D458-F460 WeakPolarHBondContact OD1-CA 3.28Å; D458-F460 WeakPolarHBondContact OD1-CB 3.2Å; D458-F460 PolarHBondContact OD1-N 3.01Å; F460-R462 VanDerWaalsContact C-N 3.34Å; F460-Q463 WeakPolarHBondContact O-CB 3.29Å; F460-Q463 PolarHBondContact O-N 3.48Å; F460-Q464 WeakPolarHBondContact O-CG 3.33Å; F460-Q464 PolarHBondContact O-N 3.07Å; F460-Q464 PolarHBondContact O-NE2 3.01Å
461I93.9Very high93.4Very high0 Ų065.7 Ų65.70%035%0.345CS..Hα-helixtrans-58.3-46.5168-71-74.4000110.4V232 V235 N277 Q278 L281 D458 Q463 Q464 I465V232-I461 HydrophobicContact CG1-CD1 3.83Å; V232-I461 HydrophobicContact CG2-CD1 4.26Å; V235-I461 HydrophobicContact CG2-CD1 4.06Å; V235-I461 HydrophobicContact CG2-CG1 4.42Å; N277-I461 HydrophobicContact CB-CB 4.43Å; N277-I461 HydrophobicContact CB-CG1 4.01Å; N277-I461 HydrophobicContact CB-CG2 4.19Å; N277-I461 WeakPolarHBondContact O-CG2 3.34Å; Q278-I461 HydrophobicContact CG-CD1 4.26Å; L281-I461 HydrophobicContact CD1-CD1 3.79Å; L281-I461 HydrophobicContact CD1-CG2 3.83Å; D458-I461 HydrophobicContact CB-CB 3.95Å; D458-I461 HydrophobicContact CB-CG1 3.85Å; D458-I461 WeakPolarHBondContact OD1-CG1 3.43Å; D458-I461 PolarHBondContact OD1-N 3.2Å; I461-Q463 VanDerWaalsContact C-N 3.32Å; I461-Q463 PolarHBondContact O-N 3.16Å; I461-Q464 PolarHBondContact O-N 2.84Å; I461-I465 HydrophobicContact CG2-CD1 4.11Å; I461-I465 PolarHBondContact O-N 3.03Å
462R94.4Very high93.3Very high112 Ų11262.8 Ų62.842%0.42332%0.315SS..Hα-helixtrans-65.8-32178.4-69.5-76.2167.4147.4-5.8112.6D280 P457 D458 T459 F460 M466D280-R462 IonicContact OD2-CZ 3.85Å; D280-R462 IonicContact OD2-NE 2.78Å; D280-R462 IonicContact OD2-NH2 2.91Å; D280-R462 PolarHBondContact OD2-NH2 2.88Å; P457-R462 HydrophobicContact CB-CG 4.29Å; D458-R462 WeakPolarHBondContact O-CB 3.47Å; D458-R462 VanDerWaalsContact O-CG 3.24Å; D458-R462 WeakPolarHBondContact O-CG 3.48Å; D458-R462 PolarHBondContact O-N 3.2Å; T459-R462 PolarHBondContact O-N 3.15Å; F460-R462 VanDerWaalsContact C-N 3.34Å; R462-M466 WeakPolarHBondContact O-CG 3.46Å; R462-M466 PolarHBondContact O-N 3.32Å; R462-M466 VanDerWaalsContact O-N 3.08Å
463Q95.5Very high93.2Very high121 Ų12165 Ų6557%0.56533%0.325SS*.Hα-helixtrans-63.6-43.1167.4-73.4167.3-9.400112.1T459 F460 I461 I465 M466 A467T459-Q463 WeakPolarHBondContact O-CG 3.45Å; T459-Q463 PolarHBondContact O-N 3.32Å; F460-Q463 WeakPolarHBondContact O-CB 3.29Å; F460-Q463 PolarHBondContact O-N 3.48Å; I461-Q463 VanDerWaalsContact C-N 3.32Å; I461-Q463 PolarHBondContact O-N 3.16Å; Q463-I465 VanDerWaalsContact C-N 3.33Å; Q463-I465 PolarHBondContact O-N 3.3Å; Q463-M466 PolarHBondContact O-N 2.61Å; Q463-M466 VanDerWaalsContact O-N 3.16Å; Q463-A467 PolarHBondContact O-N 3.24Å
464Q96.3Very high93Very high8 Ų863.4 Ų63.44%0.03732%0.315CS..Hα-helixtrans-65.2-38178.3-58-25.3-83.700111.3V228 V232 L281 F460 I461 M466 A467 L468V228-Q464 HydrophobicContact CG1-CB 4.32Å; V228-Q464 HydrophobicContact CG2-CB 4.15Å; V232-Q464 HydrophobicContact CG2-CB 4.1Å; V232-Q464 HydrophobicContact CG2-CG 3.81Å; L281-Q464 HydrophobicContact CD2-CB 4.23Å; F460-Q464 WeakPolarHBondContact O-CG 3.33Å; F460-Q464 PolarHBondContact O-N 3.07Å; F460-Q464 PolarHBondContact O-NE2 3.01Å; I461-Q464 PolarHBondContact O-N 2.84Å; Q464-M466 PolarHBondContact O-N 2.9Å; Q464-A467 PolarHBondContact O-N 3.29Å; Q464-L468 WeakPolarHBondContact O-CG 3.5Å; Q464-L468 PolarHBondContact O-N 3.47Å
465I95.9Very high92.8Very high8 Ų861 Ų614%0.04130%0.303CS..Hα-helixtrans-57.8-45.5171.1-74.3168.7000111.4D280 L281 E284 I461 Q463 L468 R469D280-I465 HydrophobicContact CB-CD1 4.09Å; L281-I465 HydrophobicContact CG-CD1 4.42Å; L281-I465 HydrophobicContact CG-CG1 3.89Å; E284-I465 HydrophobicContact CG-CG2 4.09Å; I461-I465 HydrophobicContact CG2-CD1 4.11Å; I461-I465 PolarHBondContact O-N 3.03Å; Q463-I465 VanDerWaalsContact C-N 3.33Å; Q463-I465 PolarHBondContact O-N 3.3Å; I465-L468 PolarHBondContact O-N 3.25Å; I465-R469 WeakPolarHBondContact O-CG 3.37Å; I465-R469 PolarHBondContact O-N 2.87Å
466M96Very high92.4Very high98 Ų9862.5 Ų62.548%0.48330%0.296SS..Hα-helixtrans-67.9-35.4177.7-69.7-58.3-64.500112.5R462 Q463 Q464 R469 V470R462-M466 WeakPolarHBondContact O-CG 3.46Å; R462-M466 PolarHBondContact O-N 3.32Å; R462-M466 VanDerWaalsContact O-N 3.08Å; Q463-M466 PolarHBondContact O-N 2.61Å; Q463-M466 VanDerWaalsContact O-N 3.16Å; Q464-M466 PolarHBondContact O-N 2.9Å; M466-R469 PolarHBondContact O-N 2.86Å; M466-V470 WeakPolarHBondContact O-CG2 3.49Å; M466-V470 PolarHBondContact O-N 3.46Å
467A96.1Very high92.2Very high37 Ų3755.9 Ų55.931%0.30628%0.275SS..Hα-helixtrans-61.6-44.9172.900000111.9V224 Q463 Q464 R469 V470 M471V224-A467 HydrophobicContact CG1-CB 4.23Å; Q463-A467 PolarHBondContact O-N 3.24Å; Q464-A467 PolarHBondContact O-N 3.29Å; A467-R469 PolarHBondContact O-N 3.14Å; A467-V470 PolarHBondContact O-N 3.16Å; A467-M471 WeakPolarHBondContact O-CB 3.33Å; A467-M471 PolarHBondContact O-N 3.03Å
468L96Very high91.8Very high0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-59.2-44.5173.6-67.9173.8000111.8V224 V228 L281 E284 W285 Y288 Q464 I465 M471 T472V224-L468 HydrophobicContact CG1-CD2 4.46Å; V228-L468 HydrophobicContact CB-CD2 4.46Å; V228-L468 HydrophobicContact CG1-CD1 4.29Å; V228-L468 HydrophobicContact CG1-CD2 4.37Å; V228-L468 HydrophobicContact CG1-CG 4.43Å; V228-L468 HydrophobicContact CG2-CD2 4.12Å; V228-L468 HydrophobicContact CG2-CG 4.23Å; L281-L468 HydrophobicContact CD2-CD1 4.01Å; E284-L468 HydrophobicContact CB-CD1 4.47Å; W285-L468 HydrophobicContact CB-CD1 4.26Å; W285-L468 HydrophobicContact CE3-CD1 4.05Å; W285-L468 HydrophobicContact CE3-CD2 3.86Å; W285-L468 HydrophobicContact CZ3-CD2 4.13Å; Y288-L468 HydrophobicContact CD1-CD2 3.78Å; Y288-L468 HydrophobicContact CD2-CD2 4.02Å; Y288-L468 HydrophobicContact CE1-CD2 4.26Å; Y288-L468 HydrophobicContact CE2-CD2 4.45Å; Y288-L468 HydrophobicContact CG-CD2 3.68Å; Q464-L468 WeakPolarHBondContact O-CG 3.5Å; Q464-L468 PolarHBondContact O-N 3.47Å; I465-L468 PolarHBondContact O-N 3.25Å; L468-M471 PolarHBondContact O-N 2.92Å; L468-T472 WeakPolarHBondContact O-CB 3.45Å; L468-T472 PolarHBondContact O-N 2.95Å; L468-T472 PolarHBondContact O-OG1 2.85Å
469R95.4Very high90.9Very high104 Ų10456.8 Ų56.839%0.39227%0.271SS..Hα-helixtrans-61.8-48177.4-77.7172.4168.5177.6-0.3113.2E284 I465 M466 A467 T472 N473E284-R469 IonicContact OE1-CZ 2.83Å; E284-R469 IonicContact OE1-NE 3.99Å; E284-R469 PolarHBondContact OE1-NE 3.43Å; E284-R469 IonicContact OE1-NH2 3.18Å; E284-R469 PolarHBondContact OE1-NH2 2.95Å; E284-R469 WeakPolarHBondContact OE2-CG 3.45Å; E284-R469 IonicContact OE2-NE 2.85Å; E284-R469 PolarHBondContact OE2-NE 2.98Å; I465-R469 WeakPolarHBondContact O-CG 3.37Å; I465-R469 PolarHBondContact O-N 2.87Å; M466-R469 PolarHBondContact O-N 2.86Å; A467-R469 PolarHBondContact O-N 3.14Å; R469-T472 PolarHBondContact O-N 3.19Å; R469-N473 PolarHBondContact O-N 3.41Å; R469-N473 PolarHBondContact O-ND2 3.5Å; R469-N473 VanDerWaalsContact O-ND2 3.12Å
470V93.6Very high89.9Confident76 Ų7655.8 Ų55.846%0.46126%0.262SS..Hα-helixtrans-62.6-45.4178.5170.60000110.2M466 A467 N473 K474M466-V470 WeakPolarHBondContact O-CG2 3.49Å; M466-V470 PolarHBondContact O-N 3.46Å; A467-V470 PolarHBondContact O-N 3.16Å; V470-N473 PolarHBondContact O-N 3.32Å; V470-K474 PolarHBondContact O-N 2.89Å
471M92.6Very high88.5Confident8 Ų854 Ų544%0.03926%0.264CS..Hα-helixtrans-65.4-40.6178.9-16465.5-121.100112.3T217 Q220 V224 Y288 A467 L468 N473 K474 L475T217-M471 HydrophobicContact CG2-CE 3.58Å; T217-M471 WeakPolarHBondContact O-CE 3.2Å; Q220-M471 HydrophobicContact CB-CE 4.13Å; Q220-M471 HydrophobicContact CB-SD 4.21Å; V224-M471 HydrophobicContact CB-CB 4.26Å; V224-M471 HydrophobicContact CB-CG 3.99Å; V224-M471 HydrophobicContact CB-SD 4.47Å; V224-M471 HydrophobicContact CG1-CB 4.08Å; V224-M471 HydrophobicContact CG1-CG 4.34Å; V224-M471 HydrophobicContact CG2-CB 4.19Å; V224-M471 HydrophobicContact CG2-CG 3.92Å; V224-M471 HydrophobicContact CG2-SD 3.8Å; Y288-M471 HydrophobicContact CE2-CG 4.38Å; A467-M471 WeakPolarHBondContact O-CB 3.33Å; A467-M471 PolarHBondContact O-N 3.03Å; L468-M471 PolarHBondContact O-N 2.92Å; M471-N473 VanDerWaalsContact C-N 3.34Å; M471-N473 PolarHBondContact O-N 2.87Å; M471-K474 HydrophobicContact CE-CB 4.01Å; M471-K474 PolarHBondContact O-N 3.44Å; M471-L475 HydrophobicContact CE-CD1 4.36Å; M471-L475 HydrophobicContact CE-CD2 4.31Å; M471-L475 HydrophobicContact CE-CG 3.85Å; M471-L475 HydrophobicContact CG-CD1 4.15Å; M471-L475 WeakPolarHBondContact O-CB 3.46Å; M471-L475 WeakPolarHBondContact O-CD1 3.5Å; M471-L475 VanDerWaalsContact O-CG 3.3Å; M471-L475 WeakPolarHBondContact O-CG 3.34Å; M471-L475 PolarHBondContact O-N 3.43Å
472T91.9Very high87.1Confident5 Ų558.1 Ų58.13%0.03129%0.286CS..Hα-helixtrans-59.4-43.1174.6-62.80000111.5Q287 Y288 T291 L468 R469 R476Q287-T472 HydrophobicContact CG-CG2 4.17Å; Y288-T472 WeakPolarHBondContact CA-OG1 3.32Å; Y288-T472 WeakPolarHBondContact CB-OG1 3.44Å; T291-T472 HydrophobicContact CG2-CG2 4.11Å; T291-T472 WeakPolarHBondContact OG1-CG2 3.31Å; L468-T472 WeakPolarHBondContact O-CB 3.45Å; L468-T472 PolarHBondContact O-N 2.95Å; L468-T472 PolarHBondContact O-OG1 2.85Å; R469-T472 PolarHBondContact O-N 3.19Å; T472-R476 WeakPolarHBondContact O-CB 3.48Å; T472-R476 PolarHBondContact O-N 2.71Å
473N90.3Very high85.3Confident78 Ų7859.5 Ų59.542%0.41730%0.301SS..Hα-helixtrans-67.9-41.3175.3-76.9-49.4000112.5R469 V470 M471 R476 N477R469-N473 PolarHBondContact O-N 3.41Å; R469-N473 PolarHBondContact O-ND2 3.5Å; R469-N473 VanDerWaalsContact O-ND2 3.12Å; V470-N473 PolarHBondContact O-N 3.32Å; M471-N473 VanDerWaalsContact C-N 3.34Å; M471-N473 PolarHBondContact O-N 2.87Å; N473-R476 PolarHBondContact O-N 3.43Å; N473-N477 PolarHBondContact O-N 2.82Å
474K88.2Confident83.7Confident42 Ų4254.7 Ų54.718%0.18328%0.279CS..Hα-helixtrans-59.1-47.8173.4-74.8-173.7175.6-173.90111.4T217 V470 M471 R476 N477 A478 I484T217-K474 HydrophobicContact CG2-CB 4.04Å; V470-K474 PolarHBondContact O-N 2.89Å; M471-K474 HydrophobicContact CE-CB 4.01Å; M471-K474 PolarHBondContact O-N 3.44Å; K474-R476 PolarHBondContact O-N 3.38Å; K474-N477 PolarHBondContact O-N 2.82Å; K474-A478 PolarHBondContact O-N 3.24Å; K474-I484 HydrophobicContact CG-CG2 4.3Å; K474-I484 WeakPolarHBondContact O-CD1 3.35Å
475L87Confident81.7Confident1 Ų158.5 Ų58.51%0.00531%0.307CS..Hα-helixtrans-58.7-42.7176-73.2159.9000112.5T217 Y288 T291 V292 A295 M471 A478 Y479T217-L475 HydrophobicContact CG2-CD2 4.06Å; T217-L475 HydrophobicContact CG2-CG 4.23Å; Y288-L475 HydrophobicContact CD2-CD1 4.47Å; Y288-L475 HydrophobicContact CE2-CD1 4.41Å; T291-L475 HydrophobicContact CG2-CB 3.91Å; V292-L475 HydrophobicContact CG2-CD1 3.47Å; V292-L475 VanDerWaalsContact CG2-CD1 3.47Å; A295-L475 HydrophobicContact CB-CB 4.46Å; A295-L475 HydrophobicContact CB-CD2 3.9Å; M471-L475 HydrophobicContact CE-CD1 4.36Å; M471-L475 HydrophobicContact CE-CD2 4.31Å; M471-L475 HydrophobicContact CE-CG 3.85Å; M471-L475 HydrophobicContact CG-CD1 4.15Å; M471-L475 WeakPolarHBondContact O-CB 3.46Å; M471-L475 WeakPolarHBondContact O-CD1 3.5Å; M471-L475 VanDerWaalsContact O-CG 3.3Å; M471-L475 WeakPolarHBondContact O-CG 3.34Å; M471-L475 PolarHBondContact O-N 3.43Å; L475-A478 PolarHBondContact O-N 3.15Å; L475-Y479 WeakPolarHBondContact O-CB 3.33Å; L475-Y479 PolarHBondContact O-N 3.2Å
476R84.6Confident79.8Confident140 Ų14059.1 Ų59.153%0.52831%0.309SS..Hα-helixtrans-69.2-31.7177.8-166172.466.3133.70.3112.8T291 T472 N473 K474 N480T291-R476 HydrophobicContact CG2-CB 4.32Å; T472-R476 WeakPolarHBondContact O-CB 3.48Å; T472-R476 PolarHBondContact O-N 2.71Å; N473-R476 PolarHBondContact O-N 3.43Å; K474-R476 PolarHBondContact O-N 3.38Å; R476-N480 PolarHBondContact O-N 3.06Å; R476-N480 VanDerWaalsContact O-N 3.15Å; R476-N480 PolarHBondContact O-ND2 3.42Å
477N82.9Confident77.2Confident55 Ų5562.1 Ų62.129%0.29432%0.322SS..Hα-helixtrans-71.1-41.3173-71.1-2.6000111.5N473 K474 Y479 N480 G481 N482 I484N473-N477 PolarHBondContact O-N 2.82Å; K474-N477 PolarHBondContact O-N 2.82Å; N477-Y479 VanDerWaalsContact C-N 3.34Å; N477-Y479 PolarHBondContact O-N 3.5Å; N477-N480 PolarHBondContact O-N 3.13Å; N477-G481 PolarHBondContact O-N 3.45Å; N477-N482 PolarHBondContact O-N 2.89Å; N477-N482 VanDerWaalsContact O-N 3.12Å; N477-I484 HydrophobicContact CB-CD1 4.38Å; N477-I484 HydrophobicContact CB-CG1 4.06Å
478A79.4Confident74.6Confident9 Ų964.6 Ų64.67%0.07433%0.33CS..Hα-helixtrans-58.6-45.1172.300000111.6I213 T217 K474 L475 N480 G481 I484I213-A478 HydrophobicContact CG2-CB 4.16Å; T217-A478 HydrophobicContact CG2-CB 3.96Å; K474-A478 PolarHBondContact O-N 3.24Å; L475-A478 PolarHBondContact O-N 3.15Å; A478-N480 PolarHBondContact O-N 2.93Å; A478-G481 PolarHBondContact O-N 3.15Å; A478-G481 VanDerWaalsContact O-N 3.07Å; A478-I484 HydrophobicContact CB-CD1 3.76Å
479Y71.8Confident71.6Confident108 Ų10870.7 Ų70.742%0.42437%0.373SS..Hα-helixtrans-56.6-46.2176.3177.5-84.4000112.3L298 L475 N477 G481L298-Y479 HydrophobicContact CB-CD2 3.81Å; L298-Y479 HydrophobicContact CB-CE2 4.16Å; L298-Y479 HydrophobicContact CD1-CD2 3.76Å; L298-Y479 HydrophobicContact CD1-CE2 3.96Å; L298-Y479 HydrophobicContact CD1-CG 4.21Å; L298-Y479 WeakPolarHBondContact CD1-O 3.31Å; L298-Y479 HydrophobicContact CG-CD2 4.34Å; L475-Y479 WeakPolarHBondContact O-CB 3.33Å; L475-Y479 PolarHBondContact O-N 3.2Å; N477-Y479 VanDerWaalsContact C-N 3.34Å; N477-Y479 PolarHBondContact O-N 3.5Å; Y479-G481 VanDerWaalsContact C-N 3.25Å; Y479-G481 PolarHBondContact O-N 3.11Å
480N71.1Confident68.7Low88 Ų8870.1 Ų70.147%0.47139%0.385SS..Hα-helixtrans-72.1-16.8177.6-69.8-31000113.5R476 N477 A478 N482R476-N480 PolarHBondContact O-N 3.06Å; R476-N480 VanDerWaalsContact O-N 3.15Å; R476-N480 PolarHBondContact O-ND2 3.42Å; N477-N480 PolarHBondContact O-N 3.13Å; A478-N480 PolarHBondContact O-N 2.93Å; N480-N482 VanDerWaalsContact C-N 3.33Å
481G65.7Low65.8Low35 Ų3573.6 Ų73.636%0.36140%0.401SS..THydrogen-bonded Turntrans72.625.7-173.300000113.7N477 A478 Y479N477-G481 PolarHBondContact O-N 3.45Å; A478-G481 PolarHBondContact O-N 3.15Å; A478-G481 VanDerWaalsContact O-N 3.07Å; Y479-G481 VanDerWaalsContact C-N 3.25Å; Y479-G481 PolarHBondContact O-N 3.11Å
482N64.1Low63.3Low87 Ų8782.5 Ų82.547%0.46544%0.443SS..  trans-81.1152.6172-66.6-7.2000109.9N477 N480 I484N477-N482 PolarHBondContact O-N 2.89Å; N477-N482 VanDerWaalsContact O-N 3.12Å; N480-N482 VanDerWaalsContact C-N 3.33Å; N482-I484 PolarHBondContact O-N 2.87Å
483D57.6Low60.5Low141 Ų14185.2 Ų85.275%0.75447%0.472SS*.  trans-58.7130.1175.2-62.4-49.4000111.6
484I60.8Low58Low20 Ų2087.1 Ų87.110%0.10349%0.491CS..  trans-106.5107.8173-52.8-177.1000107.1I213 T217 K474 N477 A478 N482 F486I213-I484 HydrophobicContact CG2-CD1 3.7Å; I213-I484 HydrophobicContact CG2-CG1 4.19Å; T217-I484 HydrophobicContact CG2-CD1 4.25Å; K474-I484 HydrophobicContact CG-CG2 4.3Å; K474-I484 WeakPolarHBondContact O-CD1 3.35Å; N477-I484 HydrophobicContact CB-CD1 4.38Å; N477-I484 HydrophobicContact CB-CG1 4.06Å; A478-I484 HydrophobicContact CB-CD1 3.76Å; N482-I484 PolarHBondContact O-N 2.87Å; I484-F486 HydrophobicContact CB-CD2 4.27Å; I484-F486 HydrophobicContact CB-CE2 3.76Å; I484-F486 HydrophobicContact CB-CZ 4.12Å; I484-F486 HydrophobicContact CD1-CZ 4.32Å; I484-F486 HydrophobicContact CG2-CD1 4.43Å; I484-F486 HydrophobicContact CG2-CD2 4.12Å; I484-F486 HydrophobicContact CG2-CE1 4.13Å; I484-F486 HydrophobicContact CG2-CE2 3.79Å; I484-F486 HydrophobicContact CG2-CG 4.43Å; I484-F486 HydrophobicContact CG2-CZ 3.8Å; I484-F486 VanDerWaalsContact O-CD2 3.27Å; I484-F486 WeakPolarHBondContact O-CD2 3.42Å; I484-F486 PolarHBondContact O-N 3.22Å
485S54.7Low55.3Low88 Ų8888.7 Ų88.762%0.61552%0.52SS*.  trans-66.2104164.547.90000108.9Q487S485-Q487 PolarHBondContact O-N 3.46Å
486F56.3Low52.7Low21 Ų2194.1 Ų94.19%0.09256%0.557CS.*  trans-77.255.3163.9-65.1-85.6000109.7Y146 R216 I484 D488Y146-F486 VanDerWaalsContact OH-CE2 3.29Å; Y146-F486 WeakPolarHBondContact OH-CE2 3.35Å; R216-F486 HydrophobicContact CG-CE1 4.45Å; R216-F486 HydrophobicContact CG-CZ 4.47Å; I484-F486 HydrophobicContact CB-CD2 4.27Å; I484-F486 HydrophobicContact CB-CE2 3.76Å; I484-F486 HydrophobicContact CB-CZ 4.12Å; I484-F486 HydrophobicContact CD1-CZ 4.32Å; I484-F486 HydrophobicContact CG2-CD1 4.43Å; I484-F486 HydrophobicContact CG2-CD2 4.12Å; I484-F486 HydrophobicContact CG2-CE1 4.13Å; I484-F486 HydrophobicContact CG2-CE2 3.79Å; I484-F486 HydrophobicContact CG2-CG 4.43Å; I484-F486 HydrophobicContact CG2-CZ 3.8Å; I484-F486 VanDerWaalsContact O-CD2 3.27Å; I484-F486 WeakPolarHBondContact O-CD2 3.42Å; I484-F486 PolarHBondContact O-N 3.22Å; F486-D488 PolarHBondContact O-N 3.08Å; F486-D488 VanDerWaalsContact O-N 3.15Å
487Q41.3Very low50.3Low161 Ų16191.2 Ų91.275%0.75257%0.571SS**  trans-68.9105.5158.9-92.7177.6-45.700106.7S485S485-Q487 PolarHBondContact O-N 3.46Å
488D40.3Very low47.9Very low89 Ų8994 Ų9448%0.47660%0.595SS.*  trans-66.9138.9175.6-76.1-39000110.2F486 S490F486-D488 PolarHBondContact O-N 3.08Å; F486-D488 VanDerWaalsContact O-N 3.15Å; D488-S490 PolarHBondContact O-N 3.17Å
489S34Very low45.9Very low129 Ų12997.8 Ų97.890%0.90264%0.635SS**THydrogen-bonded Turntrans-83.458.4-175.8-49.90000110.8
490S34.6Very low44.3Very low92 Ų9297.5 Ų97.564%0.64365%0.649SS**THydrogen-bonded Turntrans-100.5-26.4179.252.20000113.9D488D488-S490 PolarHBondContact O-N 3.17Å
491D32.7Very low42.6Very low148 Ų14897.3 Ų97.379%0.79167%0.668SS**  trans-103.988.3-177.9-70.5-43.8000112.4G493D491-G493 PolarHBondContact O-N 3.32Å
492E39.6Very low40.9Very low195 Ų195101.6 Ų101.691%0.91169%0.69SS**  trans-70.159.5157.7-83.7-84.3158.100110
493G33.1Very low39.6Very low63 Ų63103.5 Ų103.565%0.64971%0.705SS**  trans-10298.1-177.900000111.8D491 G495D491-G493 PolarHBondContact O-N 3.32Å; G493-G495 VanDerWaalsContact C-N 3.33Å; G493-G495 PolarHBondContact O-N 3.27Å
494S37.8Very low38.6Very low117 Ų117106 Ų10682%0.81871%0.713SS**  trans-6980.4-178.3-77.20000113.7S496S494-S496 PolarHBondContact O-N 3.08Å; S494-S496 VanDerWaalsContact O-N 3.08Å
495G32.3Very low37.5Very low76 Ų76108.5 Ų108.578%0.78474%0.743SS**  trans-78.871.717400000113.6G493 G497G493-G495 VanDerWaalsContact C-N 3.33Å; G493-G495 PolarHBondContact O-N 3.27Å; G495-G497 PolarHBondContact O-N 3.44Å
496S32.4Very low36.2Very low114 Ų114110.9 Ų110.980%0.79776%0.758SS**  trans-66.693.2174.1-75.40000112.1S494 S498S494-S496 PolarHBondContact O-N 3.08Å; S494-S496 VanDerWaalsContact O-N 3.08Å; S496-S498 PolarHBondContact O-N 3.46Å
497G33.3Very low35.1Very low79 Ų79116.3 Ų116.381%0.81479%0.793SS**  trans-67.6108.4173.400000112G495G495-G497 PolarHBondContact O-N 3.44Å
498S33.8Very low34.8Very low115 Ų115115 Ų11580%0.80480%0.797SS**  trans-131.8100.4168.4-74.40000109.3S496S496-S498 PolarHBondContact O-N 3.46Å
499G36.7Very low34.3Very low88 Ų88118.5 Ų118.591%0.90782%0.815SS**  trans-89.1120.2179.400000111.9
500S38.5Very low34.2Very low102 Ų102120 Ų12071%0.71381%0.81SS**  trans-143.3111.1162580000108.7C502S500-C502 PolarHBondContact O-N 3.03Å
501G34.3Very low33.8Very low84 Ų84126.8 Ų126.887%0.86682%0.823SS**  trans-72.7119.7178.400000111
502C31.2Very low33.5Very low124 Ų124125 Ų12584%0.83882%0.822SS**  trans-100.7107.5172.5-63.70000109.8S500S500-C502 PolarHBondContact O-N 3.03Å
503T36.4Very low32.9Very low127 Ų127120.6 Ų120.678%0.77982%0.819SS**  trans-113.2132.2166.549.10000109.3
504E37.1Very low32.6Very low195 Ų195122 Ų12291%0.91182%0.824SS**SBendtrans72.3131.8171.6-49.8-168.8145.500118.3
505G36.6Very low32.1Very low71 Ų71122.8 Ų122.873%0.73282%0.824SS**  trans96.325.4130.500000121.1T507G505-T507 PolarHBondContact O-N 3.25Å
506C28.4Very low31.9Very low139 Ų139127.9 Ų127.994%0.93983%0.828SS**  trans-73.284.5172-66.50000113.3
507T33Very low31.6Very low135 Ų135128.5 Ų128.583%0.82883%0.827SS**  trans-97.7137.615948.30000110.7G505G505-T507 PolarHBondContact O-N 3.25Å
508T34.2Very low31.9Very low134 Ų134130 Ų13082%0.82282%0.822SS**  trans-69.6140.4179.348.90000112.8
509D30.3Very low31.5Very low161 Ų161130.5 Ų130.586%0.86182%0.82SS**  trans-156.5156.5137.1-118.7-33.9000112.4
510M31.6Very low31.2Very low161 Ų161133 Ų13379%0.79382%0.818SS**  trans-14599.1-173.4-178.2-164.974.400111.5
511Y27.7Very low30.6Very low234 Ų234139.9 Ų139.992%0.91883%0.828SS**  trans-146.7167.4170.6-99-74.8000113.1
512S25.9Very low30.2Very low111 Ų111140.9 Ų140.978%0.77683%0.828SS**  trans-123.9163.6-154-51.60000115.4
513A27.1Very low30Very low103 Ų103142.2 Ų142.285%0.85183%0.827SS**  trans92.9166144.700000120.8
514A26.8Very low30Very low92 Ų92146.1 Ų146.176%0.7683%0.827SS**  trans83.685168.800000120
515T26.9Very low29.8Very low133 Ų133142.5 Ų142.582%0.81682%0.824SS**  35121.8115.8-38.50000120.8
516E28.1Very low29.3Very low184 Ų184142.6 Ų142.686%0.8682%0.824SS**  -169.4170.6114.7-106.4179.1-167.100113.8
517T25.1Very low30.3Very low126 Ų126141.4 Ų141.477%0.77382%0.815SS**  trans-144.5-170.8-176.363.60000107.6
518P39.9Very low30.1Very low110 Ų110142.4 Ų142.471%0.71481%0.812SS**  cis-144.6-157.65.226.82.7000115.2
519V26.6Very low29.9Very low127 Ų127143.4 Ų143.477%0.7781%0.808SS**  trans81.9119.1154.8-172.40000119.3
520V29.4Very low29.7Very low140 Ų140142.1 Ų142.185%0.84880%0.801SS**  -159121.5112.8161.90000109.3
521R25.7Very low29.5Very low247 Ų247139.5 Ų139.593%0.93280%0.798SS**  trans-167.7119.1151-147.8-176.8-155.41283.6111.5
522A26.9Very low29.6Very low105 Ų105132.7 Ų132.787%0.86879%0.79SS**  trans-159168.9165.800000109.5
523D26.8Very low30.2Very low151 Ų151133.5 Ų133.581%0.80779%0.793SS**  trans-138.4176.5-161.1-168.711.2000112.1
524R35.7Very low30.4Very low209 Ų209136.9 Ų136.979%0.78979%0.791SS**  trans104.2119.3144.1-93.6179.7179.4178.9-1.7124.3
525S32.9Very low30.6Very low120 Ų120142.1 Ų142.184%0.83980%0.799SS**  trans60.7150.7134.4600000120.9
526G26.4Very low31.1Very low72 Ų72139.9 Ų139.974%0.74279%0.794SS**  cis-177.2-155.72.400000108.5
527P48.5Very low31.5Very low115 Ų115137.1 Ų137.175%0.74779%0.792SS**  cis-133-175.2-7.243.7-26.3000115.2
528M30.3Very low32.1Very low156 Ų156136.2 Ų136.277%0.76879%0.791SS**  trans27.1142.5145.8-77.8158.3152.500121.7
529E28.5Very low32.3Very low155 Ų155138 Ų13872%0.72479%0.793SS**  cis-167.8-175.25.5-131.5155.9-157.800108.3
530D26.3Very low33.3Very low134 Ų134134.6 Ų134.672%0.71778%0.778SS**  cis-158.2177.44.3177.640.3000110.2
531S28.2Very low34Very low106 Ų106134.6 Ų134.674%0.74177%0.773SS**  trans90.5149.6154.878.80000119.8
532A30.1Very low35Very low91 Ų91126.6 Ų126.675%0.75275%0.753SS**  trans-136.8176.3-171.700000110.3
533P38.6Very low36Very low127 Ų127125.5 Ų125.583%0.82574%0.736SS**  -145.4-171.157.240.3-18.7000116.3
534H30.3Very low37.1Very low175 Ų175124.3 Ų124.381%0.8173%0.726SS**  trans-75.7154-172.3-55-90.2000116.6
535H31.7Very low37.8Very low201 Ų201120.4 Ų120.493%0.93172%0.721SS**  trans-131.7151.5141.7-89.1-54.2000110.5
536A37Very low38.8Very low86 Ų86117.3 Ų117.371%0.71170%0.703SS**  trans-121.7150.4-173.900000112.2
537P37Very low39.9Very low126 Ų126119.2 Ų119.282%0.81870%0.695SS**  trans-77146.2176.931.7-34.5000112.6
538S37.6Very low40.1Very low108 Ų108118.7 Ų118.776%0.75569%0.685SS**  trans-82.3137.2-165.9-49.40000115.5A540S538-A540 PolarHBondContact O-N 3.34Å
539I44.5Very low41.4Very low146 Ų146114.1 Ų114.175%0.74967%0.673SS**  trans-82.646.6175.6-44.4178000110.8P542I539-P542 HydrophobicContact CG2-CG 4.04Å
540A46.7Very low42.4Very low57 Ų57112.6 Ų112.647%0.47167%0.669SS.*  trans-93.6-21.1-165.400000115.6S538S538-A540 PolarHBondContact O-N 3.34Å
541L44.5Very low43.8Very low139 Ų139110.3 Ų110.373%0.72866%0.66SS**SBendtrans-85.7-38.7-177.7-83.179.3000116.4T543L541-T543 VanDerWaalsContact C-N 3.32Å; L541-T543 PolarHBondContact O-N 3.15Å
542P47Very low44.9Very low80 Ų80110.9 Ų110.952%0.51965%0.654SS.*Hα-helixtrans-72.4-25.3-170.928.1-34.1000113.4I539I539-P542 HydrophobicContact CG2-CG 4.04Å
543T47.9Very low45.8Very low82 Ų82113.2 Ų113.250%0.50365%0.649SS.*Hα-helixtrans-74.7-32.6-178.346.40000113.3L541L541-T543 VanDerWaalsContact C-N 3.32Å; L541-T543 PolarHBondContact O-N 3.15Å
544M49.8Very low46.4Very low125 Ų125117.7 Ų117.762%0.61665%0.649SS**Hα-helixtrans-69.9-34.3179.5-71.4-65.2-71.800112.9L548M544-L548 PolarHBondContact O-N 3.38Å
545L49.7Very low47.3Very low127 Ų127117 Ų11767%0.66565%0.646SS**Hα-helixtrans-69.4-36.8177.7-78.6162.3000112.5L547 L548 A549L545-L547 VanDerWaalsContact C-N 3.33Å; L545-L547 PolarHBondContact O-N 3.33Å; L545-L548 PolarHBondContact O-N 3.42Å; L545-A549 PolarHBondContact O-N 3.44Å
546A53.3Low48.1Very low56 Ų56118.9 Ų118.946%0.46365%0.646SS.*Hα-helixtrans-64.1-36.2178.200000112.9L550A546-L550 PolarHBondContact O-N 3.36Å
547L51.2Low48.6Very low111 Ų111128.6 Ų128.658%0.58166%0.664SS**Hα-helixtrans-71.9-35.7179.5-74.5165000112.7L545 L550 T551L545-L547 VanDerWaalsContact C-N 3.33Å; L545-L547 PolarHBondContact O-N 3.33Å; L547-L550 PolarHBondContact O-N 2.95Å; L547-T551 PolarHBondContact O-N 3.32Å; L547-T551 VanDerWaalsContact O-N 3.15Å; L547-T551 PolarHBondContact O-OG1 2.88Å
548L52.9Low49.1Very low104 Ų104128.7 Ų128.755%0.54566%0.656SS.*Hα-helixtrans-67-37176.5-75.9165.8000112.7M544 L545 L550 T551 L552M544-L548 PolarHBondContact O-N 3.38Å; L545-L548 PolarHBondContact O-N 3.42Å; L548-L550 VanDerWaalsContact C-N 3.34Å; L548-T551 WeakPolarHBondContact CA-OG1 3.3Å; L548-T551 PolarHBondContact O-N 3.47Å; L548-T551 PolarHBondContact O-OG1 3.33Å; L548-L552 PolarHBondContact O-N 2.88Å; L548-L552 VanDerWaalsContact O-N 3.13Å
549A55.7Low49.7Very low61 Ų61129.8 Ų129.850%0.50465%0.651SS.*Hα-helixtrans-62.8-40.817400000112L545 H553L545-A549 PolarHBondContact O-N 3.44Å; A549-H553 WeakPolarHBondContact O-CB 3.4Å; A549-H553 PolarHBondContact O-N 3Å; A549-H553 VanDerWaalsContact O-N 3.11Å
550L51.5Low50Low123 Ų123128.9 Ų128.964%0.64465%0.645SS**Hα-helixtrans-71-28.3179.4-75.6166.9000113.7A546 L547 L548A546-L550 PolarHBondContact O-N 3.36Å; L547-L550 PolarHBondContact O-N 2.95Å; L548-L550 VanDerWaalsContact C-N 3.34Å
551T54.8Low50.2Low85 Ų85133.1 Ų133.152%0.52166%0.656SS.*Hα-helixtrans-75.9-42.6172.7460000112.4L547 L548 H553 R554L547-T551 PolarHBondContact O-N 3.32Å; L547-T551 VanDerWaalsContact O-N 3.15Å; L547-T551 PolarHBondContact O-OG1 2.88Å; L548-T551 WeakPolarHBondContact CA-OG1 3.3Å; L548-T551 PolarHBondContact O-N 3.47Å; L548-T551 PolarHBondContact O-OG1 3.33Å; T551-H553 PolarHBondContact O-N 3.33Å; T551-R554 PolarHBondContact O-N 3.24Å; T551-R554 VanDerWaalsContact O-N 3.15Å
552L50.3Low50.6Low119 Ų119132.8 Ų132.862%0.62365%0.651SS**Hα-helixtrans-65.3-40179.4-76.7166.5000112.2L548 R554 Q555L548-L552 PolarHBondContact O-N 2.88Å; L548-L552 VanDerWaalsContact O-N 3.13Å; L552-R554 PolarHBondContact O-N 3.16Å; L552-Q555 PolarHBondContact O-N 2.98Å
553H48.8Very low50.8Low139 Ų139136.3 Ų136.364%0.64466%0.66SS**THydrogen-bonded Turntrans-66.3-9176.9-162.460000113.8A549 T551A549-H553 WeakPolarHBondContact O-CB 3.4Å; A549-H553 PolarHBondContact O-N 3Å; A549-H553 VanDerWaalsContact O-N 3.11Å; T551-H553 PolarHBondContact O-N 3.33Å
554R51.2Low51Low221 Ų221140.1 Ų140.183%0.83467%0.671SS**THydrogen-bonded Turntrans-101.62.6179.4-131.9177.2-174.7-174.21114.6T551 L552T551-R554 PolarHBondContact O-N 3.24Å; T551-R554 VanDerWaalsContact O-N 3.15Å; L552-R554 PolarHBondContact O-N 3.16Å
555Q50.1Low51.1Low160 Ų160141.3 Ų141.375%0.74868%0.675SS**SBendtrans-109.97.4172.6-74.1-171.4-65.400113.8L552L552-Q555 PolarHBondContact O-N 2.98Å
556W47.9Very low51.3Low242 Ų242142.5 Ų142.592%0.91768%0.676SS**  trans-127.940.2-179.7-101.863.2000112.4
557R47.4Very low51.1Low289 Ų289150.4 Ų150.4100%1.09170%0.696SS**  trans-142.50166.2-85.3-165.3178.6-161.31.4109.6

Retrieved 557 of 557 residues in 647.2 ms (Link to these results)

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